NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1133 | 1a7m | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 2H SER 1 9.031 -26.091 -26.091 2 2H SER 1 1H SER 1 7.677 -26.947 -26.947 3 3H SER 1 3H SER 1 8.717 -26.117 -26.117 4 HA SER 1 HA SER 1 7.429 -24.344 -24.344 5 1HB SER 1 2HB SER 1 5.959 -25.747 -25.747 6 2HB SER 1 1HB SER 1 5.255 -24.694 -24.694 7 HG SER 1 HG SER 1 4.993 -26.574 -26.574 8 HA PRO 2 HA PRO 2 8.764 -22.431 -22.431 9 1HB PRO 2 2HB PRO 2 7.037 -20.342 -20.342 10 2HB PRO 2 1HB PRO 2 8.248 -20.293 -20.293 11 1HG PRO 2 2HG PRO 2 5.326 -21.218 -21.218 12 2HG PRO 2 1HG PRO 2 6.148 -20.000 -20.000 13 1HD PRO 2 2HD PRO 2 5.957 -22.568 -22.568 14 2HD PRO 2 1HD PRO 2 7.440 -21.634 -21.634 15 H LEU 3 H LEU 3 6.930 -21.532 -21.532 16 HA LEU 3 HA LEU 3 5.797 -24.117 -24.117 17 1HB LEU 3 2HB LEU 3 5.153 -22.709 -22.709 18 2HB LEU 3 1HB LEU 3 6.831 -23.120 -23.120 19 HG LEU 3 HG LEU 3 5.795 -20.457 -20.457 20 1HD1 LEU 3 3HD1 LEU 3 6.656 -21.005 -21.005 21 2HD1 LEU 3 2HD1 LEU 3 6.321 -19.422 -19.422 22 3HD1 LEU 3 1HD1 LEU 3 5.029 -20.587 -20.587 23 1HD2 LEU 3 3HD2 LEU 3 8.257 -21.247 -21.247 24 2HD2 LEU 3 2HD2 LEU 3 8.149 -19.768 -19.768 25 3HD2 LEU 3 1HD2 LEU 3 8.460 -21.292 -21.292 26 HA PRO 4 HA PRO 4 1.938 -22.698 -22.698 27 1HB PRO 4 2HB PRO 4 0.438 -24.906 -24.906 28 2HB PRO 4 1HB PRO 4 1.854 -24.951 -24.951 29 1HG PRO 4 2HG PRO 4 1.693 -25.766 -25.766 30 2HG PRO 4 1HG PRO 4 2.301 -26.734 -26.734 31 1HD PRO 4 2HD PRO 4 4.011 -25.257 -25.257 32 2HD PRO 4 1HD PRO 4 4.312 -25.445 -25.445 33 H ILE 5 H ILE 5 1.403 -21.008 -21.008 34 HA ILE 5 HA ILE 5 -0.129 -21.707 -21.707 35 HB ILE 5 HB ILE 5 0.295 -19.218 -19.218 36 1HG1 ILE 5 2HG1 ILE 5 2.384 -19.486 -19.486 37 2HG1 ILE 5 1HG1 ILE 5 0.872 -18.640 -18.640 38 1HG2 ILE 5 1HG2 ILE 5 1.594 -21.109 -21.109 39 2HG2 ILE 5 3HG2 ILE 5 2.690 -21.085 -21.085 40 3HG2 ILE 5 2HG2 ILE 5 2.638 -19.728 -19.728 41 1HD1 ILE 5 2HD1 ILE 5 1.491 -17.112 -17.112 42 2HD1 ILE 5 1HD1 ILE 5 3.019 -17.961 -17.961 43 3HD1 ILE 5 3HD1 ILE 5 2.676 -17.064 -17.064 44 H THR 6 H THR 6 -2.159 -21.116 -21.116 45 HA THR 6 HA THR 6 -3.673 -19.835 -19.835 46 HB THR 6 HB THR 6 -5.574 -21.207 -21.207 47 HG1 THR 6 HG1 THR 6 -3.738 -23.135 -23.135 48 1HG2 THR 6 1HG2 THR 6 -3.512 -22.527 -22.527 49 2HG2 THR 6 3HG2 THR 6 -5.144 -23.117 -23.117 50 3HG2 THR 6 2HG2 THR 6 -4.902 -21.630 -21.630 51 HA PRO 7 HA PRO 7 -5.620 -17.575 -17.575 52 1HB PRO 7 2HB PRO 7 -4.751 -17.925 -17.925 53 2HB PRO 7 1HB PRO 7 -5.919 -19.059 -19.059 54 1HG PRO 7 2HG PRO 7 -2.870 -19.310 -19.310 55 2HG PRO 7 1HG PRO 7 -4.086 -20.513 -20.513 56 1HD PRO 7 2HD PRO 7 -2.801 -20.561 -20.561 57 2HD PRO 7 1HD PRO 7 -4.490 -21.084 -21.084 58 H VAL 8 H VAL 8 -3.936 -16.531 -16.531 59 HA VAL 8 HA VAL 8 -2.242 -14.739 -14.739 60 HB VAL 8 HB VAL 8 -0.739 -16.536 -16.536 61 1HG1 VAL 8 3HG1 VAL 8 -1.718 -15.887 -15.887 62 2HG1 VAL 8 2HG1 VAL 8 -0.403 -16.963 -16.963 63 3HG1 VAL 8 1HG1 VAL 8 -2.033 -17.360 -17.360 64 1HG2 VAL 8 2HG2 VAL 8 0.177 -14.225 -14.225 65 2HG2 VAL 8 1HG2 VAL 8 0.891 -15.093 -15.093 66 3HG2 VAL 8 3HG2 VAL 8 -0.381 -13.934 -13.934 67 H ASN 9 H ASN 9 -4.274 -13.698 -13.698 68 HA ASN 9 HA ASN 9 -4.505 -12.549 -12.549 69 1HB ASN 9 2HB ASN 9 -6.491 -13.480 -13.480 70 2HB ASN 9 1HB ASN 9 -6.395 -12.077 -12.077 71 1HD2 ASN 9 2HD2 ASN 9 -7.124 -10.337 -10.337 72 2HD2 ASN 9 1HD2 ASN 9 -5.559 -10.615 -10.615 73 H ALA 10 H ALA 10 -3.191 -11.891 -11.891 74 HA ALA 10 HA ALA 10 -2.529 -9.126 -9.126 75 1HB ALA 10 3HB ALA 10 -3.700 -9.729 -9.729 76 2HB ALA 10 2HB ALA 10 -3.098 -8.181 -8.181 77 3HB ALA 10 1HB ALA 10 -4.528 -8.840 -8.840 78 H THR 11 H THR 11 -1.839 -10.686 -10.686 79 HA THR 11 HA THR 11 0.948 -10.980 -10.980 80 HB THR 11 HB THR 11 1.218 -10.049 -10.049 81 HG1 THR 11 HG1 THR 11 -0.753 -8.861 -8.861 82 1HG2 THR 11 3HG2 THR 11 1.633 -8.541 -8.541 83 2HG2 THR 11 2HG2 THR 11 2.361 -8.125 -8.125 84 3HG2 THR 11 1HG2 THR 11 2.831 -9.590 -9.590 85 H CYS 12 H CYS 12 -1.439 -12.213 -12.213 86 HA CYS 12 HA CYS 12 -0.516 -13.735 -13.735 87 1HB CYS 12 2HB CYS 12 -2.733 -13.932 -13.932 88 2HB CYS 12 1HB CYS 12 -1.992 -15.447 -15.447 89 H ALA 13 H ALA 13 0.639 -14.264 -14.264 90 HA ALA 13 HA ALA 13 1.829 -16.897 -16.897 91 1HB ALA 13 2HB ALA 13 2.022 -15.564 -15.564 92 2HB ALA 13 1HB ALA 13 2.631 -17.154 -17.154 93 3HB ALA 13 3HB ALA 13 0.897 -16.860 -16.860 94 H ILE 14 H ILE 14 2.795 -13.741 -13.741 95 HA ILE 14 HA ILE 14 5.543 -14.314 -14.314 96 HB ILE 14 HB ILE 14 6.258 -12.605 -12.605 97 1HG1 ILE 14 2HG1 ILE 14 4.922 -12.319 -12.319 98 2HG1 ILE 14 1HG1 ILE 14 3.730 -13.489 -13.489 99 1HG2 ILE 14 2HG2 ILE 14 6.782 -15.015 -15.015 100 2HG2 ILE 14 1HG2 ILE 14 5.214 -15.357 -15.357 101 3HG2 ILE 14 3HG2 ILE 14 6.403 -14.425 -14.425 102 1HD1 ILE 14 1HD1 ILE 14 4.218 -10.872 -10.872 103 2HD1 ILE 14 3HD1 ILE 14 2.962 -11.110 -11.110 104 3HD1 ILE 14 2HD1 ILE 14 2.935 -11.983 -11.983 105 H ARG 15 H ARG 15 3.242 -13.330 -13.330 106 HA ARG 15 HA ARG 15 3.638 -10.416 -10.416 107 1HB ARG 15 2HB ARG 15 1.306 -11.685 -11.685 108 2HB ARG 15 1HB ARG 15 2.070 -12.159 -12.159 109 1HG ARG 15 2HG ARG 15 2.250 -10.042 -10.042 110 2HG ARG 15 1HG ARG 15 2.282 -9.214 -9.214 111 1HD ARG 15 2HD ARG 15 -0.263 -9.727 -9.727 112 2HD ARG 15 1HD ARG 15 -0.125 -10.450 -10.450 113 HE ARG 15 HE ARG 15 0.146 -8.343 -8.343 114 1HH1 ARG 15 2HH1 ARG 15 0.137 -8.113 -8.113 115 2HH1 ARG 15 1HH1 ARG 15 -0.002 -6.419 -6.419 116 1HH2 ARG 15 1HH2 ARG 15 -0.158 -6.119 -6.119 117 2HH2 ARG 15 2HH2 ARG 15 -0.237 -5.298 -5.298 118 H HIS 16 H HIS 16 3.781 -13.143 -13.143 119 HA HIS 16 HA HIS 16 6.322 -12.050 -12.050 120 1HB HIS 16 2HB HIS 16 3.744 -11.932 -11.932 121 2HB HIS 16 1HB HIS 16 4.913 -12.814 -12.814 122 HD1 HIS 16 HD1 HIS 16 5.229 -9.767 -9.767 123 HD2 HIS 16 HD2 HIS 16 6.304 -11.039 -11.039 124 HE1 HIS 16 HE1 HIS 16 6.490 -7.904 -7.904 125 HA PRO 17 HA PRO 17 7.016 -16.349 -16.349 126 1HB PRO 17 2HB PRO 17 9.383 -16.149 -16.149 127 2HB PRO 17 1HB PRO 17 9.209 -15.672 -15.672 128 1HG PRO 17 2HG PRO 17 9.442 -13.899 -13.899 129 2HG PRO 17 1HG PRO 17 10.006 -13.575 -13.575 130 1HD PRO 17 2HD PRO 17 7.449 -12.748 -12.748 131 2HD PRO 17 1HD PRO 17 8.038 -12.409 -12.409 132 H CYS 18 H CYS 18 5.540 -14.407 -14.407 133 HA CYS 18 HA CYS 18 4.744 -14.222 -14.222 134 1HB CYS 18 2HB CYS 18 4.916 -17.236 -17.236 135 2HB CYS 18 1HB CYS 18 3.873 -16.450 -16.450 136 H HIS 19 H HIS 19 4.879 -15.849 -15.849 137 HA HIS 19 HA HIS 19 7.676 -16.130 -16.130 138 1HB HIS 19 2HB HIS 19 5.634 -14.613 -14.613 139 2HB HIS 19 1HB HIS 19 7.347 -14.777 -14.777 140 HD1 HIS 19 HD1 HIS 19 5.082 -12.738 -12.738 141 HD2 HIS 19 HD2 HIS 19 9.100 -13.224 -13.224 142 HE1 HIS 19 HE1 HIS 19 6.166 -10.857 -10.857 143 H GLY 20 H GLY 20 7.384 -17.033 -17.033 144 1HA GLY 20 2HA GLY 20 6.667 -19.593 -19.593 145 2HA GLY 20 1HA GLY 20 6.287 -18.540 -18.540 146 H ASN 21 H ASN 21 4.222 -17.400 -17.400 147 HA ASN 21 HA ASN 21 2.074 -18.756 -18.756 148 1HB ASN 21 2HB ASN 21 0.811 -19.051 -19.051 149 2HB ASN 21 1HB ASN 21 2.313 -19.940 -19.940 150 1HD2 ASN 21 2HD2 ASN 21 1.762 -17.560 -17.560 151 2HD2 ASN 21 1HD2 ASN 21 0.521 -18.251 -18.251 152 H LEU 22 H LEU 22 0.831 -16.918 -16.918 153 HA LEU 22 HA LEU 22 1.306 -14.246 -14.246 154 1HB LEU 22 2HB LEU 22 -1.140 -13.915 -13.915 155 2HB LEU 22 1HB LEU 22 -0.009 -14.688 -14.688 156 HG LEU 22 HG LEU 22 -1.462 -16.698 -16.698 157 1HD1 LEU 22 2HD1 LEU 22 -3.069 -14.996 -14.996 158 2HD1 LEU 22 1HD1 LEU 22 -3.642 -16.447 -16.447 159 3HD1 LEU 22 3HD1 LEU 22 -3.303 -14.998 -14.998 160 1HD2 LEU 22 1HD2 LEU 22 -1.086 -16.326 -16.326 161 2HD2 LEU 22 3HD2 LEU 22 -0.099 -17.315 -17.315 162 3HD2 LEU 22 2HD2 LEU 22 -1.776 -17.745 -17.745 163 H MET 23 H MET 23 -1.286 -16.083 -16.083 164 HA MET 23 HA MET 23 -2.895 -14.747 -14.747 165 1HB MET 23 2HB MET 23 -1.208 -17.038 -17.038 166 2HB MET 23 1HB MET 23 -2.666 -16.464 -16.464 167 1HG MET 23 2HG MET 23 -4.045 -17.185 -17.185 168 2HG MET 23 1HG MET 23 -2.740 -17.303 -17.303 169 1HE MET 23 1HE MET 23 -3.866 -18.710 -18.710 170 2HE MET 23 3HE MET 23 -5.098 -19.249 -19.249 171 3HE MET 23 2HE MET 23 -4.029 -20.409 -20.409 172 H ASN 24 H ASN 24 0.069 -15.506 -15.506 173 HA ASN 24 HA ASN 24 -0.482 -13.170 -13.170 174 1HB ASN 24 2HB ASN 24 1.196 -14.282 -14.282 175 2HB ASN 24 1HB ASN 24 -0.143 -15.350 -15.350 176 1HD2 ASN 24 2HD2 ASN 24 3.469 -16.690 -16.690 177 2HD2 ASN 24 1HD2 ASN 24 3.116 -15.499 -15.499 178 H GLN 25 H GLN 25 0.951 -13.422 -13.422 179 HA GLN 25 HA GLN 25 3.555 -12.183 -12.183 180 1HB GLN 25 2HB GLN 25 3.298 -13.865 -13.865 181 2HB GLN 25 1HB GLN 25 2.268 -12.730 -12.730 182 1HG GLN 25 2HG GLN 25 4.507 -12.614 -12.614 183 2HG GLN 25 1HG GLN 25 4.170 -11.093 -11.093 184 1HE2 GLN 25 2HE2 GLN 25 7.008 -11.484 -11.484 185 2HE2 GLN 25 1HE2 GLN 25 5.920 -10.420 -10.420 186 H ILE 26 H ILE 26 0.966 -11.277 -11.277 187 HA ILE 26 HA ILE 26 1.567 -8.497 -8.497 188 HB ILE 26 HB ILE 26 -0.694 -8.027 -8.027 189 1HG1 ILE 26 2HG1 ILE 26 -1.099 -11.043 -11.043 190 2HG1 ILE 26 1HG1 ILE 26 -1.910 -9.988 -9.988 191 1HG2 ILE 26 3HG2 ILE 26 1.261 -8.671 -8.671 192 2HG2 ILE 26 2HG2 ILE 26 0.725 -10.349 -10.349 193 3HG2 ILE 26 1HG2 ILE 26 -0.253 -9.140 -9.140 194 1HD1 ILE 26 2HD1 ILE 26 -2.052 -9.728 -9.728 195 2HD1 ILE 26 1HD1 ILE 26 -3.220 -10.398 -10.398 196 3HD1 ILE 26 3HD1 ILE 26 -2.882 -8.683 -8.683 197 H LYS 27 H LYS 27 -0.230 -10.606 -10.606 198 HA LYS 27 HA LYS 27 -1.843 -8.685 -8.685 199 1HB LYS 27 2HB LYS 27 -1.973 -11.256 -11.256 200 2HB LYS 27 1HB LYS 27 -0.517 -11.144 -11.144 201 1HG LYS 27 2HG LYS 27 -1.687 -9.437 -9.437 202 2HG LYS 27 1HG LYS 27 -3.156 -9.758 -9.758 203 1HD LYS 27 2HD LYS 27 -1.506 -11.766 -11.766 204 2HD LYS 27 1HD LYS 27 -2.985 -11.016 -11.016 205 1HE LYS 27 2HE LYS 27 -2.688 -13.011 -13.011 206 2HE LYS 27 1HE LYS 27 -3.473 -13.290 -13.290 207 1HZ LYS 27 2HZ LYS 27 -4.625 -11.016 -11.016 208 2HZ LYS 27 1HZ LYS 27 -4.539 -12.258 -12.258 209 3HZ LYS 27 3HZ LYS 27 -5.401 -12.474 -12.474 210 H ASN 28 H ASN 28 1.269 -10.142 -10.142 211 HA ASN 28 HA ASN 28 1.870 -8.369 -8.369 212 1HB ASN 28 2HB ASN 28 2.947 -10.676 -10.676 213 2HB ASN 28 1HB ASN 28 3.936 -9.816 -9.816 214 1HD2 ASN 28 2HD2 ASN 28 4.925 -9.553 -9.553 215 2HD2 ASN 28 1HD2 ASN 28 3.782 -10.683 -10.683 216 H GLN 29 H GLN 29 2.971 -8.428 -8.428 217 HA GLN 29 HA GLN 29 4.614 -6.179 -6.179 218 1HB GLN 29 2HB GLN 29 2.568 -6.775 -6.775 219 2HB GLN 29 1HB GLN 29 3.889 -5.667 -5.667 220 1HG GLN 29 2HG GLN 29 5.474 -7.703 -7.703 221 2HG GLN 29 1HG GLN 29 4.050 -8.728 -8.728 222 1HE2 GLN 29 2HE2 GLN 29 4.819 -6.176 -6.176 223 2HE2 GLN 29 1HE2 GLN 29 4.905 -5.635 -5.635 224 H LEU 30 H LEU 30 1.165 -6.234 -6.234 225 HA LEU 30 HA LEU 30 0.656 -3.507 -3.507 226 1HB LEU 30 2HB LEU 30 -0.731 -5.561 -5.561 227 2HB LEU 30 1HB LEU 30 -1.240 -5.598 -5.598 228 HG LEU 30 HG LEU 30 -2.952 -4.473 -4.473 229 1HD1 LEU 30 3HD1 LEU 30 -2.143 -2.809 -2.809 230 2HD1 LEU 30 2HD1 LEU 30 -1.088 -2.112 -2.112 231 3HD1 LEU 30 1HD1 LEU 30 -2.824 -2.145 -2.145 232 1HD2 LEU 30 1HD2 LEU 30 -1.886 -4.525 -4.525 233 2HD2 LEU 30 3HD2 LEU 30 -2.614 -2.965 -2.965 234 3HD2 LEU 30 2HD2 LEU 30 -0.881 -3.159 -3.159 235 H ALA 31 H ALA 31 0.373 -5.460 -5.460 236 HA ALA 31 HA ALA 31 -0.479 -3.529 -3.529 237 1HB ALA 31 3HB ALA 31 1.630 -5.635 -5.635 238 2HB ALA 31 2HB ALA 31 0.707 -4.807 -4.807 239 3HB ALA 31 1HB ALA 31 -0.123 -5.866 -5.866 240 H GLN 32 H GLN 32 2.793 -4.240 -4.240 241 HA GLN 32 HA GLN 32 4.272 -2.424 -2.424 242 1HB GLN 32 2HB GLN 32 4.625 -3.875 -3.875 243 2HB GLN 32 1HB GLN 32 5.439 -2.332 -2.332 244 1HG GLN 32 2HG GLN 32 5.836 -4.231 -4.231 245 2HG GLN 32 1HG GLN 32 6.782 -4.370 -4.370 246 1HE2 GLN 32 2HE2 GLN 32 7.920 -1.609 -1.609 247 2HE2 GLN 32 1HE2 GLN 32 6.863 -2.874 -2.874 248 H LEU 33 H LEU 33 2.243 -1.852 -1.852 249 HA LEU 33 HA LEU 33 2.932 1.033 1.033 250 1HB LEU 33 2HB LEU 33 0.906 -0.586 -0.586 251 2HB LEU 33 1HB LEU 33 1.184 1.118 1.118 252 HG LEU 33 HG LEU 33 3.680 0.468 0.468 253 1HD1 LEU 33 2HD1 LEU 33 2.316 -2.208 -2.208 254 2HD1 LEU 33 1HD1 LEU 33 3.943 -1.902 -1.902 255 3HD1 LEU 33 3HD1 LEU 33 3.553 -1.850 -1.850 256 1HD2 LEU 33 3HD2 LEU 33 1.527 -0.311 -0.311 257 2HD2 LEU 33 2HD2 LEU 33 2.163 1.295 1.295 258 3HD2 LEU 33 1HD2 LEU 33 3.206 0.040 0.040 259 H ASN 34 H ASN 34 0.051 -1.000 -1.000 260 HA ASN 34 HA ASN 34 -1.912 0.884 0.884 261 1HB ASN 34 2HB ASN 34 -2.105 -1.623 -1.623 262 2HB ASN 34 1HB ASN 34 -1.230 -1.452 -1.452 263 1HD2 ASN 34 2HD2 ASN 34 -4.688 0.593 0.593 264 2HD2 ASN 34 1HD2 ASN 34 -3.653 0.987 0.987 265 H GLY 35 H GLY 35 0.307 -0.280 -0.280 266 1HA GLY 35 2HA GLY 35 -0.095 1.455 1.455 267 2HA GLY 35 1HA GLY 35 1.526 0.887 0.887 268 H SER 36 H SER 36 1.810 2.080 2.080 269 HA SER 36 HA SER 36 2.230 4.878 4.878 270 1HB SER 36 2HB SER 36 3.374 3.042 3.042 271 2HB SER 36 1HB SER 36 3.530 4.774 4.774 272 HG SER 36 HG SER 36 4.680 3.180 3.180 273 H ALA 37 H ALA 37 -0.038 3.253 3.253 274 HA ALA 37 HA ALA 37 -0.734 5.225 5.225 275 1HB ALA 37 3HB ALA 37 -1.790 2.843 2.843 276 2HB ALA 37 2HB ALA 37 -2.637 3.478 3.478 277 3HB ALA 37 1HB ALA 37 -2.927 4.153 4.153 278 H ASN 38 H ASN 38 -1.033 4.712 4.712 279 HA ASN 38 HA ASN 38 -2.524 7.234 7.234 280 1HB ASN 38 2HB ASN 38 -3.025 5.047 5.047 281 2HB ASN 38 1HB ASN 38 -1.490 5.236 5.236 282 1HD2 ASN 38 2HD2 ASN 38 -3.079 8.496 8.496 283 2HD2 ASN 38 1HD2 ASN 38 -1.925 8.374 8.374 284 H ALA 39 H ALA 39 0.582 5.695 5.695 285 HA ALA 39 HA ALA 39 1.637 8.164 8.164 286 1HB ALA 39 3HB ALA 39 2.539 5.786 5.786 287 2HB ALA 39 2HB ALA 39 3.361 5.792 5.792 288 3HB ALA 39 1HB ALA 39 3.788 6.968 6.968 289 H LEU 40 H LEU 40 2.613 6.568 6.568 290 HA LEU 40 HA LEU 40 4.224 8.695 8.695 291 1HB LEU 40 2HB LEU 40 4.222 6.603 6.603 292 2HB LEU 40 1HB LEU 40 2.510 6.706 6.706 293 HG LEU 40 HG LEU 40 4.318 7.426 7.426 294 1HD1 LEU 40 3HD1 LEU 40 1.603 8.717 8.717 295 2HD1 LEU 40 2HD1 LEU 40 2.430 8.864 8.864 296 3HD1 LEU 40 1HD1 LEU 40 1.998 7.280 7.280 297 1HD2 LEU 40 3HD2 LEU 40 5.237 9.451 9.451 298 2HD2 LEU 40 2HD2 LEU 40 4.385 9.827 9.827 299 3HD2 LEU 40 1HD2 LEU 40 3.602 10.055 10.055 300 H PHE 41 H PHE 41 0.711 8.052 8.052 301 HA PHE 41 HA PHE 41 -0.066 10.305 10.305 302 1HB PHE 41 2HB PHE 41 -1.763 8.900 8.900 303 2HB PHE 41 1HB PHE 41 -1.374 9.407 9.407 304 HD1 PHE 41 HD1 PHE 41 -1.661 11.717 11.717 305 HD2 PHE 41 HD2 PHE 41 -3.455 10.283 10.283 306 HE1 PHE 41 HE1 PHE 41 -3.449 13.394 13.394 307 HE2 PHE 41 HE2 PHE 41 -5.234 11.988 11.988 308 HZ PHE 41 HZ PHE 41 -5.194 13.535 13.535 309 H ILE 42 H ILE 42 0.300 10.422 10.422 310 HA ILE 42 HA ILE 42 0.076 13.277 13.277 311 HB ILE 42 HB ILE 42 0.963 11.026 11.026 312 1HG1 ILE 42 2HG1 ILE 42 -0.839 12.020 12.020 313 2HG1 ILE 42 1HG1 ILE 42 -1.081 13.282 13.282 314 1HG2 ILE 42 2HG2 ILE 42 1.216 13.979 13.979 315 2HG2 ILE 42 1HG2 ILE 42 1.433 12.645 12.645 316 3HG2 ILE 42 3HG2 ILE 42 2.570 12.876 12.876 317 1HD1 ILE 42 1HD1 ILE 42 -1.685 11.455 11.455 318 2HD1 ILE 42 3HD1 ILE 42 -1.597 10.324 10.324 319 3HD1 ILE 42 2HD1 ILE 42 -2.801 11.589 11.589 320 H SER 43 H SER 43 2.757 11.208 11.208 321 HA SER 43 HA SER 43 4.914 12.921 12.921 322 1HB SER 43 2HB SER 43 5.154 10.520 10.520 323 2HB SER 43 1HB SER 43 6.447 11.197 11.197 324 HG SER 43 HG SER 43 4.259 9.990 9.990 325 H TYR 44 H TYR 44 3.110 12.141 12.141 326 HA TYR 44 HA TYR 44 4.691 13.403 13.403 327 1HB TYR 44 2HB TYR 44 3.609 11.613 11.613 328 2HB TYR 44 1HB TYR 44 2.266 11.654 11.654 329 HD1 TYR 44 HD1 TYR 44 3.702 13.766 13.766 330 HD2 TYR 44 HD2 TYR 44 0.216 12.110 12.110 331 HE1 TYR 44 HE1 TYR 44 2.485 14.824 14.824 332 HE2 TYR 44 HE2 TYR 44 -1.058 13.130 13.130 333 HH TYR 44 HH TYR 44 0.202 15.663 15.663 334 H TYR 45 H TYR 45 1.434 13.763 13.763 335 HA TYR 45 HA TYR 45 1.145 16.319 16.319 336 1HB TYR 45 2HB TYR 45 -1.140 16.191 16.191 337 2HB TYR 45 1HB TYR 45 -0.710 14.538 14.538 338 HD1 TYR 45 HD1 TYR 45 -0.623 17.667 17.667 339 HD2 TYR 45 HD2 TYR 45 -1.641 13.537 13.537 340 HE1 TYR 45 HE1 TYR 45 -1.415 17.775 17.775 341 HE2 TYR 45 HE2 TYR 45 -2.440 13.652 13.652 342 HH TYR 45 HH TYR 45 -2.309 14.925 14.925 343 H THR 46 H THR 46 1.962 15.629 15.629 344 HA THR 46 HA THR 46 1.777 18.282 18.282 345 HB THR 46 HB THR 46 3.764 17.579 17.579 346 HG1 THR 46 HG1 THR 46 4.889 16.009 16.009 347 1HG2 THR 46 3HG2 THR 46 1.500 15.536 15.536 348 2HG2 THR 46 2HG2 THR 46 2.461 15.765 15.765 349 3HG2 THR 46 1HG2 THR 46 1.350 17.018 17.018 350 H ALA 47 H ALA 47 4.369 16.840 16.840 351 HA ALA 47 HA ALA 47 6.060 19.164 19.164 352 1HB ALA 47 1HB ALA 47 6.898 16.901 16.901 353 2HB ALA 47 3HB ALA 47 5.928 16.962 16.962 354 3HB ALA 47 2HB ALA 47 7.320 18.022 18.022 355 H GLN 48 H GLN 48 3.337 18.502 18.502 356 HA GLN 48 HA GLN 48 4.295 20.393 20.393 357 1HB GLN 48 2HB GLN 48 1.694 18.988 18.988 358 2HB GLN 48 1HB GLN 48 1.729 20.238 20.238 359 1HG GLN 48 2HG GLN 48 2.165 17.875 17.875 360 2HG GLN 48 1HG GLN 48 3.458 19.000 19.000 361 1HE2 GLN 48 2HE2 GLN 48 4.148 15.944 15.944 362 2HE2 GLN 48 1HE2 GLN 48 2.572 16.178 16.178 363 H GLY 49 H GLY 49 2.977 20.738 20.738 364 1HA GLY 49 2HA GLY 49 2.615 22.653 22.653 365 2HA GLY 49 1HA GLY 49 2.953 23.626 23.626 366 H GLU 50 H GLU 50 1.103 23.992 23.992 367 HA GLU 50 HA GLU 50 -1.507 23.206 23.206 368 1HB GLU 50 2HB GLU 50 -2.108 25.267 25.267 369 2HB GLU 50 1HB GLU 50 -0.710 24.468 24.468 370 1HG GLU 50 2HG GLU 50 0.361 26.492 26.492 371 2HG GLU 50 1HG GLU 50 0.388 26.216 26.216 372 HA PRO 51 HA PRO 51 -3.760 24.735 24.735 373 1HB PRO 51 2HB PRO 51 -5.994 24.438 24.438 374 2HB PRO 51 1HB PRO 51 -5.353 26.026 26.026 375 1HG PRO 51 2HG PRO 51 -4.787 24.447 24.447 376 2HG PRO 51 1HG PRO 51 -5.337 26.121 26.121 377 1HD PRO 51 2HD PRO 51 -2.687 25.667 25.667 378 2HD PRO 51 1HD PRO 51 -3.215 26.878 26.878 379 H PHE 52 H PHE 52 -3.162 22.826 22.826 380 HA PHE 52 HA PHE 52 -4.047 20.391 20.391 381 1HB PHE 52 2HB PHE 52 -1.260 21.263 21.263 382 2HB PHE 52 1HB PHE 52 -1.333 19.889 19.889 383 HD1 PHE 52 HD2 PHE 52 -3.626 18.365 18.365 384 HD2 PHE 52 HD1 PHE 52 -0.140 20.237 20.237 385 HE1 PHE 52 HE2 PHE 52 -3.661 16.831 16.831 386 HE2 PHE 52 HE1 PHE 52 -0.240 18.624 18.624 387 HZ PHE 52 HZ PHE 52 -1.965 16.959 16.959 388 HA PRO 53 HA PRO 53 -2.826 18.758 18.758 389 1HB PRO 53 2HB PRO 53 -1.827 20.445 20.445 390 2HB PRO 53 1HB PRO 53 -0.777 19.666 19.666 391 1HG PRO 53 2HG PRO 53 -2.082 22.446 22.446 392 2HG PRO 53 1HG PRO 53 -0.364 22.057 22.057 393 1HD PRO 53 2HD PRO 53 -1.760 22.280 22.280 394 2HD PRO 53 1HD PRO 53 -0.696 20.864 20.864 395 H ASN 54 H ASN 54 -4.720 21.088 21.088 396 HA ASN 54 HA ASN 54 -6.590 20.679 20.679 397 1HB ASN 54 2HB ASN 54 -5.451 22.875 22.875 398 2HB ASN 54 1HB ASN 54 -5.921 23.377 23.377 399 1HD2 ASN 54 2HD2 ASN 54 -8.612 23.692 23.692 400 2HD2 ASN 54 1HD2 ASN 54 -7.086 23.011 23.011 401 H ASN 55 H ASN 55 -6.104 21.273 21.273 402 HA ASN 55 HA ASN 55 -9.007 20.725 20.725 403 1HB ASN 55 2HB ASN 55 -6.983 22.270 22.270 404 2HB ASN 55 1HB ASN 55 -8.618 21.870 21.870 405 1HD2 ASN 55 2HD2 ASN 55 -8.060 25.193 25.193 406 2HD2 ASN 55 1HD2 ASN 55 -6.728 24.244 24.244 407 H LEU 56 H LEU 56 -6.408 19.070 19.070 408 HA LEU 56 HA LEU 56 -6.109 17.843 17.843 409 1HB LEU 56 2HB LEU 56 -5.040 15.984 15.984 410 2HB LEU 56 1HB LEU 56 -4.720 17.357 17.357 411 HG LEU 56 HG LEU 56 -6.822 16.645 16.645 412 1HD1 LEU 56 1HD1 LEU 56 -7.583 14.811 14.811 413 2HD1 LEU 56 3HD1 LEU 56 -6.077 14.012 14.012 414 3HD1 LEU 56 2HD1 LEU 56 -7.280 14.198 14.198 415 1HD2 LEU 56 3HD2 LEU 56 -4.504 16.419 16.419 416 2HD2 LEU 56 2HD2 LEU 56 -5.480 15.058 15.058 417 3HD2 LEU 56 1HD2 LEU 56 -4.395 14.866 14.866 418 H ASP 57 H ASP 57 -8.326 17.365 17.365 419 HA ASP 57 HA ASP 57 -9.828 15.354 15.354 420 1HB ASP 57 2HB ASP 57 -10.780 18.003 18.003 421 2HB ASP 57 1HB ASP 57 -11.792 16.573 16.573 422 H LYS 58 H LYS 58 -10.085 18.546 18.546 423 HA LYS 58 HA LYS 58 -12.266 17.428 17.428 424 1HB LYS 58 2HB LYS 58 -12.940 19.781 19.781 425 2HB LYS 58 1HB LYS 58 -12.928 19.345 19.345 426 1HG LYS 58 2HG LYS 58 -10.479 20.371 20.371 427 2HG LYS 58 1HG LYS 58 -10.997 21.162 21.162 428 1HD LYS 58 2HD LYS 58 -13.094 21.575 21.575 429 2HD LYS 58 1HD LYS 58 -11.568 21.757 21.757 430 1HE LYS 58 2HE LYS 58 -12.253 23.933 23.933 431 2HE LYS 58 1HE LYS 58 -10.794 23.426 23.426 432 1HZ LYS 58 2HZ LYS 58 -13.061 22.435 22.435 433 2HZ LYS 58 1HZ LYS 58 -13.257 24.109 24.109 434 3HZ LYS 58 3HZ LYS 58 -11.878 23.514 23.514 435 H LEU 59 H LEU 59 -9.087 17.965 17.965 436 HA LEU 59 HA LEU 59 -8.945 18.473 18.473 437 1HB LEU 59 2HB LEU 59 -6.717 18.865 18.865 438 2HB LEU 59 1HB LEU 59 -6.829 19.480 19.480 439 HG LEU 59 HG LEU 59 -8.792 20.296 20.296 440 1HD1 LEU 59 1HD1 LEU 59 -6.588 21.115 21.115 441 2HD1 LEU 59 3HD1 LEU 59 -6.416 21.868 21.868 442 3HD1 LEU 59 2HD1 LEU 59 -7.646 22.437 22.437 443 1HD2 LEU 59 1HD2 LEU 59 -8.426 21.370 21.370 444 2HD2 LEU 59 3HD2 LEU 59 -9.781 20.420 20.420 445 3HD2 LEU 59 2HD2 LEU 59 -9.474 22.015 22.015 446 H CYS 60 H CYS 60 -8.623 16.108 16.108 447 HA CYS 60 HA CYS 60 -6.828 14.375 14.375 448 1HB CYS 60 2HB CYS 60 -7.344 14.281 14.281 449 2HB CYS 60 1HB CYS 60 -6.330 13.195 13.195 450 H GLY 61 H GLY 61 -9.902 15.072 15.072 451 1HA GLY 61 2HA GLY 61 -11.939 13.940 13.940 452 2HA GLY 61 1HA GLY 61 -11.497 13.490 13.490 453 HA PRO 62 HA PRO 62 -9.484 10.053 10.053 454 1HB PRO 62 2HB PRO 62 -9.613 9.921 9.921 455 2HB PRO 62 1HB PRO 62 -8.501 11.049 11.049 456 1HG PRO 62 2HG PRO 62 -11.409 11.644 11.644 457 2HG PRO 62 1HG PRO 62 -9.956 12.490 12.490 458 1HD PRO 62 2HD PRO 62 -11.161 13.575 13.575 459 2HD PRO 62 1HD PRO 62 -9.442 13.236 13.236 460 H ASN 63 H ASN 63 -11.770 9.628 9.628 461 HA ASN 63 HA ASN 63 -12.908 7.344 7.344 462 1HB ASN 63 2HB ASN 63 -14.543 9.633 9.633 463 2HB ASN 63 1HB ASN 63 -15.232 8.137 8.137 464 1HD2 ASN 63 2HD2 ASN 63 -14.118 10.985 10.985 465 2HD2 ASN 63 1HD2 ASN 63 -13.864 11.250 11.250 466 H VAL 64 H VAL 64 -13.557 9.089 9.089 467 HA VAL 64 HA VAL 64 -12.782 6.694 6.694 468 HB VAL 64 HB VAL 64 -14.832 6.888 6.888 469 1HG1 VAL 64 2HG1 VAL 64 -14.800 5.282 5.282 470 2HG1 VAL 64 1HG1 VAL 64 -15.436 6.526 6.526 471 3HG1 VAL 64 3HG1 VAL 64 -16.412 5.918 5.918 472 1HG2 VAL 64 3HG2 VAL 64 -15.745 8.938 8.938 473 2HG2 VAL 64 2HG2 VAL 64 -15.414 9.264 9.264 474 3HG2 VAL 64 1HG2 VAL 64 -16.745 8.238 8.238 475 H THR 65 H THR 65 -13.663 10.090 10.090 476 HA THR 65 HA THR 65 -13.197 11.727 11.727 477 HB THR 65 HB THR 65 -10.754 11.521 11.521 478 HG1 THR 65 HG1 THR 65 -10.620 12.970 12.970 479 1HG2 THR 65 2HG2 THR 65 -10.137 9.789 9.789 480 2HG2 THR 65 1HG2 THR 65 -9.021 10.418 10.418 481 3HG2 THR 65 3HG2 THR 65 -10.095 9.120 9.120 482 H ASP 66 H ASP 66 -11.421 10.810 10.810 483 HA ASP 66 HA ASP 66 -13.688 9.298 9.298 484 1HB ASP 66 2HB ASP 66 -11.671 11.310 11.310 485 2HB ASP 66 1HB ASP 66 -12.673 10.302 10.302 486 H PHE 67 H PHE 67 -11.950 7.841 7.841 487 HA PHE 67 HA PHE 67 -10.097 6.512 6.512 488 1HB PHE 67 2HB PHE 67 -8.756 6.202 6.202 489 2HB PHE 67 1HB PHE 67 -9.822 7.241 7.241 490 HD1 PHE 67 HD1 PHE 67 -12.092 5.847 5.847 491 HD2 PHE 67 HD2 PHE 67 -8.213 4.190 4.190 492 HE1 PHE 67 HE1 PHE 67 -12.591 4.042 4.042 493 HE2 PHE 67 HE2 PHE 67 -8.724 2.388 2.388 494 HZ PHE 67 HZ PHE 67 -10.942 2.286 2.286 495 HA PRO 68 HA PRO 68 -12.711 3.011 3.011 496 1HB PRO 68 2HB PRO 68 -11.055 0.832 0.832 497 2HB PRO 68 1HB PRO 68 -10.985 1.910 1.910 498 1HG PRO 68 2HG PRO 68 -9.355 2.128 2.128 499 2HG PRO 68 1HG PRO 68 -8.704 2.042 2.042 500 1HD PRO 68 2HD PRO 68 -9.051 4.487 4.487 501 2HD PRO 68 1HD PRO 68 -9.670 4.285 4.285 502 HA PRO 69 HA PRO 69 -13.738 2.632 2.632 503 1HB PRO 69 2HB PRO 69 -16.345 1.996 1.996 504 2HB PRO 69 1HB PRO 69 -15.755 3.549 3.549 505 1HG PRO 69 2HG PRO 69 -16.218 0.959 0.959 506 2HG PRO 69 1HG PRO 69 -16.898 2.560 2.560 507 1HD PRO 69 2HD PRO 69 -14.589 1.726 1.726 508 2HD PRO 69 1HD PRO 69 -14.774 3.430 3.430 509 H PHE 70 H PHE 70 -12.187 0.750 0.750 510 HA PHE 70 HA PHE 70 -12.244 -1.839 -1.839 511 1HB PHE 70 2HB PHE 70 -10.524 -0.516 -0.516 512 2HB PHE 70 1HB PHE 70 -11.613 -0.753 -0.753 513 HD1 PHE 70 HD1 PHE 70 -9.617 -2.466 -2.466 514 HD2 PHE 70 HD2 PHE 70 -11.726 -2.978 -2.978 515 HE1 PHE 70 HE1 PHE 70 -8.798 -4.711 -4.711 516 HE2 PHE 70 HE2 PHE 70 -10.857 -5.275 -5.275 517 HZ PHE 70 HZ PHE 70 -9.375 -6.141 -6.141 518 H HIS 71 H HIS 71 -13.990 -3.423 -3.423 519 HA HIS 71 HA HIS 71 -15.422 -3.258 -3.258 520 1HB HIS 71 2HB HIS 71 -16.545 -3.170 -3.170 521 2HB HIS 71 1HB HIS 71 -17.325 -4.339 -4.339 522 HD1 HIS 71 HD1 HIS 71 -15.970 -0.916 -0.916 523 HD2 HIS 71 HD2 HIS 71 -19.461 -2.995 -2.995 524 HE1 HIS 71 HE1 HIS 71 -17.544 0.596 0.596 525 H ALA 72 H ALA 72 -14.497 -4.874 -4.874 526 HA ALA 72 HA ALA 72 -13.630 -7.287 -7.287 527 1HB ALA 72 3HB ALA 72 -12.606 -6.555 -6.555 528 2HB ALA 72 2HB ALA 72 -14.175 -6.852 -6.852 529 3HB ALA 72 1HB ALA 72 -13.281 -8.187 -8.187 530 H ASN 73 H ASN 73 -15.610 -7.545 -7.545 531 HA ASN 73 HA ASN 73 -17.897 -8.443 -8.443 532 1HB ASN 73 2HB ASN 73 -18.198 -6.756 -6.756 533 2HB ASN 73 1HB ASN 73 -17.697 -8.027 -8.027 534 1HD2 ASN 73 2HD2 ASN 73 -21.129 -8.899 -8.899 535 2HD2 ASN 73 1HD2 ASN 73 -19.743 -8.419 -8.419 536 H GLY 74 H GLY 74 -16.212 -9.691 -9.691 537 1HA GLY 74 2HA GLY 74 -14.873 -11.638 -11.638 538 2HA GLY 74 1HA GLY 74 -16.480 -12.358 -12.358 539 H THR 75 H THR 75 -14.339 -10.766 -10.766 540 HA THR 75 HA THR 75 -14.278 -13.275 -13.275 541 HB THR 75 HB THR 75 -13.876 -11.017 -11.017 542 HG1 THR 75 HG1 THR 75 -16.012 -10.846 -10.846 543 1HG2 THR 75 2HG2 THR 75 -16.229 -12.833 -12.833 544 2HG2 THR 75 1HG2 THR 75 -15.856 -11.986 -11.986 545 3HG2 THR 75 3HG2 THR 75 -14.800 -13.285 -13.285 546 H GLU 76 H GLU 76 -12.439 -13.988 -13.988 547 HA GLU 76 HA GLU 76 -10.022 -12.956 -12.956 548 1HB GLU 76 2HB GLU 76 -9.711 -14.612 -14.612 549 2HB GLU 76 1HB GLU 76 -8.982 -14.819 -14.819 550 1HG GLU 76 2HG GLU 76 -10.901 -15.951 -15.951 551 2HG GLU 76 1HG GLU 76 -11.900 -15.597 -15.597 552 H LYS 77 H LYS 77 -10.861 -13.312 -13.312 553 HA LYS 77 HA LYS 77 -9.078 -11.717 -11.717 554 1HB LYS 77 2HB LYS 77 -10.752 -13.302 -13.302 555 2HB LYS 77 1HB LYS 77 -12.019 -12.124 -12.124 556 1HG LYS 77 2HG LYS 77 -10.707 -10.510 -10.510 557 2HG LYS 77 1HG LYS 77 -9.566 -11.794 -11.794 558 1HD LYS 77 2HD LYS 77 -11.118 -11.759 -11.759 559 2HD LYS 77 1HD LYS 77 -11.197 -13.273 -13.273 560 1HE LYS 77 2HE LYS 77 -13.474 -12.358 -12.358 561 2HE LYS 77 1HE LYS 77 -13.316 -12.686 -12.686 562 1HZ LYS 77 2HZ LYS 77 -12.393 -10.076 -10.076 563 2HZ LYS 77 1HZ LYS 77 -13.913 -10.216 -10.216 564 3HZ LYS 77 3HZ LYS 77 -13.723 -10.561 -10.561 565 H ALA 78 H ALA 78 -12.167 -10.574 -10.574 566 HA ALA 78 HA ALA 78 -11.791 -7.869 -7.869 567 1HB ALA 78 3HB ALA 78 -13.591 -8.817 -8.817 568 2HB ALA 78 2HB ALA 78 -13.659 -7.240 -7.240 569 3HB ALA 78 1HB ALA 78 -14.075 -8.676 -8.676 570 H LYS 79 H LYS 79 -11.124 -9.440 -9.440 571 HA LYS 79 HA LYS 79 -10.410 -7.117 -7.117 572 1HB LYS 79 2HB LYS 79 -9.491 -9.997 -9.997 573 2HB LYS 79 1HB LYS 79 -9.087 -8.785 -8.785 574 1HG LYS 79 2HG LYS 79 -11.591 -8.375 -8.375 575 2HG LYS 79 1HG LYS 79 -11.903 -9.723 -9.723 576 1HD LYS 79 2HD LYS 79 -10.468 -9.835 -9.835 577 2HD LYS 79 1HD LYS 79 -12.063 -10.440 -10.440 578 1HE LYS 79 2HE LYS 79 -11.230 -12.213 -12.213 579 2HE LYS 79 1HE LYS 79 -9.619 -11.523 -11.523 580 1HZ LYS 79 3HZ LYS 79 -10.209 -11.896 -11.896 581 2HZ LYS 79 2HZ LYS 79 -10.598 -13.357 -13.357 582 3HZ LYS 79 1HZ LYS 79 -9.062 -12.618 -12.618 583 H LEU 80 H LEU 80 -8.561 -9.454 -9.454 584 HA LEU 80 HA LEU 80 -6.063 -8.040 -8.040 585 1HB LEU 80 2HB LEU 80 -6.840 -10.209 -10.209 586 2HB LEU 80 1HB LEU 80 -5.210 -9.727 -9.727 587 HG LEU 80 HG LEU 80 -7.217 -10.826 -10.826 588 1HD1 LEU 80 1HD1 LEU 80 -4.836 -12.236 -12.236 589 2HD1 LEU 80 3HD1 LEU 80 -5.833 -12.865 -12.865 590 3HD1 LEU 80 2HD1 LEU 80 -6.530 -12.630 -12.630 591 1HD2 LEU 80 2HD2 LEU 80 -5.416 -9.361 -9.361 592 2HD2 LEU 80 1HD2 LEU 80 -5.244 -11.034 -11.034 593 3HD2 LEU 80 3HD2 LEU 80 -4.236 -10.374 -10.374 594 H VAL 81 H VAL 81 -8.420 -8.138 -8.138 595 HA VAL 81 HA VAL 81 -6.799 -6.451 -6.451 596 HB VAL 81 HB VAL 81 -9.760 -7.155 -7.155 597 1HG1 VAL 81 2HG1 VAL 81 -8.149 -5.481 -5.481 598 2HG1 VAL 81 1HG1 VAL 81 -9.782 -6.108 -6.108 599 3HG1 VAL 81 3HG1 VAL 81 -9.482 -4.910 -4.910 600 1HG2 VAL 81 3HG2 VAL 81 -7.361 -7.905 -7.905 601 2HG2 VAL 81 2HG2 VAL 81 -8.138 -8.942 -8.942 602 3HG2 VAL 81 1HG2 VAL 81 -9.011 -8.442 -8.442 603 H GLU 82 H GLU 82 -9.653 -5.572 -5.572 604 HA GLU 82 HA GLU 82 -9.486 -2.823 -2.823 605 1HB GLU 82 2HB GLU 82 -10.750 -4.127 -4.127 606 2HB GLU 82 1HB GLU 82 -10.886 -2.411 -2.411 607 1HG GLU 82 2HG GLU 82 -11.825 -4.624 -4.624 608 2HG GLU 82 1HG GLU 82 -12.887 -3.742 -3.742 609 H LEU 83 H LEU 83 -7.884 -4.805 -4.805 610 HA LEU 83 HA LEU 83 -6.730 -2.488 -2.488 611 1HB LEU 83 2HB LEU 83 -6.844 -4.735 -4.735 612 2HB LEU 83 1HB LEU 83 -5.843 -5.428 -5.428 613 HG LEU 83 HG LEU 83 -4.868 -4.597 -4.597 614 1HD1 LEU 83 2HD1 LEU 83 -3.539 -5.718 -5.718 615 2HD1 LEU 83 1HD1 LEU 83 -3.334 -4.183 -4.183 616 3HD1 LEU 83 3HD1 LEU 83 -2.669 -4.415 -4.415 617 1HD2 LEU 83 2HD2 LEU 83 -5.608 -2.408 -2.408 618 2HD2 LEU 83 1HD2 LEU 83 -3.860 -2.468 -2.468 619 3HD2 LEU 83 3HD2 LEU 83 -4.640 -2.134 -2.134 620 H TYR 84 H TYR 84 -5.205 -4.980 -4.980 621 HA TYR 84 HA TYR 84 -2.928 -3.917 -3.917 622 1HB TYR 84 2HB TYR 84 -3.945 -5.973 -5.973 623 2HB TYR 84 1HB TYR 84 -5.158 -5.131 -5.131 624 HD1 TYR 84 HD1 TYR 84 -4.228 -3.568 -3.568 625 HD2 TYR 84 HD2 TYR 84 -1.996 -6.477 -6.477 626 HE1 TYR 84 HE1 TYR 84 -2.659 -3.561 -3.561 627 HE2 TYR 84 HE2 TYR 84 -0.405 -6.537 -6.537 628 HH TYR 84 HH TYR 84 0.458 -4.865 -4.865 629 H ARG 85 H ARG 85 -5.705 -3.368 -3.368 630 HA ARG 85 HA ARG 85 -5.121 -1.208 -1.208 631 1HB ARG 85 2HB ARG 85 -7.289 -2.427 -2.427 632 2HB ARG 85 1HB ARG 85 -7.744 -1.799 -1.799 633 1HG ARG 85 2HG ARG 85 -8.009 0.435 0.435 634 2HG ARG 85 1HG ARG 85 -7.271 0.071 0.071 635 1HD ARG 85 2HD ARG 85 -9.868 -1.176 -1.176 636 2HD ARG 85 1HD ARG 85 -9.800 0.190 0.190 637 HE ARG 85 HE ARG 85 -8.513 -1.260 -1.260 638 1HH1 ARG 85 2HH1 ARG 85 -10.579 -2.777 -2.777 639 2HH1 ARG 85 1HH1 ARG 85 -10.863 -4.167 -4.167 640 1HH2 ARG 85 1HH2 ARG 85 -8.771 -3.068 -3.068 641 2HH2 ARG 85 2HH2 ARG 85 -9.789 -4.305 -4.305 642 H MET 86 H MET 86 -6.603 -0.937 -0.937 643 HA MET 86 HA MET 86 -6.615 1.785 1.785 644 1HB MET 86 2HB MET 86 -7.660 0.338 0.338 645 2HB MET 86 1HB MET 86 -6.159 -0.409 -0.409 646 1HG MET 86 2HG MET 86 -5.420 1.867 1.867 647 2HG MET 86 1HG MET 86 -7.041 2.393 2.393 648 1HE MET 86 3HE MET 86 -4.855 -0.152 -0.152 649 2HE MET 86 2HE MET 86 -4.802 1.293 1.293 650 3HE MET 86 1HE MET 86 -5.556 -0.193 -0.193 651 H VAL 87 H VAL 87 -4.019 -0.412 -0.412 652 HA VAL 87 HA VAL 87 -2.077 1.464 1.464 653 HB VAL 87 HB VAL 87 -1.992 -1.392 -1.392 654 1HG1 VAL 87 1HG1 VAL 87 0.058 0.217 0.217 655 2HG1 VAL 87 3HG1 VAL 87 0.135 -1.526 -1.526 656 3HG1 VAL 87 2HG1 VAL 87 0.231 -0.379 -0.379 657 1HG2 VAL 87 3HG2 VAL 87 -3.411 -1.230 -1.230 658 2HG2 VAL 87 2HG2 VAL 87 -1.975 -2.129 -2.129 659 3HG2 VAL 87 1HG2 VAL 87 -2.195 -0.478 -0.478 660 H ALA 88 H ALA 88 -2.938 0.001 0.001 661 HA ALA 88 HA ALA 88 -0.412 0.783 0.783 662 1HB ALA 88 3HB ALA 88 -3.113 0.051 0.051 663 2HB ALA 88 2HB ALA 88 -1.572 0.122 0.122 664 3HB ALA 88 1HB ALA 88 -1.811 -1.040 -1.040 665 H TYR 89 H TYR 89 -3.739 2.154 2.154 666 HA TYR 89 HA TYR 89 -2.926 4.520 4.520 667 1HB TYR 89 2HB TYR 89 -5.109 5.420 5.420 668 2HB TYR 89 1HB TYR 89 -5.444 3.716 3.716 669 HD1 TYR 89 HD1 TYR 89 -4.530 6.798 6.798 670 HD2 TYR 89 HD2 TYR 89 -6.459 2.993 2.993 671 HE1 TYR 89 HE1 TYR 89 -5.315 7.230 7.230 672 HE2 TYR 89 HE2 TYR 89 -7.227 3.508 3.508 673 HH TYR 89 HH TYR 89 -6.150 6.445 6.445 674 H LEU 90 H LEU 90 -3.225 3.840 3.840 675 HA LEU 90 HA LEU 90 -2.343 6.417 6.417 676 1HB LEU 90 2HB LEU 90 -3.642 4.803 4.803 677 2HB LEU 90 1HB LEU 90 -2.253 3.751 3.751 678 HG LEU 90 HG LEU 90 -1.722 6.589 6.589 679 1HD1 LEU 90 3HD1 LEU 90 -3.546 4.764 4.764 680 2HD1 LEU 90 2HD1 LEU 90 -2.819 6.245 6.245 681 3HD1 LEU 90 1HD1 LEU 90 -3.954 6.311 6.311 682 1HD2 LEU 90 2HD2 LEU 90 -1.172 3.867 3.867 683 2HD2 LEU 90 1HD2 LEU 90 -0.049 4.776 4.776 684 3HD2 LEU 90 3HD2 LEU 90 -0.528 5.394 5.394 685 H SER 91 H SER 91 -0.537 3.331 3.331 686 HA SER 91 HA SER 91 1.955 4.254 4.254 687 1HB SER 91 2HB SER 91 1.402 2.330 2.330 688 2HB SER 91 1HB SER 91 3.031 2.614 2.614 689 HG SER 91 HG SER 91 2.468 1.168 1.168 690 H ALA 92 H ALA 92 0.489 4.713 4.713 691 HA ALA 92 HA ALA 92 2.664 6.157 6.157 692 1HB ALA 92 3HB ALA 92 0.769 5.135 5.135 693 2HB ALA 92 2HB ALA 92 -0.343 6.296 6.296 694 3HB ALA 92 1HB ALA 92 0.961 6.848 6.848 695 H SER 93 H SER 93 -0.487 7.270 7.270 696 HA SER 93 HA SER 93 -0.104 10.020 10.020 697 1HB SER 93 2HB SER 93 -1.231 8.485 8.485 698 2HB SER 93 1HB SER 93 -1.604 10.150 10.150 699 HG SER 93 HG SER 93 -3.007 9.283 9.283 700 H LEU 94 H LEU 94 0.616 7.980 7.980 701 HA LEU 94 HA LEU 94 2.023 9.467 9.467 702 1HB LEU 94 2HB LEU 94 1.668 6.638 6.638 703 2HB LEU 94 1HB LEU 94 3.349 6.900 6.900 704 HG LEU 94 HG LEU 94 2.769 7.975 7.975 705 1HD1 LEU 94 3HD1 LEU 94 -0.125 7.359 7.359 706 2HD1 LEU 94 2HD1 LEU 94 0.452 7.839 7.839 707 3HD1 LEU 94 1HD1 LEU 94 0.564 8.946 8.946 708 1HD2 LEU 94 3HD2 LEU 94 1.577 5.177 5.177 709 2HD2 LEU 94 2HD2 LEU 94 3.224 5.576 5.576 710 3HD2 LEU 94 1HD2 LEU 94 1.925 5.922 5.922 711 H THR 95 H THR 95 3.360 7.728 7.728 712 HA THR 95 HA THR 95 6.055 8.470 8.470 713 HB THR 95 HB THR 95 4.475 7.856 7.856 714 HG1 THR 95 HG1 THR 95 4.776 6.132 6.132 715 1HG2 THR 95 2HG2 THR 95 7.511 8.146 8.146 716 2HG2 THR 95 1HG2 THR 95 6.817 7.756 7.756 717 3HG2 THR 95 3HG2 THR 95 6.656 9.374 9.374 718 H ASN 96 H ASN 96 3.754 10.188 10.188 719 HA ASN 96 HA ASN 96 5.204 12.457 12.457 720 1HB ASN 96 2HB ASN 96 2.307 12.665 12.665 721 2HB ASN 96 1HB ASN 96 3.110 13.763 13.763 722 1HD2 ASN 96 2HD2 ASN 96 1.756 10.176 10.176 723 2HD2 ASN 96 1HD2 ASN 96 1.939 10.436 10.436 724 H ILE 97 H ILE 97 3.132 12.290 12.290 725 HA ILE 97 HA ILE 97 3.702 14.472 14.472 726 HB ILE 97 HB ILE 97 3.114 11.587 11.587 727 1HG1 ILE 97 2HG1 ILE 97 1.107 12.825 12.825 728 2HG1 ILE 97 1HG1 ILE 97 1.594 14.146 14.146 729 1HG2 ILE 97 1HG2 ILE 97 4.545 12.325 12.325 730 2HG2 ILE 97 3HG2 ILE 97 3.524 13.715 13.715 731 3HG2 ILE 97 2HG2 ILE 97 2.888 12.113 12.113 732 1HD1 ILE 97 1HD1 ILE 97 0.909 11.309 11.309 733 2HD1 ILE 97 3HD1 ILE 97 -0.171 12.656 12.656 734 3HD1 ILE 97 2HD1 ILE 97 1.311 12.641 12.641 735 H THR 98 H THR 98 5.392 11.425 11.425 736 HA THR 98 HA THR 98 7.373 11.987 11.987 737 HB THR 98 HB THR 98 7.868 10.507 10.507 738 HG1 THR 98 HG1 THR 98 6.111 9.654 9.654 739 1HG2 THR 98 3HG2 THR 98 9.906 10.832 10.832 740 2HG2 THR 98 2HG2 THR 98 9.037 9.951 9.951 741 3HG2 THR 98 1HG2 THR 98 9.401 9.176 9.176 742 H ARG 99 H ARG 99 7.630 12.558 12.558 743 HA ARG 99 HA ARG 99 10.100 13.999 13.999 744 1HB ARG 99 2HB ARG 99 8.921 12.919 12.919 745 2HB ARG 99 1HB ARG 99 7.840 14.298 14.298 746 1HG ARG 99 2HG ARG 99 9.774 15.828 15.828 747 2HG ARG 99 1HG ARG 99 10.875 14.461 14.461 748 1HD ARG 99 2HD ARG 99 9.767 13.536 13.536 749 2HD ARG 99 1HD ARG 99 8.661 14.906 14.906 750 HE ARG 99 HE ARG 99 10.814 16.333 16.333 751 1HH1 ARG 99 2HH1 ARG 99 10.624 13.167 13.167 752 2HH1 ARG 99 1HH1 ARG 99 11.852 13.512 13.512 753 1HH2 ARG 99 1HH2 ARG 99 12.364 16.786 16.786 754 2HH2 ARG 99 2HH2 ARG 99 12.865 15.622 15.622 755 H ASP 100 H ASP 100 6.806 15.318 15.318 756 HA ASP 100 HA ASP 100 7.318 18.024 18.024 757 1HB ASP 100 2HB ASP 100 4.944 16.477 16.477 758 2HB ASP 100 1HB ASP 100 4.984 18.234 18.234 759 H GLN 101 H GLN 101 6.681 15.942 15.942 760 HA GLN 101 HA GLN 101 6.911 17.991 17.991 761 1HB GLN 101 2HB GLN 101 6.448 15.019 15.019 762 2HB GLN 101 1HB GLN 101 7.096 15.656 15.656 763 1HG GLN 101 2HG GLN 101 4.740 15.754 15.754 764 2HG GLN 101 1HG GLN 101 5.274 17.400 17.400 765 1HE2 GLN 101 2HE2 GLN 101 3.725 17.348 17.348 766 2HE2 GLN 101 1HE2 GLN 101 5.200 17.857 17.857 767 H LYS 102 H LYS 102 8.955 15.329 15.329 768 HA LYS 102 HA LYS 102 11.094 15.591 15.591 769 1HB LYS 102 2HB LYS 102 11.080 13.975 13.975 770 2HB LYS 102 1HB LYS 102 11.260 15.349 15.349 771 1HG LYS 102 2HG LYS 102 13.467 15.882 15.882 772 2HG LYS 102 1HG LYS 102 13.338 14.533 14.533 773 1HD LYS 102 2HD LYS 102 13.105 13.031 13.031 774 2HD LYS 102 1HD LYS 102 13.452 14.452 14.452 775 1HE LYS 102 2HE LYS 102 15.595 14.758 14.758 776 2HE LYS 102 1HE LYS 102 15.255 13.171 13.171 777 1HZ LYS 102 3HZ LYS 102 15.076 12.986 12.986 778 2HZ LYS 102 2HZ LYS 102 16.547 13.764 13.764 779 3HZ LYS 102 1HZ LYS 102 16.190 12.242 12.242 780 H VAL 103 H VAL 103 10.153 17.491 17.491 781 HA VAL 103 HA VAL 103 12.398 19.411 19.411 782 HB VAL 103 HB VAL 103 10.112 19.290 19.290 783 1HG1 VAL 103 1HG1 VAL 103 12.698 20.911 20.911 784 2HG1 VAL 103 3HG1 VAL 103 11.531 20.841 20.841 785 3HG1 VAL 103 2HG1 VAL 103 11.088 21.568 21.568 786 1HG2 VAL 103 2HG2 VAL 103 11.630 17.308 17.308 787 2HG2 VAL 103 1HG2 VAL 103 11.837 18.311 18.311 788 3HG2 VAL 103 3HG2 VAL 103 13.024 18.363 18.363 789 H LEU 104 H LEU 104 8.992 19.221 19.221 790 HA LEU 104 HA LEU 104 8.603 22.046 22.046 791 1HB LEU 104 2HB LEU 104 6.742 20.233 20.233 792 2HB LEU 104 1HB LEU 104 6.988 19.862 19.862 793 HG LEU 104 HG LEU 104 6.556 22.386 22.386 794 1HD1 LEU 104 3HD1 LEU 104 5.386 22.114 22.114 795 2HD1 LEU 104 2HD1 LEU 104 5.175 23.501 23.501 796 3HD1 LEU 104 1HD1 LEU 104 6.767 23.117 23.117 797 1HD2 LEU 104 3HD2 LEU 104 4.983 20.570 20.570 798 2HD2 LEU 104 2HD2 LEU 104 4.090 21.989 21.989 799 3HD2 LEU 104 1HD2 LEU 104 4.299 20.616 20.616 800 H ASN 105 H ASN 105 9.415 19.406 19.406 801 HA ASN 105 HA ASN 105 10.004 21.620 21.620 802 1HB ASN 105 2HB ASN 105 7.723 20.627 20.627 803 2HB ASN 105 1HB ASN 105 8.467 19.110 19.110 804 1HD2 ASN 105 2HD2 ASN 105 8.145 21.520 21.520 805 2HD2 ASN 105 1HD2 ASN 105 7.161 21.521 21.521 806 HA PRO 106 HA PRO 106 13.963 19.693 19.693 807 1HB PRO 106 2HB PRO 106 14.745 20.930 20.930 808 2HB PRO 106 1HB PRO 106 14.757 21.749 21.749 809 1HG PRO 106 2HG PRO 106 12.520 21.765 21.765 810 2HG PRO 106 1HG PRO 106 13.290 23.159 23.159 811 1HD PRO 106 2HD PRO 106 10.980 22.276 22.276 812 2HD PRO 106 1HD PRO 106 12.274 22.660 22.660 813 H SER 107 H SER 107 11.410 19.384 19.384 814 HA SER 107 HA SER 107 12.509 17.196 17.196 815 1HB SER 107 2HB SER 107 9.620 18.194 18.194 816 2HB SER 107 1HB SER 107 10.651 17.584 17.584 817 HG SER 107 HG SER 107 10.617 20.065 20.065 818 H ALA 108 H ALA 108 10.129 18.059 18.059 819 HA ALA 108 HA ALA 108 8.754 15.639 15.639 820 1HB ALA 108 1HB ALA 108 9.564 17.500 17.500 821 2HB ALA 108 3HB ALA 108 8.504 16.122 16.122 822 3HB ALA 108 2HB ALA 108 7.980 17.453 17.453 823 H VAL 109 H VAL 109 11.855 16.642 16.642 824 HA VAL 109 HA VAL 109 12.483 14.622 14.622 825 HB VAL 109 HB VAL 109 14.848 14.701 14.701 826 1HG1 VAL 109 3HG1 VAL 109 13.526 17.458 17.458 827 2HG1 VAL 109 2HG1 VAL 109 15.240 17.168 17.168 828 3HG1 VAL 109 1HG1 VAL 109 14.087 16.668 16.668 829 1HG2 VAL 109 2HG2 VAL 109 13.693 16.099 16.099 830 2HG2 VAL 109 1HG2 VAL 109 14.495 14.541 14.541 831 3HG2 VAL 109 3HG2 VAL 109 15.403 15.994 15.994 832 H SER 110 H SER 110 12.305 14.418 14.418 833 HA SER 110 HA SER 110 12.992 11.581 11.581 834 1HB SER 110 2HB SER 110 13.318 13.265 13.265 835 2HB SER 110 1HB SER 110 11.561 13.299 13.299 836 HG SER 110 HG SER 110 11.685 11.385 11.385 837 H LEU 111 H LEU 111 9.958 13.407 13.407 838 HA LEU 111 HA LEU 111 8.198 11.233 11.233 839 1HB LEU 111 2HB LEU 111 6.473 12.658 12.658 840 2HB LEU 111 1HB LEU 111 7.695 13.867 13.867 841 HG LEU 111 HG LEU 111 7.956 13.873 13.873 842 1HD1 LEU 111 2HD1 LEU 111 5.204 12.586 12.586 843 2HD1 LEU 111 1HD1 LEU 111 5.918 13.273 13.273 844 3HD1 LEU 111 3HD1 LEU 111 6.555 11.815 11.815 845 1HD2 LEU 111 3HD2 LEU 111 5.434 14.908 14.908 846 2HD2 LEU 111 2HD2 LEU 111 6.954 15.718 15.718 847 3HD2 LEU 111 1HD2 LEU 111 6.134 15.414 15.414 848 H HIS 112 H HIS 112 9.447 12.448 12.448 849 HA HIS 112 HA HIS 112 7.878 10.688 10.688 850 1HB HIS 112 2HB HIS 112 8.996 11.683 11.683 851 2HB HIS 112 1HB HIS 112 9.382 12.842 12.842 852 HD1 HIS 112 HD1 HIS 112 11.273 9.601 9.601 853 HD2 HIS 112 HD2 HIS 112 11.652 13.634 13.634 854 HE1 HIS 112 HE1 HIS 112 13.649 10.080 10.080 855 H SER 113 H SER 113 11.277 10.383 10.383 856 HA SER 113 HA SER 113 11.904 7.904 7.904 857 1HB SER 113 2HB SER 113 12.255 8.615 8.615 858 2HB SER 113 1HB SER 113 13.247 7.492 7.492 859 HG SER 113 HG SER 113 14.279 9.271 9.271 860 H LYS 114 H LYS 114 9.900 8.410 8.410 861 HA LYS 114 HA LYS 114 9.145 5.725 5.725 862 1HB LYS 114 2HB LYS 114 7.587 8.354 8.354 863 2HB LYS 114 1HB LYS 114 6.845 6.855 6.855 864 1HG LYS 114 2HG LYS 114 9.573 7.378 7.378 865 2HG LYS 114 1HG LYS 114 8.301 8.436 8.436 866 1HD LYS 114 2HD LYS 114 7.884 5.419 5.419 867 2HD LYS 114 1HD LYS 114 8.764 6.119 6.119 868 1HE LYS 114 2HE LYS 114 5.967 7.115 7.115 869 2HE LYS 114 1HE LYS 114 6.163 5.767 5.767 870 1HZ LYS 114 3HZ LYS 114 7.808 7.902 7.902 871 2HZ LYS 114 2HZ LYS 114 6.244 8.531 8.531 872 3HZ LYS 114 1HZ LYS 114 6.506 7.185 7.185 873 H LEU 115 H LEU 115 7.823 8.031 8.031 874 HA LEU 115 HA LEU 115 5.717 6.446 6.446 875 1HB LEU 115 2HB LEU 115 6.510 9.093 9.093 876 2HB LEU 115 1HB LEU 115 7.032 8.490 8.490 877 HG LEU 115 HG LEU 115 4.780 7.691 7.691 878 1HD1 LEU 115 1HD1 LEU 115 4.141 8.885 8.885 879 2HD1 LEU 115 3HD1 LEU 115 2.888 8.358 8.358 880 3HD1 LEU 115 2HD1 LEU 115 3.954 7.182 7.182 881 1HD2 LEU 115 1HD2 LEU 115 4.776 10.560 10.560 882 2HD2 LEU 115 3HD2 LEU 115 5.309 10.095 10.095 883 3HD2 LEU 115 2HD2 LEU 115 3.627 9.934 9.934 884 H ASN 116 H ASN 116 9.046 6.939 6.939 885 HA ASN 116 HA ASN 116 9.013 5.475 5.475 886 1HB ASN 116 2HB ASN 116 11.163 5.368 5.368 887 2HB ASN 116 1HB ASN 116 11.332 4.668 4.668 888 1HD2 ASN 116 2HD2 ASN 116 12.357 7.709 7.709 889 2HD2 ASN 116 1HD2 ASN 116 12.301 6.007 6.007 890 H ALA 117 H ALA 117 9.420 4.403 4.403 891 HA ALA 117 HA ALA 117 9.612 1.671 1.671 892 1HB ALA 117 1HB ALA 117 8.358 2.837 2.837 893 2HB ALA 117 3HB ALA 117 8.845 1.165 1.165 894 3HB ALA 117 2HB ALA 117 10.059 2.434 2.434 895 H THR 118 H THR 118 6.717 3.365 3.365 896 HA THR 118 HA THR 118 4.851 1.368 1.368 897 HB THR 118 HB THR 118 3.126 3.360 3.360 898 HG1 THR 118 HG1 THR 118 5.439 4.485 4.485 899 1HG2 THR 118 2HG2 THR 118 4.959 3.788 3.788 900 2HG2 THR 118 1HG2 THR 118 3.336 4.434 4.434 901 3HG2 THR 118 3HG2 THR 118 3.573 2.702 2.702 902 H ILE 119 H ILE 119 6.126 3.419 3.419 903 HA ILE 119 HA ILE 119 4.371 2.424 2.424 904 HB ILE 119 HB ILE 119 7.117 3.751 3.751 905 1HG1 ILE 119 2HG1 ILE 119 4.424 5.064 5.064 906 2HG1 ILE 119 1HG1 ILE 119 5.111 5.055 5.055 907 1HG2 ILE 119 2HG2 ILE 119 5.088 3.359 3.359 908 2HG2 ILE 119 1HG2 ILE 119 6.575 4.290 4.290 909 3HG2 ILE 119 3HG2 ILE 119 6.649 2.565 2.565 910 1HD1 ILE 119 3HD1 ILE 119 6.483 6.235 6.235 911 2HD1 ILE 119 2HD1 ILE 119 5.696 7.147 7.147 912 3HD1 ILE 119 1HD1 ILE 119 7.132 6.221 6.221 913 H ASP 120 H ASP 120 7.814 1.793 1.793 914 HA ASP 120 HA ASP 120 8.069 -0.319 -0.319 915 1HB ASP 120 2HB ASP 120 9.609 0.282 0.282 916 2HB ASP 120 1HB ASP 120 10.126 -0.895 -0.895 917 H VAL 121 H VAL 121 7.514 -0.522 -0.522 918 HA VAL 121 HA VAL 121 7.445 -3.376 -3.376 919 HB VAL 121 HB VAL 121 6.379 -3.022 -3.022 920 1HG1 VAL 121 3HG1 VAL 121 8.390 -0.804 -0.804 921 2HG1 VAL 121 2HG1 VAL 121 7.927 -1.410 -1.410 922 3HG1 VAL 121 1HG1 VAL 121 8.740 -2.461 -2.461 923 1HG2 VAL 121 3HG2 VAL 121 5.741 -0.253 -0.253 924 2HG2 VAL 121 2HG2 VAL 121 4.611 -1.514 -1.514 925 3HG2 VAL 121 1HG2 VAL 121 5.533 -0.792 -0.792 926 H MET 122 H MET 122 5.025 -0.937 -0.937 927 HA MET 122 HA MET 122 2.861 -2.853 -2.853 928 1HB MET 122 2HB MET 122 3.299 -0.023 -0.023 929 2HB MET 122 1HB MET 122 2.050 -0.936 -0.936 930 1HG MET 122 2HG MET 122 2.423 -0.379 -0.379 931 2HG MET 122 1HG MET 122 1.143 0.253 0.253 932 1HE MET 122 1HE MET 122 2.666 -2.170 -2.170 933 2HE MET 122 3HE MET 122 1.227 -2.492 -2.492 934 3HE MET 122 2HE MET 122 1.889 -3.713 -3.713 935 H ARG 123 H ARG 123 5.012 -1.392 -1.392 936 HA ARG 123 HA ARG 123 4.138 -2.566 -2.566 937 1HB ARG 123 2HB ARG 123 6.062 -1.259 -1.259 938 2HB ARG 123 1HB ARG 123 6.820 -1.883 -1.883 939 1HG ARG 123 2HG ARG 123 7.266 -4.066 -4.066 940 2HG ARG 123 1HG ARG 123 6.776 -3.122 -3.122 941 1HD ARG 123 2HD ARG 123 8.955 -2.319 -2.319 942 2HD ARG 123 1HD ARG 123 9.273 -3.062 -3.062 943 HE ARG 123 HE ARG 123 7.811 -0.462 -0.462 944 1HH1 ARG 123 2HH1 ARG 123 10.061 -2.349 -2.349 945 2HH1 ARG 123 1HH1 ARG 123 10.347 -1.123 -1.123 946 1HH2 ARG 123 1HH2 ARG 123 8.127 1.141 1.141 947 2HH2 ARG 123 2HH2 ARG 123 9.188 0.904 0.904 948 H GLY 124 H GLY 124 6.317 -4.101 -4.101 949 1HA GLY 124 2HA GLY 124 6.311 -6.681 -6.681 950 2HA GLY 124 1HA GLY 124 6.612 -6.395 -6.395 951 H LEU 125 H LEU 125 4.208 -5.318 -5.318 952 HA LEU 125 HA LEU 125 2.622 -7.656 -7.656 953 1HB LEU 125 2HB LEU 125 2.448 -5.681 -5.681 954 2HB LEU 125 1HB LEU 125 1.907 -4.660 -4.660 955 HG LEU 125 HG LEU 125 0.253 -7.088 -7.088 956 1HD1 LEU 125 3HD1 LEU 125 0.627 -5.976 -5.976 957 2HD1 LEU 125 2HD1 LEU 125 0.045 -4.462 -4.462 958 3HD1 LEU 125 1HD1 LEU 125 -1.022 -5.843 -5.843 959 1HD2 LEU 125 1HD2 LEU 125 -0.441 -4.276 -4.276 960 2HD2 LEU 125 3HD2 LEU 125 -0.321 -5.672 -5.672 961 3HD2 LEU 125 2HD2 LEU 125 -1.521 -5.657 -5.657 962 H LEU 126 H LEU 126 1.952 -4.942 -4.942 963 HA LEU 126 HA LEU 126 -0.243 -6.081 -6.081 964 1HB LEU 126 2HB LEU 126 1.943 -4.209 -4.209 965 2HB LEU 126 1HB LEU 126 0.947 -4.879 -4.879 966 HG LEU 126 HG LEU 126 -1.020 -4.224 -4.224 967 1HD1 LEU 126 3HD1 LEU 126 1.085 -2.161 -2.161 968 2HD1 LEU 126 2HD1 LEU 126 -0.602 -2.158 -2.158 969 3HD1 LEU 126 1HD1 LEU 126 0.437 -3.317 -3.317 970 1HD2 LEU 126 2HD2 LEU 126 -0.894 -3.300 -3.300 971 2HD2 LEU 126 1HD2 LEU 126 -1.484 -2.265 -2.265 972 3HD2 LEU 126 3HD2 LEU 126 0.140 -2.038 -2.038 973 H SER 127 H SER 127 3.068 -6.474 -6.474 974 HA SER 127 HA SER 127 2.837 -8.270 -8.270 975 1HB SER 127 2HB SER 127 4.989 -8.229 -8.229 976 2HB SER 127 1HB SER 127 5.173 -8.903 -8.903 977 HG SER 127 HG SER 127 4.936 -6.223 -6.223 978 H ASN 128 H ASN 128 2.896 -8.906 -8.906 979 HA ASN 128 HA ASN 128 2.642 -11.784 -11.784 980 1HB ASN 128 2HB ASN 128 1.875 -9.796 -9.796 981 2HB ASN 128 1HB ASN 128 1.587 -11.508 -11.508 982 1HD2 ASN 128 2HD2 ASN 128 5.507 -10.446 -10.446 983 2HD2 ASN 128 1HD2 ASN 128 4.478 -9.610 -9.610 984 H VAL 129 H VAL 129 0.259 -9.111 -9.111 985 HA VAL 129 HA VAL 129 -1.860 -11.030 -11.030 986 HB VAL 129 HB VAL 129 -1.620 -8.091 -8.091 987 1HG1 VAL 129 1HG1 VAL 129 -4.210 -9.719 -9.719 988 2HG1 VAL 129 3HG1 VAL 129 -4.171 -7.977 -7.977 989 3HG1 VAL 129 2HG1 VAL 129 -3.445 -8.820 -8.820 990 1HG2 VAL 129 2HG2 VAL 129 -3.224 -9.909 -9.909 991 2HG2 VAL 129 1HG2 VAL 129 -1.760 -9.044 -9.044 992 3HG2 VAL 129 3HG2 VAL 129 -3.252 -8.148 -8.148 993 H LEU 130 H LEU 130 -1.037 -8.991 -8.991 994 HA LEU 130 HA LEU 130 -2.624 -10.341 -10.341 995 1HB LEU 130 2HB LEU 130 -0.155 -8.664 -8.664 996 2HB LEU 130 1HB LEU 130 -0.581 -9.628 -9.628 997 HG LEU 130 HG LEU 130 -1.580 -7.115 -7.115 998 1HD1 LEU 130 2HD1 LEU 130 -2.042 -8.789 -8.789 999 2HD1 LEU 130 1HD1 LEU 130 -3.284 -9.447 -9.447 1000 3HD1 LEU 130 3HD1 LEU 130 -3.392 -7.806 -7.806 1001 1HD2 LEU 130 3HD2 LEU 130 -2.841 -7.673 -7.673 1002 2HD2 LEU 130 2HD2 LEU 130 -3.854 -7.093 -7.093 1003 3HD2 LEU 130 1HD2 LEU 130 -3.819 -8.791 -8.791 1004 H CYS 131 H CYS 131 0.663 -11.293 -11.293 1005 HA CYS 131 HA CYS 131 0.904 -13.238 -13.238 1006 1HB CYS 131 2HB CYS 131 2.738 -12.445 -12.445 1007 2HB CYS 131 1HB CYS 131 2.074 -13.625 -13.625 1008 H ARG 132 H ARG 132 -0.405 -13.383 -13.383 1009 HA ARG 132 HA ARG 132 -1.089 -16.178 -16.178 1010 1HB ARG 132 2HB ARG 132 -0.936 -15.119 -15.119 1011 2HB ARG 132 1HB ARG 132 -2.309 -14.109 -14.109 1012 1HG ARG 132 2HG ARG 132 -3.030 -16.053 -16.053 1013 2HG ARG 132 1HG ARG 132 -3.805 -16.082 -16.082 1014 1HD ARG 132 2HD ARG 132 -1.306 -17.719 -17.719 1015 2HD ARG 132 1HD ARG 132 -2.942 -18.378 -18.378 1016 HE ARG 132 HE ARG 132 -3.023 -17.440 -17.440 1017 1HH1 ARG 132 2HH1 ARG 132 -0.543 -19.246 -19.246 1018 2HH1 ARG 132 1HH1 ARG 132 0.005 -20.036 -20.036 1019 1HH2 ARG 132 1HH2 ARG 132 -2.348 -18.261 -18.261 1020 2HH2 ARG 132 2HH2 ARG 132 -1.084 -19.414 -19.414 1021 H LEU 133 H LEU 133 -2.920 -13.167 -13.167 1022 HA LEU 133 HA LEU 133 -4.977 -14.563 -14.563 1023 1HB LEU 133 2HB LEU 133 -6.647 -13.000 -13.000 1024 2HB LEU 133 1HB LEU 133 -5.928 -13.972 -13.972 1025 HG LEU 133 HG LEU 133 -4.361 -11.568 -11.568 1026 1HD1 LEU 133 3HD1 LEU 133 -7.364 -11.056 -11.056 1027 2HD1 LEU 133 2HD1 LEU 133 -6.084 -9.882 -9.882 1028 3HD1 LEU 133 1HD1 LEU 133 -6.353 -10.529 -10.529 1029 1HD2 LEU 133 1HD2 LEU 133 -4.786 -13.073 -13.073 1030 2HD2 LEU 133 3HD2 LEU 133 -5.155 -11.416 -11.416 1031 3HD2 LEU 133 2HD2 LEU 133 -6.462 -12.538 -12.538 1032 H CYS 134 H CYS 134 -4.073 -13.946 -13.946 1033 HA CYS 134 HA CYS 134 -3.472 -11.211 -11.211 1034 1HB CYS 134 2HB CYS 134 -3.516 -11.849 -11.849 1035 2HB CYS 134 1HB CYS 134 -2.572 -12.927 -12.927 1036 H ASN 135 H ASN 135 -6.095 -12.989 -12.989 1037 HA ASN 135 HA ASN 135 -7.861 -10.567 -10.567 1038 1HB ASN 135 2HB ASN 135 -7.559 -11.640 -11.640 1039 2HB ASN 135 1HB ASN 135 -8.587 -12.913 -12.913 1040 1HD2 ASN 135 2HD2 ASN 135 -10.378 -9.497 -9.497 1041 2HD2 ASN 135 1HD2 ASN 135 -8.721 -9.699 -9.699 1042 H LYS 136 H LYS 136 -8.018 -14.076 -14.076 1043 HA LYS 136 HA LYS 136 -9.610 -14.175 -14.175 1044 1HB LYS 136 2HB LYS 136 -10.425 -15.646 -15.646 1045 2HB LYS 136 1HB LYS 136 -11.226 -15.763 -15.763 1046 1HG LYS 136 2HG LYS 136 -11.847 -13.338 -13.338 1047 2HG LYS 136 1HG LYS 136 -10.990 -13.265 -13.265 1048 1HD LYS 136 2HD LYS 136 -12.578 -14.771 -14.771 1049 2HD LYS 136 1HD LYS 136 -13.350 -15.176 -15.176 1050 1HE LYS 136 2HE LYS 136 -14.615 -13.494 -13.494 1051 2HE LYS 136 1HE LYS 136 -14.369 -12.998 -12.998 1052 1HZ LYS 136 3HZ LYS 136 -12.120 -12.180 -12.180 1053 2HZ LYS 136 2HZ LYS 136 -13.461 -11.696 -11.696 1054 3HZ LYS 136 1HZ LYS 136 -13.254 -11.205 -11.205 1055 H TYR 137 H TYR 137 -7.120 -14.409 -14.409 1056 HA TYR 137 HA TYR 137 -5.324 -15.806 -15.806 1057 1HB TYR 137 2HB TYR 137 -7.266 -18.155 -18.155 1058 2HB TYR 137 1HB TYR 137 -5.853 -17.971 -17.971 1059 HD1 TYR 137 HD1 TYR 137 -5.935 -15.970 -15.970 1060 HD2 TYR 137 HD2 TYR 137 -9.397 -17.496 -17.496 1061 HE1 TYR 137 HE1 TYR 137 -7.366 -15.086 -15.086 1062 HE2 TYR 137 HE2 TYR 137 -10.799 -16.630 -16.630 1063 HH TYR 137 HH TYR 137 -9.885 -15.993 -15.993 1064 H ARG 138 H ARG 138 -7.230 -17.284 -17.284 1065 HA ARG 138 HA ARG 138 -4.626 -17.623 -17.623 1066 1HB ARG 138 2HB ARG 138 -5.789 -19.870 -19.870 1067 2HB ARG 138 1HB ARG 138 -4.873 -19.816 -19.816 1068 1HG ARG 138 2HG ARG 138 -6.632 -20.751 -20.751 1069 2HG ARG 138 1HG ARG 138 -7.473 -19.233 -19.233 1070 1HD ARG 138 2HD ARG 138 -7.567 -21.300 -21.300 1071 2HD ARG 138 1HD ARG 138 -8.713 -21.295 -21.295 1072 HE ARG 138 HE ARG 138 -8.323 -19.175 -19.175 1073 1HH1 ARG 138 2HH1 ARG 138 -10.226 -20.531 -20.531 1074 2HH1 ARG 138 1HH1 ARG 138 -11.657 -19.663 -19.663 1075 1HH2 ARG 138 1HH2 ARG 138 -10.136 -17.968 -17.968 1076 2HH2 ARG 138 2HH2 ARG 138 -11.598 -18.141 -18.141 1077 H VAL 139 H VAL 139 -5.331 -15.643 -15.643 1078 HA VAL 139 HA VAL 139 -6.844 -16.257 -16.257 1079 HB VAL 139 HB VAL 139 -7.559 -13.777 -13.777 1080 1HG1 VAL 139 2HG1 VAL 139 -8.091 -13.765 -13.765 1081 2HG1 VAL 139 1HG1 VAL 139 -8.984 -15.270 -15.270 1082 3HG1 VAL 139 3HG1 VAL 139 -9.576 -13.808 -13.808 1083 1HG2 VAL 139 3HG2 VAL 139 -9.040 -16.412 -16.412 1084 2HG2 VAL 139 2HG2 VAL 139 -8.196 -15.629 -15.629 1085 3HG2 VAL 139 1HG2 VAL 139 -9.636 -14.887 -14.887 1086 H GLY 140 H GLY 140 -5.584 -13.532 -13.532 1087 1HA GLY 140 2HA GLY 140 -3.452 -13.005 -13.005 1088 2HA GLY 140 1HA GLY 140 -4.834 -12.055 -12.055 1089 H HIS 141 H HIS 141 -5.827 -10.806 -10.806 1090 HA HIS 141 HA HIS 141 -4.198 -9.888 -9.888 1091 1HB HIS 141 2HB HIS 141 -2.977 -8.889 -8.889 1092 2HB HIS 141 1HB HIS 141 -4.483 -8.076 -8.076 1093 HD1 HIS 141 HD1 HIS 141 -2.015 -6.596 -6.596 1094 HD2 HIS 141 HD2 HIS 141 -4.450 -6.859 -6.859 1095 HE1 HIS 141 HE1 HIS 141 -1.501 -4.646 -4.646 1096 H VAL 142 H VAL 142 -5.488 -8.307 -8.307 1097 HA VAL 142 HA VAL 142 -8.360 -8.648 -8.648 1098 HB VAL 142 HB VAL 142 -7.892 -8.749 -8.749 1099 1HG1 VAL 142 1HG1 VAL 142 -5.769 -6.524 -6.524 1100 2HG1 VAL 142 3HG1 VAL 142 -6.176 -7.398 -7.398 1101 3HG1 VAL 142 2HG1 VAL 142 -5.404 -8.241 -8.241 1102 1HG2 VAL 142 1HG2 VAL 142 -9.391 -6.830 -6.830 1103 2HG2 VAL 142 3HG2 VAL 142 -8.344 -6.600 -6.600 1104 3HG2 VAL 142 2HG2 VAL 142 -7.984 -5.761 -5.761 1105 H ASP 143 H ASP 143 -5.989 -6.645 -6.645 1106 HA ASP 143 HA ASP 143 -5.729 -4.700 -4.700 1107 1HB ASP 143 2HB ASP 143 -8.745 -4.904 -4.904 1108 2HB ASP 143 1HB ASP 143 -7.627 -4.024 -4.024 1109 H VAL 144 H VAL 144 -5.531 -2.695 -2.695 1110 HA VAL 144 HA VAL 144 -7.366 -1.445 -1.445 1111 HB VAL 144 HB VAL 144 -5.703 -2.468 -2.468 1112 1HG1 VAL 144 2HG1 VAL 144 -3.540 -1.298 -1.298 1113 2HG1 VAL 144 1HG1 VAL 144 -3.256 -2.166 -2.166 1114 3HG1 VAL 144 3HG1 VAL 144 -3.972 -2.995 -2.995 1115 1HG2 VAL 144 3HG2 VAL 144 -6.179 -0.108 -0.108 1116 2HG2 VAL 144 2HG2 VAL 144 -4.516 -0.531 -0.531 1117 3HG2 VAL 144 1HG2 VAL 144 -4.873 0.443 0.443 1118 HA PRO 145 HA PRO 145 -6.234 1.867 1.867 1119 1HB PRO 145 2HB PRO 145 -8.523 3.216 3.216 1120 2HB PRO 145 1HB PRO 145 -8.390 1.640 1.640 1121 1HG PRO 145 2HG PRO 145 -9.476 2.276 2.276 1122 2HG PRO 145 1HG PRO 145 -10.248 1.313 1.313 1123 1HD PRO 145 2HD PRO 145 -8.742 0.181 0.181 1124 2HD PRO 145 1HD PRO 145 -8.867 -0.585 -0.585 1125 HA PRO 146 HA PRO 146 -5.132 4.292 4.292 1126 1HB PRO 146 2HB PRO 146 -2.893 5.509 5.509 1127 2HB PRO 146 1HB PRO 146 -2.873 3.826 3.826 1128 1HG PRO 146 2HG PRO 146 -3.345 4.899 4.899 1129 2HG PRO 146 1HG PRO 146 -2.150 3.699 3.699 1130 1HD PRO 146 2HD PRO 146 -4.491 2.845 2.845 1131 2HD PRO 146 1HD PRO 146 -3.836 2.028 2.028 1132 H VAL 147 H VAL 147 -7.252 5.378 5.378 1133 HA VAL 147 HA VAL 147 -6.717 8.095 8.095 1134 HB VAL 147 HB VAL 147 -9.134 8.079 8.079 1135 1HG1 VAL 147 2HG1 VAL 147 -7.375 7.227 7.227 1136 2HG1 VAL 147 1HG1 VAL 147 -7.545 5.616 5.616 1137 3HG1 VAL 147 3HG1 VAL 147 -8.873 6.342 6.342 1138 1HG2 VAL 147 1HG2 VAL 147 -10.016 6.517 6.517 1139 2HG2 VAL 147 3HG2 VAL 147 -10.428 5.962 5.962 1140 3HG2 VAL 147 2HG2 VAL 147 -9.130 5.186 5.186 1141 HA PRO 148 HA PRO 148 -8.288 9.373 9.373 1142 1HB PRO 148 2HB PRO 148 -6.124 9.782 9.782 1143 2HB PRO 148 1HB PRO 148 -6.593 8.111 8.111 1144 1HG PRO 148 2HG PRO 148 -4.495 9.839 9.839 1145 2HG PRO 148 1HG PRO 148 -4.298 8.186 8.186 1146 1HD PRO 148 2HD PRO 148 -5.047 8.822 8.822 1147 2HD PRO 148 1HD PRO 148 -5.387 7.277 7.277 1148 H ASP 149 H ASP 149 -7.629 11.598 11.598 1149 HA ASP 149 HA ASP 149 -6.249 13.676 13.676 1150 1HB ASP 149 2HB ASP 149 -7.993 13.680 13.680 1151 2HB ASP 149 1HB ASP 149 -9.247 13.857 13.857 1152 H HIS 150 H HIS 150 -6.345 14.994 14.994 1153 HA HIS 150 HA HIS 150 -8.359 14.866 14.866 1154 1HB HIS 150 2HB HIS 150 -5.387 15.507 15.507 1155 2HB HIS 150 1HB HIS 150 -6.595 15.018 15.018 1156 HD1 HIS 150 HD1 HIS 150 -5.526 13.157 13.157 1157 HD2 HIS 150 HD2 HIS 150 -5.607 12.628 12.628 1158 HE1 HIS 150 HE1 HIS 150 -4.731 10.865 10.865 1159 H SER 151 H SER 151 -8.407 16.711 16.711 1160 HA SER 151 HA SER 151 -7.345 19.265 19.265 1161 1HB SER 151 2HB SER 151 -8.857 18.655 18.655 1162 2HB SER 151 1HB SER 151 -7.895 20.092 20.092 1163 HG SER 151 HG SER 151 -7.088 17.558 17.558 1164 H ASP 152 H ASP 152 -9.243 18.481 18.481 1165 HA ASP 152 HA ASP 152 -11.712 20.039 20.039 1166 1HB ASP 152 2HB ASP 152 -11.249 18.435 18.435 1167 2HB ASP 152 1HB ASP 152 -12.763 19.119 19.119 1168 H LYS 153 H LYS 153 -8.858 20.039 20.039 1169 HA LYS 153 HA LYS 153 -9.558 22.702 22.702 1170 1HB LYS 153 2HB LYS 153 -8.134 20.446 20.446 1171 2HB LYS 153 1HB LYS 153 -8.859 21.900 21.900 1172 1HG LYS 153 2HG LYS 153 -11.121 21.106 21.106 1173 2HG LYS 153 1HG LYS 153 -10.360 19.586 19.586 1174 1HD LYS 153 2HD LYS 153 -9.788 19.194 19.194 1175 2HD LYS 153 1HD LYS 153 -10.713 20.611 20.611 1176 1HE LYS 153 2HE LYS 153 -11.752 18.012 18.012 1177 2HE LYS 153 1HE LYS 153 -12.172 18.638 18.638 1178 1HZ LYS 153 3HZ LYS 153 -12.838 20.575 20.575 1179 2HZ LYS 153 2HZ LYS 153 -13.471 19.075 19.075 1180 3HZ LYS 153 1HZ LYS 153 -13.894 19.740 19.740 1181 H GLU 154 H GLU 154 -7.651 24.120 24.120 1182 HA GLU 154 HA GLU 154 -5.577 23.147 23.147 1183 1HB GLU 154 2HB GLU 154 -6.098 25.932 25.932 1184 2HB GLU 154 1HB GLU 154 -5.007 25.541 25.541 1185 1HG GLU 154 2HG GLU 154 -6.870 24.801 24.801 1186 2HG GLU 154 1HG GLU 154 -8.006 24.903 24.903 1187 H VAL 155 H VAL 155 -4.699 25.551 25.551 1188 HA VAL 155 HA VAL 155 -2.128 24.668 24.668 1189 HB VAL 155 HB VAL 155 -2.391 25.877 25.877 1190 1HG1 VAL 155 1HG1 VAL 155 -1.990 27.175 27.175 1191 2HG1 VAL 155 3HG1 VAL 155 -3.715 27.269 27.269 1192 3HG1 VAL 155 2HG1 VAL 155 -3.024 28.081 28.081 1193 1HG2 VAL 155 2HG2 VAL 155 -5.350 26.118 26.118 1194 2HG2 VAL 155 1HG2 VAL 155 -4.744 25.168 25.168 1195 3HG2 VAL 155 3HG2 VAL 155 -4.563 26.903 26.903 1196 H PHE 156 H PHE 156 -5.084 23.722 23.722 1197 HA PHE 156 HA PHE 156 -4.474 21.856 21.856 1198 1HB PHE 156 2HB PHE 156 -6.725 21.819 21.819 1199 2HB PHE 156 1HB PHE 156 -6.819 21.028 21.028 1200 HD1 PHE 156 HD1 PHE 156 -6.224 22.827 22.827 1201 HD2 PHE 156 HD2 PHE 156 -7.855 23.844 23.844 1202 HE1 PHE 156 HE1 PHE 156 -7.120 24.919 24.919 1203 HE2 PHE 156 HE2 PHE 156 -8.739 25.921 25.921 1204 HZ PHE 156 HZ PHE 156 -8.380 26.476 26.476 1205 H GLN 157 H GLN 157 -5.336 21.096 21.096 1206 HA GLN 157 HA GLN 157 -4.613 18.390 18.390 1207 1HB GLN 157 2HB GLN 157 -5.844 19.298 19.298 1208 2HB GLN 157 1HB GLN 157 -4.591 20.440 20.440 1209 1HG GLN 157 2HG GLN 157 -4.104 17.439 17.439 1210 2HG GLN 157 1HG GLN 157 -4.867 18.367 18.367 1211 1HE2 GLN 157 2HE2 GLN 157 -1.282 18.393 18.393 1212 2HE2 GLN 157 1HE2 GLN 157 -2.510 17.218 17.218 1213 H LYS 158 H LYS 158 -2.476 21.120 21.120 1214 HA LYS 158 HA LYS 158 -0.275 19.391 19.391 1215 1HB LYS 158 2HB LYS 158 -0.449 21.938 21.938 1216 2HB LYS 158 1HB LYS 158 0.049 22.148 22.148 1217 1HG LYS 158 2HG LYS 158 2.181 20.877 20.877 1218 2HG LYS 158 1HG LYS 158 1.636 20.640 20.640 1219 1HD LYS 158 2HD LYS 158 1.550 23.155 23.155 1220 2HD LYS 158 1HD LYS 158 2.227 23.314 23.314 1221 1HE LYS 158 2HE LYS 158 4.271 22.034 22.034 1222 2HE LYS 158 1HE LYS 158 3.577 21.878 21.878 1223 1HZ LYS 158 2HZ LYS 158 3.504 24.617 24.617 1224 2HZ LYS 158 1HZ LYS 158 5.036 24.013 24.013 1225 3HZ LYS 158 3HZ LYS 158 4.431 23.884 23.884 1226 H LYS 159 H LYS 159 -0.963 20.999 20.999 1227 HA LYS 159 HA LYS 159 1.105 19.710 19.710 1228 1HB LYS 159 2HB LYS 159 -1.486 21.160 21.160 1229 2HB LYS 159 1HB LYS 159 -0.515 20.462 20.462 1230 1HG LYS 159 2HG LYS 159 1.185 22.053 22.053 1231 2HG LYS 159 1HG LYS 159 0.975 22.185 22.185 1232 1HD LYS 159 2HD LYS 159 -0.721 23.791 23.791 1233 2HD LYS 159 1HD LYS 159 -1.220 23.319 23.319 1234 1HE LYS 159 2HE LYS 159 1.514 24.558 24.558 1235 2HE LYS 159 1HE LYS 159 0.109 25.518 25.518 1236 1HZ LYS 159 1HZ LYS 159 0.238 23.490 23.490 1237 2HZ LYS 159 3HZ LYS 159 1.807 24.022 24.022 1238 3HZ LYS 159 2HZ LYS 159 0.530 25.095 25.095 1239 H LYS 160 H LYS 160 -2.223 19.101 19.101 1240 HA LYS 160 HA LYS 160 -2.156 16.564 16.564 1241 1HB LYS 160 2HB LYS 160 -4.534 17.901 17.901 1242 2HB LYS 160 1HB LYS 160 -4.683 16.520 16.520 1243 1HG LYS 160 2HG LYS 160 -5.493 18.673 18.673 1244 2HG LYS 160 1HG LYS 160 -4.572 17.742 17.742 1245 1HD LYS 160 2HD LYS 160 -2.565 19.177 19.177 1246 2HD LYS 160 1HD LYS 160 -3.678 20.233 20.233 1247 1HE LYS 160 2HE LYS 160 -4.910 20.670 20.670 1248 2HE LYS 160 1HE LYS 160 -4.050 19.489 19.489 1249 1HZ LYS 160 3HZ LYS 160 -2.266 21.372 21.372 1250 2HZ LYS 160 2HZ LYS 160 -3.414 22.105 22.105 1251 3HZ LYS 160 1HZ LYS 160 -2.428 20.909 20.909 1252 H LEU 161 H LEU 161 -1.442 17.088 17.088 1253 HA LEU 161 HA LEU 161 -2.842 15.431 15.431 1254 1HB LEU 161 2HB LEU 161 -0.196 16.448 16.448 1255 2HB LEU 161 1HB LEU 161 0.052 14.735 14.735 1256 HG LEU 161 HG LEU 161 -1.839 16.318 16.318 1257 1HD1 LEU 161 2HD1 LEU 161 0.521 17.005 17.005 1258 2HD1 LEU 161 1HD1 LEU 161 0.990 15.324 15.324 1259 3HD1 LEU 161 3HD1 LEU 161 -0.079 16.076 16.076 1260 1HD2 LEU 161 1HD2 LEU 161 -2.391 13.847 13.847 1261 2HD2 LEU 161 3HD2 LEU 161 -1.787 14.280 14.280 1262 3HD2 LEU 161 2HD2 LEU 161 -0.738 13.466 13.466 1263 H GLY 162 H GLY 162 -0.874 14.424 14.424 1264 1HA GLY 162 2HA GLY 162 -1.586 11.568 11.568 1265 2HA GLY 162 1HA GLY 162 -0.308 12.140 12.140 1266 H CYS 163 H CYS 163 -1.841 14.146 14.146 1267 HA CYS 163 HA CYS 163 -2.951 12.632 12.632 1268 1HB CYS 163 2HB CYS 163 -2.725 14.713 14.713 1269 2HB CYS 163 1HB CYS 163 -2.685 15.330 15.330 1270 H GLN 164 H GLN 164 -4.915 14.114 14.114 1271 HA GLN 164 HA GLN 164 -7.378 13.170 13.170 1272 1HB GLN 164 2HB GLN 164 -6.565 13.310 13.310 1273 2HB GLN 164 1HB GLN 164 -8.161 12.830 12.830 1274 1HG GLN 164 2HG GLN 164 -8.075 15.182 15.182 1275 2HG GLN 164 1HG GLN 164 -6.939 15.625 15.625 1276 1HE2 GLN 164 2HE2 GLN 164 -9.666 15.946 15.946 1277 2HE2 GLN 164 1HE2 GLN 164 -8.055 16.377 16.377 1278 H LEU 165 H LEU 165 -4.754 11.521 11.521 1279 HA LEU 165 HA LEU 165 -6.192 8.957 8.957 1280 1HB LEU 165 2HB LEU 165 -3.194 9.338 9.338 1281 2HB LEU 165 1HB LEU 165 -4.244 8.085 8.085 1282 HG LEU 165 HG LEU 165 -4.297 10.999 10.999 1283 1HD1 LEU 165 2HD1 LEU 165 -2.378 9.693 9.693 1284 2HD1 LEU 165 1HD1 LEU 165 -3.487 8.458 8.458 1285 3HD1 LEU 165 3HD1 LEU 165 -3.534 10.089 10.089 1286 1HD2 LEU 165 3HD2 LEU 165 -6.003 8.624 8.624 1287 2HD2 LEU 165 2HD2 LEU 165 -6.587 10.015 10.015 1288 3HD2 LEU 165 1HD2 LEU 165 -5.997 10.200 10.200 1289 H LEU 166 H LEU 166 -3.136 10.076 10.076 1290 HA LEU 166 HA LEU 166 -3.135 7.844 7.844 1291 1HB LEU 166 2HB LEU 166 -2.463 10.702 10.702 1292 2HB LEU 166 1HB LEU 166 -2.458 9.637 9.637 1293 HG LEU 166 HG LEU 166 -0.177 9.762 9.762 1294 1HD1 LEU 166 2HD1 LEU 166 -1.558 7.008 7.008 1295 2HD1 LEU 166 1HD1 LEU 166 0.128 7.248 7.248 1296 3HD1 LEU 166 3HD1 LEU 166 -0.794 7.728 7.728 1297 1HD2 LEU 166 3HD2 LEU 166 -0.910 10.021 10.021 1298 2HD2 LEU 166 2HD2 LEU 166 0.149 8.635 8.635 1299 3HD2 LEU 166 1HD2 LEU 166 -1.571 8.385 8.385 1300 H GLY 167 H GLY 167 -5.361 10.517 10.517 1301 1HA GLY 167 2HA GLY 167 -6.493 9.884 9.884 1302 2HA GLY 167 1HA GLY 167 -7.360 10.663 10.663 1303 H THR 168 H THR 168 -7.546 8.946 8.946 1304 HA THR 168 HA THR 168 -9.592 6.939 6.939 1305 HB THR 168 HB THR 168 -9.085 6.421 6.421 1306 HG1 THR 168 HG1 THR 168 -8.105 8.995 8.995 1307 1HG2 THR 168 3HG2 THR 168 -10.112 9.199 9.199 1308 2HG2 THR 168 2HG2 THR 168 -10.363 8.268 8.268 1309 3HG2 THR 168 1HG2 THR 168 -11.030 7.689 7.689 1310 H TYR 169 H TYR 169 -6.635 6.809 6.809 1311 HA TYR 169 HA TYR 169 -5.893 4.219 4.219 1312 1HB TYR 169 2HB TYR 169 -4.356 5.995 5.995 1313 2HB TYR 169 1HB TYR 169 -4.241 6.454 6.454 1314 HD1 TYR 169 HD1 TYR 169 -2.845 5.328 5.328 1315 HD2 TYR 169 HD2 TYR 169 -3.112 3.946 3.946 1316 HE1 TYR 169 HE1 TYR 169 -0.824 3.990 3.990 1317 HE2 TYR 169 HE2 TYR 169 -1.094 2.643 2.643 1318 HH TYR 169 HH TYR 169 0.963 3.437 3.437 1319 H LYS 170 H LYS 170 -5.548 6.122 6.122 1320 HA LYS 170 HA LYS 170 -4.731 3.783 3.783 1321 1HB LYS 170 2HB LYS 170 -4.277 5.997 5.997 1322 2HB LYS 170 1HB LYS 170 -5.930 6.478 6.478 1323 1HG LYS 170 2HG LYS 170 -5.528 4.087 4.087 1324 2HG LYS 170 1HG LYS 170 -4.625 5.474 5.474 1325 1HD LYS 170 2HD LYS 170 -7.636 5.488 5.488 1326 2HD LYS 170 1HD LYS 170 -6.898 5.254 5.254 1327 1HE LYS 170 2HE LYS 170 -7.414 7.568 7.568 1328 2HE LYS 170 1HE LYS 170 -5.696 7.517 7.517 1329 1HZ LYS 170 2HZ LYS 170 -7.220 7.494 7.494 1330 2HZ LYS 170 1HZ LYS 170 -7.651 8.749 8.749 1331 3HZ LYS 170 3HZ LYS 170 -6.031 8.571 8.571 1332 H GLN 171 H GLN 171 -7.854 5.430 5.430 1333 HA GLN 171 HA GLN 171 -9.377 3.534 3.534 1334 1HB GLN 171 2HB GLN 171 -10.001 5.555 5.555 1335 2HB GLN 171 1HB GLN 171 -11.257 4.425 4.425 1336 1HG GLN 171 2HG GLN 171 -9.827 6.011 6.011 1337 2HG GLN 171 1HG GLN 171 -11.216 6.651 6.651 1338 1HE2 GLN 171 2HE2 GLN 171 -11.989 4.051 4.051 1339 2HE2 GLN 171 1HE2 GLN 171 -10.468 4.797 4.797 1340 H VAL 172 H VAL 172 -8.611 3.402 3.402 1341 HA VAL 172 HA VAL 172 -10.227 0.989 0.989 1342 HB VAL 172 HB VAL 172 -9.620 1.520 1.520 1343 1HG1 VAL 172 2HG1 VAL 172 -10.100 4.031 4.031 1344 2HG1 VAL 172 1HG1 VAL 172 -10.355 3.938 3.938 1345 3HG1 VAL 172 3HG1 VAL 172 -11.328 2.958 2.958 1346 1HG2 VAL 172 3HG2 VAL 172 -7.605 3.390 3.390 1347 2HG2 VAL 172 2HG2 VAL 172 -7.204 1.903 1.903 1348 3HG2 VAL 172 1HG2 VAL 172 -7.971 3.222 3.222 1349 H ILE 173 H ILE 173 -6.724 1.864 1.864 1350 HA ILE 173 HA ILE 173 -5.612 -0.628 -0.628 1351 HB ILE 173 HB ILE 173 -4.764 1.653 1.653 1352 1HG1 ILE 173 2HG1 ILE 173 -4.582 1.641 1.641 1353 2HG1 ILE 173 1HG1 ILE 173 -3.133 2.042 2.042 1354 1HG2 ILE 173 2HG2 ILE 173 -3.243 -0.887 -0.887 1355 2HG2 ILE 173 1HG2 ILE 173 -2.583 0.660 0.660 1356 3HG2 ILE 173 3HG2 ILE 173 -3.868 -0.112 -0.112 1357 1HD1 ILE 173 2HD1 ILE 173 -3.754 -0.769 -0.769 1358 2HD1 ILE 173 1HD1 ILE 173 -2.747 0.403 0.403 1359 3HD1 ILE 173 3HD1 ILE 173 -2.249 -0.237 -0.237 1360 H SER 174 H SER 174 -6.894 0.706 0.706 1361 HA SER 174 HA SER 174 -6.372 -1.481 -1.481 1362 1HB SER 174 2HB SER 174 -8.751 -0.517 -0.517 1363 2HB SER 174 1HB SER 174 -7.192 0.261 0.261 1364 HG SER 174 HG SER 174 -9.199 0.932 0.932 1365 H VAL 175 H VAL 175 -8.385 -1.380 -1.380 1366 HA VAL 175 HA VAL 175 -10.119 -3.631 -3.631 1367 HB VAL 175 HB VAL 175 -10.363 -1.824 -1.824 1368 1HG1 VAL 175 1HG1 VAL 175 -12.236 -3.960 -3.960 1369 2HG1 VAL 175 3HG1 VAL 175 -12.607 -2.830 -2.830 1370 3HG1 VAL 175 2HG1 VAL 175 -11.318 -4.003 -4.003 1371 1HG2 VAL 175 1HG2 VAL 175 -10.711 -0.612 -0.612 1372 2HG2 VAL 175 3HG2 VAL 175 -12.222 -0.775 -0.775 1373 3HG2 VAL 175 2HG2 VAL 175 -11.888 -1.812 -1.812 1374 H VAL 176 H VAL 176 -7.658 -2.609 -2.609 1375 HA VAL 176 HA VAL 176 -8.190 -5.047 -5.047 1376 HB VAL 176 HB VAL 176 -6.455 -4.443 -4.443 1377 1HG1 VAL 176 1HG1 VAL 176 -8.597 -3.316 -3.316 1378 2HG1 VAL 176 3HG1 VAL 176 -8.053 -2.053 -2.053 1379 3HG1 VAL 176 2HG1 VAL 176 -7.367 -2.204 -2.204 1380 1HG2 VAL 176 1HG2 VAL 176 -5.874 -2.422 -2.422 1381 2HG2 VAL 176 3HG2 VAL 176 -4.758 -3.649 -3.649 1382 3HG2 VAL 176 2HG2 VAL 176 -5.173 -2.302 -2.302 1383 H VAL 177 H VAL 177 -5.968 -3.745 -3.745 1384 HA VAL 177 HA VAL 177 -3.969 -5.776 -5.776 1385 HB VAL 177 HB VAL 177 -4.103 -3.249 -3.249 1386 1HG1 VAL 177 3HG1 VAL 177 -6.039 -3.433 -3.433 1387 2HG1 VAL 177 2HG1 VAL 177 -5.150 -4.521 -4.521 1388 3HG1 VAL 177 1HG1 VAL 177 -4.628 -2.859 -2.859 1389 1HG2 VAL 177 3HG2 VAL 177 -2.791 -5.309 -5.309 1390 2HG2 VAL 177 2HG2 VAL 177 -2.064 -4.582 -4.582 1391 3HG2 VAL 177 1HG2 VAL 177 -2.421 -3.601 -3.601 1392 H GLN 178 H GLN 178 -7.174 -5.333 -5.333 1393 HA GLN 178 HA GLN 178 -7.095 -7.781 -7.781 1394 1HB GLN 178 2HB GLN 178 -9.016 -5.423 -5.423 1395 2HB GLN 178 1HB GLN 178 -9.253 -6.884 -6.884 1396 1HG GLN 178 2HG GLN 178 -6.707 -6.333 -6.333 1397 2HG GLN 178 1HG GLN 178 -7.167 -4.722 -4.722 1398 1HE2 GLN 178 2HE2 GLN 178 -8.697 -6.119 -6.119 1399 2HE2 GLN 178 1HE2 GLN 178 -7.675 -7.105 -7.105 1400 H ALA 179 H ALA 179 -7.332 -7.369 -7.369 1401 HA ALA 179 HA ALA 179 -9.979 -8.655 -8.655 1402 1HB ALA 179 1HB ALA 179 -7.923 -7.430 -7.430 1403 2HB ALA 179 3HB ALA 179 -9.485 -8.045 -8.045 1404 3HB ALA 179 2HB ALA 179 -9.395 -6.634 -6.634 1405 H PHE 180 H PHE 180 -6.575 -8.735 -8.735 1406 HA PHE 180 HA PHE 180 -6.582 -11.665 -11.665 1407 1HB PHE 180 2HB PHE 180 -4.681 -11.208 -11.208 1408 2HB PHE 180 1HB PHE 180 -6.265 -10.662 -10.662 1409 HD1 PHE 180 HD2 PHE 180 -3.271 -9.252 -9.252 1410 HD2 PHE 180 HD1 PHE 180 -6.404 -8.539 -8.539 1411 HE1 PHE 180 HE2 PHE 180 -2.480 -6.999 -6.999 1412 HE2 PHE 180 HE1 PHE 180 -5.614 -6.356 -6.356 1413 HZ PHE 180 HZ PHE 180 -3.570 -5.577 -5.577 Start of MODEL 2 1 1H SER 1 3H SER 1 2.373 -19.278 -19.278 2 2H SER 1 2H SER 1 2.088 -20.750 -20.750 3 3H SER 1 1H SER 1 3.426 -19.794 -19.794 4 HA SER 1 HA SER 1 2.224 -18.719 -18.719 5 1HB SER 1 2HB SER 1 -0.473 -19.748 -19.748 6 2HB SER 1 1HB SER 1 0.744 -20.262 -20.262 7 HG SER 1 HG SER 1 0.534 -22.059 -22.059 8 HA PRO 2 HA PRO 2 -1.204 -16.363 -16.363 9 1HB PRO 2 2HB PRO 2 -2.487 -17.086 -17.086 10 2HB PRO 2 1HB PRO 2 -2.740 -17.998 -17.998 11 1HG PRO 2 2HG PRO 2 -0.785 -18.620 -18.620 12 2HG PRO 2 1HG PRO 2 -1.991 -19.701 -19.701 13 1HD PRO 2 2HD PRO 2 0.625 -19.732 -19.732 14 2HD PRO 2 1HD PRO 2 -0.702 -20.068 -20.068 15 H LEU 3 H LEU 3 1.174 -15.439 -15.439 16 HA LEU 3 HA LEU 3 1.340 -14.460 -14.460 17 1HB LEU 3 2HB LEU 3 3.748 -13.939 -13.939 18 2HB LEU 3 1HB LEU 3 3.350 -15.626 -15.626 19 HG LEU 3 HG LEU 3 3.184 -14.486 -14.486 20 1HD1 LEU 3 3HD1 LEU 3 5.842 -15.056 -15.056 21 2HD1 LEU 3 2HD1 LEU 3 5.646 -14.682 -14.682 22 3HD1 LEU 3 1HD1 LEU 3 5.264 -13.474 -13.474 23 1HD2 LEU 3 1HD2 LEU 3 2.776 -16.920 -16.920 24 2HD2 LEU 3 3HD2 LEU 3 4.116 -16.730 -16.730 25 3HD2 LEU 3 2HD2 LEU 3 4.427 -17.044 -17.044 26 HA PRO 4 HA PRO 4 0.555 -10.535 -10.535 27 1HB PRO 4 2HB PRO 4 -1.381 -9.558 -9.558 28 2HB PRO 4 1HB PRO 4 -1.791 -10.673 -10.673 29 1HG PRO 4 2HG PRO 4 -1.170 -11.338 -11.338 30 2HG PRO 4 1HG PRO 4 -2.594 -11.816 -11.816 31 1HD PRO 4 2HD PRO 4 -0.505 -13.527 -13.527 32 2HD PRO 4 1HD PRO 4 -1.335 -13.410 -13.410 33 H ILE 5 H ILE 5 0.620 -8.305 -8.305 34 HA ILE 5 HA ILE 5 2.557 -8.417 -8.417 35 HB ILE 5 HB ILE 5 3.545 -6.309 -6.309 36 1HG1 ILE 5 2HG1 ILE 5 1.518 -5.803 -5.803 37 2HG1 ILE 5 1HG1 ILE 5 3.111 -5.535 -5.535 38 1HG2 ILE 5 3HG2 ILE 5 3.718 -8.858 -8.858 39 2HG2 ILE 5 2HG2 ILE 5 4.871 -7.535 -7.535 40 3HG2 ILE 5 1HG2 ILE 5 4.688 -8.461 -8.461 41 1HD1 ILE 5 3HD1 ILE 5 1.385 -7.989 -7.989 42 2HD1 ILE 5 2HD1 ILE 5 1.664 -6.602 -6.602 43 3HD1 ILE 5 1HD1 ILE 5 2.988 -7.668 -7.668 44 H THR 6 H THR 6 0.301 -8.356 -8.356 45 HA THR 6 HA THR 6 -0.620 -5.547 -5.547 46 HB THR 6 HB THR 6 -2.831 -6.884 -6.884 47 HG1 THR 6 HG1 THR 6 -2.560 -8.969 -8.969 48 1HG2 THR 6 3HG2 THR 6 -1.733 -7.202 -7.202 49 2HG2 THR 6 2HG2 THR 6 -3.427 -7.218 -7.218 50 3HG2 THR 6 1HG2 THR 6 -2.502 -5.727 -5.727 51 HA PRO 7 HA PRO 7 0.320 -5.410 -5.410 52 1HB PRO 7 2HB PRO 7 -1.412 -3.571 -3.571 53 2HB PRO 7 1HB PRO 7 -0.266 -3.130 -3.130 54 1HG PRO 7 2HG PRO 7 -3.173 -4.071 -4.071 55 2HG PRO 7 1HG PRO 7 -2.453 -2.585 -2.585 56 1HD PRO 7 2HD PRO 7 -2.596 -4.806 -4.806 57 2HD PRO 7 1HD PRO 7 -1.164 -3.756 -3.756 58 H VAL 8 H VAL 8 -0.491 -7.732 -7.732 59 HA VAL 8 HA VAL 8 -2.864 -8.124 -8.124 60 HB VAL 8 HB VAL 8 -2.952 -9.089 -9.089 61 1HG1 VAL 8 3HG1 VAL 8 -0.583 -10.807 -10.807 62 2HG1 VAL 8 2HG1 VAL 8 -1.511 -11.013 -11.013 63 3HG1 VAL 8 1HG1 VAL 8 -0.561 -9.561 -9.561 64 1HG2 VAL 8 3HG2 VAL 8 -4.247 -10.169 -10.169 65 2HG2 VAL 8 2HG2 VAL 8 -3.654 -11.374 -11.374 66 3HG2 VAL 8 1HG2 VAL 8 -2.882 -11.188 -11.188 67 H ASN 9 H ASN 9 -0.836 -7.242 -7.242 68 HA ASN 9 HA ASN 9 0.730 -9.505 -9.505 69 1HB ASN 9 2HB ASN 9 1.468 -6.886 -6.886 70 2HB ASN 9 1HB ASN 9 1.468 -6.822 -6.822 71 1HD2 ASN 9 2HD2 ASN 9 4.215 -9.074 -9.074 72 2HD2 ASN 9 1HD2 ASN 9 2.929 -8.387 -8.387 73 H ALA 10 H ALA 10 -2.022 -8.389 -8.389 74 HA ALA 10 HA ALA 10 -1.981 -8.519 -8.519 75 1HB ALA 10 1HB ALA 10 -2.540 -6.138 -6.138 76 2HB ALA 10 3HB ALA 10 -3.866 -6.773 -6.773 77 3HB ALA 10 2HB ALA 10 -3.905 -6.917 -6.917 78 H THR 11 H THR 11 -2.231 -10.650 -10.650 79 HA THR 11 HA THR 11 -5.134 -11.365 -11.365 80 HB THR 11 HB THR 11 -2.946 -12.628 -12.628 81 HG1 THR 11 HG1 THR 11 -4.787 -11.205 -11.205 82 1HG2 THR 11 2HG2 THR 11 -6.022 -12.697 -12.697 83 2HG2 THR 11 1HG2 THR 11 -4.880 -13.494 -13.494 84 3HG2 THR 11 3HG2 THR 11 -5.078 -14.049 -14.049 85 H CYS 12 H CYS 12 -2.521 -11.651 -11.651 86 HA CYS 12 HA CYS 12 -1.531 -13.320 -13.320 87 1HB CYS 12 2HB CYS 12 -4.041 -12.359 -12.359 88 2HB CYS 12 1HB CYS 12 -4.200 -14.080 -14.080 89 H ALA 13 H ALA 13 -1.688 -14.279 -14.279 90 HA ALA 13 HA ALA 13 -2.293 -17.181 -17.181 91 1HB ALA 13 2HB ALA 13 -2.702 -15.542 -15.542 92 2HB ALA 13 1HB ALA 13 -2.958 -17.272 -17.272 93 3HB ALA 13 3HB ALA 13 -3.972 -16.142 -16.142 94 H ILE 14 H ILE 14 -0.743 -15.289 -15.289 95 HA ILE 14 HA ILE 14 1.691 -16.994 -16.994 96 HB ILE 14 HB ILE 14 2.195 -16.329 -16.329 97 1HG1 ILE 14 2HG1 ILE 14 1.747 -13.954 -13.954 98 2HG1 ILE 14 1HG1 ILE 14 0.770 -14.720 -14.720 99 1HG2 ILE 14 1HG2 ILE 14 0.441 -18.047 -18.047 100 2HG2 ILE 14 3HG2 ILE 14 -0.811 -16.818 -16.818 101 3HG2 ILE 14 2HG2 ILE 14 0.135 -17.066 -17.066 102 1HD1 ILE 14 2HD1 ILE 14 -1.238 -14.539 -14.539 103 2HD1 ILE 14 1HD1 ILE 14 -0.224 -13.711 -13.711 104 3HD1 ILE 14 3HD1 ILE 14 -0.508 -12.986 -12.986 105 H ARG 15 H ARG 15 1.136 -15.131 -15.131 106 HA ARG 15 HA ARG 15 3.058 -12.883 -12.883 107 1HB ARG 15 2HB ARG 15 0.927 -12.091 -12.091 108 2HB ARG 15 1HB ARG 15 0.722 -13.432 -13.432 109 1HG ARG 15 2HG ARG 15 2.429 -12.474 -12.474 110 2HG ARG 15 1HG ARG 15 2.784 -11.215 -11.215 111 1HD ARG 15 2HD ARG 15 -0.089 -11.509 -11.509 112 2HD ARG 15 1HD ARG 15 1.012 -11.011 -11.011 113 HE ARG 15 HE ARG 15 0.688 -9.623 -9.623 114 1HH1 ARG 15 2HH1 ARG 15 1.465 -9.498 -9.498 115 2HH1 ARG 15 1HH1 ARG 15 1.726 -7.818 -7.818 116 1HH2 ARG 15 1HH2 ARG 15 0.980 -7.462 -7.462 117 2HH2 ARG 15 2HH2 ARG 15 1.416 -6.598 -6.598 118 H HIS 16 H HIS 16 2.279 -14.304 -14.304 119 HA HIS 16 HA HIS 16 4.852 -15.740 -15.740 120 1HB HIS 16 2HB HIS 16 4.853 -13.201 -13.201 121 2HB HIS 16 1HB HIS 16 3.984 -13.962 -13.962 122 HD1 HIS 16 HD1 HIS 16 5.718 -14.574 -14.574 123 HD2 HIS 16 HD2 HIS 16 7.212 -15.152 -15.152 124 HE1 HIS 16 HE1 HIS 16 8.004 -15.515 -15.515 125 HA PRO 17 HA PRO 17 1.742 -18.101 -18.101 126 1HB PRO 17 2HB PRO 17 3.109 -20.132 -20.132 127 2HB PRO 17 1HB PRO 17 3.069 -19.887 -19.887 128 1HG PRO 17 2HG PRO 17 5.289 -19.113 -19.113 129 2HG PRO 17 1HG PRO 17 5.441 -19.848 -19.848 130 1HD PRO 17 2HD PRO 17 5.654 -17.067 -17.067 131 2HD PRO 17 1HD PRO 17 5.348 -17.785 -17.785 132 H CYS 18 H CYS 18 4.399 -16.907 -16.907 133 HA CYS 18 HA CYS 18 4.407 -15.816 -15.816 134 1HB CYS 18 2HB CYS 18 1.952 -15.552 -15.552 135 2HB CYS 18 1HB CYS 18 1.634 -16.890 -16.890 136 H HIS 19 H HIS 19 3.217 -16.639 -16.639 137 HA HIS 19 HA HIS 19 4.426 -19.357 -19.357 138 1HB HIS 19 2HB HIS 19 4.495 -17.368 -17.368 139 2HB HIS 19 1HB HIS 19 5.615 -18.642 -18.642 140 HD1 HIS 19 HD1 HIS 19 6.611 -17.996 -17.996 141 HD2 HIS 19 HD2 HIS 19 5.958 -15.005 -15.005 142 HE1 HIS 19 HE1 HIS 19 8.005 -16.073 -16.073 143 H GLY 20 H GLY 20 3.614 -20.279 -20.279 144 1HA GLY 20 2HA GLY 20 0.646 -19.962 -19.962 145 2HA GLY 20 1HA GLY 20 1.544 -21.360 -21.360 146 H ASN 21 H ASN 21 1.469 -17.957 -17.957 147 HA ASN 21 HA ASN 21 1.152 -18.648 -18.648 148 1HB ASN 21 2HB ASN 21 3.062 -16.635 -16.635 149 2HB ASN 21 1HB ASN 21 2.614 -16.506 -16.506 150 1HD2 ASN 21 2HD2 ASN 21 4.868 -19.012 -19.012 151 2HD2 ASN 21 1HD2 ASN 21 3.842 -17.745 -17.745 152 H LEU 22 H LEU 22 1.417 -15.399 -15.399 153 HA LEU 22 HA LEU 22 0.015 -13.570 -13.570 154 1HB LEU 22 2HB LEU 22 -1.324 -15.048 -15.048 155 2HB LEU 22 1HB LEU 22 -2.338 -15.523 -15.523 156 HG LEU 22 HG LEU 22 -1.911 -12.549 -12.549 157 1HD1 LEU 22 2HD1 LEU 22 -3.973 -14.291 -14.291 158 2HD1 LEU 22 1HD1 LEU 22 -3.918 -12.535 -12.535 159 3HD1 LEU 22 3HD1 LEU 22 -2.647 -13.417 -13.417 160 1HD2 LEU 22 3HD2 LEU 22 -4.280 -14.127 -14.127 161 2HD2 LEU 22 2HD2 LEU 22 -3.146 -13.208 -13.208 162 3HD2 LEU 22 1HD2 LEU 22 -4.201 -12.384 -12.384 163 H MET 23 H MET 23 -1.965 -16.044 -16.044 164 HA MET 23 HA MET 23 -3.480 -15.111 -15.111 165 1HB MET 23 2HB MET 23 -2.854 -17.530 -17.530 166 2HB MET 23 1HB MET 23 -1.414 -17.275 -17.275 167 1HG MET 23 2HG MET 23 -4.244 -16.834 -16.834 168 2HG MET 23 1HG MET 23 -3.336 -18.295 -18.295 169 1HE MET 23 2HE MET 23 -0.938 -18.225 -18.225 170 2HE MET 23 1HE MET 23 -0.964 -17.665 -17.665 171 3HE MET 23 3HE MET 23 -2.205 -18.784 -18.784 172 H ASN 24 H ASN 24 -0.163 -15.713 -15.713 173 HA ASN 24 HA ASN 24 -0.592 -13.422 -13.422 174 1HB ASN 24 2HB ASN 24 1.106 -14.523 -14.523 175 2HB ASN 24 1HB ASN 24 -0.294 -15.541 -15.541 176 1HD2 ASN 24 2HD2 ASN 24 3.201 -17.108 -17.108 177 2HD2 ASN 24 1HD2 ASN 24 2.950 -15.847 -15.847 178 H GLN 25 H GLN 25 0.506 -13.564 -13.564 179 HA GLN 25 HA GLN 25 3.301 -12.605 -12.605 180 1HB GLN 25 2HB GLN 25 2.180 -14.333 -14.333 181 2HB GLN 25 1HB GLN 25 2.055 -12.836 -12.836 182 1HG GLN 25 2HG GLN 25 4.693 -13.768 -13.768 183 2HG GLN 25 1HG GLN 25 4.167 -14.193 -14.193 184 1HE2 GLN 25 2HE2 GLN 25 5.891 -10.688 -10.688 185 2HE2 GLN 25 1HE2 GLN 25 6.054 -11.941 -11.941 186 H ILE 26 H ILE 26 0.603 -11.602 -11.602 187 HA ILE 26 HA ILE 26 1.510 -8.849 -8.849 188 HB ILE 26 HB ILE 26 -0.830 -8.293 -8.293 189 1HG1 ILE 26 2HG1 ILE 26 -1.076 -11.291 -11.291 190 2HG1 ILE 26 1HG1 ILE 26 -1.998 -10.420 -10.420 191 1HG2 ILE 26 1HG2 ILE 26 1.130 -8.536 -8.536 192 2HG2 ILE 26 3HG2 ILE 26 0.838 -10.283 -10.283 193 3HG2 ILE 26 2HG2 ILE 26 -0.272 -9.110 -9.110 194 1HD1 ILE 26 3HD1 ILE 26 -2.904 -8.897 -8.897 195 2HD1 ILE 26 2HD1 ILE 26 -2.031 -9.793 -9.793 196 3HD1 ILE 26 1HD1 ILE 26 -3.236 -10.573 -10.573 197 H LYS 27 H LYS 27 -0.079 -10.811 -10.811 198 HA LYS 27 HA LYS 27 -1.731 -8.837 -8.837 199 1HB LYS 27 2HB LYS 27 -2.347 -11.202 -11.202 200 2HB LYS 27 1HB LYS 27 -0.728 -11.594 -11.594 201 1HG LYS 27 2HG LYS 27 -2.576 -11.626 -11.626 202 2HG LYS 27 1HG LYS 27 -0.936 -11.181 -11.181 203 1HD LYS 27 2HD LYS 27 -1.541 -9.115 -9.115 204 2HD LYS 27 1HD LYS 27 -2.418 -8.762 -8.762 205 1HE LYS 27 2HE LYS 27 -3.588 -10.375 -10.375 206 2HE LYS 27 1HE LYS 27 -3.887 -8.665 -8.665 207 1HZ LYS 27 1HZ LYS 27 -4.153 -10.148 -10.148 208 2HZ LYS 27 3HZ LYS 27 -5.210 -10.828 -10.828 209 3HZ LYS 27 2HZ LYS 27 -5.294 -9.136 -9.136 210 H ASN 28 H ASN 28 1.235 -10.687 -10.687 211 HA ASN 28 HA ASN 28 1.872 -9.054 -9.054 212 1HB ASN 28 2HB ASN 28 3.096 -11.215 -11.215 213 2HB ASN 28 1HB ASN 28 3.981 -10.157 -10.157 214 1HD2 ASN 28 2HD2 ASN 28 5.316 -10.437 -10.437 215 2HD2 ASN 28 1HD2 ASN 28 4.285 -11.573 -11.573 216 H GLN 29 H GLN 29 2.748 -8.726 -8.726 217 HA GLN 29 HA GLN 29 4.266 -6.345 -6.345 218 1HB GLN 29 2HB GLN 29 4.269 -7.770 -7.770 219 2HB GLN 29 1HB GLN 29 2.642 -7.225 -7.225 220 1HG GLN 29 2HG GLN 29 3.342 -4.986 -4.986 221 2HG GLN 29 1HG GLN 29 4.919 -5.243 -5.243 222 1HE2 GLN 29 2HE2 GLN 29 6.287 -6.183 -6.183 223 2HE2 GLN 29 1HE2 GLN 29 6.515 -5.532 -5.532 224 H LEU 30 H LEU 30 0.851 -6.611 -6.611 225 HA LEU 30 HA LEU 30 0.201 -3.950 -3.950 226 1HB LEU 30 2HB LEU 30 -1.366 -6.220 -6.220 227 2HB LEU 30 1HB LEU 30 -1.779 -5.537 -5.537 228 HG LEU 30 HG LEU 30 -3.315 -4.830 -4.830 229 1HD1 LEU 30 3HD1 LEU 30 -2.668 -3.042 -3.042 230 2HD1 LEU 30 2HD1 LEU 30 -1.468 -2.448 -2.448 231 3HD1 LEU 30 1HD1 LEU 30 -3.166 -2.422 -2.422 232 1HD2 LEU 30 3HD2 LEU 30 -1.896 -5.025 -5.025 233 2HD2 LEU 30 2HD2 LEU 30 -2.673 -3.454 -3.454 234 3HD2 LEU 30 1HD2 LEU 30 -0.989 -3.602 -3.602 235 H ALA 31 H ALA 31 0.187 -5.819 -5.819 236 HA ALA 31 HA ALA 31 -0.663 -3.767 -3.767 237 1HB ALA 31 2HB ALA 31 1.400 -5.917 -5.917 238 2HB ALA 31 1HB ALA 31 0.529 -4.993 -4.993 239 3HB ALA 31 3HB ALA 31 -0.356 -6.095 -6.095 240 H GLN 32 H GLN 32 2.558 -4.633 -4.633 241 HA GLN 32 HA GLN 32 4.202 -2.861 -2.861 242 1HB GLN 32 2HB GLN 32 4.686 -4.628 -4.628 243 2HB GLN 32 1HB GLN 32 4.543 -3.235 -3.235 244 1HG GLN 32 2HG GLN 32 6.853 -3.274 -3.274 245 2HG GLN 32 1HG GLN 32 6.346 -2.164 -2.164 246 1HE2 GLN 32 2HE2 GLN 32 7.327 -4.362 -4.362 247 2HE2 GLN 32 1HE2 GLN 32 6.604 -2.869 -2.869 248 H LEU 33 H LEU 33 1.986 -2.280 -2.280 249 HA LEU 33 HA LEU 33 2.629 0.605 0.605 250 1HB LEU 33 2HB LEU 33 0.564 -1.082 -1.082 251 2HB LEU 33 1HB LEU 33 0.799 0.621 0.621 252 HG LEU 33 HG LEU 33 3.270 0.024 0.024 253 1HD1 LEU 33 2HD1 LEU 33 1.959 -2.714 -2.714 254 2HD1 LEU 33 1HD1 LEU 33 3.556 -2.347 -2.347 255 3HD1 LEU 33 3HD1 LEU 33 3.232 -2.303 -2.303 256 1HD2 LEU 33 2HD2 LEU 33 1.573 0.746 0.746 257 2HD2 LEU 33 1HD2 LEU 33 2.662 -0.471 -0.471 258 3HD2 LEU 33 3HD2 LEU 33 1.028 -0.923 -0.923 259 H ASN 34 H ASN 34 -0.252 -1.357 -1.357 260 HA ASN 34 HA ASN 34 -2.098 0.675 0.675 261 1HB ASN 34 2HB ASN 34 -2.416 -1.867 -1.867 262 2HB ASN 34 1HB ASN 34 -1.668 -1.478 -1.478 263 1HD2 ASN 34 2HD2 ASN 34 -4.698 -0.117 -0.117 264 2HD2 ASN 34 1HD2 ASN 34 -3.300 -1.027 -1.027 265 H GLY 35 H GLY 35 0.207 -0.479 -0.479 266 1HA GLY 35 2HA GLY 35 -0.182 1.349 1.349 267 2HA GLY 35 1HA GLY 35 1.412 0.717 0.717 268 H SER 36 H SER 36 1.672 1.880 1.880 269 HA SER 36 HA SER 36 2.427 4.593 4.593 270 1HB SER 36 2HB SER 36 3.557 4.727 4.727 271 2HB SER 36 1HB SER 36 3.866 3.173 3.173 272 HG SER 36 HG SER 36 1.622 3.039 3.039 273 H ALA 37 H ALA 37 -0.053 3.141 3.141 274 HA ALA 37 HA ALA 37 -0.990 5.318 5.318 275 1HB ALA 37 2HB ALA 37 -1.991 2.931 2.931 276 2HB ALA 37 1HB ALA 37 -2.720 3.299 3.299 277 3HB ALA 37 3HB ALA 37 -3.197 4.196 4.196 278 H ASN 38 H ASN 38 -1.427 4.484 4.484 279 HA ASN 38 HA ASN 38 -2.916 7.037 7.037 280 1HB ASN 38 2HB ASN 38 -3.498 4.810 4.810 281 2HB ASN 38 1HB ASN 38 -2.068 5.058 5.058 282 1HD2 ASN 38 2HD2 ASN 38 -4.036 8.306 8.306 283 2HD2 ASN 38 1HD2 ASN 38 -2.890 8.243 8.243 284 H ALA 39 H ALA 39 0.268 5.626 5.626 285 HA ALA 39 HA ALA 39 1.028 8.089 8.089 286 1HB ALA 39 2HB ALA 39 1.860 5.797 5.797 287 2HB ALA 39 1HB ALA 39 2.678 5.611 5.611 288 3HB ALA 39 3HB ALA 39 3.218 6.842 6.842 289 H LEU 40 H LEU 40 2.459 6.479 6.479 290 HA LEU 40 HA LEU 40 4.171 8.537 8.537 291 1HB LEU 40 2HB LEU 40 4.111 6.515 6.515 292 2HB LEU 40 1HB LEU 40 2.397 6.629 6.629 293 HG LEU 40 HG LEU 40 4.302 7.224 7.224 294 1HD1 LEU 40 3HD1 LEU 40 1.595 8.617 8.617 295 2HD1 LEU 40 2HD1 LEU 40 2.485 8.512 8.512 296 3HD1 LEU 40 1HD1 LEU 40 1.923 7.054 7.054 297 1HD2 LEU 40 3HD2 LEU 40 5.116 9.343 9.343 298 2HD2 LEU 40 2HD2 LEU 40 4.400 9.631 9.631 299 3HD2 LEU 40 1HD2 LEU 40 3.467 9.913 9.913 300 H PHE 41 H PHE 41 0.747 8.091 8.091 301 HA PHE 41 HA PHE 41 0.041 10.345 10.345 302 1HB PHE 41 2HB PHE 41 -1.675 8.889 8.889 303 2HB PHE 41 1HB PHE 41 -1.322 9.247 9.247 304 HD1 PHE 41 HD2 PHE 41 -1.417 12.003 12.003 305 HD2 PHE 41 HD1 PHE 41 -3.701 9.731 9.731 306 HE1 PHE 41 HE2 PHE 41 -3.161 13.646 13.646 307 HE2 PHE 41 HE1 PHE 41 -5.469 11.410 11.410 308 HZ PHE 41 HZ PHE 41 -5.134 13.418 13.418 309 H ILE 42 H ILE 42 0.527 10.364 10.364 310 HA ILE 42 HA ILE 42 0.154 13.150 13.150 311 HB ILE 42 HB ILE 42 1.115 10.896 10.896 312 1HG1 ILE 42 2HG1 ILE 42 -0.944 11.297 11.297 313 2HG1 ILE 42 1HG1 ILE 42 -1.058 12.940 12.940 314 1HG2 ILE 42 3HG2 ILE 42 1.100 13.820 13.820 315 2HG2 ILE 42 2HG2 ILE 42 1.346 12.427 12.427 316 3HG2 ILE 42 1HG2 ILE 42 2.537 12.827 12.827 317 1HD1 ILE 42 3HD1 ILE 42 -1.446 12.039 12.039 318 2HD1 ILE 42 2HD1 ILE 42 -1.329 10.412 10.412 319 3HD1 ILE 42 1HD1 ILE 42 -2.524 11.544 11.544 320 H SER 43 H SER 43 2.629 11.162 11.162 321 HA SER 43 HA SER 43 4.697 13.245 13.245 322 1HB SER 43 2HB SER 43 4.932 10.462 10.462 323 2HB SER 43 1HB SER 43 5.542 10.713 10.713 324 HG SER 43 HG SER 43 6.537 11.815 11.815 325 H TYR 44 H TYR 44 2.877 12.302 12.302 326 HA TYR 44 HA TYR 44 4.532 13.456 13.456 327 1HB TYR 44 2HB TYR 44 3.564 11.578 11.578 328 2HB TYR 44 1HB TYR 44 2.145 11.635 11.635 329 HD1 TYR 44 HD2 TYR 44 3.611 12.679 12.679 330 HD2 TYR 44 HD1 TYR 44 0.109 13.014 13.014 331 HE1 TYR 44 HE2 TYR 44 2.571 13.569 13.569 332 HE2 TYR 44 HE1 TYR 44 -0.947 13.882 13.882 333 HH TYR 44 HH TYR 44 0.264 15.355 15.355 334 H TYR 45 H TYR 45 1.240 13.827 13.827 335 HA TYR 45 HA TYR 45 0.859 16.354 16.354 336 1HB TYR 45 2HB TYR 45 -1.378 16.337 16.337 337 2HB TYR 45 1HB TYR 45 -1.004 14.648 14.648 338 HD1 TYR 45 HD1 TYR 45 0.596 14.697 14.697 339 HD2 TYR 45 HD2 TYR 45 -3.016 16.644 16.644 340 HE1 TYR 45 HE1 TYR 45 -0.017 14.829 14.829 341 HE2 TYR 45 HE2 TYR 45 -3.582 16.778 16.778 342 HH TYR 45 HH TYR 45 -2.298 14.916 14.916 343 H THR 46 H THR 46 2.323 15.804 15.804 344 HA THR 46 HA THR 46 1.903 18.603 18.603 345 HB THR 46 HB THR 46 3.875 18.110 18.110 346 HG1 THR 46 HG1 THR 46 4.984 16.349 16.349 347 1HG2 THR 46 3HG2 THR 46 1.667 16.037 16.037 348 2HG2 THR 46 2HG2 THR 46 2.688 16.411 16.411 349 3HG2 THR 46 1HG2 THR 46 1.537 17.596 17.596 350 H ALA 47 H ALA 47 4.420 16.757 16.757 351 HA ALA 47 HA ALA 47 6.316 18.879 18.879 352 1HB ALA 47 1HB ALA 47 5.757 16.575 16.575 353 2HB ALA 47 3HB ALA 47 7.215 17.560 17.560 354 3HB ALA 47 2HB ALA 47 6.848 16.491 16.491 355 H GLN 48 H GLN 48 3.231 18.380 18.380 356 HA GLN 48 HA GLN 48 3.594 19.982 19.982 357 1HB GLN 48 2HB GLN 48 1.040 19.389 19.389 358 2HB GLN 48 1HB GLN 48 1.167 19.833 19.833 359 1HG GLN 48 2HG GLN 48 2.390 17.267 17.267 360 2HG GLN 48 1HG GLN 48 0.871 17.317 17.317 361 1HE2 GLN 48 2HE2 GLN 48 4.326 17.642 17.642 362 2HE2 GLN 48 1HE2 GLN 48 4.243 17.440 17.440 363 H GLY 49 H GLY 49 2.402 20.453 20.453 364 1HA GLY 49 2HA GLY 49 2.415 22.404 22.404 365 2HA GLY 49 1HA GLY 49 2.949 23.339 23.339 366 H GLU 50 H GLU 50 0.646 23.756 23.756 367 HA GLU 50 HA GLU 50 -1.842 23.078 23.078 368 1HB GLU 50 2HB GLU 50 -2.541 25.519 25.519 369 2HB GLU 50 1HB GLU 50 -1.601 24.680 24.680 370 1HG GLU 50 2HG GLU 50 0.359 25.922 25.922 371 2HG GLU 50 1HG GLU 50 -0.264 26.395 26.395 372 HA PRO 51 HA PRO 51 -4.017 24.417 24.417 373 1HB PRO 51 2HB PRO 51 -6.232 24.350 24.350 374 2HB PRO 51 1HB PRO 51 -5.326 25.864 25.864 375 1HG PRO 51 2HG PRO 51 -5.126 23.803 23.803 376 2HG PRO 51 1HG PRO 51 -5.436 25.540 25.540 377 1HD PRO 51 2HD PRO 51 -2.892 24.543 24.543 378 2HD PRO 51 1HD PRO 51 -3.174 26.108 26.108 379 H PHE 52 H PHE 52 -3.265 22.366 22.366 380 HA PHE 52 HA PHE 52 -4.818 20.036 20.036 381 1HB PHE 52 2HB PHE 52 -1.825 20.324 20.324 382 2HB PHE 52 1HB PHE 52 -2.464 18.775 18.775 383 HD1 PHE 52 HD2 PHE 52 -4.853 19.955 19.955 384 HD2 PHE 52 HD1 PHE 52 -0.818 18.599 18.599 385 HE1 PHE 52 HE2 PHE 52 -4.889 19.333 19.333 386 HE2 PHE 52 HE1 PHE 52 -0.892 17.978 17.978 387 HZ PHE 52 HZ PHE 52 -2.866 18.369 18.369 388 HA PRO 53 HA PRO 53 -2.751 18.534 18.534 389 1HB PRO 53 2HB PRO 53 -2.296 20.840 20.840 390 2HB PRO 53 1HB PRO 53 -1.087 19.781 19.781 391 1HG PRO 53 2HG PRO 53 -2.288 22.337 22.337 392 2HG PRO 53 1HG PRO 53 -0.588 21.856 21.856 393 1HD PRO 53 2HD PRO 53 -1.859 21.457 21.457 394 2HD PRO 53 1HD PRO 53 -1.002 20.046 20.046 395 H ASN 54 H ASN 54 -4.877 21.045 21.045 396 HA ASN 54 HA ASN 54 -6.717 20.076 20.076 397 1HB ASN 54 2HB ASN 54 -5.792 22.335 22.335 398 2HB ASN 54 1HB ASN 54 -6.450 22.914 22.914 399 1HD2 ASN 54 2HD2 ASN 54 -9.445 23.729 23.729 400 2HD2 ASN 54 1HD2 ASN 54 -8.277 24.173 24.173 401 H ASN 55 H ASN 55 -6.434 20.644 20.644 402 HA ASN 55 HA ASN 55 -9.378 20.235 20.235 403 1HB ASN 55 2HB ASN 55 -7.322 21.685 21.685 404 2HB ASN 55 1HB ASN 55 -8.936 21.270 21.270 405 1HD2 ASN 55 2HD2 ASN 55 -8.628 24.576 24.576 406 2HD2 ASN 55 1HD2 ASN 55 -7.217 23.767 23.767 407 H LEU 56 H LEU 56 -6.888 18.509 18.509 408 HA LEU 56 HA LEU 56 -6.529 17.139 17.139 409 1HB LEU 56 2HB LEU 56 -5.136 15.679 15.679 410 2HB LEU 56 1HB LEU 56 -5.204 17.130 17.130 411 HG LEU 56 HG LEU 56 -7.080 16.007 16.007 412 1HD1 LEU 56 2HD1 LEU 56 -7.504 14.115 14.115 413 2HD1 LEU 56 1HD1 LEU 56 -5.918 13.542 13.542 414 3HD1 LEU 56 3HD1 LEU 56 -7.192 13.563 13.563 415 1HD2 LEU 56 1HD2 LEU 56 -4.397 14.591 14.591 416 2HD2 LEU 56 3HD2 LEU 56 -4.764 16.067 16.067 417 3HD2 LEU 56 2HD2 LEU 56 -5.562 14.564 14.564 418 H ASP 57 H ASP 57 -8.651 16.753 16.753 419 HA ASP 57 HA ASP 57 -9.884 14.474 14.474 420 1HB ASP 57 2HB ASP 57 -11.056 16.692 16.692 421 2HB ASP 57 1HB ASP 57 -11.761 15.105 15.105 422 H LYS 58 H LYS 58 -10.006 17.462 17.462 423 HA LYS 58 HA LYS 58 -12.616 16.917 16.917 424 1HB LYS 58 2HB LYS 58 -11.232 19.584 19.584 425 2HB LYS 58 1HB LYS 58 -12.812 19.391 19.391 426 1HG LYS 58 2HG LYS 58 -13.545 18.109 18.109 427 2HG LYS 58 1HG LYS 58 -12.009 18.526 18.526 428 1HD LYS 58 2HD LYS 58 -12.477 20.936 20.936 429 2HD LYS 58 1HD LYS 58 -14.045 20.605 20.605 430 1HE LYS 58 2HE LYS 58 -13.081 19.912 19.912 431 2HE LYS 58 1HE LYS 58 -14.287 21.109 21.109 432 1HZ LYS 58 2HZ LYS 58 -15.141 18.671 18.671 433 2HZ LYS 58 1HZ LYS 58 -14.622 18.361 18.361 434 3HZ LYS 58 3HZ LYS 58 -15.841 19.517 19.517 435 H LEU 59 H LEU 59 -9.255 17.495 17.495 436 HA LEU 59 HA LEU 59 -9.614 17.433 17.433 437 1HB LEU 59 2HB LEU 59 -7.339 18.577 18.577 438 2HB LEU 59 1HB LEU 59 -7.374 18.544 18.544 439 HG LEU 59 HG LEU 59 -8.495 20.550 20.550 440 1HD1 LEU 59 2HD1 LEU 59 -10.739 19.535 19.535 441 2HD1 LEU 59 1HD1 LEU 59 -10.308 19.833 19.833 442 3HD1 LEU 59 3HD1 LEU 59 -10.504 21.170 21.170 443 1HD2 LEU 59 2HD2 LEU 59 -8.061 20.394 20.394 444 2HD2 LEU 59 1HD2 LEU 59 -6.900 20.983 20.983 445 3HD2 LEU 59 3HD2 LEU 59 -8.371 21.901 21.901 446 H CYS 60 H CYS 60 -8.328 15.862 15.862 447 HA CYS 60 HA CYS 60 -6.667 13.983 13.983 448 1HB CYS 60 2HB CYS 60 -6.089 14.913 14.913 449 2HB CYS 60 1HB CYS 60 -5.153 13.869 13.869 450 H GLY 61 H GLY 61 -9.513 13.536 13.536 451 1HA GLY 61 2HA GLY 61 -8.978 11.103 11.103 452 2HA GLY 61 1HA GLY 61 -10.198 12.243 12.243 453 HA PRO 62 HA PRO 62 -13.131 10.463 10.463 454 1HB PRO 62 2HB PRO 62 -14.654 12.550 12.550 455 2HB PRO 62 1HB PRO 62 -14.536 12.227 12.227 456 1HG PRO 62 2HG PRO 62 -12.921 14.234 14.234 457 2HG PRO 62 1HG PRO 62 -13.768 14.512 14.512 458 1HD PRO 62 2HD PRO 62 -11.130 13.996 13.996 459 2HD PRO 62 1HD PRO 62 -12.073 13.397 13.397 460 H ASN 63 H ASN 63 -13.933 10.100 10.100 461 HA ASN 63 HA ASN 63 -11.853 10.599 10.599 462 1HB ASN 63 2HB ASN 63 -12.794 8.584 8.584 463 2HB ASN 63 1HB ASN 63 -12.478 8.253 8.253 464 1HD2 ASN 63 2HD2 ASN 63 -16.143 7.670 7.670 465 2HD2 ASN 63 1HD2 ASN 63 -14.818 7.778 7.778 466 H VAL 64 H VAL 64 -12.220 11.991 11.991 467 HA VAL 64 HA VAL 64 -15.002 12.565 12.565 468 HB VAL 64 HB VAL 64 -14.216 14.972 14.972 469 1HG1 VAL 64 3HG1 VAL 64 -14.085 13.924 13.924 470 2HG1 VAL 64 2HG1 VAL 64 -14.404 15.593 15.593 471 3HG1 VAL 64 1HG1 VAL 64 -15.558 14.335 14.335 472 1HG2 VAL 64 1HG2 VAL 64 -11.844 14.056 14.056 473 2HG2 VAL 64 3HG2 VAL 64 -11.746 14.538 14.538 474 3HG2 VAL 64 2HG2 VAL 64 -12.186 15.705 15.705 475 H THR 65 H THR 65 -12.028 11.408 11.408 476 HA THR 65 HA THR 65 -12.134 12.298 12.298 477 HB THR 65 HB THR 65 -9.886 12.546 12.546 478 HG1 THR 65 HG1 THR 65 -9.479 11.991 11.991 479 1HG2 THR 65 1HG2 THR 65 -9.990 9.475 9.475 480 2HG2 THR 65 3HG2 THR 65 -8.644 10.483 10.483 481 3HG2 THR 65 2HG2 THR 65 -10.097 10.493 10.493 482 H ASP 66 H ASP 66 -10.787 9.756 9.756 483 HA ASP 66 HA ASP 66 -13.252 8.102 8.102 484 1HB ASP 66 2HB ASP 66 -12.384 7.158 7.158 485 2HB ASP 66 1HB ASP 66 -12.458 8.904 8.904 486 H PHE 67 H PHE 67 -11.572 7.840 7.840 487 HA PHE 67 HA PHE 67 -9.865 5.543 5.543 488 1HB PHE 67 2HB PHE 67 -9.402 6.477 6.477 489 2HB PHE 67 1HB PHE 67 -11.063 6.971 6.971 490 HD1 PHE 67 HD2 PHE 67 -8.850 3.943 3.943 491 HD2 PHE 67 HD1 PHE 67 -12.543 5.625 5.625 492 HE1 PHE 67 HE2 PHE 67 -9.273 1.979 1.979 493 HE2 PHE 67 HE1 PHE 67 -12.968 3.654 3.654 494 HZ PHE 67 HZ PHE 67 -11.351 1.829 1.829 495 HA PRO 68 HA PRO 68 -13.436 2.832 2.832 496 1HB PRO 68 2HB PRO 68 -12.177 0.438 0.438 497 2HB PRO 68 1HB PRO 68 -12.095 1.721 1.721 498 1HG PRO 68 2HG PRO 68 -10.105 1.192 1.192 499 2HG PRO 68 1HG PRO 68 -9.733 1.259 1.259 500 1HD PRO 68 2HD PRO 68 -9.435 3.503 3.503 501 2HD PRO 68 1HD PRO 68 -10.195 3.684 3.684 502 HA PRO 69 HA PRO 69 -13.939 2.063 2.063 503 1HB PRO 69 2HB PRO 69 -16.510 1.365 1.365 504 2HB PRO 69 1HB PRO 69 -16.066 2.855 2.855 505 1HG PRO 69 2HG PRO 69 -16.568 0.076 0.076 506 2HG PRO 69 1HG PRO 69 -17.296 1.609 1.609 507 1HD PRO 69 2HD PRO 69 -15.006 0.583 0.583 508 2HD PRO 69 1HD PRO 69 -15.341 2.328 2.328 509 H PHE 70 H PHE 70 -12.335 0.171 0.171 510 HA PHE 70 HA PHE 70 -12.491 -2.502 -2.502 511 1HB PHE 70 2HB PHE 70 -10.599 -0.984 -0.984 512 2HB PHE 70 1HB PHE 70 -11.373 -1.334 -1.334 513 HD1 PHE 70 HD2 PHE 70 -11.709 -3.828 -3.828 514 HD2 PHE 70 HD1 PHE 70 -9.232 -2.570 -2.570 515 HE1 PHE 70 HE2 PHE 70 -10.540 -6.009 -6.009 516 HE2 PHE 70 HE1 PHE 70 -8.085 -4.732 -4.732 517 HZ PHE 70 HZ PHE 70 -8.708 -6.427 -6.427 518 H HIS 71 H HIS 71 -14.345 -3.704 -3.704 519 HA HIS 71 HA HIS 71 -15.353 -3.429 -3.429 520 1HB HIS 71 2HB HIS 71 -17.681 -3.838 -3.838 521 2HB HIS 71 1HB HIS 71 -16.971 -2.245 -2.245 522 HD1 HIS 71 HD1 HIS 71 -15.554 -2.156 -2.156 523 HD2 HIS 71 HD2 HIS 71 -18.346 -5.115 -5.115 524 HE1 HIS 71 HE1 HIS 71 -15.931 -2.897 -2.897 525 H ALA 72 H ALA 72 -13.730 -5.203 -5.203 526 HA ALA 72 HA ALA 72 -13.625 -7.677 -7.677 527 1HB ALA 72 1HB ALA 72 -12.439 -7.124 -7.124 528 2HB ALA 72 3HB ALA 72 -13.986 -7.246 -7.246 529 3HB ALA 72 2HB ALA 72 -13.286 -8.671 -8.671 530 H ASN 73 H ASN 73 -15.591 -8.072 -8.072 531 HA ASN 73 HA ASN 73 -17.839 -8.895 -8.895 532 1HB ASN 73 2HB ASN 73 -18.205 -7.316 -7.316 533 2HB ASN 73 1HB ASN 73 -17.653 -8.531 -8.531 534 1HD2 ASN 73 2HD2 ASN 73 -21.083 -10.034 -10.034 535 2HD2 ASN 73 1HD2 ASN 73 -19.626 -10.264 -10.264 536 H GLY 74 H GLY 74 -15.335 -10.315 -10.315 537 1HA GLY 74 2HA GLY 74 -14.777 -12.649 -12.649 538 2HA GLY 74 1HA GLY 74 -16.487 -13.032 -13.032 539 H THR 75 H THR 75 -14.115 -11.090 -11.090 540 HA THR 75 HA THR 75 -14.164 -13.064 -13.064 541 HB THR 75 HB THR 75 -14.221 -10.295 -10.295 542 HG1 THR 75 HG1 THR 75 -15.893 -9.622 -9.622 543 1HG2 THR 75 2HG2 THR 75 -16.092 -12.682 -12.682 544 2HG2 THR 75 1HG2 THR 75 -16.102 -11.371 -11.371 545 3HG2 THR 75 3HG2 THR 75 -14.723 -12.492 -12.492 546 H GLU 76 H GLU 76 -12.293 -13.700 -13.700 547 HA GLU 76 HA GLU 76 -9.863 -12.530 -12.530 548 1HB GLU 76 2HB GLU 76 -10.002 -14.251 -14.251 549 2HB GLU 76 1HB GLU 76 -8.603 -13.984 -13.984 550 1HG GLU 76 2HG GLU 76 -9.475 -16.143 -16.143 551 2HG GLU 76 1HG GLU 76 -9.979 -15.050 -15.050 552 H LYS 77 H LYS 77 -11.034 -12.617 -12.617 553 HA LYS 77 HA LYS 77 -9.238 -10.789 -10.789 554 1HB LYS 77 2HB LYS 77 -10.888 -10.268 -10.268 555 2HB LYS 77 1HB LYS 77 -10.975 -11.959 -11.959 556 1HG LYS 77 2HG LYS 77 -13.031 -11.571 -11.571 557 2HG LYS 77 1HG LYS 77 -12.953 -9.856 -9.856 558 1HD LYS 77 2HD LYS 77 -12.867 -10.801 -10.801 559 2HD LYS 77 1HD LYS 77 -13.583 -12.209 -12.209 560 1HE LYS 77 2HE LYS 77 -15.330 -10.679 -10.679 561 2HE LYS 77 1HE LYS 77 -15.506 -10.875 -10.875 562 1HZ LYS 77 1HZ LYS 77 -13.712 -8.793 -8.793 563 2HZ LYS 77 3HZ LYS 77 -15.058 -8.471 -8.471 564 3HZ LYS 77 2HZ LYS 77 -15.267 -8.710 -8.710 565 H ALA 78 H ALA 78 -12.288 -9.931 -9.931 566 HA ALA 78 HA ALA 78 -11.755 -7.113 -7.113 567 1HB ALA 78 3HB ALA 78 -13.276 -8.410 -8.410 568 2HB ALA 78 2HB ALA 78 -13.332 -6.710 -6.710 569 3HB ALA 78 1HB ALA 78 -14.010 -7.901 -7.901 570 H LYS 79 H LYS 79 -11.021 -9.251 -9.251 571 HA LYS 79 HA LYS 79 -9.843 -7.451 -7.451 572 1HB LYS 79 2HB LYS 79 -9.158 -10.392 -10.392 573 2HB LYS 79 1HB LYS 79 -8.567 -9.479 -9.479 574 1HG LYS 79 2HG LYS 79 -10.761 -9.157 -9.157 575 2HG LYS 79 1HG LYS 79 -11.535 -9.493 -9.493 576 1HD LYS 79 2HD LYS 79 -11.951 -11.395 -11.395 577 2HD LYS 79 1HD LYS 79 -10.982 -11.886 -11.886 578 1HE LYS 79 2HE LYS 79 -10.171 -12.872 -12.872 579 2HE LYS 79 1HE LYS 79 -8.941 -11.862 -11.862 580 1HZ LYS 79 2HZ LYS 79 -10.566 -10.248 -10.248 581 2HZ LYS 79 1HZ LYS 79 -10.001 -11.573 -11.573 582 3HZ LYS 79 3HZ LYS 79 -8.919 -10.622 -10.622 583 H LEU 80 H LEU 80 -8.330 -9.245 -9.245 584 HA LEU 80 HA LEU 80 -5.765 -7.869 -7.869 585 1HB LEU 80 2HB LEU 80 -6.376 -9.751 -9.751 586 2HB LEU 80 1HB LEU 80 -4.867 -9.446 -9.446 587 HG LEU 80 HG LEU 80 -7.201 -10.849 -10.849 588 1HD1 LEU 80 1HD1 LEU 80 -4.611 -11.966 -11.966 589 2HD1 LEU 80 3HD1 LEU 80 -5.803 -12.862 -12.862 590 3HD1 LEU 80 2HD1 LEU 80 -6.225 -12.236 -12.236 591 1HD2 LEU 80 3HD2 LEU 80 -4.371 -10.315 -10.315 592 2HD2 LEU 80 2HD2 LEU 80 -5.816 -9.559 -9.559 593 3HD2 LEU 80 1HD2 LEU 80 -5.559 -11.271 -11.271 594 H VAL 81 H VAL 81 -7.939 -8.270 -8.270 595 HA VAL 81 HA VAL 81 -6.718 -6.346 -6.346 596 HB VAL 81 HB VAL 81 -9.714 -6.804 -6.804 597 1HG1 VAL 81 2HG1 VAL 81 -8.108 -5.651 -5.651 598 2HG1 VAL 81 1HG1 VAL 81 -9.814 -6.025 -6.025 599 3HG1 VAL 81 3HG1 VAL 81 -9.230 -4.769 -4.769 600 1HG2 VAL 81 3HG2 VAL 81 -8.421 -8.923 -8.923 601 2HG2 VAL 81 2HG2 VAL 81 -9.385 -8.427 -8.427 602 3HG2 VAL 81 1HG2 VAL 81 -7.655 -8.122 -8.122 603 H GLU 82 H GLU 82 -9.070 -5.766 -5.766 604 HA GLU 82 HA GLU 82 -9.045 -2.940 -2.940 605 1HB GLU 82 2HB GLU 82 -11.006 -4.299 -4.299 606 2HB GLU 82 1HB GLU 82 -10.179 -4.040 -4.040 607 1HG GLU 82 2HG GLU 82 -10.446 -1.641 -1.641 608 2HG GLU 82 1HG GLU 82 -10.696 -1.701 -1.701 609 H LEU 83 H LEU 83 -7.336 -5.061 -5.061 610 HA LEU 83 HA LEU 83 -6.304 -2.735 -2.735 611 1HB LEU 83 2HB LEU 83 -4.713 -4.166 -4.166 612 2HB LEU 83 1HB LEU 83 -6.030 -5.253 -5.253 613 HG LEU 83 HG LEU 83 -4.651 -6.008 -6.008 614 1HD1 LEU 83 1HD1 LEU 83 -2.540 -4.761 -4.761 615 2HD1 LEU 83 3HD1 LEU 83 -2.199 -5.695 -5.695 616 3HD1 LEU 83 2HD1 LEU 83 -2.906 -4.099 -4.099 617 1HD2 LEU 83 1HD2 LEU 83 -5.033 -7.381 -7.381 618 2HD2 LEU 83 3HD2 LEU 83 -3.483 -7.650 -7.650 619 3HD2 LEU 83 2HD2 LEU 83 -3.571 -6.649 -6.649 620 H TYR 84 H TYR 84 -5.006 -4.767 -4.767 621 HA TYR 84 HA TYR 84 -2.759 -3.606 -3.606 622 1HB TYR 84 2HB TYR 84 -3.994 -5.652 -5.652 623 2HB TYR 84 1HB TYR 84 -5.040 -4.698 -4.698 624 HD1 TYR 84 HD2 TYR 84 -3.843 -3.107 -3.107 625 HD2 TYR 84 HD1 TYR 84 -1.995 -6.325 -6.325 626 HE1 TYR 84 HE2 TYR 84 -2.178 -3.121 -3.121 627 HE2 TYR 84 HE1 TYR 84 -0.325 -6.421 -6.421 628 HH TYR 84 HH TYR 84 -0.195 -4.208 -4.208 629 H ARG 85 H ARG 85 -5.558 -3.074 -3.074 630 HA ARG 85 HA ARG 85 -5.079 -0.701 -0.701 631 1HB ARG 85 2HB ARG 85 -7.270 -2.040 -2.040 632 2HB ARG 85 1HB ARG 85 -7.800 -1.294 -1.294 633 1HG ARG 85 2HG ARG 85 -7.569 0.988 0.988 634 2HG ARG 85 1HG ARG 85 -7.057 0.269 0.269 635 1HD ARG 85 2HD ARG 85 -9.776 -0.272 -0.272 636 2HD ARG 85 1HD ARG 85 -9.465 0.944 0.944 637 HE ARG 85 HE ARG 85 -8.569 -1.723 -1.723 638 1HH1 ARG 85 2HH1 ARG 85 -11.273 0.352 0.352 639 2HH1 ARG 85 1HH1 ARG 85 -12.153 -0.393 -0.393 640 1HH2 ARG 85 1HH2 ARG 85 -9.571 -2.743 -2.743 641 2HH2 ARG 85 2HH2 ARG 85 -11.133 -2.299 -2.299 642 H MET 86 H MET 86 -6.672 -0.909 -0.909 643 HA MET 86 HA MET 86 -6.873 1.729 1.729 644 1HB MET 86 2HB MET 86 -7.843 0.049 0.049 645 2HB MET 86 1HB MET 86 -6.300 -0.689 -0.689 646 1HG MET 86 2HG MET 86 -6.716 2.065 2.065 647 2HG MET 86 1HG MET 86 -7.539 0.729 0.729 648 1HE MET 86 1HE MET 86 -4.377 2.554 2.554 649 2HE MET 86 3HE MET 86 -4.931 2.882 2.882 650 3HE MET 86 2HE MET 86 -3.388 2.061 2.061 651 H VAL 87 H VAL 87 -4.045 -0.320 -0.320 652 HA VAL 87 HA VAL 87 -2.371 1.612 1.612 653 HB VAL 87 HB VAL 87 -1.958 -1.057 -1.057 654 1HG1 VAL 87 3HG1 VAL 87 0.144 0.648 0.648 655 2HG1 VAL 87 2HG1 VAL 87 0.399 -1.017 -1.017 656 3HG1 VAL 87 1HG1 VAL 87 0.120 0.196 0.196 657 1HG2 VAL 87 1HG2 VAL 87 -3.044 -1.288 -1.288 658 2HG2 VAL 87 3HG2 VAL 87 -1.456 -2.000 -2.000 659 3HG2 VAL 87 2HG2 VAL 87 -1.730 -0.466 -0.466 660 H ALA 88 H ALA 88 -2.212 -0.020 -0.020 661 HA ALA 88 HA ALA 88 -0.407 1.438 1.438 662 1HB ALA 88 2HB ALA 88 -3.086 0.277 0.277 663 2HB ALA 88 1HB ALA 88 -1.795 0.695 0.695 664 3HB ALA 88 3HB ALA 88 -1.530 -0.487 -0.487 665 H TYR 89 H TYR 89 -3.704 2.549 2.549 666 HA TYR 89 HA TYR 89 -3.138 5.096 5.096 667 1HB TYR 89 2HB TYR 89 -5.418 5.693 5.693 668 2HB TYR 89 1HB TYR 89 -5.563 3.953 3.953 669 HD1 TYR 89 HD1 TYR 89 -5.054 7.006 7.006 670 HD2 TYR 89 HD2 TYR 89 -6.552 3.060 3.060 671 HE1 TYR 89 HE1 TYR 89 -6.028 7.266 7.266 672 HE2 TYR 89 HE2 TYR 89 -7.538 3.352 3.352 673 HH TYR 89 HH TYR 89 -6.668 5.253 5.253 674 H LEU 90 H LEU 90 -3.612 4.096 4.096 675 HA LEU 90 HA LEU 90 -3.088 6.544 6.544 676 1HB LEU 90 2HB LEU 90 -4.067 4.603 4.603 677 2HB LEU 90 1HB LEU 90 -2.666 3.630 3.630 678 HG LEU 90 HG LEU 90 -2.811 4.134 4.134 679 1HD1 LEU 90 1HD1 LEU 90 -0.516 4.016 4.016 680 2HD1 LEU 90 3HD1 LEU 90 -0.496 5.754 5.754 681 3HD1 LEU 90 2HD1 LEU 90 -0.669 5.078 5.078 682 1HD2 LEU 90 1HD2 LEU 90 -4.124 6.201 6.201 683 2HD2 LEU 90 3HD2 LEU 90 -2.679 6.443 6.443 684 3HD2 LEU 90 2HD2 LEU 90 -2.744 7.046 7.046 685 H SER 91 H SER 91 -0.920 3.803 3.803 686 HA SER 91 HA SER 91 1.518 4.905 4.905 687 1HB SER 91 2HB SER 91 2.624 3.213 3.213 688 2HB SER 91 1HB SER 91 1.153 2.496 2.496 689 HG SER 91 HG SER 91 1.759 2.814 2.814 690 H ALA 92 H ALA 92 0.241 4.886 4.886 691 HA ALA 92 HA ALA 92 2.155 6.379 6.379 692 1HB ALA 92 3HB ALA 92 -0.866 6.737 6.737 693 2HB ALA 92 2HB ALA 92 0.314 7.228 7.228 694 3HB ALA 92 1HB ALA 92 0.096 5.525 5.525 695 H SER 93 H SER 93 -0.432 7.710 7.710 696 HA SER 93 HA SER 93 0.352 10.496 10.496 697 1HB SER 93 2HB SER 93 -1.954 10.335 10.335 698 2HB SER 93 1HB SER 93 -1.684 8.884 8.884 699 HG SER 93 HG SER 93 -1.867 11.358 11.358 700 H LEU 94 H LEU 94 0.680 8.144 8.144 701 HA LEU 94 HA LEU 94 2.145 9.616 9.616 702 1HB LEU 94 2HB LEU 94 1.366 6.874 6.874 703 2HB LEU 94 1HB LEU 94 3.088 6.832 6.832 704 HG LEU 94 HG LEU 94 2.662 8.337 8.337 705 1HD1 LEU 94 3HD1 LEU 94 -0.186 7.352 7.352 706 2HD1 LEU 94 2HD1 LEU 94 0.423 8.094 8.094 707 3HD1 LEU 94 1HD1 LEU 94 0.357 9.013 9.013 708 1HD2 LEU 94 1HD2 LEU 94 3.260 5.892 5.892 709 2HD2 LEU 94 3HD2 LEU 94 2.095 6.353 6.353 710 3HD2 LEU 94 2HD2 LEU 94 1.570 5.465 5.465 711 H THR 95 H THR 95 2.987 8.403 8.403 712 HA THR 95 HA THR 95 5.892 8.613 8.613 713 HB THR 95 HB THR 95 4.277 7.846 7.846 714 HG1 THR 95 HG1 THR 95 3.985 6.525 6.525 715 1HG2 THR 95 1HG2 THR 95 6.765 8.605 8.605 716 2HG2 THR 95 3HG2 THR 95 7.204 7.396 7.396 717 3HG2 THR 95 2HG2 THR 95 6.509 6.903 6.903 718 H ASN 96 H ASN 96 3.595 10.157 10.157 719 HA ASN 96 HA ASN 96 5.644 11.924 11.924 720 1HB ASN 96 2HB ASN 96 3.768 13.324 13.324 721 2HB ASN 96 1HB ASN 96 3.498 11.638 11.638 722 1HD2 ASN 96 2HD2 ASN 96 0.219 12.726 12.726 723 2HD2 ASN 96 1HD2 ASN 96 1.221 12.640 12.640 724 H ILE 97 H ILE 97 3.343 12.223 12.223 725 HA ILE 97 HA ILE 97 4.086 14.886 14.886 726 HB ILE 97 HB ILE 97 2.131 13.420 13.420 727 1HG1 ILE 97 2HG1 ILE 97 2.217 14.385 14.385 728 2HG1 ILE 97 1HG1 ILE 97 3.902 14.778 14.778 729 1HG2 ILE 97 3HG2 ILE 97 3.458 11.436 11.436 730 2HG2 ILE 97 2HG2 ILE 97 4.290 12.317 12.317 731 3HG2 ILE 97 1HG2 ILE 97 2.571 12.041 12.041 732 1HD1 ILE 97 3HD1 ILE 97 1.561 15.923 15.923 733 2HD1 ILE 97 2HD1 ILE 97 2.428 16.763 16.763 734 3HD1 ILE 97 1HD1 ILE 97 3.238 16.372 16.372 735 H THR 98 H THR 98 5.403 11.763 11.763 736 HA THR 98 HA THR 98 7.483 12.606 12.606 737 HB THR 98 HB THR 98 7.064 10.278 10.278 738 HG1 THR 98 HG1 THR 98 6.207 9.787 9.787 739 1HG2 THR 98 1HG2 THR 98 9.585 10.496 10.496 740 2HG2 THR 98 3HG2 THR 98 9.012 9.088 9.088 741 3HG2 THR 98 2HG2 THR 98 9.587 10.488 10.488 742 H ARG 99 H ARG 99 7.786 12.198 12.198 743 HA ARG 99 HA ARG 99 10.452 13.074 13.074 744 1HB ARG 99 2HB ARG 99 9.031 11.704 11.704 745 2HB ARG 99 1HB ARG 99 8.315 13.232 13.232 746 1HG ARG 99 2HG ARG 99 10.369 14.088 14.088 747 2HG ARG 99 1HG ARG 99 11.341 12.896 12.896 748 1HD ARG 99 2HD ARG 99 10.150 11.107 11.107 749 2HD ARG 99 1HD ARG 99 9.587 12.511 12.511 750 HE ARG 99 HE ARG 99 12.473 12.435 12.435 751 1HH1 ARG 99 2HH1 ARG 99 9.976 11.657 11.657 752 2HH1 ARG 99 1HH1 ARG 99 11.051 11.641 11.641 753 1HH2 ARG 99 1HH2 ARG 99 13.868 12.389 12.389 754 2HH2 ARG 99 2HH2 ARG 99 13.334 12.052 12.052 755 H ASP 100 H ASP 100 7.534 14.790 14.790 756 HA ASP 100 HA ASP 100 8.748 17.343 17.343 757 1HB ASP 100 2HB ASP 100 6.305 16.582 16.582 758 2HB ASP 100 1HB ASP 100 5.983 16.893 16.893 759 H GLN 101 H GLN 101 7.109 16.141 16.141 760 HA GLN 101 HA GLN 101 7.735 18.167 18.167 761 1HB GLN 101 2HB GLN 101 7.249 15.178 15.178 762 2HB GLN 101 1HB GLN 101 7.457 16.094 16.094 763 1HG GLN 101 2HG GLN 101 5.370 16.637 16.637 764 2HG GLN 101 1HG GLN 101 5.093 15.907 15.907 765 1HE2 GLN 101 2HE2 GLN 101 6.136 19.413 19.413 766 2HE2 GLN 101 1HE2 GLN 101 7.187 18.079 18.079 767 H LYS 102 H LYS 102 9.659 15.300 15.300 768 HA LYS 102 HA LYS 102 11.728 15.839 15.839 769 1HB LYS 102 2HB LYS 102 12.944 14.162 14.162 770 2HB LYS 102 1HB LYS 102 11.261 13.773 13.773 771 1HG LYS 102 2HG LYS 102 11.482 14.913 14.913 772 2HG LYS 102 1HG LYS 102 13.219 15.039 15.039 773 1HD LYS 102 2HD LYS 102 13.131 12.458 12.458 774 2HD LYS 102 1HD LYS 102 11.498 12.503 12.503 775 1HE LYS 102 2HE LYS 102 12.916 11.952 11.952 776 2HE LYS 102 1HE LYS 102 12.401 13.625 13.625 777 1HZ LYS 102 2HZ LYS 102 14.689 13.588 13.588 778 2HZ LYS 102 1HZ LYS 102 14.998 12.680 12.680 779 3HZ LYS 102 3HZ LYS 102 14.500 14.297 14.297 780 H VAL 103 H VAL 103 10.987 17.146 17.146 781 HA VAL 103 HA VAL 103 13.603 18.633 18.633 782 HB VAL 103 HB VAL 103 11.364 18.496 18.496 783 1HG1 VAL 103 3HG1 VAL 103 14.237 19.527 19.527 784 2HG1 VAL 103 2HG1 VAL 103 13.068 19.372 19.372 785 3HG1 VAL 103 1HG1 VAL 103 12.794 20.523 20.523 786 1HG2 VAL 103 1HG2 VAL 103 14.027 17.011 17.011 787 2HG2 VAL 103 3HG2 VAL 103 12.427 16.313 16.313 788 3HG2 VAL 103 2HG2 VAL 103 12.879 16.947 16.947 789 H LEU 104 H LEU 104 10.390 19.104 19.104 790 HA LEU 104 HA LEU 104 10.492 22.045 22.045 791 1HB LEU 104 2HB LEU 104 8.571 20.696 20.696 792 2HB LEU 104 1HB LEU 104 8.281 20.147 20.147 793 HG LEU 104 HG LEU 104 8.315 23.138 23.138 794 1HD1 LEU 104 3HD1 LEU 104 5.971 21.285 21.285 795 2HD1 LEU 104 2HD1 LEU 104 5.923 23.044 23.044 796 3HD1 LEU 104 1HD1 LEU 104 6.917 22.202 22.202 797 1HD2 LEU 104 2HD2 LEU 104 6.542 21.260 21.260 798 2HD2 LEU 104 1HD2 LEU 104 7.931 22.131 22.131 799 3HD2 LEU 104 3HD2 LEU 104 6.534 23.016 23.016 800 H ASN 105 H ASN 105 10.480 19.712 19.712 801 HA ASN 105 HA ASN 105 10.997 22.019 22.019 802 1HB ASN 105 2HB ASN 105 8.623 20.337 20.337 803 2HB ASN 105 1HB ASN 105 9.408 20.300 20.300 804 1HD2 ASN 105 2HD2 ASN 105 7.938 23.436 23.436 805 2HD2 ASN 105 1HD2 ASN 105 8.388 21.925 21.925 806 HA PRO 106 HA PRO 106 14.311 19.784 19.784 807 1HB PRO 106 2HB PRO 106 14.697 21.186 21.186 808 2HB PRO 106 1HB PRO 106 15.025 21.885 21.885 809 1HG PRO 106 2HG PRO 106 12.424 22.122 22.122 810 2HG PRO 106 1HG PRO 106 13.414 23.434 23.434 811 1HD PRO 106 2HD PRO 106 11.311 22.591 22.591 812 2HD PRO 106 1HD PRO 106 12.842 22.898 22.898 813 H SER 107 H SER 107 11.339 19.856 19.856 814 HA SER 107 HA SER 107 12.029 17.806 17.806 815 1HB SER 107 2HB SER 107 10.656 19.683 19.683 816 2HB SER 107 1HB SER 107 9.492 19.511 19.511 817 HG SER 107 HG SER 107 9.556 18.201 18.201 818 H ALA 108 H ALA 108 9.943 18.517 18.517 819 HA ALA 108 HA ALA 108 8.349 16.341 16.341 820 1HB ALA 108 1HB ALA 108 9.928 17.779 17.779 821 2HB ALA 108 3HB ALA 108 8.554 16.734 16.734 822 3HB ALA 108 2HB ALA 108 8.343 18.255 18.255 823 H VAL 109 H VAL 109 11.726 16.751 16.751 824 HA VAL 109 HA VAL 109 12.298 14.467 14.467 825 HB VAL 109 HB VAL 109 14.588 14.499 14.499 826 1HG1 VAL 109 3HG1 VAL 109 14.027 16.390 16.390 827 2HG1 VAL 109 2HG1 VAL 109 13.501 17.348 17.348 828 3HG1 VAL 109 1HG1 VAL 109 15.184 16.901 16.901 829 1HG2 VAL 109 1HG2 VAL 109 13.591 16.249 16.249 830 2HG2 VAL 109 3HG2 VAL 109 14.212 14.613 14.613 831 3HG2 VAL 109 2HG2 VAL 109 15.268 15.907 15.907 832 H SER 110 H SER 110 11.982 14.740 14.740 833 HA SER 110 HA SER 110 12.577 12.022 12.022 834 1HB SER 110 2HB SER 110 10.785 13.966 13.966 835 2HB SER 110 1HB SER 110 11.929 12.773 12.773 836 HG SER 110 HG SER 110 12.376 15.290 15.290 837 H LEU 111 H LEU 111 9.600 13.845 13.845 838 HA LEU 111 HA LEU 111 7.607 11.909 11.909 839 1HB LEU 111 2HB LEU 111 6.708 14.032 14.032 840 2HB LEU 111 1HB LEU 111 7.850 14.471 14.471 841 HG LEU 111 HG LEU 111 5.395 12.743 12.743 842 1HD1 LEU 111 2HD1 LEU 111 5.952 15.694 15.694 843 2HD1 LEU 111 1HD1 LEU 111 4.501 14.849 14.849 844 3HD1 LEU 111 3HD1 LEU 111 4.825 15.103 15.103 845 1HD2 LEU 111 2HD2 LEU 111 7.229 14.196 14.196 846 2HD2 LEU 111 1HD2 LEU 111 7.074 12.462 12.462 847 3HD2 LEU 111 3HD2 LEU 111 5.730 13.401 13.401 848 H HIS 112 H HIS 112 9.319 12.567 12.567 849 HA HIS 112 HA HIS 112 7.920 10.441 10.441 850 1HB HIS 112 2HB HIS 112 8.813 11.344 11.344 851 2HB HIS 112 1HB HIS 112 9.161 12.657 12.657 852 HD1 HIS 112 HD1 HIS 112 11.216 9.496 9.496 853 HD2 HIS 112 HD2 HIS 112 11.395 13.530 13.530 854 HE1 HIS 112 HE1 HIS 112 13.588 10.089 10.089 855 H SER 113 H SER 113 11.182 10.500 10.500 856 HA SER 113 HA SER 113 12.103 8.058 8.058 857 1HB SER 113 2HB SER 113 13.324 7.660 7.660 858 2HB SER 113 1HB SER 113 13.380 9.400 9.400 859 HG SER 113 HG SER 113 11.745 9.739 9.739 860 H LYS 114 H LYS 114 9.948 8.640 8.640 861 HA LYS 114 HA LYS 114 9.208 5.958 5.958 862 1HB LYS 114 2HB LYS 114 8.514 8.162 8.162 863 2HB LYS 114 1HB LYS 114 7.253 8.314 8.314 864 1HG LYS 114 2HG LYS 114 6.158 7.172 7.172 865 2HG LYS 114 1HG LYS 114 6.582 5.883 5.883 866 1HD LYS 114 2HD LYS 114 8.760 5.620 5.620 867 2HD LYS 114 1HD LYS 114 7.939 6.665 6.665 868 1HE LYS 114 2HE LYS 114 7.326 4.469 4.469 869 2HE LYS 114 1HE LYS 114 5.929 5.026 5.026 870 1HZ LYS 114 1HZ LYS 114 7.759 3.786 3.786 871 2HZ LYS 114 3HZ LYS 114 7.455 2.749 2.749 872 3HZ LYS 114 2HZ LYS 114 6.175 3.328 3.328 873 H LEU 115 H LEU 115 7.684 8.306 8.306 874 HA LEU 115 HA LEU 115 5.694 6.637 6.637 875 1HB LEU 115 2HB LEU 115 7.316 8.709 8.709 876 2HB LEU 115 1HB LEU 115 5.805 8.017 8.017 877 HG LEU 115 HG LEU 115 6.172 9.732 9.732 878 1HD1 LEU 115 3HD1 LEU 115 4.736 10.355 10.355 879 2HD1 LEU 115 2HD1 LEU 115 4.731 11.361 11.361 880 3HD1 LEU 115 1HD1 LEU 115 6.216 11.099 11.099 881 1HD2 LEU 115 2HD2 LEU 115 3.726 8.381 8.381 882 2HD2 LEU 115 1HD2 LEU 115 4.505 8.105 8.105 883 3HD2 LEU 115 3HD2 LEU 115 3.711 9.643 9.643 884 H ASN 116 H ASN 116 9.054 6.920 6.920 885 HA ASN 116 HA ASN 116 9.128 5.357 5.357 886 1HB ASN 116 2HB ASN 116 11.201 5.249 5.249 887 2HB ASN 116 1HB ASN 116 11.398 4.527 4.527 888 1HD2 ASN 116 2HD2 ASN 116 12.711 7.401 7.401 889 2HD2 ASN 116 1HD2 ASN 116 12.615 5.698 5.698 890 H ALA 117 H ALA 117 9.482 4.273 4.273 891 HA ALA 117 HA ALA 117 9.622 1.538 1.538 892 1HB ALA 117 2HB ALA 117 8.373 2.592 2.592 893 2HB ALA 117 1HB ALA 117 8.819 0.922 0.922 894 3HB ALA 117 3HB ALA 117 10.073 2.148 2.148 895 H THR 118 H THR 118 6.780 3.291 3.291 896 HA THR 118 HA THR 118 4.911 1.260 1.260 897 HB THR 118 HB THR 118 3.322 3.452 3.452 898 HG1 THR 118 HG1 THR 118 5.520 4.514 4.514 899 1HG2 THR 118 3HG2 THR 118 4.760 3.221 3.221 900 2HG2 THR 118 2HG2 THR 118 3.244 4.049 4.049 901 3HG2 THR 118 1HG2 THR 118 3.321 2.295 2.295 902 H ILE 119 H ILE 119 6.147 3.364 3.364 903 HA ILE 119 HA ILE 119 4.407 2.326 2.326 904 HB ILE 119 HB ILE 119 6.984 3.923 3.923 905 1HG1 ILE 119 2HG1 ILE 119 4.099 4.910 4.910 906 2HG1 ILE 119 1HG1 ILE 119 4.870 4.850 4.850 907 1HG2 ILE 119 3HG2 ILE 119 4.828 3.472 3.472 908 2HG2 ILE 119 2HG2 ILE 119 6.186 4.573 4.573 909 3HG2 ILE 119 1HG2 ILE 119 6.461 2.842 2.842 910 1HD1 ILE 119 2HD1 ILE 119 6.698 6.321 6.321 911 2HD1 ILE 119 1HD1 ILE 119 5.877 6.441 6.441 912 3HD1 ILE 119 3HD1 ILE 119 5.139 7.099 7.099 913 H ASP 120 H ASP 120 7.753 1.566 1.566 914 HA ASP 120 HA ASP 120 8.164 -0.273 -0.273 915 1HB ASP 120 2HB ASP 120 10.062 0.898 0.898 916 2HB ASP 120 1HB ASP 120 9.705 -0.051 -0.051 917 H VAL 121 H VAL 121 7.516 -0.686 -0.686 918 HA VAL 121 HA VAL 121 7.383 -3.519 -3.519 919 HB VAL 121 HB VAL 121 6.226 -3.209 -3.209 920 1HG1 VAL 121 2HG1 VAL 121 8.259 -1.020 -1.020 921 2HG1 VAL 121 1HG1 VAL 121 7.709 -1.656 -1.656 922 3HG1 VAL 121 3HG1 VAL 121 8.558 -2.689 -2.689 923 1HG2 VAL 121 3HG2 VAL 121 5.639 -0.406 -0.406 924 2HG2 VAL 121 2HG2 VAL 121 4.465 -1.675 -1.675 925 3HG2 VAL 121 1HG2 VAL 121 5.292 -1.072 -1.072 926 H MET 122 H MET 122 5.128 -0.977 -0.977 927 HA MET 122 HA MET 122 2.783 -2.535 -2.535 928 1HB MET 122 2HB MET 122 3.763 0.176 0.176 929 2HB MET 122 1HB MET 122 2.456 -0.529 -0.529 930 1HG MET 122 2HG MET 122 1.089 -0.632 -0.632 931 2HG MET 122 1HG MET 122 2.434 -0.294 -0.294 932 1HE MET 122 2HE MET 122 -0.079 0.647 0.647 933 2HE MET 122 1HE MET 122 0.533 2.114 2.114 934 3HE MET 122 3HE MET 122 -0.610 2.185 2.185 935 H ARG 123 H ARG 123 5.328 -1.317 -1.317 936 HA ARG 123 HA ARG 123 4.575 -2.399 -2.399 937 1HB ARG 123 2HB ARG 123 6.741 -1.136 -1.136 938 2HB ARG 123 1HB ARG 123 7.372 -2.438 -2.438 939 1HG ARG 123 2HG ARG 123 8.453 -2.767 -2.767 940 2HG ARG 123 1HG ARG 123 7.181 -3.950 -3.950 941 1HD ARG 123 2HD ARG 123 6.252 -3.004 -3.004 942 2HD ARG 123 1HD ARG 123 6.328 -1.392 -1.392 943 HE ARG 123 HE ARG 123 8.700 -2.852 -2.852 944 1HH1 ARG 123 2HH1 ARG 123 6.921 0.061 0.061 945 2HH1 ARG 123 1HH1 ARG 123 8.014 1.054 1.054 946 1HH2 ARG 123 1HH2 ARG 123 10.200 -1.635 -1.635 947 2HH2 ARG 123 2HH2 ARG 123 9.951 0.039 0.039 948 H GLY 124 H GLY 124 6.403 -4.041 -4.041 949 1HA GLY 124 2HA GLY 124 6.365 -6.657 -6.657 950 2HA GLY 124 1HA GLY 124 6.561 -6.333 -6.333 951 H LEU 125 H LEU 125 4.249 -5.142 -5.142 952 HA LEU 125 HA LEU 125 2.423 -7.259 -7.259 953 1HB LEU 125 2HB LEU 125 2.803 -4.634 -4.634 954 2HB LEU 125 1HB LEU 125 1.373 -4.438 -4.438 955 HG LEU 125 HG LEU 125 1.615 -6.475 -6.475 956 1HD1 LEU 125 3HD1 LEU 125 1.899 -4.135 -4.135 957 2HD1 LEU 125 2HD1 LEU 125 0.392 -3.656 -3.656 958 3HD1 LEU 125 1HD1 LEU 125 0.404 -4.873 -4.873 959 1HD2 LEU 125 1HD2 LEU 125 -0.698 -5.220 -5.220 960 2HD2 LEU 125 3HD2 LEU 125 -0.187 -6.879 -6.879 961 3HD2 LEU 125 2HD2 LEU 125 -0.879 -6.380 -6.380 962 H LEU 126 H LEU 126 2.251 -4.808 -4.808 963 HA LEU 126 HA LEU 126 -0.106 -5.895 -5.895 964 1HB LEU 126 2HB LEU 126 2.097 -4.037 -4.037 965 2HB LEU 126 1HB LEU 126 1.050 -4.694 -4.694 966 HG LEU 126 HG LEU 126 -0.882 -3.965 -3.965 967 1HD1 LEU 126 3HD1 LEU 126 0.665 -3.206 -3.206 968 2HD1 LEU 126 2HD1 LEU 126 1.301 -1.981 -1.981 969 3HD1 LEU 126 1HD1 LEU 126 -0.393 -1.992 -1.992 970 1HD2 LEU 126 1HD2 LEU 126 -0.566 -2.922 -2.922 971 2HD2 LEU 126 3HD2 LEU 126 -1.153 -1.925 -1.925 972 3HD2 LEU 126 2HD2 LEU 126 0.515 -1.762 -1.762 973 H SER 127 H SER 127 3.286 -6.237 -6.237 974 HA SER 127 HA SER 127 3.245 -8.024 -8.024 975 1HB SER 127 2HB SER 127 5.342 -7.119 -7.119 976 2HB SER 127 1HB SER 127 5.138 -8.361 -8.361 977 HG SER 127 HG SER 127 6.263 -8.727 -8.727 978 H ASN 128 H ASN 128 3.250 -8.808 -8.808 979 HA ASN 128 HA ASN 128 2.819 -11.569 -11.569 980 1HB ASN 128 2HB ASN 128 2.193 -9.332 -9.332 981 2HB ASN 128 1HB ASN 128 1.607 -10.929 -10.929 982 1HD2 ASN 128 2HD2 ASN 128 5.465 -10.095 -10.095 983 2HD2 ASN 128 1HD2 ASN 128 4.343 -8.894 -8.894 984 H VAL 129 H VAL 129 0.434 -8.883 -8.883 985 HA VAL 129 HA VAL 129 -1.742 -10.693 -10.693 986 HB VAL 129 HB VAL 129 -1.315 -7.824 -7.824 987 1HG1 VAL 129 1HG1 VAL 129 -3.894 -9.354 -9.354 988 2HG1 VAL 129 3HG1 VAL 129 -3.895 -7.619 -7.619 989 3HG1 VAL 129 2HG1 VAL 129 -3.042 -8.336 -8.336 990 1HG2 VAL 129 3HG2 VAL 129 -3.028 -9.327 -9.327 991 2HG2 VAL 129 2HG2 VAL 129 -1.484 -8.537 -8.537 992 3HG2 VAL 129 1HG2 VAL 129 -2.882 -7.576 -7.576 993 H LEU 130 H LEU 130 -0.589 -8.782 -8.782 994 HA LEU 130 HA LEU 130 -2.253 -10.008 -10.008 995 1HB LEU 130 2HB LEU 130 -0.460 -7.885 -7.885 996 2HB LEU 130 1HB LEU 130 0.401 -9.055 -9.055 997 HG LEU 130 HG LEU 130 -0.964 -7.616 -7.616 998 1HD1 LEU 130 1HD1 LEU 130 -0.906 -10.019 -10.019 999 2HD1 LEU 130 3HD1 LEU 130 -2.386 -10.323 -10.323 1000 3HD1 LEU 130 2HD1 LEU 130 -2.393 -9.243 -9.243 1001 1HD2 LEU 130 3HD2 LEU 130 -2.664 -6.884 -6.884 1002 2HD2 LEU 130 2HD2 LEU 130 -3.395 -7.502 -7.502 1003 3HD2 LEU 130 1HD2 LEU 130 -3.412 -8.472 -8.472 1004 H CYS 131 H CYS 131 0.703 -11.130 -11.130 1005 HA CYS 131 HA CYS 131 1.041 -13.148 -13.148 1006 1HB CYS 131 2HB CYS 131 2.984 -13.813 -13.813 1007 2HB CYS 131 1HB CYS 131 2.958 -12.093 -12.093 1008 H ARG 132 H ARG 132 -0.236 -12.810 -12.810 1009 HA ARG 132 HA ARG 132 -0.786 -15.631 -15.631 1010 1HB ARG 132 2HB ARG 132 -1.027 -13.591 -13.591 1011 2HB ARG 132 1HB ARG 132 -2.707 -13.767 -13.767 1012 1HG ARG 132 2HG ARG 132 -2.554 -15.440 -15.440 1013 2HG ARG 132 1HG ARG 132 -2.270 -16.355 -16.355 1014 1HD ARG 132 2HD ARG 132 -0.536 -16.771 -16.771 1015 2HD ARG 132 1HD ARG 132 0.128 -16.286 -16.286 1016 HE ARG 132 HE ARG 132 -0.478 -14.023 -14.023 1017 1HH1 ARG 132 2HH1 ARG 132 1.843 -16.383 -16.383 1018 2HH1 ARG 132 1HH1 ARG 132 3.228 -15.475 -15.475 1019 1HH2 ARG 132 1HH2 ARG 132 1.233 -12.760 -12.760 1020 2HH2 ARG 132 2HH2 ARG 132 2.845 -13.282 -13.282 1021 H LEU 133 H LEU 133 -2.922 -12.949 -12.949 1022 HA LEU 133 HA LEU 133 -5.372 -13.944 -13.944 1023 1HB LEU 133 2HB LEU 133 -3.796 -12.041 -12.041 1024 2HB LEU 133 1HB LEU 133 -5.495 -12.333 -12.333 1025 HG LEU 133 HG LEU 133 -4.414 -11.468 -11.468 1026 1HD1 LEU 133 2HD1 LEU 133 -5.680 -9.650 -9.650 1027 2HD1 LEU 133 1HD1 LEU 133 -5.325 -9.202 -9.202 1028 3HD1 LEU 133 3HD1 LEU 133 -4.016 -9.603 -9.603 1029 1HD2 LEU 133 1HD2 LEU 133 -7.261 -11.490 -11.490 1030 2HD2 LEU 133 3HD2 LEU 133 -6.610 -12.520 -12.520 1031 3HD2 LEU 133 2HD2 LEU 133 -6.785 -10.813 -10.813 1032 H CYS 134 H CYS 134 -2.961 -14.250 -14.250 1033 HA CYS 134 HA CYS 134 -4.117 -15.626 -15.626 1034 1HB CYS 134 2HB CYS 134 -1.620 -16.608 -16.608 1035 2HB CYS 134 1HB CYS 134 -2.026 -16.839 -16.839 1036 H ASN 135 H ASN 135 -3.222 -17.052 -17.052 1037 HA ASN 135 HA ASN 135 -3.673 -19.699 -19.699 1038 1HB ASN 135 2HB ASN 135 -4.872 -17.667 -17.667 1039 2HB ASN 135 1HB ASN 135 -5.149 -19.373 -19.373 1040 1HD2 ASN 135 2HD2 ASN 135 -1.181 -18.637 -18.637 1041 2HD2 ASN 135 1HD2 ASN 135 -1.885 -18.323 -18.323 1042 H LYS 136 H LYS 136 -6.357 -17.455 -17.455 1043 HA LYS 136 HA LYS 136 -8.030 -19.288 -19.288 1044 1HB LYS 136 2HB LYS 136 -8.909 -18.070 -18.070 1045 2HB LYS 136 1HB LYS 136 -9.960 -18.964 -18.964 1046 1HG LYS 136 2HG LYS 136 -8.385 -20.975 -20.975 1047 2HG LYS 136 1HG LYS 136 -7.486 -20.059 -20.059 1048 1HD LYS 136 2HD LYS 136 -8.921 -21.639 -21.639 1049 2HD LYS 136 1HD LYS 136 -9.438 -20.023 -20.023 1050 1HE LYS 136 2HE LYS 136 -10.746 -21.661 -21.661 1051 2HE LYS 136 1HE LYS 136 -11.260 -21.813 -21.813 1052 1HZ LYS 136 1HZ LYS 136 -11.187 -19.087 -19.087 1053 2HZ LYS 136 3HZ LYS 136 -11.967 -19.824 -19.824 1054 3HZ LYS 136 2HZ LYS 136 -12.552 -20.067 -20.067 1055 H TYR 137 H TYR 137 -6.706 -16.549 -16.549 1056 HA TYR 137 HA TYR 137 -9.065 -15.159 -15.159 1057 1HB TYR 137 2HB TYR 137 -6.870 -13.903 -13.903 1058 2HB TYR 137 1HB TYR 137 -8.111 -13.005 -13.005 1059 HD1 TYR 137 HD1 TYR 137 -10.612 -13.791 -13.791 1060 HD2 TYR 137 HD2 TYR 137 -7.300 -14.572 -14.572 1061 HE1 TYR 137 HE1 TYR 137 -12.131 -14.083 -14.083 1062 HE2 TYR 137 HE2 TYR 137 -8.800 -14.850 -14.850 1063 HH TYR 137 HH TYR 137 -11.369 -15.314 -15.314 1064 H ARG 138 H ARG 138 -7.647 -16.738 -16.738 1065 HA ARG 138 HA ARG 138 -5.502 -15.229 -15.229 1066 1HB ARG 138 2HB ARG 138 -5.158 -17.462 -17.462 1067 2HB ARG 138 1HB ARG 138 -4.890 -17.519 -17.519 1068 1HG ARG 138 2HG ARG 138 -7.202 -18.491 -18.491 1069 2HG ARG 138 1HG ARG 138 -7.490 -18.394 -18.394 1070 1HD ARG 138 2HD ARG 138 -5.745 -19.992 -19.992 1071 2HD ARG 138 1HD ARG 138 -5.164 -20.015 -20.015 1072 HE ARG 138 HE ARG 138 -7.493 -21.444 -21.444 1073 1HH1 ARG 138 2HH1 ARG 138 -6.053 -19.974 -19.974 1074 2HH1 ARG 138 1HH1 ARG 138 -6.681 -20.975 -20.975 1075 1HH2 ARG 138 1HH2 ARG 138 -8.554 -22.832 -22.832 1076 2HH2 ARG 138 2HH2 ARG 138 -8.249 -22.679 -22.679 1077 H VAL 139 H VAL 139 -7.698 -14.040 -14.040 1078 HA VAL 139 HA VAL 139 -8.904 -14.783 -14.783 1079 HB VAL 139 HB VAL 139 -10.552 -15.017 -15.017 1080 1HG1 VAL 139 1HG1 VAL 139 -9.525 -13.560 -13.560 1081 2HG1 VAL 139 3HG1 VAL 139 -10.003 -12.132 -12.132 1082 3HG1 VAL 139 2HG1 VAL 139 -11.215 -13.200 -13.200 1083 1HG2 VAL 139 3HG2 VAL 139 -11.419 -14.020 -14.020 1084 2HG2 VAL 139 2HG2 VAL 139 -12.290 -13.384 -13.384 1085 3HG2 VAL 139 1HG2 VAL 139 -11.067 -12.409 -12.409 1086 H GLY 140 H GLY 140 -8.239 -11.947 -11.947 1087 1HA GLY 140 2HA GLY 140 -6.794 -10.146 -10.146 1088 2HA GLY 140 1HA GLY 140 -7.602 -10.395 -10.395 1089 H HIS 141 H HIS 141 -8.552 -9.802 -9.802 1090 HA HIS 141 HA HIS 141 -10.196 -7.474 -7.474 1091 1HB HIS 141 2HB HIS 141 -12.093 -8.288 -8.288 1092 2HB HIS 141 1HB HIS 141 -11.653 -9.494 -9.494 1093 HD1 HIS 141 HD1 HIS 141 -12.836 -11.029 -11.029 1094 HD2 HIS 141 HD2 HIS 141 -9.133 -9.631 -9.631 1095 HE1 HIS 141 HE1 HIS 141 -12.047 -12.437 -12.437 1096 H VAL 142 H VAL 142 -7.701 -7.286 -7.286 1097 HA VAL 142 HA VAL 142 -8.359 -6.751 -6.751 1098 HB VAL 142 HB VAL 142 -6.172 -7.749 -7.749 1099 1HG1 VAL 142 2HG1 VAL 142 -5.839 -6.869 -6.869 1100 2HG1 VAL 142 1HG1 VAL 142 -5.557 -5.257 -5.257 1101 3HG1 VAL 142 3HG1 VAL 142 -4.451 -6.554 -6.554 1102 1HG2 VAL 142 3HG2 VAL 142 -5.929 -4.857 -4.857 1103 2HG2 VAL 142 2HG2 VAL 142 -6.211 -6.232 -6.232 1104 3HG2 VAL 142 1HG2 VAL 142 -4.673 -6.045 -6.045 1105 H ASP 143 H ASP 143 -7.488 -5.120 -5.120 1106 HA ASP 143 HA ASP 143 -7.371 -2.869 -2.869 1107 1HB ASP 143 2HB ASP 143 -9.721 -1.759 -1.759 1108 2HB ASP 143 1HB ASP 143 -9.509 -2.284 -2.284 1109 H VAL 144 H VAL 144 -5.785 -1.683 -1.683 1110 HA VAL 144 HA VAL 144 -6.132 -0.269 -0.269 1111 HB VAL 144 HB VAL 144 -3.702 -0.614 -0.614 1112 1HG1 VAL 144 1HG1 VAL 144 -5.310 -3.126 -3.126 1113 2HG1 VAL 144 3HG1 VAL 144 -3.951 -3.134 -3.134 1114 3HG1 VAL 144 2HG1 VAL 144 -5.409 -2.263 -2.263 1115 1HG2 VAL 144 3HG2 VAL 144 -3.796 -2.382 -2.382 1116 2HG2 VAL 144 2HG2 VAL 144 -2.913 -0.870 -0.870 1117 3HG2 VAL 144 1HG2 VAL 144 -2.448 -2.241 -2.241 1118 HA PRO 145 HA PRO 145 -5.316 2.935 2.935 1119 1HB PRO 145 2HB PRO 145 -7.434 4.552 4.552 1120 2HB PRO 145 1HB PRO 145 -7.637 2.993 2.993 1121 1HG PRO 145 2HG PRO 145 -8.072 3.620 3.620 1122 2HG PRO 145 1HG PRO 145 -9.211 2.859 2.859 1123 1HD PRO 145 2HD PRO 145 -7.531 1.377 1.377 1124 2HD PRO 145 1HD PRO 145 -8.021 0.775 0.775 1125 HA PRO 146 HA PRO 146 -3.522 5.715 5.715 1126 1HB PRO 146 2HB PRO 146 -2.264 7.448 7.448 1127 2HB PRO 146 1HB PRO 146 -1.766 5.750 5.750 1128 1HG PRO 146 2HG PRO 146 -3.717 7.144 7.144 1129 2HG PRO 146 1HG PRO 146 -2.312 6.160 6.160 1130 1HD PRO 146 2HD PRO 146 -4.859 5.080 5.080 1131 2HD PRO 146 1HD PRO 146 -3.426 4.114 4.114 1132 H VAL 147 H VAL 147 -5.745 6.293 6.293 1133 HA VAL 147 HA VAL 147 -6.726 8.886 8.886 1134 HB VAL 147 HB VAL 147 -8.200 7.079 7.079 1135 1HG1 VAL 147 2HG1 VAL 147 -9.176 9.289 9.289 1136 2HG1 VAL 147 1HG1 VAL 147 -10.188 8.287 8.287 1137 3HG1 VAL 147 3HG1 VAL 147 -9.039 9.382 9.382 1138 1HG2 VAL 147 1HG2 VAL 147 -8.387 7.089 7.089 1139 2HG2 VAL 147 3HG2 VAL 147 -7.711 5.789 5.789 1140 3HG2 VAL 147 2HG2 VAL 147 -9.423 6.172 6.172 1141 HA PRO 148 HA PRO 148 -5.298 10.321 10.321 1142 1HB PRO 148 2HB PRO 148 -4.083 12.586 12.586 1143 2HB PRO 148 1HB PRO 148 -3.426 11.003 11.003 1144 1HG PRO 148 2HG PRO 148 -4.846 13.001 13.001 1145 2HG PRO 148 1HG PRO 148 -3.620 11.803 11.803 1146 1HD PRO 148 2HD PRO 148 -6.533 11.433 11.433 1147 2HD PRO 148 1HD PRO 148 -5.223 10.309 10.309 1148 H ASP 149 H ASP 149 -6.710 12.828 12.828 1149 HA ASP 149 HA ASP 149 -7.745 14.810 14.810 1150 1HB ASP 149 2HB ASP 149 -9.335 13.080 13.080 1151 2HB ASP 149 1HB ASP 149 -10.026 12.912 12.912 1152 H HIS 150 H HIS 150 -6.968 15.558 15.558 1153 HA HIS 150 HA HIS 150 -8.410 15.373 15.373 1154 1HB HIS 150 2HB HIS 150 -5.450 15.764 15.764 1155 2HB HIS 150 1HB HIS 150 -6.070 16.480 16.480 1156 HD1 HIS 150 HD1 HIS 150 -6.680 13.052 13.052 1157 HD2 HIS 150 HD2 HIS 150 -5.385 14.699 14.699 1158 HE1 HIS 150 HE1 HIS 150 -6.250 11.207 11.207 1159 H SER 151 H SER 151 -9.187 16.672 16.672 1160 HA SER 151 HA SER 151 -8.550 19.562 19.562 1161 1HB SER 151 2HB SER 151 -8.786 18.433 18.433 1162 2HB SER 151 1HB SER 151 -10.490 18.174 18.174 1163 HG SER 151 HG SER 151 -10.848 20.245 20.245 1164 H ASP 152 H ASP 152 -9.487 18.605 18.605 1165 HA ASP 152 HA ASP 152 -12.401 19.236 19.236 1166 1HB ASP 152 2HB ASP 152 -12.368 17.802 17.802 1167 2HB ASP 152 1HB ASP 152 -11.810 16.903 16.903 1168 H LYS 153 H LYS 153 -9.271 19.679 19.679 1169 HA LYS 153 HA LYS 153 -10.201 22.302 22.302 1170 1HB LYS 153 2HB LYS 153 -8.418 20.400 20.400 1171 2HB LYS 153 1HB LYS 153 -9.288 21.796 21.796 1172 1HG LYS 153 2HG LYS 153 -11.442 20.675 20.675 1173 2HG LYS 153 1HG LYS 153 -10.622 19.251 19.251 1174 1HD LYS 153 2HD LYS 153 -9.423 19.197 19.197 1175 2HD LYS 153 1HD LYS 153 -10.706 20.270 20.270 1176 1HE LYS 153 2HE LYS 153 -11.067 17.462 17.462 1177 2HE LYS 153 1HE LYS 153 -11.282 17.862 17.862 1178 1HZ LYS 153 1HZ LYS 153 -12.866 19.593 19.593 1179 2HZ LYS 153 3HZ LYS 153 -13.174 17.994 17.994 1180 3HZ LYS 153 2HZ LYS 153 -13.351 18.418 18.418 1181 H GLU 154 H GLU 154 -8.707 23.913 23.913 1182 HA GLU 154 HA GLU 154 -6.698 23.828 23.828 1183 1HB GLU 154 2HB GLU 154 -7.190 25.841 25.841 1184 2HB GLU 154 1HB GLU 154 -6.283 26.174 26.174 1185 1HG GLU 154 2HG GLU 154 -8.227 25.989 25.989 1186 2HG GLU 154 1HG GLU 154 -9.195 25.264 25.264 1187 H VAL 155 H VAL 155 -5.279 25.584 25.584 1188 HA VAL 155 HA VAL 155 -2.652 24.780 24.780 1189 HB VAL 155 HB VAL 155 -4.169 25.605 25.605 1190 1HG1 VAL 155 1HG1 VAL 155 -1.904 24.695 24.695 1191 2HG1 VAL 155 3HG1 VAL 155 -1.185 25.828 25.828 1192 3HG1 VAL 155 2HG1 VAL 155 -1.988 26.414 26.414 1193 1HG2 VAL 155 1HG2 VAL 155 -2.692 27.314 27.314 1194 2HG2 VAL 155 3HG2 VAL 155 -4.433 27.284 27.284 1195 3HG2 VAL 155 2HG2 VAL 155 -3.413 27.923 27.923 1196 H PHE 156 H PHE 156 -5.228 23.611 23.611 1197 HA PHE 156 HA PHE 156 -4.249 21.572 21.572 1198 1HB PHE 156 2HB PHE 156 -6.772 21.467 21.467 1199 2HB PHE 156 1HB PHE 156 -6.547 20.636 20.636 1200 HD1 PHE 156 HD1 PHE 156 -6.366 22.113 22.113 1201 HD2 PHE 156 HD2 PHE 156 -7.717 23.613 23.613 1202 HE1 PHE 156 HE1 PHE 156 -7.465 23.992 23.992 1203 HE2 PHE 156 HE2 PHE 156 -8.800 25.479 25.479 1204 HZ PHE 156 HZ PHE 156 -8.684 25.679 25.679 1205 H GLN 157 H GLN 157 -5.724 21.090 21.090 1206 HA GLN 157 HA GLN 157 -5.121 18.569 18.569 1207 1HB GLN 157 2HB GLN 157 -6.083 20.027 20.027 1208 2HB GLN 157 1HB GLN 157 -4.707 21.096 21.096 1209 1HG GLN 157 2HG GLN 157 -3.362 19.062 19.062 1210 2HG GLN 157 1HG GLN 157 -4.948 18.357 18.357 1211 1HE2 GLN 157 2HE2 GLN 157 -5.589 20.498 20.498 1212 2HE2 GLN 157 1HE2 GLN 157 -6.146 19.204 19.204 1213 H LYS 158 H LYS 158 -2.934 21.214 21.214 1214 HA LYS 158 HA LYS 158 -0.732 19.608 19.608 1215 1HB LYS 158 2HB LYS 158 -0.742 22.255 22.255 1216 2HB LYS 158 1HB LYS 158 0.765 21.446 21.446 1217 1HG LYS 158 2HG LYS 158 0.223 21.503 21.503 1218 2HG LYS 158 1HG LYS 158 -1.279 22.341 22.341 1219 1HD LYS 158 2HD LYS 158 -0.173 24.275 24.275 1220 2HD LYS 158 1HD LYS 158 1.376 23.481 23.481 1221 1HE LYS 158 2HE LYS 158 -0.049 24.094 24.094 1222 2HE LYS 158 1HE LYS 158 1.293 25.018 25.018 1223 1HZ LYS 158 1HZ LYS 158 2.029 22.288 22.288 1224 2HZ LYS 158 3HZ LYS 158 1.377 22.674 22.674 1225 3HZ LYS 158 2HZ LYS 158 2.691 23.553 23.553 1226 H LYS 159 H LYS 159 -1.445 20.519 20.519 1227 HA LYS 159 HA LYS 159 0.794 18.848 18.848 1228 1HB LYS 159 2HB LYS 159 -1.325 20.198 20.198 1229 2HB LYS 159 1HB LYS 159 0.187 19.518 19.518 1230 1HG LYS 159 2HG LYS 159 1.295 21.295 21.295 1231 2HG LYS 159 1HG LYS 159 -0.299 22.046 22.046 1232 1HD LYS 159 2HD LYS 159 -0.158 21.779 21.779 1233 2HD LYS 159 1HD LYS 159 1.559 21.581 21.581 1234 1HE LYS 159 2HE LYS 159 1.620 23.795 23.795 1235 2HE LYS 159 1HE LYS 159 -0.077 24.027 24.027 1236 1HZ LYS 159 1HZ LYS 159 1.326 23.116 23.116 1237 2HZ LYS 159 3HZ LYS 159 2.187 24.412 24.412 1238 3HZ LYS 159 2HZ LYS 159 0.536 24.573 24.573 1239 H LYS 160 H LYS 160 -2.631 18.467 18.467 1240 HA LYS 160 HA LYS 160 -2.474 16.079 16.079 1241 1HB LYS 160 2HB LYS 160 -4.982 16.056 16.056 1242 2HB LYS 160 1HB LYS 160 -4.549 17.731 17.731 1243 1HG LYS 160 2HG LYS 160 -4.717 18.164 18.164 1244 2HG LYS 160 1HG LYS 160 -5.186 16.514 16.514 1245 1HD LYS 160 2HD LYS 160 -7.133 16.874 16.874 1246 2HD LYS 160 1HD LYS 160 -6.664 18.557 18.557 1247 1HE LYS 160 2HE LYS 160 -8.449 18.217 18.217 1248 2HE LYS 160 1HE LYS 160 -7.014 18.846 18.846 1249 1HZ LYS 160 2HZ LYS 160 -6.900 15.984 15.984 1250 2HZ LYS 160 1HZ LYS 160 -8.393 16.542 16.542 1251 3HZ LYS 160 3HZ LYS 160 -7.078 17.065 17.065 1252 H LEU 161 H LEU 161 -2.169 16.764 16.764 1253 HA LEU 161 HA LEU 161 -3.381 14.896 14.896 1254 1HB LEU 161 2HB LEU 161 -1.358 16.246 16.246 1255 2HB LEU 161 1HB LEU 161 -0.363 15.084 15.084 1256 HG LEU 161 HG LEU 161 -1.121 13.242 13.242 1257 1HD1 LEU 161 2HD1 LEU 161 -2.845 15.343 15.343 1258 2HD1 LEU 161 1HD1 LEU 161 -2.579 13.690 13.690 1259 3HD1 LEU 161 3HD1 LEU 161 -3.477 14.002 14.002 1260 1HD2 LEU 161 2HD2 LEU 161 -0.280 15.711 15.711 1261 2HD2 LEU 161 1HD2 LEU 161 0.802 14.582 14.582 1262 3HD2 LEU 161 3HD2 LEU 161 -0.138 14.062 14.062 1263 H GLY 162 H GLY 162 -1.047 14.207 14.207 1264 1HA GLY 162 2HA GLY 162 -1.451 11.289 11.289 1265 2HA GLY 162 1HA GLY 162 -0.173 12.092 12.092 1266 H CYS 163 H CYS 163 -1.637 13.954 13.954 1267 HA CYS 163 HA CYS 163 -2.554 12.733 12.733 1268 1HB CYS 163 2HB CYS 163 -1.957 15.225 15.225 1269 2HB CYS 163 1HB CYS 163 -3.706 15.375 15.375 1270 H GLN 164 H GLN 164 -4.765 14.036 14.036 1271 HA GLN 164 HA GLN 164 -7.172 13.169 13.169 1272 1HB GLN 164 2HB GLN 164 -6.920 14.714 14.714 1273 2HB GLN 164 1HB GLN 164 -6.934 13.201 13.201 1274 1HG GLN 164 2HG GLN 164 -9.067 13.154 13.154 1275 2HG GLN 164 1HG GLN 164 -9.198 14.640 14.640 1276 1HE2 GLN 164 2HE2 GLN 164 -9.502 12.398 12.398 1277 2HE2 GLN 164 1HE2 GLN 164 -8.252 13.446 13.446 1278 H LEU 165 H LEU 165 -4.731 11.612 11.612 1279 HA LEU 165 HA LEU 165 -6.159 9.074 9.074 1280 1HB LEU 165 2HB LEU 165 -3.864 10.460 10.460 1281 2HB LEU 165 1HB LEU 165 -3.352 8.892 8.892 1282 HG LEU 165 HG LEU 165 -5.071 7.792 7.792 1283 1HD1 LEU 165 1HD1 LEU 165 -5.984 10.628 10.628 1284 2HD1 LEU 165 3HD1 LEU 165 -6.613 9.197 9.197 1285 3HD1 LEU 165 2HD1 LEU 165 -6.933 9.470 9.470 1286 1HD2 LEU 165 2HD2 LEU 165 -2.938 8.575 8.575 1287 2HD2 LEU 165 1HD2 LEU 165 -4.275 8.551 8.551 1288 3HD2 LEU 165 3HD2 LEU 165 -3.751 10.065 10.065 1289 H LEU 166 H LEU 166 -3.447 10.489 10.489 1290 HA LEU 166 HA LEU 166 -3.133 7.998 7.998 1291 1HB LEU 166 2HB LEU 166 -2.573 10.855 10.855 1292 2HB LEU 166 1HB LEU 166 -2.686 9.774 9.774 1293 HG LEU 166 HG LEU 166 -0.296 9.938 9.938 1294 1HD1 LEU 166 1HD1 LEU 166 -1.662 7.194 7.194 1295 2HD1 LEU 166 3HD1 LEU 166 0.036 7.384 7.384 1296 3HD1 LEU 166 2HD1 LEU 166 -0.901 7.829 7.829 1297 1HD2 LEU 166 3HD2 LEU 166 -0.864 10.037 10.037 1298 2HD2 LEU 166 2HD2 LEU 166 0.228 8.724 8.724 1299 3HD2 LEU 166 1HD2 LEU 166 -1.460 8.379 8.379 1300 H GLY 167 H GLY 167 -5.576 10.526 10.526 1301 1HA GLY 167 2HA GLY 167 -6.682 9.258 9.258 1302 2HA GLY 167 1HA GLY 167 -7.612 10.226 10.226 1303 H THR 168 H THR 168 -8.061 9.077 9.077 1304 HA THR 168 HA THR 168 -9.814 6.847 6.847 1305 HB THR 168 HB THR 168 -8.668 6.191 6.191 1306 HG1 THR 168 HG1 THR 168 -7.950 8.894 8.894 1307 1HG2 THR 168 2HG2 THR 168 -10.263 8.743 8.743 1308 2HG2 THR 168 1HG2 THR 168 -9.952 7.768 7.768 1309 3HG2 THR 168 3HG2 THR 168 -10.891 7.088 7.088 1310 H TYR 169 H TYR 169 -6.588 6.717 6.717 1311 HA TYR 169 HA TYR 169 -5.890 4.078 4.078 1312 1HB TYR 169 2HB TYR 169 -4.385 5.911 5.911 1313 2HB TYR 169 1HB TYR 169 -4.285 6.344 6.344 1314 HD1 TYR 169 HD1 TYR 169 -3.452 3.598 3.598 1315 HD2 TYR 169 HD2 TYR 169 -2.603 5.491 5.491 1316 HE1 TYR 169 HE1 TYR 169 -1.463 2.234 2.234 1317 HE2 TYR 169 HE2 TYR 169 -0.567 4.126 4.126 1318 HH TYR 169 HH TYR 169 0.942 3.327 3.327 1319 H LYS 170 H LYS 170 -5.623 6.053 6.053 1320 HA LYS 170 HA LYS 170 -5.050 3.761 3.761 1321 1HB LYS 170 2HB LYS 170 -4.485 6.001 6.001 1322 2HB LYS 170 1HB LYS 170 -6.123 6.556 6.556 1323 1HG LYS 170 2HG LYS 170 -5.598 4.290 4.290 1324 2HG LYS 170 1HG LYS 170 -5.032 5.900 5.900 1325 1HD LYS 170 2HD LYS 170 -7.265 6.837 6.837 1326 2HD LYS 170 1HD LYS 170 -7.872 5.242 5.242 1327 1HE LYS 170 2HE LYS 170 -7.557 4.448 4.448 1328 2HE LYS 170 1HE LYS 170 -6.730 5.931 5.931 1329 1HZ LYS 170 1HZ LYS 170 -9.168 6.636 6.636 1330 2HZ LYS 170 3HZ LYS 170 -9.503 5.446 5.446 1331 3HZ LYS 170 2HZ LYS 170 -8.704 6.880 6.880 1332 H GLN 171 H GLN 171 -8.210 5.238 5.238 1333 HA GLN 171 HA GLN 171 -9.596 3.388 3.388 1334 1HB GLN 171 2HB GLN 171 -10.628 5.557 5.557 1335 2HB GLN 171 1HB GLN 171 -10.739 4.951 4.951 1336 1HG GLN 171 2HG GLN 171 -12.342 3.210 3.210 1337 2HG GLN 171 1HG GLN 171 -12.060 3.553 3.553 1338 1HE2 GLN 171 2HE2 GLN 171 -14.979 5.537 5.537 1339 2HE2 GLN 171 1HE2 GLN 171 -14.396 4.043 4.043 1340 H VAL 172 H VAL 172 -8.792 3.223 3.223 1341 HA VAL 172 HA VAL 172 -10.263 0.728 0.728 1342 HB VAL 172 HB VAL 172 -9.672 1.191 1.191 1343 1HG1 VAL 172 2HG1 VAL 172 -10.178 3.792 3.792 1344 2HG1 VAL 172 1HG1 VAL 172 -10.335 3.668 3.668 1345 3HG1 VAL 172 3HG1 VAL 172 -11.374 2.709 2.709 1346 1HG2 VAL 172 1HG2 VAL 172 -7.646 3.170 3.170 1347 2HG2 VAL 172 3HG2 VAL 172 -7.230 1.661 1.661 1348 3HG2 VAL 172 2HG2 VAL 172 -8.034 2.937 2.937 1349 H ILE 173 H ILE 173 -6.804 1.683 1.683 1350 HA ILE 173 HA ILE 173 -5.615 -0.829 -0.829 1351 HB ILE 173 HB ILE 173 -4.761 1.542 1.542 1352 1HG1 ILE 173 2HG1 ILE 173 -4.935 1.915 1.915 1353 2HG1 ILE 173 1HG1 ILE 173 -3.307 1.999 1.999 1354 1HG2 ILE 173 3HG2 ILE 173 -3.568 -0.367 -0.367 1355 2HG2 ILE 173 2HG2 ILE 173 -2.953 -0.708 -0.708 1356 3HG2 ILE 173 1HG2 ILE 173 -2.516 0.778 0.778 1357 1HD1 ILE 173 3HD1 ILE 173 -4.526 -0.455 -0.455 1358 2HD1 ILE 173 2HD1 ILE 173 -3.472 0.715 0.715 1359 3HD1 ILE 173 1HD1 ILE 173 -2.860 -0.312 -0.312 1360 H SER 174 H SER 174 -6.926 0.684 0.684 1361 HA SER 174 HA SER 174 -6.178 -1.441 -1.441 1362 1HB SER 174 2HB SER 174 -6.643 0.865 0.865 1363 2HB SER 174 1HB SER 174 -8.354 0.667 0.667 1364 HG SER 174 HG SER 174 -8.169 -1.355 -1.355 1365 H VAL 175 H VAL 175 -7.970 -1.719 -1.719 1366 HA VAL 175 HA VAL 175 -9.910 -3.683 -3.683 1367 HB VAL 175 HB VAL 175 -10.325 -1.518 -1.518 1368 1HG1 VAL 175 2HG1 VAL 175 -11.849 -4.129 -4.129 1369 2HG1 VAL 175 1HG1 VAL 175 -12.252 -2.749 -2.749 1370 3HG1 VAL 175 3HG1 VAL 175 -10.785 -3.655 -3.655 1371 1HG2 VAL 175 3HG2 VAL 175 -11.094 -1.176 -1.176 1372 2HG2 VAL 175 2HG2 VAL 175 -12.424 -1.269 -1.269 1373 3HG2 VAL 175 1HG2 VAL 175 -12.054 -2.649 -2.649 1374 H VAL 176 H VAL 176 -7.562 -2.738 -2.738 1375 HA VAL 176 HA VAL 176 -8.117 -5.281 -5.281 1376 HB VAL 176 HB VAL 176 -6.563 -4.675 -4.675 1377 1HG1 VAL 176 3HG1 VAL 176 -8.583 -3.328 -3.328 1378 2HG1 VAL 176 2HG1 VAL 176 -7.801 -2.107 -2.107 1379 3HG1 VAL 176 1HG1 VAL 176 -7.255 -2.409 -2.409 1380 1HG2 VAL 176 2HG2 VAL 176 -5.381 -2.706 -2.706 1381 2HG2 VAL 176 1HG2 VAL 176 -4.638 -4.111 -4.111 1382 3HG2 VAL 176 3HG2 VAL 176 -5.047 -2.746 -2.746 1383 H VAL 177 H VAL 177 -6.020 -3.868 -3.868 1384 HA VAL 177 HA VAL 177 -3.985 -5.829 -5.829 1385 HB VAL 177 HB VAL 177 -4.192 -3.375 -3.375 1386 1HG1 VAL 177 1HG1 VAL 177 -6.292 -3.527 -3.527 1387 2HG1 VAL 177 3HG1 VAL 177 -5.641 -4.685 -4.685 1388 3HG1 VAL 177 2HG1 VAL 177 -5.012 -3.056 -3.056 1389 1HG2 VAL 177 3HG2 VAL 177 -3.163 -5.535 -5.535 1390 2HG2 VAL 177 2HG2 VAL 177 -2.235 -4.751 -4.751 1391 3HG2 VAL 177 1HG2 VAL 177 -2.764 -3.841 -3.841 1392 H GLN 178 H GLN 178 -7.240 -5.393 -5.393 1393 HA GLN 178 HA GLN 178 -7.072 -7.752 -7.752 1394 1HB GLN 178 2HB GLN 178 -8.505 -5.638 -5.638 1395 2HB GLN 178 1HB GLN 178 -9.623 -6.160 -6.160 1396 1HG GLN 178 2HG GLN 178 -9.863 -8.389 -8.389 1397 2HG GLN 178 1HG GLN 178 -8.822 -7.761 -7.761 1398 1HE2 GLN 178 2HE2 GLN 178 -12.506 -7.164 -7.164 1399 2HE2 GLN 178 1HE2 GLN 178 -11.716 -8.570 -8.570 1400 H ALA 179 H ALA 179 -7.899 -6.956 -6.956 1401 HA ALA 179 HA ALA 179 -9.860 -8.951 -8.951 1402 1HB ALA 179 2HB ALA 179 -9.387 -7.006 -7.006 1403 2HB ALA 179 1HB ALA 179 -7.811 -7.673 -7.673 1404 3HB ALA 179 3HB ALA 179 -9.250 -8.495 -8.495 1405 H PHE 180 H PHE 180 -6.403 -8.857 -8.857 1406 HA PHE 180 HA PHE 180 -6.374 -11.836 -11.836 1407 1HB PHE 180 2HB PHE 180 -4.492 -11.486 -11.486 1408 2HB PHE 180 1HB PHE 180 -6.115 -11.140 -11.140 1409 HD1 PHE 180 HD1 PHE 180 -2.942 -9.462 -9.462 1410 HD2 PHE 180 HD2 PHE 180 -6.717 -9.012 -9.012 1411 HE1 PHE 180 HE1 PHE 180 -2.394 -7.183 -7.183 1412 HE2 PHE 180 HE2 PHE 180 -6.142 -6.713 -6.713 1413 HZ PHE 180 HZ PHE 180 -3.926 -5.845 -5.845 Start of MODEL 3 1 1H SER 1 1H SER 1 0.507 -13.657 -13.657 2 2H SER 1 3H SER 1 1.116 -15.236 -15.236 3 3H SER 1 2H SER 1 2.123 -13.894 -13.894 4 HA SER 1 HA SER 1 1.354 -13.975 -13.975 5 1HB SER 1 2HB SER 1 -0.471 -15.975 -15.975 6 2HB SER 1 1HB SER 1 1.201 -16.402 -16.402 7 HG SER 1 HG SER 1 -1.055 -16.609 -16.609 8 HA PRO 2 HA PRO 2 -3.056 -12.525 -12.525 9 1HB PRO 2 2HB PRO 2 -3.948 -12.886 -12.886 10 2HB PRO 2 1HB PRO 2 -2.932 -11.506 -11.506 11 1HG PRO 2 2HG PRO 2 -2.092 -14.121 -14.121 12 2HG PRO 2 1HG PRO 2 -1.604 -12.480 -12.480 13 1HD PRO 2 2HD PRO 2 -0.017 -14.139 -14.139 14 2HD PRO 2 1HD PRO 2 -0.002 -12.368 -12.368 15 H LEU 3 H LEU 3 -2.277 -15.246 -15.246 16 HA LEU 3 HA LEU 3 -4.375 -16.945 -16.945 17 1HB LEU 3 2HB LEU 3 -1.462 -17.788 -17.788 18 2HB LEU 3 1HB LEU 3 -2.753 -18.861 -18.861 19 HG LEU 3 HG LEU 3 -2.022 -16.413 -16.413 20 1HD1 LEU 3 3HD1 LEU 3 -0.080 -17.989 -17.989 21 2HD1 LEU 3 2HD1 LEU 3 -1.120 -19.315 -19.315 22 3HD1 LEU 3 1HD1 LEU 3 -0.788 -18.009 -18.009 23 1HD2 LEU 3 3HD2 LEU 3 -3.576 -18.972 -18.972 24 2HD2 LEU 3 2HD2 LEU 3 -4.313 -17.400 -17.400 25 3HD2 LEU 3 1HD2 LEU 3 -3.269 -17.660 -17.660 26 HA PRO 4 HA PRO 4 -4.956 -17.641 -17.641 27 1HB PRO 4 2HB PRO 4 -6.795 -19.654 -19.654 28 2HB PRO 4 1HB PRO 4 -7.207 -18.025 -18.025 29 1HG PRO 4 2HG PRO 4 -6.197 -20.388 -20.388 30 2HG PRO 4 1HG PRO 4 -7.668 -19.441 -19.441 31 1HD PRO 4 2HD PRO 4 -5.417 -18.791 -18.791 32 2HD PRO 4 1HD PRO 4 -6.420 -17.479 -17.479 33 H ILE 5 H ILE 5 -2.669 -18.308 -18.308 34 HA ILE 5 HA ILE 5 -2.244 -21.259 -21.259 35 HB ILE 5 HB ILE 5 -0.143 -19.029 -19.029 36 1HG1 ILE 5 2HG1 ILE 5 -1.283 -18.861 -18.861 37 2HG1 ILE 5 1HG1 ILE 5 0.311 -19.525 -19.525 38 1HG2 ILE 5 2HG2 ILE 5 0.109 -22.017 -22.017 39 2HG2 ILE 5 1HG2 ILE 5 1.431 -20.865 -20.865 40 3HG2 ILE 5 3HG2 ILE 5 0.621 -21.220 -21.220 41 1HD1 ILE 5 3HD1 ILE 5 -0.678 -21.828 -21.828 42 2HD1 ILE 5 2HD1 ILE 5 -2.282 -21.150 -21.150 43 3HD1 ILE 5 1HD1 ILE 5 -1.353 -20.754 -20.754 44 H THR 6 H THR 6 -1.264 -18.356 -18.356 45 HA THR 6 HA THR 6 -1.619 -20.114 -20.114 46 HB THR 6 HB THR 6 0.247 -18.587 -18.587 47 HG1 THR 6 HG1 THR 6 1.440 -17.650 -17.650 48 1HG2 THR 6 2HG2 THR 6 0.754 -20.908 -20.908 49 2HG2 THR 6 1HG2 THR 6 1.002 -20.128 -20.128 50 3HG2 THR 6 3HG2 THR 6 2.076 -19.778 -19.778 51 HA PRO 7 HA PRO 7 -4.340 -16.934 -16.934 52 1HB PRO 7 2HB PRO 7 -4.300 -17.541 -17.541 53 2HB PRO 7 1HB PRO 7 -5.095 -18.609 -18.609 54 1HG PRO 7 2HG PRO 7 -2.214 -18.802 -18.802 55 2HG PRO 7 1HG PRO 7 -3.447 -20.071 -20.071 56 1HD PRO 7 2HD PRO 7 -1.641 -20.001 -20.001 57 2HD PRO 7 1HD PRO 7 -3.336 -20.367 -20.367 58 H VAL 8 H VAL 8 -2.577 -15.431 -15.431 59 HA VAL 8 HA VAL 8 -1.417 -14.052 -14.052 60 HB VAL 8 HB VAL 8 0.171 -14.466 -14.466 61 1HG1 VAL 8 2HG1 VAL 8 0.875 -12.466 -12.466 62 2HG1 VAL 8 1HG1 VAL 8 1.082 -13.489 -13.489 63 3HG1 VAL 8 3HG1 VAL 8 2.117 -13.695 -13.695 64 1HG2 VAL 8 2HG2 VAL 8 0.378 -16.001 -16.001 65 2HG2 VAL 8 1HG2 VAL 8 -0.148 -16.630 -16.630 66 3HG2 VAL 8 3HG2 VAL 8 1.526 -16.130 -16.130 67 H ASN 9 H ASN 9 -3.614 -13.003 -13.003 68 HA ASN 9 HA ASN 9 -2.860 -10.943 -10.943 69 1HB ASN 9 2HB ASN 9 -5.266 -12.331 -12.331 70 2HB ASN 9 1HB ASN 9 -5.615 -10.710 -10.710 71 1HD2 ASN 9 2HD2 ASN 9 -5.184 -9.188 -9.188 72 2HD2 ASN 9 1HD2 ASN 9 -5.089 -8.882 -8.882 73 H ALA 10 H ALA 10 -2.496 -11.221 -11.221 74 HA ALA 10 HA ALA 10 -2.717 -8.268 -8.268 75 1HB ALA 10 2HB ALA 10 -3.689 -10.378 -10.378 76 2HB ALA 10 1HB ALA 10 -3.552 -8.655 -8.655 77 3HB ALA 10 3HB ALA 10 -4.637 -9.228 -9.228 78 H THR 11 H THR 11 -1.873 -10.565 -10.565 79 HA THR 11 HA THR 11 1.002 -9.750 -9.750 80 HB THR 11 HB THR 11 0.084 -10.086 -10.086 81 HG1 THR 11 HG1 THR 11 -0.731 -8.059 -8.059 82 1HG2 THR 11 1HG2 THR 11 1.530 -7.823 -7.823 83 2HG2 THR 11 3HG2 THR 11 1.402 -8.000 -8.000 84 3HG2 THR 11 2HG2 THR 11 2.337 -9.155 -9.155 85 H CYS 12 H CYS 12 -1.112 -12.257 -12.257 86 HA CYS 12 HA CYS 12 -0.403 -14.218 -14.218 87 1HB CYS 12 2HB CYS 12 -0.649 -14.568 -14.568 88 2HB CYS 12 1HB CYS 12 -0.912 -15.787 -15.787 89 H ALA 13 H ALA 13 1.741 -13.013 -13.013 90 HA ALA 13 HA ALA 13 3.595 -15.035 -15.035 91 1HB ALA 13 3HB ALA 13 4.296 -12.150 -12.150 92 2HB ALA 13 2HB ALA 13 5.348 -13.241 -13.241 93 3HB ALA 13 1HB ALA 13 3.862 -12.665 -12.665 94 H ILE 14 H ILE 14 3.356 -13.070 -13.070 95 HA ILE 14 HA ILE 14 5.378 -14.793 -14.793 96 HB ILE 14 HB ILE 14 5.157 -12.900 -12.900 97 1HG1 ILE 14 2HG1 ILE 14 4.337 -10.743 -10.743 98 2HG1 ILE 14 1HG1 ILE 14 3.991 -11.356 -11.356 99 1HG2 ILE 14 2HG2 ILE 14 6.280 -12.280 -12.280 100 2HG2 ILE 14 1HG2 ILE 14 6.726 -11.453 -11.453 101 3HG2 ILE 14 3HG2 ILE 14 7.120 -13.145 -13.145 102 1HD1 ILE 14 2HD1 ILE 14 2.579 -12.193 -12.193 103 2HD1 ILE 14 1HD1 ILE 14 1.921 -11.179 -11.179 104 3HD1 ILE 14 3HD1 ILE 14 2.205 -12.841 -12.841 105 H ARG 15 H ARG 15 2.451 -15.169 -15.169 106 HA ARG 15 HA ARG 15 1.331 -15.788 -15.788 107 1HB ARG 15 2HB ARG 15 0.302 -14.338 -14.338 108 2HB ARG 15 1HB ARG 15 0.111 -15.850 -15.850 109 1HG ARG 15 2HG ARG 15 -1.328 -15.523 -15.523 110 2HG ARG 15 1HG ARG 15 -1.901 -14.671 -14.671 111 1HD ARG 15 2HD ARG 15 -3.115 -16.741 -16.741 112 2HD ARG 15 1HD ARG 15 -1.820 -16.946 -16.946 113 HE ARG 15 HE ARG 15 -0.746 -18.427 -18.427 114 1HH1 ARG 15 2HH1 ARG 15 -3.324 -16.898 -16.898 115 2HH1 ARG 15 1HH1 ARG 15 -3.252 -17.744 -17.744 116 1HH2 ARG 15 1HH2 ARG 15 -0.537 -19.713 -19.713 117 2HH2 ARG 15 2HH2 ARG 15 -1.587 -19.612 -19.612 118 H HIS 16 H HIS 16 2.958 -17.041 -17.041 119 HA HIS 16 HA HIS 16 1.983 -19.761 -19.761 120 1HB HIS 16 2HB HIS 16 2.472 -18.598 -18.598 121 2HB HIS 16 1HB HIS 16 4.057 -19.306 -19.306 122 HD1 HIS 16 HD1 HIS 16 3.506 -21.948 -21.948 123 HD2 HIS 16 HD2 HIS 16 1.029 -20.358 -20.358 124 HE1 HIS 16 HE1 HIS 16 2.304 -23.874 -23.874 125 HA PRO 17 HA PRO 17 5.816 -20.244 -20.244 126 1HB PRO 17 2HB PRO 17 7.525 -18.207 -18.207 127 2HB PRO 17 1HB PRO 17 7.537 -19.184 -19.184 128 1HG PRO 17 2HG PRO 17 6.490 -16.361 -16.361 129 2HG PRO 17 1HG PRO 17 7.069 -17.130 -17.130 130 1HD PRO 17 2HD PRO 17 4.208 -17.051 -17.051 131 2HD PRO 17 1HD PRO 17 4.812 -17.608 -17.608 132 H CYS 18 H CYS 18 5.209 -16.759 -16.759 133 HA CYS 18 HA CYS 18 4.449 -15.685 -15.685 134 1HB CYS 18 2HB CYS 18 2.575 -17.562 -17.562 135 2HB CYS 18 1HB CYS 18 3.249 -18.295 -18.295 136 H HIS 19 H HIS 19 4.266 -16.696 -16.696 137 HA HIS 19 HA HIS 19 7.117 -17.547 -17.547 138 1HB HIS 19 2HB HIS 19 5.285 -15.884 -15.884 139 2HB HIS 19 1HB HIS 19 6.861 -16.429 -16.429 140 HD1 HIS 19 HD1 HIS 19 8.783 -15.672 -15.672 141 HD2 HIS 19 HD2 HIS 19 5.494 -13.290 -13.290 142 HE1 HIS 19 HE1 HIS 19 9.370 -13.469 -13.469 143 H GLY 20 H GLY 20 6.966 -18.293 -18.293 144 1HA GLY 20 2HA GLY 20 5.447 -20.850 -20.850 145 2HA GLY 20 1HA GLY 20 6.751 -20.540 -20.540 146 H ASN 21 H ASN 21 5.407 -17.971 -17.971 147 HA ASN 21 HA ASN 21 3.310 -19.169 -19.169 148 1HB ASN 21 2HB ASN 21 5.546 -18.218 -18.218 149 2HB ASN 21 1HB ASN 21 4.925 -16.620 -16.620 150 1HD2 ASN 21 2HD2 ASN 21 3.409 -18.482 -18.482 151 2HD2 ASN 21 1HD2 ASN 21 4.719 -19.150 -19.150 152 H LEU 22 H LEU 22 4.318 -16.034 -16.034 153 HA LEU 22 HA LEU 22 3.236 -14.267 -14.267 154 1HB LEU 22 2HB LEU 22 2.906 -16.258 -16.258 155 2HB LEU 22 1HB LEU 22 1.270 -16.350 -16.350 156 HG LEU 22 HG LEU 22 1.399 -15.164 -15.164 157 1HD1 LEU 22 3HD1 LEU 22 -0.350 -14.301 -14.301 158 2HD1 LEU 22 2HD1 LEU 22 0.780 -13.084 -13.084 159 3HD1 LEU 22 1HD1 LEU 22 0.279 -13.071 -13.071 160 1HD2 LEU 22 2HD2 LEU 22 3.690 -14.363 -14.363 161 2HD2 LEU 22 1HD2 LEU 22 2.613 -13.045 -13.045 162 3HD2 LEU 22 3HD2 LEU 22 3.236 -13.202 -13.202 163 H MET 23 H MET 23 0.543 -16.298 -16.298 164 HA MET 23 HA MET 23 -1.478 -14.518 -14.518 165 1HB MET 23 2HB MET 23 -0.861 -16.954 -16.954 166 2HB MET 23 1HB MET 23 -2.429 -16.202 -16.202 167 1HG MET 23 2HG MET 23 -2.412 -16.753 -16.753 168 2HG MET 23 1HG MET 23 -0.858 -17.505 -17.505 169 1HE MET 23 1HE MET 23 -4.580 -17.634 -17.634 170 2HE MET 23 3HE MET 23 -4.327 -18.421 -18.421 171 3HE MET 23 2HE MET 23 -4.878 -19.346 -19.346 172 H ASN 24 H ASN 24 0.672 -15.565 -15.565 173 HA ASN 24 HA ASN 24 -0.234 -13.299 -13.299 174 1HB ASN 24 2HB ASN 24 1.607 -15.659 -15.659 175 2HB ASN 24 1HB ASN 24 1.509 -14.313 -14.313 176 1HD2 ASN 24 2HD2 ASN 24 -1.372 -17.067 -17.067 177 2HD2 ASN 24 1HD2 ASN 24 -0.015 -17.318 -17.318 178 H GLN 25 H GLN 25 1.555 -13.136 -13.136 179 HA GLN 25 HA GLN 25 3.963 -11.848 -11.848 180 1HB GLN 25 2HB GLN 25 4.009 -13.284 -13.284 181 2HB GLN 25 1HB GLN 25 3.169 -11.972 -11.972 182 1HG GLN 25 2HG GLN 25 5.884 -11.689 -11.689 183 2HG GLN 25 1HG GLN 25 5.684 -11.938 -11.938 184 1HE2 GLN 25 2HE2 GLN 25 3.988 -8.460 -8.460 185 2HE2 GLN 25 1HE2 GLN 25 3.175 -9.950 -9.950 186 H ILE 26 H ILE 26 1.369 -11.063 -11.063 187 HA ILE 26 HA ILE 26 1.660 -8.235 -8.235 188 HB ILE 26 HB ILE 26 -0.688 -7.974 -7.974 189 1HG1 ILE 26 2HG1 ILE 26 -0.780 -11.015 -11.015 190 2HG1 ILE 26 1HG1 ILE 26 -1.673 -10.122 -10.122 191 1HG2 ILE 26 3HG2 ILE 26 1.258 -8.259 -8.259 192 2HG2 ILE 26 2HG2 ILE 26 0.983 -10.005 -10.005 193 3HG2 ILE 26 1HG2 ILE 26 -0.184 -8.898 -8.898 194 1HD1 ILE 26 3HD1 ILE 26 -2.768 -8.741 -8.741 195 2HD1 ILE 26 2HD1 ILE 26 -1.931 -9.626 -9.626 196 3HD1 ILE 26 1HD1 ILE 26 -3.088 -10.414 -10.414 197 H LYS 27 H LYS 27 0.024 -10.530 -10.530 198 HA LYS 27 HA LYS 27 -1.576 -8.618 -8.618 199 1HB LYS 27 2HB LYS 27 -2.071 -11.074 -11.074 200 2HB LYS 27 1HB LYS 27 -0.629 -11.385 -11.385 201 1HG LYS 27 2HG LYS 27 -1.779 -9.566 -9.566 202 2HG LYS 27 1HG LYS 27 -3.215 -10.064 -10.064 203 1HD LYS 27 2HD LYS 27 -3.113 -11.667 -11.667 204 2HD LYS 27 1HD LYS 27 -2.266 -12.515 -12.515 205 1HE LYS 27 2HE LYS 27 -0.141 -11.129 -11.129 206 2HE LYS 27 1HE LYS 27 -1.137 -11.172 -11.172 207 1HZ LYS 27 1HZ LYS 27 -1.109 -13.724 -13.724 208 2HZ LYS 27 3HZ LYS 27 0.484 -13.143 -13.143 209 3HZ LYS 27 2HZ LYS 27 -0.465 -13.243 -13.243 210 H ASN 28 H ASN 28 1.340 -10.477 -10.477 211 HA ASN 28 HA ASN 28 1.844 -9.053 -9.053 212 1HB ASN 28 2HB ASN 28 3.578 -10.839 -10.839 213 2HB ASN 28 1HB ASN 28 4.286 -9.946 -9.946 214 1HD2 ASN 28 2HD2 ASN 28 3.097 -12.285 -12.285 215 2HD2 ASN 28 1HD2 ASN 28 4.180 -11.024 -11.024 216 H GLN 29 H GLN 29 2.544 -8.234 -8.234 217 HA GLN 29 HA GLN 29 4.459 -6.154 -6.154 218 1HB GLN 29 2HB GLN 29 2.993 -6.783 -6.783 219 2HB GLN 29 1HB GLN 29 4.013 -5.368 -5.368 220 1HG GLN 29 2HG GLN 29 5.130 -8.137 -8.137 221 2HG GLN 29 1HG GLN 29 5.128 -7.504 -7.504 222 1HE2 GLN 29 2HE2 GLN 29 7.912 -5.439 -5.439 223 2HE2 GLN 29 1HE2 GLN 29 6.852 -6.111 -6.111 224 H LEU 30 H LEU 30 1.165 -6.201 -6.201 225 HA LEU 30 HA LEU 30 0.413 -3.607 -3.607 226 1HB LEU 30 2HB LEU 30 -1.068 -6.153 -6.153 227 2HB LEU 30 1HB LEU 30 -1.797 -4.899 -4.899 228 HG LEU 30 HG LEU 30 -2.787 -4.963 -4.963 229 1HD1 LEU 30 3HD1 LEU 30 -2.768 -2.875 -2.875 230 2HD1 LEU 30 2HD1 LEU 30 -1.235 -2.370 -2.370 231 3HD1 LEU 30 1HD1 LEU 30 -2.658 -2.502 -2.502 232 1HD2 LEU 30 2HD2 LEU 30 -0.772 -5.610 -5.610 233 2HD2 LEU 30 1HD2 LEU 30 -1.483 -4.133 -4.133 234 3HD2 LEU 30 3HD2 LEU 30 -0.064 -4.048 -4.048 235 H ALA 31 H ALA 31 0.480 -5.650 -5.650 236 HA ALA 31 HA ALA 31 -0.579 -3.809 -3.809 237 1HB ALA 31 2HB ALA 31 1.699 -5.771 -5.771 238 2HB ALA 31 1HB ALA 31 0.729 -5.024 -5.024 239 3HB ALA 31 3HB ALA 31 -0.028 -6.140 -6.140 240 H GLN 32 H GLN 32 2.710 -4.273 -4.273 241 HA GLN 32 HA GLN 32 3.959 -2.224 -2.224 242 1HB GLN 32 2HB GLN 32 4.641 -3.965 -3.965 243 2HB GLN 32 1HB GLN 32 5.285 -2.377 -2.377 244 1HG GLN 32 2HG GLN 32 5.726 -3.965 -3.965 245 2HG GLN 32 1HG GLN 32 6.843 -3.959 -3.959 246 1HE2 GLN 32 2HE2 GLN 32 6.825 -0.155 -0.155 247 2HE2 GLN 32 1HE2 GLN 32 5.618 -0.801 -0.801 248 H LEU 33 H LEU 33 1.800 -1.988 -1.988 249 HA LEU 33 HA LEU 33 2.506 0.859 0.859 250 1HB LEU 33 2HB LEU 33 0.539 -0.797 -0.797 251 2HB LEU 33 1HB LEU 33 1.498 0.575 0.575 252 HG LEU 33 HG LEU 33 2.640 -2.185 -2.185 253 1HD1 LEU 33 3HD1 LEU 33 1.474 -2.099 -2.099 254 2HD1 LEU 33 2HD1 LEU 33 2.492 -0.751 -0.751 255 3HD1 LEU 33 1HD1 LEU 33 3.194 -2.342 -2.342 256 1HD2 LEU 33 2HD2 LEU 33 4.178 -0.201 -0.201 257 2HD2 LEU 33 1HD2 LEU 33 4.797 -1.272 -1.272 258 3HD2 LEU 33 3HD2 LEU 33 4.082 0.267 0.267 259 H ASN 34 H ASN 34 -0.033 -1.250 -1.250 260 HA ASN 34 HA ASN 34 -2.205 0.548 0.548 261 1HB ASN 34 2HB ASN 34 -2.253 -1.973 -1.973 262 2HB ASN 34 1HB ASN 34 -1.470 -1.520 -1.520 263 1HD2 ASN 34 2HD2 ASN 34 -4.984 0.392 0.392 264 2HD2 ASN 34 1HD2 ASN 34 -3.849 0.765 0.765 265 H GLY 35 H GLY 35 0.057 -0.327 -0.327 266 1HA GLY 35 2HA GLY 35 -0.364 1.646 1.646 267 2HA GLY 35 1HA GLY 35 1.248 0.992 0.992 268 H SER 36 H SER 36 1.984 1.880 1.880 269 HA SER 36 HA SER 36 2.627 4.606 4.606 270 1HB SER 36 2HB SER 36 3.587 4.541 4.541 271 2HB SER 36 1HB SER 36 3.805 2.971 2.971 272 HG SER 36 HG SER 36 1.408 3.096 3.096 273 H ALA 37 H ALA 37 -0.124 3.194 3.194 274 HA ALA 37 HA ALA 37 -1.040 5.394 5.394 275 1HB ALA 37 1HB ALA 37 -2.136 3.022 3.022 276 2HB ALA 37 3HB ALA 37 -2.827 3.504 3.504 277 3HB ALA 37 2HB ALA 37 -3.232 4.391 4.391 278 H ASN 38 H ASN 38 -1.324 4.509 4.509 279 HA ASN 38 HA ASN 38 -2.751 7.065 7.065 280 1HB ASN 38 2HB ASN 38 -3.261 4.739 4.739 281 2HB ASN 38 1HB ASN 38 -1.852 5.067 5.067 282 1HD2 ASN 38 2HD2 ASN 38 -3.856 8.225 8.225 283 2HD2 ASN 38 1HD2 ASN 38 -2.535 8.157 8.157 284 H ALA 39 H ALA 39 0.433 5.635 5.635 285 HA ALA 39 HA ALA 39 1.346 7.940 7.940 286 1HB ALA 39 1HB ALA 39 2.921 5.469 5.469 287 2HB ALA 39 3HB ALA 39 3.560 6.647 6.647 288 3HB ALA 39 2HB ALA 39 2.227 5.610 5.610 289 H LEU 40 H LEU 40 2.630 6.465 6.465 290 HA LEU 40 HA LEU 40 4.226 8.589 8.589 291 1HB LEU 40 2HB LEU 40 4.295 6.583 6.583 292 2HB LEU 40 1HB LEU 40 2.574 6.517 6.517 293 HG LEU 40 HG LEU 40 4.116 7.226 7.226 294 1HD1 LEU 40 2HD1 LEU 40 1.489 8.635 8.635 295 2HD1 LEU 40 1HD1 LEU 40 2.249 8.694 8.694 296 3HD1 LEU 40 3HD1 LEU 40 1.803 7.153 7.153 297 1HD2 LEU 40 2HD2 LEU 40 3.751 9.919 9.919 298 2HD2 LEU 40 1HD2 LEU 40 5.289 9.164 9.164 299 3HD2 LEU 40 3HD2 LEU 40 4.211 9.642 9.642 300 H PHE 41 H PHE 41 0.762 8.011 8.011 301 HA PHE 41 HA PHE 41 0.070 10.358 10.358 302 1HB PHE 41 2HB PHE 41 -1.681 8.834 8.834 303 2HB PHE 41 1HB PHE 41 -1.439 9.159 9.159 304 HD1 PHE 41 HD1 PHE 41 -1.453 11.861 11.861 305 HD2 PHE 41 HD2 PHE 41 -3.773 9.822 9.822 306 HE1 PHE 41 HE1 PHE 41 -3.176 13.516 13.516 307 HE2 PHE 41 HE2 PHE 41 -5.497 11.530 11.530 308 HZ PHE 41 HZ PHE 41 -5.165 13.395 13.395 309 H ILE 42 H ILE 42 0.324 10.171 10.171 310 HA ILE 42 HA ILE 42 -0.052 12.966 12.966 311 HB ILE 42 HB ILE 42 0.727 10.726 10.726 312 1HG1 ILE 42 2HG1 ILE 42 -1.349 11.482 11.482 313 2HG1 ILE 42 1HG1 ILE 42 -1.452 12.895 12.895 314 1HG2 ILE 42 2HG2 ILE 42 0.794 13.681 13.681 315 2HG2 ILE 42 1HG2 ILE 42 0.900 12.329 12.329 316 3HG2 ILE 42 3HG2 ILE 42 2.189 12.617 12.617 317 1HD1 ILE 42 1HD1 ILE 42 -1.774 11.363 11.363 318 2HD1 ILE 42 3HD1 ILE 42 -1.805 10.019 10.019 319 3HD1 ILE 42 2HD1 ILE 42 -3.037 11.248 11.248 320 H SER 43 H SER 43 2.749 10.964 10.964 321 HA SER 43 HA SER 43 4.623 13.120 13.120 322 1HB SER 43 2HB SER 43 5.324 10.780 10.780 323 2HB SER 43 1HB SER 43 4.942 10.238 10.238 324 HG SER 43 HG SER 43 6.757 12.238 12.238 325 H TYR 44 H TYR 44 2.848 12.197 12.197 326 HA TYR 44 HA TYR 44 4.574 13.291 13.291 327 1HB TYR 44 2HB TYR 44 3.558 11.514 11.514 328 2HB TYR 44 1HB TYR 44 2.166 11.503 11.503 329 HD1 TYR 44 HD2 TYR 44 3.621 13.997 13.997 330 HD2 TYR 44 HD1 TYR 44 0.138 11.680 11.680 331 HE1 TYR 44 HE2 TYR 44 2.604 15.068 15.068 332 HE2 TYR 44 HE1 TYR 44 -0.906 12.681 12.681 333 HH TYR 44 HH TYR 44 0.561 15.571 15.571 334 H TYR 45 H TYR 45 1.291 13.644 13.644 335 HA TYR 45 HA TYR 45 0.983 16.138 16.138 336 1HB TYR 45 2HB TYR 45 -1.276 16.146 16.146 337 2HB TYR 45 1HB TYR 45 -0.917 14.451 14.451 338 HD1 TYR 45 HD2 TYR 45 0.601 14.638 14.638 339 HD2 TYR 45 HD1 TYR 45 -3.060 16.294 16.294 340 HE1 TYR 45 HE2 TYR 45 -0.191 14.758 14.758 341 HE2 TYR 45 HE1 TYR 45 -3.794 16.400 16.400 342 HH TYR 45 HH TYR 45 -2.908 14.810 14.810 343 H THR 46 H THR 46 2.199 15.638 15.638 344 HA THR 46 HA THR 46 1.596 18.346 18.346 345 HB THR 46 HB THR 46 3.677 17.936 17.936 346 HG1 THR 46 HG1 THR 46 3.469 15.280 15.280 347 1HG2 THR 46 1HG2 THR 46 1.477 15.846 15.846 348 2HG2 THR 46 3HG2 THR 46 2.524 16.242 16.242 349 3HG2 THR 46 2HG2 THR 46 1.360 17.416 17.416 350 H ALA 47 H ALA 47 4.205 16.820 16.820 351 HA ALA 47 HA ALA 47 5.946 19.069 19.069 352 1HB ALA 47 3HB ALA 47 6.594 16.752 16.752 353 2HB ALA 47 2HB ALA 47 5.467 16.895 16.895 354 3HB ALA 47 1HB ALA 47 6.904 17.912 17.912 355 H GLN 48 H GLN 48 2.841 18.587 18.587 356 HA GLN 48 HA GLN 48 3.332 20.155 20.155 357 1HB GLN 48 2HB GLN 48 0.740 19.972 19.972 358 2HB GLN 48 1HB GLN 48 0.806 20.613 20.613 359 1HG GLN 48 2HG GLN 48 0.967 17.805 17.805 360 2HG GLN 48 1HG GLN 48 0.179 18.397 18.397 361 1HE2 GLN 48 2HE2 GLN 48 4.010 17.154 17.154 362 2HE2 GLN 48 1HE2 GLN 48 3.220 17.066 17.066 363 H GLY 49 H GLY 49 1.931 21.111 21.111 364 1HA GLY 49 2HA GLY 49 3.045 23.088 23.088 365 2HA GLY 49 1HA GLY 49 2.505 23.949 23.949 366 H GLU 50 H GLU 50 0.861 25.023 25.023 367 HA GLU 50 HA GLU 50 -1.452 23.432 23.432 368 1HB GLU 50 2HB GLU 50 -2.133 25.473 25.473 369 2HB GLU 50 1HB GLU 50 -0.522 25.022 25.022 370 1HG GLU 50 2HG GLU 50 -0.472 27.389 27.389 371 2HG GLU 50 1HG GLU 50 0.250 26.861 26.861 372 HA PRO 51 HA PRO 51 -3.688 24.371 24.371 373 1HB PRO 51 2HB PRO 51 -6.171 24.546 24.546 374 2HB PRO 51 1HB PRO 51 -5.192 26.010 26.010 375 1HG PRO 51 2HG PRO 51 -5.690 24.385 24.385 376 2HG PRO 51 1HG PRO 51 -5.867 26.137 26.137 377 1HD PRO 51 2HD PRO 51 -3.530 24.940 24.940 378 2HD PRO 51 1HD PRO 51 -3.525 26.493 26.493 379 H PHE 52 H PHE 52 -2.359 22.258 22.258 380 HA PHE 52 HA PHE 52 -4.277 20.225 20.225 381 1HB PHE 52 2HB PHE 52 -1.249 20.331 20.331 382 2HB PHE 52 1HB PHE 52 -2.015 18.759 18.759 383 HD1 PHE 52 HD1 PHE 52 -1.940 21.852 21.852 384 HD2 PHE 52 HD2 PHE 52 -2.768 17.680 17.680 385 HE1 PHE 52 HE1 PHE 52 -2.296 21.801 21.801 386 HE2 PHE 52 HE2 PHE 52 -3.116 17.624 17.624 387 HZ PHE 52 HZ PHE 52 -2.859 19.732 19.732 388 HA PRO 53 HA PRO 53 -2.998 17.984 17.984 389 1HB PRO 53 2HB PRO 53 -1.892 19.557 19.557 390 2HB PRO 53 1HB PRO 53 -0.974 18.575 18.575 391 1HG PRO 53 2HG PRO 53 -1.721 21.543 21.543 392 2HG PRO 53 1HG PRO 53 -0.111 20.817 20.817 393 1HD PRO 53 2HD PRO 53 -1.469 21.261 21.261 394 2HD PRO 53 1HD PRO 53 -0.710 19.665 19.665 395 H ASN 54 H ASN 54 -4.720 20.635 20.635 396 HA ASN 54 HA ASN 54 -6.494 20.192 20.192 397 1HB ASN 54 2HB ASN 54 -7.149 22.698 22.698 398 2HB ASN 54 1HB ASN 54 -5.645 22.377 22.377 399 1HD2 ASN 54 2HD2 ASN 54 -3.975 24.286 24.286 400 2HD2 ASN 54 1HD2 ASN 54 -4.165 23.902 23.902 401 H ASN 55 H ASN 55 -6.375 20.998 20.998 402 HA ASN 55 HA ASN 55 -9.322 20.327 20.327 403 1HB ASN 55 2HB ASN 55 -7.557 21.853 21.853 404 2HB ASN 55 1HB ASN 55 -9.231 21.458 21.458 405 1HD2 ASN 55 2HD2 ASN 55 -8.329 24.564 24.564 406 2HD2 ASN 55 1HD2 ASN 55 -7.114 23.465 23.465 407 H LEU 56 H LEU 56 -6.844 18.632 18.632 408 HA LEU 56 HA LEU 56 -6.407 17.391 17.391 409 1HB LEU 56 2HB LEU 56 -5.274 15.739 15.739 410 2HB LEU 56 1HB LEU 56 -5.342 17.126 17.126 411 HG LEU 56 HG LEU 56 -7.487 16.043 16.043 412 1HD1 LEU 56 2HD1 LEU 56 -7.615 14.297 14.297 413 2HD1 LEU 56 1HD1 LEU 56 -6.131 13.651 13.651 414 3HD1 LEU 56 3HD1 LEU 56 -7.580 13.618 13.618 415 1HD2 LEU 56 1HD2 LEU 56 -4.805 14.555 14.555 416 2HD2 LEU 56 3HD2 LEU 56 -5.194 16.015 16.015 417 3HD2 LEU 56 2HD2 LEU 56 -6.081 14.524 14.524 418 H ASP 57 H ASP 57 -9.019 17.348 17.348 419 HA ASP 57 HA ASP 57 -10.314 15.079 15.079 420 1HB ASP 57 2HB ASP 57 -11.416 17.683 17.683 421 2HB ASP 57 1HB ASP 57 -12.402 16.234 16.234 422 H LYS 58 H LYS 58 -10.301 18.274 18.274 423 HA LYS 58 HA LYS 58 -12.277 17.420 17.420 424 1HB LYS 58 2HB LYS 58 -11.254 20.151 20.151 425 2HB LYS 58 1HB LYS 58 -12.354 19.906 19.906 426 1HG LYS 58 2HG LYS 58 -12.984 18.883 18.883 427 2HG LYS 58 1HG LYS 58 -13.296 20.550 20.550 428 1HD LYS 58 2HD LYS 58 -14.440 18.169 18.169 429 2HD LYS 58 1HD LYS 58 -15.283 18.992 18.992 430 1HE LYS 58 2HE LYS 58 -15.198 21.143 21.143 431 2HE LYS 58 1HE LYS 58 -14.350 20.376 20.376 432 1HZ LYS 58 3HZ LYS 58 -16.675 18.890 18.890 433 2HZ LYS 58 2HZ LYS 58 -17.117 20.512 20.512 434 3HZ LYS 58 1HZ LYS 58 -16.278 19.746 19.746 435 H LEU 59 H LEU 59 -9.032 18.085 18.085 436 HA LEU 59 HA LEU 59 -8.415 18.428 18.428 437 1HB LEU 59 2HB LEU 59 -6.505 18.833 18.833 438 2HB LEU 59 1HB LEU 59 -6.411 19.482 19.482 439 HG LEU 59 HG LEU 59 -8.657 20.190 20.190 440 1HD1 LEU 59 1HD1 LEU 59 -6.202 21.737 21.737 441 2HD1 LEU 59 3HD1 LEU 59 -7.553 22.280 22.280 442 3HD1 LEU 59 2HD1 LEU 59 -6.565 20.915 20.915 443 1HD2 LEU 59 2HD2 LEU 59 -7.953 21.395 21.395 444 2HD2 LEU 59 1HD2 LEU 59 -9.355 20.385 20.385 445 3HD2 LEU 59 3HD2 LEU 59 -9.192 21.951 21.951 446 H CYS 60 H CYS 60 -8.108 16.145 16.145 447 HA CYS 60 HA CYS 60 -6.113 14.664 14.664 448 1HB CYS 60 2HB CYS 60 -6.460 14.607 14.607 449 2HB CYS 60 1HB CYS 60 -5.315 13.701 13.701 450 H GLY 61 H GLY 61 -9.118 14.718 14.718 451 1HA GLY 61 2HA GLY 61 -11.028 13.360 13.360 452 2HA GLY 61 1HA GLY 61 -10.208 12.607 12.607 453 HA PRO 62 HA PRO 62 -9.379 9.699 9.699 454 1HB PRO 62 2HB PRO 62 -9.777 10.461 10.461 455 2HB PRO 62 1HB PRO 62 -8.356 11.038 11.038 456 1HG PRO 62 2HG PRO 62 -11.071 12.472 12.472 457 2HG PRO 62 1HG PRO 62 -9.485 13.092 13.092 458 1HD PRO 62 2HD PRO 62 -10.515 13.651 13.651 459 2HD PRO 62 1HD PRO 62 -8.805 13.326 13.326 460 H ASN 63 H ASN 63 -11.496 9.941 9.941 461 HA ASN 63 HA ASN 63 -13.584 8.482 8.482 462 1HB ASN 63 2HB ASN 63 -14.278 10.920 10.920 463 2HB ASN 63 1HB ASN 63 -14.243 10.817 10.817 464 1HD2 ASN 63 2HD2 ASN 63 -17.525 9.477 9.477 465 2HD2 ASN 63 1HD2 ASN 63 -16.338 10.329 10.329 466 H VAL 64 H VAL 64 -13.886 9.600 9.600 467 HA VAL 64 HA VAL 64 -13.014 6.940 6.940 468 HB VAL 64 HB VAL 64 -15.701 8.239 8.239 469 1HG1 VAL 64 2HG1 VAL 64 -14.517 5.545 5.545 470 2HG1 VAL 64 1HG1 VAL 64 -16.130 6.102 6.102 471 3HG1 VAL 64 3HG1 VAL 64 -14.734 6.914 6.914 472 1HG2 VAL 64 2HG2 VAL 64 -15.113 5.725 5.725 473 2HG2 VAL 64 1HG2 VAL 64 -15.729 7.227 7.227 474 3HG2 VAL 64 3HG2 VAL 64 -16.712 6.292 6.292 475 H THR 65 H THR 65 -13.474 10.318 10.318 476 HA THR 65 HA THR 65 -12.937 11.726 11.726 477 HB THR 65 HB THR 65 -10.606 10.990 10.990 478 HG1 THR 65 HG1 THR 65 -10.031 11.779 11.779 479 1HG2 THR 65 2HG2 THR 65 -10.341 8.786 8.786 480 2HG2 THR 65 1HG2 THR 65 -10.064 9.710 9.710 481 3HG2 THR 65 3HG2 THR 65 -9.004 9.890 9.890 482 H ASP 66 H ASP 66 -11.296 10.839 10.839 483 HA ASP 66 HA ASP 66 -13.401 9.668 9.668 484 1HB ASP 66 2HB ASP 66 -11.990 10.630 10.630 485 2HB ASP 66 1HB ASP 66 -12.409 11.878 11.878 486 H PHE 67 H PHE 67 -12.009 7.919 7.919 487 HA PHE 67 HA PHE 67 -10.172 6.470 6.470 488 1HB PHE 67 2HB PHE 67 -8.946 6.130 6.130 489 2HB PHE 67 1HB PHE 67 -10.058 7.086 7.086 490 HD1 PHE 67 HD1 PHE 67 -12.280 5.734 5.734 491 HD2 PHE 67 HD2 PHE 67 -8.498 3.959 3.959 492 HE1 PHE 67 HE1 PHE 67 -12.839 3.844 3.844 493 HE2 PHE 67 HE2 PHE 67 -9.047 2.087 2.087 494 HZ PHE 67 HZ PHE 67 -11.255 2.000 2.000 495 HA PRO 68 HA PRO 68 -12.853 3.090 3.090 496 1HB PRO 68 2HB PRO 68 -11.236 0.903 0.903 497 2HB PRO 68 1HB PRO 68 -11.059 2.148 2.148 498 1HG PRO 68 2HG PRO 68 -9.589 2.010 2.010 499 2HG PRO 68 1HG PRO 68 -8.838 2.077 2.077 500 1HD PRO 68 2HD PRO 68 -9.212 4.366 4.366 501 2HD PRO 68 1HD PRO 68 -9.619 4.372 4.372 502 HA PRO 69 HA PRO 69 -14.024 2.340 2.340 503 1HB PRO 69 2HB PRO 69 -16.561 1.390 1.390 504 2HB PRO 69 1HB PRO 69 -16.139 3.093 3.093 505 1HG PRO 69 2HG PRO 69 -16.199 0.884 0.884 506 2HG PRO 69 1HG PRO 69 -17.069 2.430 2.430 507 1HD PRO 69 2HD PRO 69 -14.708 2.258 2.258 508 2HD PRO 69 1HD PRO 69 -14.993 3.707 3.707 509 H PHE 70 H PHE 70 -12.279 0.621 0.621 510 HA PHE 70 HA PHE 70 -12.471 -2.088 -2.088 511 1HB PHE 70 2HB PHE 70 -10.478 -0.810 -0.810 512 2HB PHE 70 1HB PHE 70 -11.274 -0.838 -0.838 513 HD1 PHE 70 HD2 PHE 70 -12.061 -3.351 -3.351 514 HD2 PHE 70 HD1 PHE 70 -8.895 -2.465 -2.465 515 HE1 PHE 70 HE2 PHE 70 -11.101 -5.575 -5.575 516 HE2 PHE 70 HE1 PHE 70 -7.955 -4.647 -4.647 517 HZ PHE 70 HZ PHE 70 -9.022 -6.212 -6.212 518 H HIS 71 H HIS 71 -14.163 -3.599 -3.599 519 HA HIS 71 HA HIS 71 -15.101 -3.185 -3.185 520 1HB HIS 71 2HB HIS 71 -16.593 -1.930 -1.930 521 2HB HIS 71 1HB HIS 71 -16.928 -3.412 -3.412 522 HD1 HIS 71 HD1 HIS 71 -19.123 -1.888 -1.888 523 HD2 HIS 71 HD2 HIS 71 -17.219 -5.059 -5.059 524 HE1 HIS 71 HE1 HIS 71 -20.651 -2.778 -2.778 525 H ALA 72 H ALA 72 -14.089 -5.027 -5.027 526 HA ALA 72 HA ALA 72 -13.837 -7.487 -7.487 527 1HB ALA 72 2HB ALA 72 -14.517 -6.932 -6.932 528 2HB ALA 72 1HB ALA 72 -13.837 -8.430 -8.430 529 3HB ALA 72 3HB ALA 72 -12.876 -6.943 -6.943 530 H ASN 73 H ASN 73 -15.746 -7.782 -7.782 531 HA ASN 73 HA ASN 73 -18.215 -8.401 -8.401 532 1HB ASN 73 2HB ASN 73 -17.668 -7.900 -7.900 533 2HB ASN 73 1HB ASN 73 -19.188 -8.626 -8.626 534 1HD2 ASN 73 2HD2 ASN 73 -18.750 -4.689 -4.689 535 2HD2 ASN 73 1HD2 ASN 73 -17.547 -5.606 -5.606 536 H GLY 74 H GLY 74 -16.022 -10.003 -10.003 537 1HA GLY 74 2HA GLY 74 -15.552 -12.299 -12.299 538 2HA GLY 74 1HA GLY 74 -17.239 -12.608 -12.608 539 H THR 75 H THR 75 -14.622 -11.005 -11.005 540 HA THR 75 HA THR 75 -14.295 -13.349 -13.349 541 HB THR 75 HB THR 75 -14.450 -10.818 -10.818 542 HG1 THR 75 HG1 THR 75 -16.378 -10.393 -10.393 543 1HG2 THR 75 2HG2 THR 75 -15.875 -13.496 -13.496 544 2HG2 THR 75 1HG2 THR 75 -15.820 -12.396 -12.396 545 3HG2 THR 75 3HG2 THR 75 -14.343 -13.218 -13.218 546 H GLU 76 H GLU 76 -12.355 -13.784 -13.784 547 HA GLU 76 HA GLU 76 -10.173 -12.249 -12.249 548 1HB GLU 76 2HB GLU 76 -10.533 -14.783 -14.783 549 2HB GLU 76 1HB GLU 76 -8.915 -14.144 -14.144 550 1HG GLU 76 2HG GLU 76 -9.781 -15.820 -15.820 551 2HG GLU 76 1HG GLU 76 -9.051 -14.349 -14.349 552 H LYS 77 H LYS 77 -11.209 -12.923 -12.923 553 HA LYS 77 HA LYS 77 -9.248 -11.267 -11.267 554 1HB LYS 77 2HB LYS 77 -10.629 -11.194 -11.194 555 2HB LYS 77 1HB LYS 77 -10.971 -12.733 -12.733 556 1HG LYS 77 2HG LYS 77 -13.163 -12.302 -12.302 557 2HG LYS 77 1HG LYS 77 -12.987 -10.984 -10.984 558 1HD LYS 77 2HD LYS 77 -12.737 -10.827 -10.827 559 2HD LYS 77 1HD LYS 77 -14.131 -10.322 -10.322 560 1HE LYS 77 2HE LYS 77 -12.746 -8.541 -8.541 561 2HE LYS 77 1HE LYS 77 -11.363 -9.021 -9.021 562 1HZ LYS 77 2HZ LYS 77 -13.509 -8.574 -8.574 563 2HZ LYS 77 1HZ LYS 77 -13.449 -7.254 -7.254 564 3HZ LYS 77 3HZ LYS 77 -12.074 -7.691 -7.691 565 H ALA 78 H ALA 78 -12.339 -10.369 -10.369 566 HA ALA 78 HA ALA 78 -11.999 -7.570 -7.570 567 1HB ALA 78 3HB ALA 78 -14.254 -8.482 -8.482 568 2HB ALA 78 2HB ALA 78 -13.596 -8.724 -8.724 569 3HB ALA 78 1HB ALA 78 -13.766 -7.108 -7.108 570 H LYS 79 H LYS 79 -11.324 -9.351 -9.351 571 HA LYS 79 HA LYS 79 -10.319 -7.320 -7.320 572 1HB LYS 79 2HB LYS 79 -9.381 -10.229 -10.229 573 2HB LYS 79 1HB LYS 79 -9.191 -9.215 -9.215 574 1HG LYS 79 2HG LYS 79 -12.042 -9.378 -9.378 575 2HG LYS 79 1HG LYS 79 -11.411 -10.929 -10.929 576 1HD LYS 79 2HD LYS 79 -11.247 -8.465 -8.465 577 2HD LYS 79 1HD LYS 79 -12.663 -9.482 -9.482 578 1HE LYS 79 2HE LYS 79 -9.910 -10.674 -10.674 579 2HE LYS 79 1HE LYS 79 -10.776 -10.034 -10.034 580 1HZ LYS 79 2HZ LYS 79 -12.515 -11.737 -11.737 581 2HZ LYS 79 1HZ LYS 79 -11.068 -12.551 -12.551 582 3HZ LYS 79 3HZ LYS 79 -11.860 -11.953 -11.953 583 H LEU 80 H LEU 80 -8.624 -9.404 -9.404 584 HA LEU 80 HA LEU 80 -5.991 -8.241 -8.241 585 1HB LEU 80 2HB LEU 80 -7.160 -10.181 -10.181 586 2HB LEU 80 1HB LEU 80 -5.444 -9.944 -9.944 587 HG LEU 80 HG LEU 80 -7.331 -10.764 -10.764 588 1HD1 LEU 80 3HD1 LEU 80 -5.802 -12.642 -12.642 589 2HD1 LEU 80 2HD1 LEU 80 -6.694 -13.094 -13.094 590 3HD1 LEU 80 1HD1 LEU 80 -7.540 -12.468 -12.468 591 1HD2 LEU 80 3HD2 LEU 80 -4.350 -11.069 -11.069 592 2HD2 LEU 80 2HD2 LEU 80 -5.105 -9.879 -9.879 593 3HD2 LEU 80 1HD2 LEU 80 -5.233 -11.574 -11.574 594 H VAL 81 H VAL 81 -8.443 -8.067 -8.067 595 HA VAL 81 HA VAL 81 -6.739 -6.420 -6.420 596 HB VAL 81 HB VAL 81 -9.722 -7.094 -7.094 597 1HG1 VAL 81 2HG1 VAL 81 -7.884 -5.846 -5.846 598 2HG1 VAL 81 1HG1 VAL 81 -9.540 -6.355 -6.355 599 3HG1 VAL 81 3HG1 VAL 81 -9.213 -5.045 -5.045 600 1HG2 VAL 81 2HG2 VAL 81 -7.227 -8.110 -8.110 601 2HG2 VAL 81 1HG2 VAL 81 -8.102 -9.019 -9.019 602 3HG2 VAL 81 3HG2 VAL 81 -8.847 -8.691 -8.691 603 H GLU 82 H GLU 82 -9.570 -5.762 -5.762 604 HA GLU 82 HA GLU 82 -9.687 -2.989 -2.989 605 1HB GLU 82 2HB GLU 82 -10.349 -4.441 -4.441 606 2HB GLU 82 1HB GLU 82 -10.762 -2.774 -2.774 607 1HG GLU 82 2HG GLU 82 -12.361 -3.395 -3.395 608 2HG GLU 82 1HG GLU 82 -11.807 -5.059 -5.059 609 H LEU 83 H LEU 83 -7.744 -4.942 -4.942 610 HA LEU 83 HA LEU 83 -6.343 -2.740 -2.740 611 1HB LEU 83 2HB LEU 83 -5.896 -4.870 -4.870 612 2HB LEU 83 1HB LEU 83 -5.638 -5.668 -5.668 613 HG LEU 83 HG LEU 83 -3.503 -3.961 -3.961 614 1HD1 LEU 83 3HD1 LEU 83 -4.152 -2.730 -2.730 615 2HD1 LEU 83 2HD1 LEU 83 -3.995 -4.215 -4.215 616 3HD1 LEU 83 1HD1 LEU 83 -2.593 -3.510 -3.510 617 1HD2 LEU 83 2HD2 LEU 83 -3.360 -6.383 -6.383 618 2HD2 LEU 83 1HD2 LEU 83 -2.113 -5.704 -5.704 619 3HD2 LEU 83 3HD2 LEU 83 -3.515 -6.483 -6.483 620 H TYR 84 H TYR 84 -5.123 -4.951 -4.951 621 HA TYR 84 HA TYR 84 -3.038 -3.921 -3.921 622 1HB TYR 84 2HB TYR 84 -4.323 -5.909 -5.909 623 2HB TYR 84 1HB TYR 84 -5.426 -4.874 -4.874 624 HD1 TYR 84 HD1 TYR 84 -2.069 -6.088 -6.088 625 HD2 TYR 84 HD2 TYR 84 -4.603 -3.518 -3.518 626 HE1 TYR 84 HE1 TYR 84 -0.450 -5.901 -5.901 627 HE2 TYR 84 HE2 TYR 84 -2.992 -3.280 -3.280 628 HH TYR 84 HH TYR 84 -0.738 -5.134 -5.134 629 H ARG 85 H ARG 85 -5.954 -3.154 -3.154 630 HA ARG 85 HA ARG 85 -4.896 -0.904 -0.904 631 1HB ARG 85 2HB ARG 85 -7.213 -0.284 -0.284 632 2HB ARG 85 1HB ARG 85 -7.003 -2.008 -2.008 633 1HG ARG 85 2HG ARG 85 -7.967 -1.921 -1.921 634 2HG ARG 85 1HG ARG 85 -8.568 -0.368 -0.368 635 1HD ARG 85 2HD ARG 85 -9.202 -3.086 -3.086 636 2HD ARG 85 1HD ARG 85 -10.295 -1.901 -1.901 637 HE ARG 85 HE ARG 85 -9.986 -0.483 -0.483 638 1HH1 ARG 85 2HH1 ARG 85 -8.481 -3.621 -3.621 639 2HH1 ARG 85 1HH1 ARG 85 -8.293 -3.457 -3.457 640 1HH2 ARG 85 1HH2 ARG 85 -9.853 -0.287 -0.287 641 2HH2 ARG 85 2HH2 ARG 85 -9.187 -1.591 -1.591 642 H MET 86 H MET 86 -6.593 -0.942 -0.942 643 HA MET 86 HA MET 86 -6.725 1.798 1.798 644 1HB MET 86 2HB MET 86 -7.654 0.202 0.202 645 2HB MET 86 1HB MET 86 -6.072 -0.389 -0.389 646 1HG MET 86 2HG MET 86 -5.640 2.159 2.159 647 2HG MET 86 1HG MET 86 -7.371 2.196 2.196 648 1HE MET 86 2HE MET 86 -8.527 0.054 0.054 649 2HE MET 86 1HE MET 86 -7.401 -1.220 -1.220 650 3HE MET 86 3HE MET 86 -8.283 -0.284 -0.284 651 H VAL 87 H VAL 87 -4.213 -0.393 -0.393 652 HA VAL 87 HA VAL 87 -2.221 1.311 1.311 653 HB VAL 87 HB VAL 87 -2.141 -1.392 -1.392 654 1HG1 VAL 87 2HG1 VAL 87 -0.153 0.109 0.109 655 2HG1 VAL 87 1HG1 VAL 87 0.043 -1.551 -1.551 656 3HG1 VAL 87 3HG1 VAL 87 0.111 -0.226 -0.226 657 1HG2 VAL 87 2HG2 VAL 87 -3.550 -1.411 -1.411 658 2HG2 VAL 87 1HG2 VAL 87 -2.063 -2.290 -2.290 659 3HG2 VAL 87 3HG2 VAL 87 -2.294 -0.691 -0.691 660 H ALA 88 H ALA 88 -3.011 0.102 0.102 661 HA ALA 88 HA ALA 88 -0.627 0.954 0.954 662 1HB ALA 88 2HB ALA 88 -2.288 -0.693 -0.693 663 2HB ALA 88 1HB ALA 88 -3.454 0.571 0.571 664 3HB ALA 88 3HB ALA 88 -1.971 0.586 0.586 665 H TYR 89 H TYR 89 -3.827 2.568 2.568 666 HA TYR 89 HA TYR 89 -2.762 4.998 4.998 667 1HB TYR 89 2HB TYR 89 -4.871 6.061 6.061 668 2HB TYR 89 1HB TYR 89 -5.369 4.393 4.393 669 HD1 TYR 89 HD2 TYR 89 -4.609 7.083 7.083 670 HD2 TYR 89 HD1 TYR 89 -6.385 3.257 3.257 671 HE1 TYR 89 HE2 TYR 89 -5.555 7.190 7.190 672 HE2 TYR 89 HE1 TYR 89 -7.340 3.433 3.433 673 HH TYR 89 HH TYR 89 -6.338 6.083 6.083 674 H LEU 90 H LEU 90 -3.530 4.013 4.013 675 HA LEU 90 HA LEU 90 -2.802 6.225 6.225 676 1HB LEU 90 2HB LEU 90 -3.920 4.218 4.218 677 2HB LEU 90 1HB LEU 90 -2.507 3.255 3.255 678 HG LEU 90 HG LEU 90 -2.970 3.712 3.712 679 1HD1 LEU 90 3HD1 LEU 90 -0.689 3.119 3.119 680 2HD1 LEU 90 2HD1 LEU 90 -0.281 4.796 4.796 681 3HD1 LEU 90 1HD1 LEU 90 -0.708 4.297 4.297 682 1HD2 LEU 90 3HD2 LEU 90 -2.281 6.609 6.609 683 2HD2 LEU 90 2HD2 LEU 90 -3.830 5.960 5.960 684 3HD2 LEU 90 1HD2 LEU 90 -2.465 5.970 5.970 685 H SER 91 H SER 91 -0.791 3.427 3.427 686 HA SER 91 HA SER 91 1.668 4.443 4.443 687 1HB SER 91 2HB SER 91 1.221 2.051 2.051 688 2HB SER 91 1HB SER 91 1.364 2.626 2.626 689 HG SER 91 HG SER 91 3.402 3.422 3.422 690 H ALA 92 H ALA 92 0.486 4.595 4.595 691 HA ALA 92 HA ALA 92 2.595 6.138 6.138 692 1HB ALA 92 3HB ALA 92 -0.361 6.142 6.142 693 2HB ALA 92 2HB ALA 92 0.935 6.769 6.769 694 3HB ALA 92 1HB ALA 92 0.845 5.050 5.050 695 H SER 93 H SER 93 -0.312 7.113 7.113 696 HA SER 93 HA SER 93 0.067 9.974 9.974 697 1HB SER 93 2HB SER 93 -1.588 8.500 8.500 698 2HB SER 93 1HB SER 93 -1.776 10.200 10.200 699 HG SER 93 HG SER 93 -2.330 7.877 7.877 700 H LEU 94 H LEU 94 1.029 7.576 7.576 701 HA LEU 94 HA LEU 94 2.004 9.453 9.453 702 1HB LEU 94 2HB LEU 94 3.054 6.672 6.672 703 2HB LEU 94 1HB LEU 94 3.432 7.573 7.573 704 HG LEU 94 HG LEU 94 0.843 6.386 6.386 705 1HD1 LEU 94 3HD1 LEU 94 2.753 5.693 5.693 706 2HD1 LEU 94 2HD1 LEU 94 1.158 5.045 5.045 707 3HD1 LEU 94 1HD1 LEU 94 2.318 4.693 4.693 708 1HD2 LEU 94 3HD2 LEU 94 1.290 8.124 8.124 709 2HD2 LEU 94 2HD2 LEU 94 0.213 8.452 8.452 710 3HD2 LEU 94 1HD2 LEU 94 -0.102 7.112 7.112 711 H THR 95 H THR 95 3.470 7.637 7.637 712 HA THR 95 HA THR 95 6.085 8.646 8.646 713 HB THR 95 HB THR 95 4.394 7.793 7.793 714 HG1 THR 95 HG1 THR 95 6.665 6.497 6.497 715 1HG2 THR 95 3HG2 THR 95 7.441 8.418 8.418 716 2HG2 THR 95 2HG2 THR 95 6.613 7.768 7.768 717 3HG2 THR 95 1HG2 THR 95 6.302 9.404 9.404 718 H ASN 96 H ASN 96 3.387 9.924 9.924 719 HA ASN 96 HA ASN 96 4.413 12.254 12.254 720 1HB ASN 96 2HB ASN 96 2.160 11.096 11.096 721 2HB ASN 96 1HB ASN 96 1.684 11.874 11.874 722 1HD2 ASN 96 2HD2 ASN 96 1.021 13.763 13.763 723 2HD2 ASN 96 1HD2 ASN 96 1.135 12.083 12.083 724 H ILE 97 H ILE 97 2.956 11.996 11.996 725 HA ILE 97 HA ILE 97 3.671 14.784 14.784 726 HB ILE 97 HB ILE 97 1.649 13.682 13.682 727 1HG1 ILE 97 2HG1 ILE 97 1.915 14.295 14.295 728 2HG1 ILE 97 1HG1 ILE 97 3.648 14.366 14.366 729 1HG2 ILE 97 3HG2 ILE 97 3.579 11.864 11.864 730 2HG2 ILE 97 2HG2 ILE 97 1.858 11.987 11.987 731 3HG2 ILE 97 1HG2 ILE 97 2.443 11.422 11.422 732 1HD1 ILE 97 3HD1 ILE 97 3.278 16.306 16.306 733 2HD1 ILE 97 2HD1 ILE 97 1.558 16.123 16.123 734 3HD1 ILE 97 1HD1 ILE 97 2.574 16.654 16.654 735 H THR 98 H THR 98 5.009 11.631 11.631 736 HA THR 98 HA THR 98 6.987 12.148 12.148 737 HB THR 98 HB THR 98 7.102 10.301 10.301 738 HG1 THR 98 HG1 THR 98 5.600 9.958 9.958 739 1HG2 THR 98 1HG2 THR 98 9.472 10.732 10.732 740 2HG2 THR 98 3HG2 THR 98 8.952 10.158 10.158 741 3HG2 THR 98 2HG2 THR 98 8.893 9.088 9.088 742 H ARG 99 H ARG 99 7.225 12.553 12.553 743 HA ARG 99 HA ARG 99 9.855 13.733 13.733 744 1HB ARG 99 2HB ARG 99 7.603 13.854 13.854 745 2HB ARG 99 1HB ARG 99 9.211 14.473 14.473 746 1HG ARG 99 2HG ARG 99 9.446 11.771 11.771 747 2HG ARG 99 1HG ARG 99 8.263 11.743 11.743 748 1HD ARG 99 2HD ARG 99 11.017 12.988 12.988 749 2HD ARG 99 1HD ARG 99 10.663 11.324 11.324 750 HE ARG 99 HE ARG 99 8.750 12.826 12.826 751 1HH1 ARG 99 2HH1 ARG 99 12.149 12.937 12.937 752 2HH1 ARG 99 1HH1 ARG 99 12.438 13.591 13.591 753 1HH2 ARG 99 1HH2 ARG 99 8.966 13.683 13.683 754 2HH2 ARG 99 2HH2 ARG 99 10.507 14.056 14.056 755 H ASP 100 H ASP 100 6.638 15.185 15.185 756 HA ASP 100 HA ASP 100 7.315 17.886 17.886 757 1HB ASP 100 2HB ASP 100 4.937 16.987 16.987 758 2HB ASP 100 1HB ASP 100 4.974 16.764 16.764 759 H GLN 101 H GLN 101 6.425 16.150 16.150 760 HA GLN 101 HA GLN 101 7.193 18.179 18.179 761 1HB GLN 101 2HB GLN 101 7.005 15.141 15.141 762 2HB GLN 101 1HB GLN 101 6.981 16.276 16.276 763 1HG GLN 101 2HG GLN 101 4.929 16.212 16.212 764 2HG GLN 101 1HG GLN 101 4.693 15.769 15.769 765 1HE2 GLN 101 2HE2 GLN 101 4.381 19.646 19.646 766 2HE2 GLN 101 1HE2 GLN 101 4.556 18.488 18.488 767 H LYS 102 H LYS 102 9.037 15.361 15.361 768 HA LYS 102 HA LYS 102 11.339 15.803 15.803 769 1HB LYS 102 2HB LYS 102 11.085 13.829 13.829 770 2HB LYS 102 1HB LYS 102 11.275 14.956 14.956 771 1HG LYS 102 2HG LYS 102 13.568 15.501 15.501 772 2HG LYS 102 1HG LYS 102 13.415 14.718 14.718 773 1HD LYS 102 2HD LYS 102 14.743 13.291 13.291 774 2HD LYS 102 1HD LYS 102 13.183 12.516 12.516 775 1HE LYS 102 2HE LYS 102 12.428 13.320 13.320 776 2HE LYS 102 1HE LYS 102 13.998 14.079 14.079 777 1HZ LYS 102 2HZ LYS 102 14.492 11.439 11.439 778 2HZ LYS 102 1HZ LYS 102 13.267 11.369 11.369 779 3HZ LYS 102 3HZ LYS 102 14.750 12.117 12.117 780 H VAL 103 H VAL 103 10.116 17.492 17.492 781 HA VAL 103 HA VAL 103 12.527 19.256 19.256 782 HB VAL 103 HB VAL 103 10.190 18.909 18.909 783 1HG1 VAL 103 3HG1 VAL 103 12.881 20.301 20.301 784 2HG1 VAL 103 2HG1 VAL 103 11.657 20.045 20.045 785 3HG1 VAL 103 1HG1 VAL 103 11.323 21.095 21.095 786 1HG2 VAL 103 2HG2 VAL 103 11.580 16.833 16.833 787 2HG2 VAL 103 1HG2 VAL 103 11.819 17.572 17.572 788 3HG2 VAL 103 3HG2 VAL 103 13.033 17.759 17.759 789 H LEU 104 H LEU 104 9.411 19.246 19.246 790 HA LEU 104 HA LEU 104 9.098 22.183 22.183 791 1HB LEU 104 2HB LEU 104 7.242 19.991 19.991 792 2HB LEU 104 1HB LEU 104 7.100 20.811 20.811 793 HG LEU 104 HG LEU 104 5.479 21.621 21.621 794 1HD1 LEU 104 1HD1 LEU 104 6.332 23.284 23.284 795 2HD1 LEU 104 3HD1 LEU 104 7.632 23.720 23.720 796 3HD1 LEU 104 2HD1 LEU 104 5.975 24.068 24.068 797 1HD2 LEU 104 3HD2 LEU 104 6.757 21.136 21.136 798 2HD2 LEU 104 2HD2 LEU 104 6.205 22.797 22.797 799 3HD2 LEU 104 1HD2 LEU 104 7.885 22.430 22.430 800 H ASN 105 H ASN 105 9.629 19.728 19.728 801 HA ASN 105 HA ASN 105 10.538 21.980 21.980 802 1HB ASN 105 2HB ASN 105 8.190 20.202 20.202 803 2HB ASN 105 1HB ASN 105 9.059 20.794 20.794 804 1HD2 ASN 105 2HD2 ASN 105 8.191 24.265 24.265 805 2HD2 ASN 105 1HD2 ASN 105 9.708 23.519 23.519 806 HA PRO 106 HA PRO 106 13.925 19.872 19.872 807 1HB PRO 106 2HB PRO 106 14.620 21.117 21.117 808 2HB PRO 106 1HB PRO 106 14.549 22.010 22.010 809 1HG PRO 106 2HG PRO 106 12.348 21.763 21.763 810 2HG PRO 106 1HG PRO 106 13.027 23.245 23.245 811 1HD PRO 106 2HD PRO 106 10.740 22.211 22.211 812 2HD PRO 106 1HD PRO 106 11.969 22.896 22.896 813 H SER 107 H SER 107 11.270 19.709 19.709 814 HA SER 107 HA SER 107 12.351 17.465 17.465 815 1HB SER 107 2HB SER 107 9.615 18.856 18.856 816 2HB SER 107 1HB SER 107 10.450 17.917 17.917 817 HG SER 107 HG SER 107 11.662 19.617 19.617 818 H ALA 108 H ALA 108 10.149 18.331 18.331 819 HA ALA 108 HA ALA 108 8.461 16.103 16.103 820 1HB ALA 108 3HB ALA 108 9.770 17.597 17.597 821 2HB ALA 108 2HB ALA 108 8.425 16.515 16.515 822 3HB ALA 108 1HB ALA 108 8.236 18.034 18.034 823 H VAL 109 H VAL 109 11.675 16.710 16.710 824 HA VAL 109 HA VAL 109 12.372 14.526 14.526 825 HB VAL 109 HB VAL 109 13.880 16.410 16.410 826 1HG1 VAL 109 3HG1 VAL 109 13.456 16.125 16.125 827 2HG1 VAL 109 2HG1 VAL 109 14.302 14.591 14.591 828 3HG1 VAL 109 1HG1 VAL 109 15.168 16.072 16.072 829 1HG2 VAL 109 2HG2 VAL 109 15.037 13.590 13.590 830 2HG2 VAL 109 1HG2 VAL 109 14.793 14.555 14.555 831 3HG2 VAL 109 3HG2 VAL 109 15.961 15.065 15.065 832 H SER 110 H SER 110 11.872 14.485 14.485 833 HA SER 110 HA SER 110 12.696 11.640 11.640 834 1HB SER 110 2HB SER 110 12.088 11.862 11.862 835 2HB SER 110 1HB SER 110 12.930 13.353 13.353 836 HG SER 110 HG SER 110 11.030 14.441 14.441 837 H LEU 111 H LEU 111 9.786 13.502 13.502 838 HA LEU 111 HA LEU 111 7.796 11.600 11.600 839 1HB LEU 111 2HB LEU 111 6.431 13.388 13.388 840 2HB LEU 111 1HB LEU 111 7.832 14.305 14.305 841 HG LEU 111 HG LEU 111 7.620 13.899 13.899 842 1HD1 LEU 111 3HD1 LEU 111 4.967 12.446 12.446 843 2HD1 LEU 111 2HD1 LEU 111 5.493 13.004 13.004 844 3HD1 LEU 111 1HD1 LEU 111 6.321 11.708 11.708 845 1HD2 LEU 111 2HD2 LEU 111 5.170 15.095 15.095 846 2HD2 LEU 111 1HD2 LEU 111 6.635 15.903 15.903 847 3HD2 LEU 111 3HD2 LEU 111 5.598 15.198 15.198 848 H HIS 112 H HIS 112 9.274 12.467 12.467 849 HA HIS 112 HA HIS 112 7.803 10.530 10.530 850 1HB HIS 112 2HB HIS 112 8.791 11.579 11.579 851 2HB HIS 112 1HB HIS 112 9.038 12.790 12.790 852 HD1 HIS 112 HD1 HIS 112 11.315 9.773 9.773 853 HD2 HIS 112 HD2 HIS 112 11.206 13.845 13.845 854 HE1 HIS 112 HE1 HIS 112 13.630 10.539 10.539 855 H SER 113 H SER 113 11.308 10.455 10.455 856 HA SER 113 HA SER 113 11.927 7.999 7.999 857 1HB SER 113 2HB SER 113 12.670 9.013 9.013 858 2HB SER 113 1HB SER 113 13.399 7.571 7.571 859 HG SER 113 HG SER 113 14.547 9.003 9.003 860 H LYS 114 H LYS 114 10.155 8.501 8.501 861 HA LYS 114 HA LYS 114 9.700 5.729 5.729 862 1HB LYS 114 2HB LYS 114 9.180 7.831 7.831 863 2HB LYS 114 1HB LYS 114 7.701 8.003 8.003 864 1HG LYS 114 2HG LYS 114 7.023 5.689 5.689 865 2HG LYS 114 1HG LYS 114 8.449 5.515 5.515 866 1HD LYS 114 2HD LYS 114 6.046 7.336 7.336 867 2HD LYS 114 1HD LYS 114 6.548 5.963 5.963 868 1HE LYS 114 2HE LYS 114 7.274 7.793 7.793 869 2HE LYS 114 1HE LYS 114 8.735 7.292 7.292 870 1HZ LYS 114 1HZ LYS 114 7.351 9.159 9.159 871 2HZ LYS 114 3HZ LYS 114 7.485 9.814 9.814 872 3HZ LYS 114 2HZ LYS 114 8.864 9.309 9.309 873 H LEU 115 H LEU 115 7.972 8.098 8.098 874 HA LEU 115 HA LEU 115 5.841 6.424 6.424 875 1HB LEU 115 2HB LEU 115 6.056 9.021 9.021 876 2HB LEU 115 1HB LEU 115 6.983 8.759 8.759 877 HG LEU 115 HG LEU 115 5.174 7.849 7.849 878 1HD1 LEU 115 3HD1 LEU 115 3.683 7.902 7.902 879 2HD1 LEU 115 2HD1 LEU 115 2.948 7.529 7.529 880 3HD1 LEU 115 1HD1 LEU 115 4.138 6.461 6.461 881 1HD2 LEU 115 1HD2 LEU 115 4.109 10.164 10.164 882 2HD2 LEU 115 3HD2 LEU 115 5.100 10.324 10.324 883 3HD2 LEU 115 2HD2 LEU 115 3.476 9.679 9.679 884 H ASN 116 H ASN 116 9.063 6.910 6.910 885 HA ASN 116 HA ASN 116 8.727 5.735 5.735 886 1HB ASN 116 2HB ASN 116 11.129 5.531 5.531 887 2HB ASN 116 1HB ASN 116 11.119 4.893 4.893 888 1HD2 ASN 116 2HD2 ASN 116 11.844 7.832 7.832 889 2HD2 ASN 116 1HD2 ASN 116 11.611 6.145 6.145 890 H ALA 117 H ALA 117 9.415 4.374 4.374 891 HA ALA 117 HA ALA 117 9.700 1.724 1.724 892 1HB ALA 117 2HB ALA 117 8.532 2.553 2.553 893 2HB ALA 117 1HB ALA 117 9.077 0.936 0.936 894 3HB ALA 117 3HB ALA 117 10.239 2.246 2.246 895 H THR 118 H THR 118 6.837 3.190 3.190 896 HA THR 118 HA THR 118 5.013 1.199 1.199 897 HB THR 118 HB THR 118 3.357 3.445 3.445 898 HG1 THR 118 HG1 THR 118 5.501 4.449 4.449 899 1HG2 THR 118 1HG2 THR 118 4.800 3.169 3.169 900 2HG2 THR 118 3HG2 THR 118 3.299 4.028 4.028 901 3HG2 THR 118 2HG2 THR 118 3.334 2.277 2.277 902 H ILE 119 H ILE 119 6.182 3.515 3.515 903 HA ILE 119 HA ILE 119 4.301 2.631 2.631 904 HB ILE 119 HB ILE 119 6.982 4.121 4.121 905 1HG1 ILE 119 2HG1 ILE 119 4.154 5.089 5.089 906 2HG1 ILE 119 1HG1 ILE 119 5.075 5.282 5.282 907 1HG2 ILE 119 2HG2 ILE 119 6.662 2.991 2.991 908 2HG2 ILE 119 1HG2 ILE 119 5.099 3.735 3.735 909 3HG2 ILE 119 3HG2 ILE 119 6.538 4.732 4.732 910 1HD1 ILE 119 2HD1 ILE 119 6.773 6.634 6.634 911 2HD1 ILE 119 1HD1 ILE 119 5.601 6.554 6.554 912 3HD1 ILE 119 3HD1 ILE 119 5.219 7.401 7.401 913 H ASP 120 H ASP 120 7.767 2.197 2.197 914 HA ASP 120 HA ASP 120 8.259 0.247 0.247 915 1HB ASP 120 2HB ASP 120 10.071 1.228 1.228 916 2HB ASP 120 1HB ASP 120 9.418 0.774 0.774 917 H VAL 121 H VAL 121 7.636 -0.445 -0.445 918 HA VAL 121 HA VAL 121 7.431 -3.265 -3.265 919 HB VAL 121 HB VAL 121 6.494 -3.114 -3.114 920 1HG1 VAL 121 1HG1 VAL 121 8.448 -0.821 -0.821 921 2HG1 VAL 121 3HG1 VAL 121 8.015 -1.592 -1.592 922 3HG1 VAL 121 2HG1 VAL 121 8.835 -2.500 -2.500 923 1HG2 VAL 121 2HG2 VAL 121 5.760 -0.306 -0.306 924 2HG2 VAL 121 1HG2 VAL 121 4.663 -1.605 -1.605 925 3HG2 VAL 121 3HG2 VAL 121 5.683 -0.954 -0.954 926 H MET 122 H MET 122 4.975 -0.716 -0.716 927 HA MET 122 HA MET 122 2.779 -2.550 -2.550 928 1HB MET 122 2HB MET 122 3.216 0.335 0.335 929 2HB MET 122 1HB MET 122 1.822 -0.493 -0.493 930 1HG MET 122 2HG MET 122 2.759 -0.500 -0.500 931 2HG MET 122 1HG MET 122 1.557 0.612 0.612 932 1HE MET 122 1HE MET 122 0.050 0.011 0.011 933 2HE MET 122 3HE MET 122 -0.914 0.177 0.177 934 3HE MET 122 2HE MET 122 -1.234 -1.131 -1.131 935 H ARG 123 H ARG 123 4.956 -1.044 -1.044 936 HA ARG 123 HA ARG 123 3.646 -2.076 -2.076 937 1HB ARG 123 2HB ARG 123 6.676 -1.781 -1.781 938 2HB ARG 123 1HB ARG 123 5.895 -1.841 -1.841 939 1HG ARG 123 2HG ARG 123 4.716 0.282 0.282 940 2HG ARG 123 1HG ARG 123 5.357 0.350 0.350 941 1HD ARG 123 2HD ARG 123 6.712 1.806 1.806 942 2HD ARG 123 1HD ARG 123 7.671 0.460 0.460 943 HE ARG 123 HE ARG 123 7.463 -0.649 -0.649 944 1HH1 ARG 123 2HH1 ARG 123 5.949 2.411 2.411 945 2HH1 ARG 123 1HH1 ARG 123 5.823 2.601 2.601 946 1HH2 ARG 123 1HH2 ARG 123 7.380 -0.526 -0.526 947 2HH2 ARG 123 2HH2 ARG 123 6.680 0.824 0.824 948 H GLY 124 H GLY 124 6.214 -3.508 -3.508 949 1HA GLY 124 2HA GLY 124 6.269 -5.991 -5.991 950 2HA GLY 124 1HA GLY 124 6.653 -5.831 -5.831 951 H LEU 125 H LEU 125 4.230 -4.913 -4.913 952 HA LEU 125 HA LEU 125 2.656 -7.267 -7.267 953 1HB LEU 125 2HB LEU 125 2.379 -4.339 -4.339 954 2HB LEU 125 1HB LEU 125 0.838 -5.126 -5.126 955 HG LEU 125 HG LEU 125 1.241 -6.461 -6.461 956 1HD1 LEU 125 1HD1 LEU 125 3.728 -7.013 -7.013 957 2HD1 LEU 125 3HD1 LEU 125 4.135 -5.430 -5.430 958 3HD1 LEU 125 2HD1 LEU 125 3.460 -6.602 -6.602 959 1HD2 LEU 125 2HD2 LEU 125 0.806 -4.061 -4.061 960 2HD2 LEU 125 1HD2 LEU 125 1.798 -4.765 -4.765 961 3HD2 LEU 125 3HD2 LEU 125 2.531 -3.743 -3.743 962 H LEU 126 H LEU 126 1.816 -4.515 -4.515 963 HA LEU 126 HA LEU 126 -0.300 -5.665 -5.665 964 1HB LEU 126 2HB LEU 126 1.874 -3.787 -3.787 965 2HB LEU 126 1HB LEU 126 0.879 -4.408 -4.408 966 HG LEU 126 HG LEU 126 -1.075 -3.814 -3.814 967 1HD1 LEU 126 2HD1 LEU 126 1.041 -1.799 -1.799 968 2HD1 LEU 126 1HD1 LEU 126 -0.661 -1.769 -1.769 969 3HD1 LEU 126 3HD1 LEU 126 0.334 -2.994 -2.994 970 1HD2 LEU 126 3HD2 LEU 126 0.113 -1.681 -1.681 971 2HD2 LEU 126 2HD2 LEU 126 -1.129 -2.829 -2.829 972 3HD2 LEU 126 1HD2 LEU 126 -1.428 -1.738 -1.738 973 H SER 127 H SER 127 3.049 -6.061 -6.061 974 HA SER 127 HA SER 127 2.480 -7.913 -7.913 975 1HB SER 127 2HB SER 127 4.921 -7.786 -7.786 976 2HB SER 127 1HB SER 127 4.860 -8.767 -8.767 977 HG SER 127 HG SER 127 4.865 -6.991 -6.991 978 H ASN 128 H ASN 128 3.116 -8.536 -8.536 979 HA ASN 128 HA ASN 128 2.772 -11.363 -11.363 980 1HB ASN 128 2HB ASN 128 1.942 -9.354 -9.354 981 2HB ASN 128 1HB ASN 128 1.862 -11.079 -11.079 982 1HD2 ASN 128 2HD2 ASN 128 5.370 -9.319 -9.319 983 2HD2 ASN 128 1HD2 ASN 128 4.024 -8.360 -8.360 984 H VAL 129 H VAL 129 0.324 -8.739 -8.739 985 HA VAL 129 HA VAL 129 -1.837 -10.643 -10.643 986 HB VAL 129 HB VAL 129 -1.597 -7.812 -7.812 987 1HG1 VAL 129 2HG1 VAL 129 -4.134 -9.526 -9.526 988 2HG1 VAL 129 1HG1 VAL 129 -4.118 -7.809 -7.809 989 3HG1 VAL 129 3HG1 VAL 129 -3.283 -8.874 -8.874 990 1HG2 VAL 129 1HG2 VAL 129 -3.313 -9.247 -9.247 991 2HG2 VAL 129 3HG2 VAL 129 -1.831 -8.359 -8.359 992 3HG2 VAL 129 2HG2 VAL 129 -3.268 -7.509 -7.509 993 H LEU 130 H LEU 130 -0.560 -9.003 -9.003 994 HA LEU 130 HA LEU 130 -2.027 -10.402 -10.402 995 1HB LEU 130 2HB LEU 130 0.578 -9.012 -9.012 996 2HB LEU 130 1HB LEU 130 0.387 -10.224 -10.224 997 HG LEU 130 HG LEU 130 -0.504 -8.102 -8.102 998 1HD1 LEU 130 1HD1 LEU 130 -1.799 -10.255 -10.255 999 2HD1 LEU 130 3HD1 LEU 130 -2.951 -9.833 -9.833 1000 3HD1 LEU 130 2HD1 LEU 130 -2.714 -8.792 -8.792 1001 1HD2 LEU 130 1HD2 LEU 130 -0.883 -7.159 -7.159 1002 2HD2 LEU 130 3HD2 LEU 130 -2.311 -6.927 -6.927 1003 3HD2 LEU 130 2HD2 LEU 130 -2.309 -8.144 -8.144 1004 H CYS 131 H CYS 131 0.837 -11.684 -11.684 1005 HA CYS 131 HA CYS 131 1.029 -13.957 -13.957 1006 1HB CYS 131 2HB CYS 131 2.635 -14.896 -14.896 1007 2HB CYS 131 1HB CYS 131 2.937 -13.216 -13.216 1008 H ARG 132 H ARG 132 -0.461 -13.418 -13.418 1009 HA ARG 132 HA ARG 132 -1.368 -16.205 -16.205 1010 1HB ARG 132 2HB ARG 132 -2.983 -15.420 -15.420 1011 2HB ARG 132 1HB ARG 132 -1.326 -14.960 -14.960 1012 1HG ARG 132 2HG ARG 132 -1.771 -12.738 -12.738 1013 2HG ARG 132 1HG ARG 132 -3.464 -13.112 -13.112 1014 1HD ARG 132 2HD ARG 132 -1.890 -12.808 -12.808 1015 2HD ARG 132 1HD ARG 132 -3.249 -11.827 -11.827 1016 HE ARG 132 HE ARG 132 -4.462 -14.231 -14.231 1017 1HH1 ARG 132 2HH1 ARG 132 -2.278 -12.533 -12.533 1018 2HH1 ARG 132 1HH1 ARG 132 -2.926 -13.146 -13.146 1019 1HH2 ARG 132 1HH2 ARG 132 -5.348 -15.118 -15.118 1020 2HH2 ARG 132 2HH2 ARG 132 -4.756 -14.669 -14.669 1021 H LEU 133 H LEU 133 -2.890 -13.130 -13.130 1022 HA LEU 133 HA LEU 133 -4.800 -14.766 -14.766 1023 1HB LEU 133 2HB LEU 133 -6.646 -13.358 -13.358 1024 2HB LEU 133 1HB LEU 133 -5.874 -13.869 -13.869 1025 HG LEU 133 HG LEU 133 -4.489 -11.531 -11.531 1026 1HD1 LEU 133 1HD1 LEU 133 -5.869 -10.914 -10.914 1027 2HD1 LEU 133 3HD1 LEU 133 -7.322 -10.945 -10.945 1028 3HD1 LEU 133 2HD1 LEU 133 -6.037 -9.778 -9.778 1029 1HD2 LEU 133 3HD2 LEU 133 -7.090 -11.760 -11.760 1030 2HD2 LEU 133 2HD2 LEU 133 -5.471 -12.110 -12.110 1031 3HD2 LEU 133 1HD2 LEU 133 -5.909 -10.469 -10.469 1032 H CYS 134 H CYS 134 -5.054 -14.081 -14.081 1033 HA CYS 134 HA CYS 134 -3.649 -11.560 -11.560 1034 1HB CYS 134 2HB CYS 134 -5.253 -12.941 -12.941 1035 2HB CYS 134 1HB CYS 134 -3.727 -12.175 -12.175 1036 H ASN 135 H ASN 135 -6.684 -12.941 -12.941 1037 HA ASN 135 HA ASN 135 -8.208 -10.468 -10.468 1038 1HB ASN 135 2HB ASN 135 -8.265 -11.331 -11.331 1039 2HB ASN 135 1HB ASN 135 -9.160 -12.701 -12.701 1040 1HD2 ASN 135 2HD2 ASN 135 -11.492 -9.633 -9.633 1041 2HD2 ASN 135 1HD2 ASN 135 -10.097 -9.997 -9.997 1042 H LYS 136 H LYS 136 -8.657 -13.993 -13.993 1043 HA LYS 136 HA LYS 136 -10.242 -13.916 -13.916 1044 1HB LYS 136 2HB LYS 136 -11.127 -15.492 -15.492 1045 2HB LYS 136 1HB LYS 136 -11.961 -15.330 -15.330 1046 1HG LYS 136 2HG LYS 136 -12.456 -12.923 -12.923 1047 2HG LYS 136 1HG LYS 136 -11.508 -13.006 -13.006 1048 1HD LYS 136 2HD LYS 136 -12.946 -14.634 -14.634 1049 2HD LYS 136 1HD LYS 136 -13.923 -14.831 -14.831 1050 1HE LYS 136 2HE LYS 136 -13.626 -12.143 -12.143 1051 2HE LYS 136 1HE LYS 136 -14.843 -13.321 -13.321 1052 1HZ LYS 136 1HZ LYS 136 -15.043 -13.025 -13.025 1053 2HZ LYS 136 3HZ LYS 136 -14.942 -11.464 -11.464 1054 3HZ LYS 136 2HZ LYS 136 -16.147 -12.534 -12.534 1055 H TYR 137 H TYR 137 -7.732 -14.387 -14.387 1056 HA TYR 137 HA TYR 137 -6.086 -15.865 -15.865 1057 1HB TYR 137 2HB TYR 137 -8.111 -18.094 -18.094 1058 2HB TYR 137 1HB TYR 137 -6.638 -17.955 -17.955 1059 HD1 TYR 137 HD2 TYR 137 -6.497 -15.880 -15.880 1060 HD2 TYR 137 HD1 TYR 137 -10.115 -17.323 -17.323 1061 HE1 TYR 137 HE2 TYR 137 -7.781 -14.864 -14.864 1062 HE2 TYR 137 HE1 TYR 137 -11.389 -16.324 -16.324 1063 HH TYR 137 HH TYR 137 -10.902 -15.708 -15.708 1064 H ARG 138 H ARG 138 -8.147 -17.361 -17.361 1065 HA ARG 138 HA ARG 138 -5.551 -17.950 -17.950 1066 1HB ARG 138 2HB ARG 138 -6.539 -20.019 -20.019 1067 2HB ARG 138 1HB ARG 138 -7.901 -19.906 -19.906 1068 1HG ARG 138 2HG ARG 138 -6.481 -20.232 -20.232 1069 2HG ARG 138 1HG ARG 138 -5.025 -20.068 -20.068 1070 1HD ARG 138 2HD ARG 138 -5.640 -22.170 -22.170 1071 2HD ARG 138 1HD ARG 138 -7.092 -22.307 -22.307 1072 HE ARG 138 HE ARG 138 -4.320 -22.225 -22.225 1073 1HH1 ARG 138 2HH1 ARG 138 -7.476 -23.698 -23.698 1074 2HH1 ARG 138 1HH1 ARG 138 -7.123 -24.746 -24.746 1075 1HH2 ARG 138 1HH2 ARG 138 -3.838 -23.548 -23.548 1076 2HH2 ARG 138 2HH2 ARG 138 -4.999 -24.647 -24.647 1077 H VAL 139 H VAL 139 -6.258 -15.921 -15.921 1078 HA VAL 139 HA VAL 139 -7.546 -16.668 -16.668 1079 HB VAL 139 HB VAL 139 -9.578 -16.060 -16.060 1080 1HG1 VAL 139 3HG1 VAL 139 -8.222 -14.398 -14.398 1081 2HG1 VAL 139 2HG1 VAL 139 -9.977 -14.596 -14.596 1082 3HG1 VAL 139 1HG1 VAL 139 -8.956 -15.972 -15.972 1083 1HG2 VAL 139 3HG2 VAL 139 -9.235 -14.231 -14.231 1084 2HG2 VAL 139 2HG2 VAL 139 -10.233 -13.681 -13.681 1085 3HG2 VAL 139 1HG2 VAL 139 -8.549 -13.204 -13.204 1086 H GLY 140 H GLY 140 -6.384 -13.865 -13.865 1087 1HA GLY 140 2HA GLY 140 -4.380 -12.598 -12.598 1088 2HA GLY 140 1HA GLY 140 -4.710 -13.160 -13.160 1089 H HIS 141 H HIS 141 -6.266 -11.169 -11.169 1090 HA HIS 141 HA HIS 141 -6.567 -8.862 -8.862 1091 1HB HIS 141 2HB HIS 141 -8.246 -10.202 -10.202 1092 2HB HIS 141 1HB HIS 141 -8.964 -10.736 -10.736 1093 HD1 HIS 141 HD1 HIS 141 -11.041 -9.621 -9.621 1094 HD2 HIS 141 HD2 HIS 141 -8.487 -7.068 -7.068 1095 HE1 HIS 141 HE1 HIS 141 -12.300 -7.492 -7.492 1096 H VAL 142 H VAL 142 -5.484 -8.083 -8.083 1097 HA VAL 142 HA VAL 142 -7.196 -8.154 -8.154 1098 HB VAL 142 HB VAL 142 -4.784 -8.595 -8.595 1099 1HG1 VAL 142 3HG1 VAL 142 -3.837 -7.133 -7.133 1100 2HG1 VAL 142 2HG1 VAL 142 -4.274 -5.707 -5.707 1101 3HG1 VAL 142 1HG1 VAL 142 -3.072 -6.797 -6.797 1102 1HG2 VAL 142 2HG2 VAL 142 -6.026 -7.571 -7.571 1103 2HG2 VAL 142 1HG2 VAL 142 -4.368 -7.011 -7.011 1104 3HG2 VAL 142 3HG2 VAL 142 -5.644 -5.969 -5.969 1105 H ASP 143 H ASP 143 -5.676 -5.796 -5.796 1106 HA ASP 143 HA ASP 143 -6.144 -3.660 -3.660 1107 1HB ASP 143 2HB ASP 143 -8.797 -4.002 -4.002 1108 2HB ASP 143 1HB ASP 143 -8.386 -2.747 -2.747 1109 H VAL 144 H VAL 144 -5.458 -1.855 -1.855 1110 HA VAL 144 HA VAL 144 -5.781 -0.962 -0.962 1111 HB VAL 144 HB VAL 144 -3.702 -2.245 -2.245 1112 1HG1 VAL 144 1HG1 VAL 144 -2.848 -0.204 -0.204 1113 2HG1 VAL 144 3HG1 VAL 144 -1.805 -1.419 -1.419 1114 3HG1 VAL 144 2HG1 VAL 144 -3.172 -1.908 -1.908 1115 1HG2 VAL 144 1HG2 VAL 144 -3.698 -0.461 -0.461 1116 2HG2 VAL 144 3HG2 VAL 144 -2.098 -0.611 -0.611 1117 3HG2 VAL 144 2HG2 VAL 144 -3.154 0.706 0.706 1118 HA PRO 145 HA PRO 145 -6.346 2.747 2.747 1119 1HB PRO 145 2HB PRO 145 -9.022 3.097 3.097 1120 2HB PRO 145 1HB PRO 145 -8.337 2.012 2.012 1121 1HG PRO 145 2HG PRO 145 -9.291 1.289 1.289 1122 2HG PRO 145 1HG PRO 145 -9.833 0.557 0.557 1123 1HD PRO 145 2HD PRO 145 -7.808 -0.655 -0.655 1124 2HD PRO 145 1HD PRO 145 -7.689 -0.514 -0.514 1125 HA PRO 146 HA PRO 146 -6.137 4.662 4.662 1126 1HB PRO 146 2HB PRO 146 -4.771 6.896 6.896 1127 2HB PRO 146 1HB PRO 146 -4.012 5.309 5.309 1128 1HG PRO 146 2HG PRO 146 -5.530 6.966 6.966 1129 2HG PRO 146 1HG PRO 146 -3.872 6.364 6.364 1130 1HD PRO 146 2HD PRO 146 -5.978 4.936 4.936 1131 2HD PRO 146 1HD PRO 146 -4.607 4.085 4.085 1132 H VAL 147 H VAL 147 -6.815 6.502 6.502 1133 HA VAL 147 HA VAL 147 -8.876 8.270 8.270 1134 HB VAL 147 HB VAL 147 -10.317 7.814 7.814 1135 1HG1 VAL 147 3HG1 VAL 147 -10.775 6.690 6.690 1136 2HG1 VAL 147 2HG1 VAL 147 -9.686 5.379 5.379 1137 3HG1 VAL 147 1HG1 VAL 147 -11.174 5.624 5.624 1138 1HG2 VAL 147 1HG2 VAL 147 -8.402 5.474 5.474 1139 2HG2 VAL 147 3HG2 VAL 147 -8.591 6.855 6.855 1140 3HG2 VAL 147 2HG2 VAL 147 -9.924 5.752 5.752 1141 HA PRO 148 HA PRO 148 -6.438 10.780 10.780 1142 1HB PRO 148 2HB PRO 148 -4.682 12.038 12.038 1143 2HB PRO 148 1HB PRO 148 -4.483 10.336 10.336 1144 1HG PRO 148 2HG PRO 148 -5.388 11.551 11.551 1145 2HG PRO 148 1HG PRO 148 -4.682 9.958 9.958 1146 1HD PRO 148 2HD PRO 148 -7.591 10.688 10.688 1147 2HD PRO 148 1HD PRO 148 -6.866 9.061 9.061 1148 H ASP 149 H ASP 149 -8.852 11.604 11.604 1149 HA ASP 149 HA ASP 149 -9.039 14.166 14.166 1150 1HB ASP 149 2HB ASP 149 -10.983 12.274 12.274 1151 2HB ASP 149 1HB ASP 149 -11.480 13.916 13.916 1152 H HIS 150 H HIS 150 -7.326 14.763 14.763 1153 HA HIS 150 HA HIS 150 -8.211 15.725 15.725 1154 1HB HIS 150 2HB HIS 150 -5.431 15.526 15.526 1155 2HB HIS 150 1HB HIS 150 -5.689 16.023 16.023 1156 HD1 HIS 150 HD1 HIS 150 -5.930 13.008 13.008 1157 HD2 HIS 150 HD2 HIS 150 -6.481 13.955 13.955 1158 HE1 HIS 150 HE1 HIS 150 -6.173 10.867 10.867 1159 H SER 151 H SER 151 -8.663 16.914 16.914 1160 HA SER 151 HA SER 151 -7.515 19.643 19.643 1161 1HB SER 151 2HB SER 151 -7.668 18.346 18.346 1162 2HB SER 151 1HB SER 151 -9.431 18.390 18.390 1163 HG SER 151 HG SER 151 -9.443 20.469 20.469 1164 H ASP 152 H ASP 152 -8.883 19.226 19.226 1165 HA ASP 152 HA ASP 152 -11.562 20.567 20.567 1166 1HB ASP 152 2HB ASP 152 -11.474 18.164 18.164 1167 2HB ASP 152 1HB ASP 152 -10.661 18.811 18.811 1168 H LYS 153 H LYS 153 -8.549 20.465 20.465 1169 HA LYS 153 HA LYS 153 -8.875 23.245 23.245 1170 1HB LYS 153 2HB LYS 153 -7.678 20.849 20.849 1171 2HB LYS 153 1HB LYS 153 -7.868 22.457 22.457 1172 1HG LYS 153 2HG LYS 153 -10.217 20.690 20.690 1173 2HG LYS 153 1HG LYS 153 -9.634 20.877 20.877 1174 1HD LYS 153 2HD LYS 153 -10.208 23.177 23.177 1175 2HD LYS 153 1HD LYS 153 -10.375 23.350 23.350 1176 1HE LYS 153 2HE LYS 153 -12.216 21.326 21.326 1177 2HE LYS 153 1HE LYS 153 -12.499 22.916 22.916 1178 1HZ LYS 153 1HZ LYS 153 -12.056 22.978 22.978 1179 2HZ LYS 153 3HZ LYS 153 -13.275 21.947 21.947 1180 3HZ LYS 153 2HZ LYS 153 -13.416 23.570 23.570 1181 H GLU 154 H GLU 154 -6.898 24.353 24.353 1182 HA GLU 154 HA GLU 154 -5.022 23.085 23.085 1183 1HB GLU 154 2HB GLU 154 -4.239 25.783 25.783 1184 2HB GLU 154 1HB GLU 154 -5.245 25.101 25.101 1185 1HG GLU 154 2HG GLU 154 -6.246 27.040 27.040 1186 2HG GLU 154 1HG GLU 154 -7.291 25.619 25.619 1187 H VAL 155 H VAL 155 -4.109 25.487 25.487 1188 HA VAL 155 HA VAL 155 -1.421 24.625 24.625 1189 HB VAL 155 HB VAL 155 -3.181 25.620 25.620 1190 1HG1 VAL 155 3HG1 VAL 155 -0.182 25.871 25.871 1191 2HG1 VAL 155 2HG1 VAL 155 -1.078 26.525 26.525 1192 3HG1 VAL 155 1HG1 VAL 155 -0.929 24.794 24.794 1193 1HG2 VAL 155 2HG2 VAL 155 -1.520 27.214 27.214 1194 2HG2 VAL 155 1HG2 VAL 155 -3.274 27.154 27.154 1195 3HG2 VAL 155 3HG2 VAL 155 -2.381 27.894 27.894 1196 H PHE 156 H PHE 156 -4.302 23.611 23.611 1197 HA PHE 156 HA PHE 156 -3.294 21.477 21.477 1198 1HB PHE 156 2HB PHE 156 -6.064 21.414 21.414 1199 2HB PHE 156 1HB PHE 156 -5.582 20.911 20.911 1200 HD1 PHE 156 HD1 PHE 156 -6.204 23.868 23.868 1201 HD2 PHE 156 HD2 PHE 156 -5.507 22.510 22.510 1202 HE1 PHE 156 HE1 PHE 156 -6.793 26.038 26.038 1203 HE2 PHE 156 HE2 PHE 156 -6.116 24.727 24.727 1204 HZ PHE 156 HZ PHE 156 -6.758 26.503 26.503 1205 H GLN 157 H GLN 157 -4.656 21.428 21.428 1206 HA GLN 157 HA GLN 157 -4.576 18.617 18.617 1207 1HB GLN 157 2HB GLN 157 -5.436 19.794 19.794 1208 2HB GLN 157 1HB GLN 157 -4.120 20.945 20.945 1209 1HG GLN 157 2HG GLN 157 -3.696 18.014 18.014 1210 2HG GLN 157 1HG GLN 157 -4.352 19.085 19.085 1211 1HE2 GLN 157 2HE2 GLN 157 -0.426 19.060 19.060 1212 2HE2 GLN 157 1HE2 GLN 157 -1.454 17.837 17.837 1213 H LYS 158 H LYS 158 -2.151 21.024 21.024 1214 HA LYS 158 HA LYS 158 0.021 19.362 19.362 1215 1HB LYS 158 2HB LYS 158 -0.411 22.123 22.123 1216 2HB LYS 158 1HB LYS 158 1.128 21.490 21.490 1217 1HG LYS 158 2HG LYS 158 0.211 21.309 21.309 1218 2HG LYS 158 1HG LYS 158 0.962 22.756 22.756 1219 1HD LYS 158 2HD LYS 158 2.980 21.392 21.392 1220 2HD LYS 158 1HD LYS 158 2.191 19.935 19.935 1221 1HE LYS 158 2HE LYS 158 3.963 20.871 20.871 1222 2HE LYS 158 1HE LYS 158 2.449 20.359 20.359 1223 1HZ LYS 158 2HZ LYS 158 2.261 23.039 23.039 1224 2HZ LYS 158 1HZ LYS 158 3.627 22.884 22.884 1225 3HZ LYS 158 3HZ LYS 158 2.095 22.404 22.404 1226 H LYS 159 H LYS 159 -0.157 20.901 20.901 1227 HA LYS 159 HA LYS 159 1.508 19.150 19.150 1228 1HB LYS 159 2HB LYS 159 -0.775 20.948 20.948 1229 2HB LYS 159 1HB LYS 159 0.269 20.159 20.159 1230 1HG LYS 159 2HG LYS 159 1.546 21.791 21.791 1231 2HG LYS 159 1HG LYS 159 0.836 22.633 22.633 1232 1HD LYS 159 2HD LYS 159 2.237 21.437 21.437 1233 2HD LYS 159 1HD LYS 159 2.927 20.430 20.430 1234 1HE LYS 159 2HE LYS 159 4.154 22.310 22.310 1235 2HE LYS 159 1HE LYS 159 3.256 23.458 23.458 1236 1HZ LYS 159 1HZ LYS 159 4.408 21.669 21.669 1237 2HZ LYS 159 3HZ LYS 159 5.650 22.064 22.064 1238 3HZ LYS 159 2HZ LYS 159 4.754 23.224 23.224 1239 H LYS 160 H LYS 160 -1.904 18.869 18.869 1240 HA LYS 160 HA LYS 160 -2.010 16.467 16.467 1241 1HB LYS 160 2HB LYS 160 -4.420 16.827 16.827 1242 2HB LYS 160 1HB LYS 160 -3.961 18.442 18.442 1243 1HG LYS 160 2HG LYS 160 -4.284 17.576 17.576 1244 2HG LYS 160 1HG LYS 160 -5.083 16.224 16.224 1245 1HD LYS 160 2HD LYS 160 -6.833 17.556 17.556 1246 2HD LYS 160 1HD LYS 160 -5.959 19.033 19.033 1247 1HE LYS 160 2HE LYS 160 -7.921 18.552 18.552 1248 2HE LYS 160 1HE LYS 160 -6.423 18.973 18.973 1249 1HZ LYS 160 1HZ LYS 160 -6.490 16.202 16.202 1250 2HZ LYS 160 3HZ LYS 160 -7.991 16.681 16.681 1251 3HZ LYS 160 2HZ LYS 160 -6.581 17.020 17.020 1252 H LEU 161 H LEU 161 -1.335 16.910 16.910 1253 HA LEU 161 HA LEU 161 -2.673 15.127 15.127 1254 1HB LEU 161 2HB LEU 161 -0.429 16.423 16.423 1255 2HB LEU 161 1HB LEU 161 0.375 15.044 15.044 1256 HG LEU 161 HG LEU 161 0.288 15.160 15.160 1257 1HD1 LEU 161 3HD1 LEU 161 0.741 13.036 13.036 1258 2HD1 LEU 161 2HD1 LEU 161 -0.966 12.658 12.658 1259 3HD1 LEU 161 1HD1 LEU 161 -0.203 12.800 12.800 1260 1HD2 LEU 161 2HD2 LEU 161 -2.107 15.952 15.952 1261 2HD2 LEU 161 1HD2 LEU 161 -1.811 14.516 14.516 1262 3HD2 LEU 161 3HD2 LEU 161 -2.653 14.380 14.380 1263 H GLY 162 H GLY 162 -0.711 14.349 14.349 1264 1HA GLY 162 2HA GLY 162 -1.185 11.429 11.429 1265 2HA GLY 162 1HA GLY 162 -0.052 12.148 12.148 1266 H CYS 163 H CYS 163 -1.448 13.941 13.941 1267 HA CYS 163 HA CYS 163 -2.772 12.857 12.857 1268 1HB CYS 163 2HB CYS 163 -2.176 15.353 15.353 1269 2HB CYS 163 1HB CYS 163 -3.935 15.451 15.451 1270 H GLN 164 H GLN 164 -4.755 14.166 14.166 1271 HA GLN 164 HA GLN 164 -7.222 13.225 13.225 1272 1HB GLN 164 2HB GLN 164 -6.437 14.385 14.385 1273 2HB GLN 164 1HB GLN 164 -7.328 12.911 12.911 1274 1HG GLN 164 2HG GLN 164 -9.246 13.661 13.661 1275 2HG GLN 164 1HG GLN 164 -8.357 15.099 15.099 1276 1HE2 GLN 164 2HE2 GLN 164 -10.493 15.197 15.197 1277 2HE2 GLN 164 1HE2 GLN 164 -10.446 13.764 13.764 1278 H LEU 165 H LEU 165 -4.697 11.518 11.518 1279 HA LEU 165 HA LEU 165 -6.336 9.062 9.062 1280 1HB LEU 165 2HB LEU 165 -3.396 9.357 9.357 1281 2HB LEU 165 1HB LEU 165 -4.355 7.914 7.914 1282 HG LEU 165 HG LEU 165 -4.352 8.675 8.675 1283 1HD1 LEU 165 3HD1 LEU 165 -6.757 8.227 8.227 1284 2HD1 LEU 165 2HD1 LEU 165 -6.917 9.928 9.928 1285 3HD1 LEU 165 1HD1 LEU 165 -6.697 9.381 9.381 1286 1HD2 LEU 165 2HD2 LEU 165 -3.318 10.782 10.782 1287 2HD2 LEU 165 1HD2 LEU 165 -4.624 10.945 10.945 1288 3HD2 LEU 165 3HD2 LEU 165 -4.852 11.465 11.465 1289 H LEU 166 H LEU 166 -3.364 10.394 10.394 1290 HA LEU 166 HA LEU 166 -3.128 7.899 7.899 1291 1HB LEU 166 2HB LEU 166 -2.377 10.699 10.699 1292 2HB LEU 166 1HB LEU 166 -2.628 9.703 9.703 1293 HG LEU 166 HG LEU 166 -0.229 9.610 9.610 1294 1HD1 LEU 166 1HD1 LEU 166 -1.188 7.540 7.540 1295 2HD1 LEU 166 3HD1 LEU 166 -1.715 6.962 6.962 1296 3HD1 LEU 166 2HD1 LEU 166 -0.048 7.090 7.090 1297 1HD2 LEU 166 3HD2 LEU 166 -0.646 9.919 9.919 1298 2HD2 LEU 166 2HD2 LEU 166 0.303 8.465 8.465 1299 3HD2 LEU 166 1HD2 LEU 166 -1.398 8.328 8.328 1300 H GLY 167 H GLY 167 -5.477 10.467 10.467 1301 1HA GLY 167 2HA GLY 167 -6.471 9.358 9.358 1302 2HA GLY 167 1HA GLY 167 -7.443 10.296 10.296 1303 H THR 168 H THR 168 -7.967 8.976 8.976 1304 HA THR 168 HA THR 168 -9.683 6.757 6.757 1305 HB THR 168 HB THR 168 -9.167 6.035 6.035 1306 HG1 THR 168 HG1 THR 168 -7.550 7.197 7.197 1307 1HG2 THR 168 3HG2 THR 168 -11.039 7.497 7.497 1308 2HG2 THR 168 2HG2 THR 168 -10.003 8.887 8.887 1309 3HG2 THR 168 1HG2 THR 168 -10.530 7.803 7.803 1310 H TYR 169 H TYR 169 -6.537 6.647 6.647 1311 HA TYR 169 HA TYR 169 -5.957 3.967 3.967 1312 1HB TYR 169 2HB TYR 169 -4.435 5.711 5.711 1313 2HB TYR 169 1HB TYR 169 -4.270 6.251 6.251 1314 HD1 TYR 169 HD2 TYR 169 -3.373 3.443 3.443 1315 HD2 TYR 169 HD1 TYR 169 -2.737 5.326 5.326 1316 HE1 TYR 169 HE2 TYR 169 -1.339 2.102 2.102 1317 HE2 TYR 169 HE1 TYR 169 -0.714 3.967 3.967 1318 HH TYR 169 HH TYR 169 0.892 3.242 3.242 1319 H LYS 170 H LYS 170 -5.658 5.990 5.990 1320 HA LYS 170 HA LYS 170 -4.956 3.712 3.712 1321 1HB LYS 170 2HB LYS 170 -4.875 6.079 6.079 1322 2HB LYS 170 1HB LYS 170 -6.624 6.147 6.147 1323 1HG LYS 170 2HG LYS 170 -6.381 3.838 3.838 1324 2HG LYS 170 1HG LYS 170 -4.801 4.506 4.506 1325 1HD LYS 170 2HD LYS 170 -5.569 6.211 6.211 1326 2HD LYS 170 1HD LYS 170 -7.095 6.360 6.360 1327 1HE LYS 170 2HE LYS 170 -8.179 4.799 4.799 1328 2HE LYS 170 1HE LYS 170 -6.831 3.689 3.689 1329 1HZ LYS 170 1HZ LYS 170 -6.119 5.920 5.920 1330 2HZ LYS 170 3HZ LYS 170 -7.654 5.388 5.388 1331 3HZ LYS 170 2HZ LYS 170 -6.322 4.329 4.329 1332 H GLN 171 H GLN 171 -8.071 5.202 5.202 1333 HA GLN 171 HA GLN 171 -9.653 3.355 3.355 1334 1HB GLN 171 2HB GLN 171 -10.373 4.967 4.967 1335 2HB GLN 171 1HB GLN 171 -11.545 4.326 4.326 1336 1HG GLN 171 2HG GLN 171 -9.443 6.183 6.183 1337 2HG GLN 171 1HG GLN 171 -10.661 6.895 6.895 1338 1HE2 GLN 171 2HE2 GLN 171 -12.713 7.059 7.059 1339 2HE2 GLN 171 1HE2 GLN 171 -11.969 7.963 7.963 1340 H VAL 172 H VAL 172 -8.780 3.091 3.091 1341 HA VAL 172 HA VAL 172 -10.338 0.652 0.652 1342 HB VAL 172 HB VAL 172 -9.853 1.236 1.236 1343 1HG1 VAL 172 2HG1 VAL 172 -10.263 3.762 3.762 1344 2HG1 VAL 172 1HG1 VAL 172 -10.570 3.677 3.677 1345 3HG1 VAL 172 3HG1 VAL 172 -11.518 2.698 2.698 1346 1HG2 VAL 172 3HG2 VAL 172 -7.756 3.130 3.130 1347 2HG2 VAL 172 2HG2 VAL 172 -7.422 1.651 1.651 1348 3HG2 VAL 172 1HG2 VAL 172 -8.235 2.977 2.977 1349 H ILE 173 H ILE 173 -6.844 1.630 1.630 1350 HA ILE 173 HA ILE 173 -5.731 -0.866 -0.866 1351 HB ILE 173 HB ILE 173 -4.770 1.371 1.371 1352 1HG1 ILE 173 2HG1 ILE 173 -4.976 1.773 1.773 1353 2HG1 ILE 173 1HG1 ILE 173 -3.357 1.915 1.915 1354 1HG2 ILE 173 3HG2 ILE 173 -3.262 -1.057 -1.057 1355 2HG2 ILE 173 2HG2 ILE 173 -2.533 0.320 0.320 1356 3HG2 ILE 173 1HG2 ILE 173 -3.681 -0.700 -0.700 1357 1HD1 ILE 173 3HD1 ILE 173 -4.515 -0.519 -0.519 1358 2HD1 ILE 173 2HD1 ILE 173 -3.456 0.690 0.690 1359 3HD1 ILE 173 1HD1 ILE 173 -2.858 -0.362 -0.362 1360 H SER 174 H SER 174 -7.037 0.455 0.455 1361 HA SER 174 HA SER 174 -6.229 -1.643 -1.643 1362 1HB SER 174 2HB SER 174 -8.640 0.197 0.197 1363 2HB SER 174 1HB SER 174 -8.237 -0.963 -0.963 1364 HG SER 174 HG SER 174 -6.912 0.485 0.485 1365 H VAL 175 H VAL 175 -8.358 -1.707 -1.707 1366 HA VAL 175 HA VAL 175 -9.894 -4.057 -4.057 1367 HB VAL 175 HB VAL 175 -10.297 -2.315 -2.315 1368 1HG1 VAL 175 2HG1 VAL 175 -11.986 -4.647 -4.647 1369 2HG1 VAL 175 1HG1 VAL 175 -12.395 -3.565 -3.565 1370 3HG1 VAL 175 3HG1 VAL 175 -11.000 -4.609 -4.609 1371 1HG2 VAL 175 1HG2 VAL 175 -10.863 -1.173 -1.173 1372 2HG2 VAL 175 3HG2 VAL 175 -12.300 -1.527 -1.527 1373 3HG2 VAL 175 2HG2 VAL 175 -11.907 -2.510 -2.510 1374 H VAL 176 H VAL 176 -7.532 -2.938 -2.938 1375 HA VAL 176 HA VAL 176 -7.915 -5.485 -5.485 1376 HB VAL 176 HB VAL 176 -6.421 -4.766 -4.766 1377 1HG1 VAL 176 1HG1 VAL 176 -8.635 -3.558 -3.558 1378 2HG1 VAL 176 3HG1 VAL 176 -7.820 -2.307 -2.307 1379 3HG1 VAL 176 2HG1 VAL 176 -7.417 -2.582 -2.582 1380 1HG2 VAL 176 3HG2 VAL 176 -5.601 -2.683 -2.683 1381 2HG2 VAL 176 2HG2 VAL 176 -4.581 -3.951 -3.951 1382 3HG2 VAL 176 1HG2 VAL 176 -5.116 -2.663 -2.663 1383 H VAL 177 H VAL 177 -5.883 -4.016 -4.016 1384 HA VAL 177 HA VAL 177 -3.682 -5.844 -5.844 1385 HB VAL 177 HB VAL 177 -3.962 -3.414 -3.414 1386 1HG1 VAL 177 2HG1 VAL 177 -6.056 -3.682 -3.682 1387 2HG1 VAL 177 1HG1 VAL 177 -5.343 -4.755 -4.755 1388 3HG1 VAL 177 3HG1 VAL 177 -4.822 -3.090 -3.090 1389 1HG2 VAL 177 1HG2 VAL 177 -2.958 -5.536 -5.536 1390 2HG2 VAL 177 3HG2 VAL 177 -1.962 -4.767 -4.767 1391 3HG2 VAL 177 2HG2 VAL 177 -2.593 -3.838 -3.838 1392 H GLN 178 H GLN 178 -6.834 -5.625 -5.625 1393 HA GLN 178 HA GLN 178 -6.568 -8.229 -8.229 1394 1HB GLN 178 2HB GLN 178 -8.422 -5.845 -5.845 1395 2HB GLN 178 1HB GLN 178 -8.958 -7.417 -7.417 1396 1HG GLN 178 2HG GLN 178 -6.963 -7.577 -7.577 1397 2HG GLN 178 1HG GLN 178 -6.352 -6.055 -6.055 1398 1HE2 GLN 178 2HE2 GLN 178 -8.998 -5.999 -5.999 1399 2HE2 GLN 178 1HE2 GLN 178 -8.334 -7.455 -7.455 1400 H ALA 179 H ALA 179 -6.866 -7.714 -7.714 1401 HA ALA 179 HA ALA 179 -9.449 -9.101 -9.101 1402 1HB ALA 179 2HB ALA 179 -7.649 -7.684 -7.684 1403 2HB ALA 179 1HB ALA 179 -9.146 -8.466 -8.466 1404 3HB ALA 179 3HB ALA 179 -9.174 -7.062 -7.062 1405 H PHE 180 H PHE 180 -6.071 -9.270 -9.270 1406 HA PHE 180 HA PHE 180 -6.562 -12.126 -12.126 1407 1HB PHE 180 2HB PHE 180 -4.692 -11.612 -11.612 1408 2HB PHE 180 1HB PHE 180 -6.313 -10.967 -10.967 1409 HD1 PHE 180 HD2 PHE 180 -3.177 -9.895 -9.895 1410 HD2 PHE 180 HD1 PHE 180 -6.382 -8.823 -8.823 1411 HE1 PHE 180 HE2 PHE 180 -2.445 -7.530 -7.530 1412 HE2 PHE 180 HE1 PHE 180 -5.650 -6.503 -6.503 1413 HZ PHE 180 HZ PHE 180 -3.619 -5.905 -5.905 Start of MODEL 4 1 1H SER 1 2H SER 1 17.544 -6.563 -6.563 2 2H SER 1 1H SER 1 16.920 -5.217 -5.217 3 3H SER 1 3H SER 1 18.448 -5.108 -5.108 4 HA SER 1 HA SER 1 17.399 -4.469 -4.469 5 1HB SER 1 2HB SER 1 14.721 -4.337 -4.337 6 2HB SER 1 1HB SER 1 15.769 -3.241 -3.241 7 HG SER 1 HG SER 1 14.255 -5.255 -5.255 8 HA PRO 2 HA PRO 2 16.947 -9.148 -9.148 9 1HB PRO 2 2HB PRO 2 18.269 -9.487 -9.487 10 2HB PRO 2 1HB PRO 2 19.037 -9.545 -9.545 11 1HG PRO 2 2HG PRO 2 18.762 -7.128 -7.128 12 2HG PRO 2 1HG PRO 2 20.205 -7.700 -7.700 13 1HD PRO 2 2HD PRO 2 18.871 -5.689 -5.689 14 2HD PRO 2 1HD PRO 2 19.347 -7.033 -7.033 15 H LEU 3 H LEU 3 16.519 -7.249 -7.249 16 HA LEU 3 HA LEU 3 14.096 -8.866 -8.866 17 1HB LEU 3 2HB LEU 3 16.246 -8.697 -8.697 18 2HB LEU 3 1HB LEU 3 15.604 -7.129 -7.129 19 HG LEU 3 HG LEU 3 14.859 -8.709 -8.709 20 1HD1 LEU 3 1HD1 LEU 3 13.148 -7.021 -7.021 21 2HD1 LEU 3 3HD1 LEU 3 12.498 -8.148 -8.148 22 3HD1 LEU 3 2HD1 LEU 3 12.403 -8.517 -8.517 23 1HD2 LEU 3 3HD2 LEU 3 15.114 -10.803 -10.803 24 2HD2 LEU 3 2HD2 LEU 3 13.519 -10.721 -10.721 25 3HD2 LEU 3 1HD2 LEU 3 13.718 -10.397 -10.397 26 HA PRO 4 HA PRO 4 12.353 -4.701 -4.701 27 1HB PRO 4 2HB PRO 4 9.965 -5.655 -5.655 28 2HB PRO 4 1HB PRO 4 11.414 -5.543 -5.543 29 1HG PRO 4 2HG PRO 4 10.440 -7.976 -7.976 30 2HG PRO 4 1HG PRO 4 10.815 -7.921 -7.921 31 1HD PRO 4 2HD PRO 4 12.696 -8.779 -8.779 32 2HD PRO 4 1HD PRO 4 13.201 -7.658 -7.658 33 H ILE 5 H ILE 5 10.212 -3.815 -3.815 34 HA ILE 5 HA ILE 5 9.544 -5.073 -5.073 35 HB ILE 5 HB ILE 5 9.184 -2.670 -2.670 36 1HG1 ILE 5 2HG1 ILE 5 10.441 -1.946 -1.946 37 2HG1 ILE 5 1HG1 ILE 5 8.752 -1.704 -1.704 38 1HG2 ILE 5 3HG2 ILE 5 11.374 -3.830 -3.830 39 2HG2 ILE 5 2HG2 ILE 5 11.974 -3.254 -3.254 40 3HG2 ILE 5 1HG2 ILE 5 11.629 -2.119 -2.119 41 1HD1 ILE 5 2HD1 ILE 5 9.417 -0.140 -0.140 42 2HD1 ILE 5 1HD1 ILE 5 11.106 -0.359 -0.359 43 3HD1 ILE 5 3HD1 ILE 5 10.000 0.387 0.387 44 H THR 6 H THR 6 7.296 -5.352 -5.352 45 HA THR 6 HA THR 6 5.398 -3.883 -3.883 46 HB THR 6 HB THR 6 6.418 -6.010 -6.010 47 HG1 THR 6 HG1 THR 6 4.790 -5.305 -5.305 48 1HG2 THR 6 3HG2 THR 6 5.776 -7.699 -7.699 49 2HG2 THR 6 2HG2 THR 6 4.092 -7.266 -7.266 50 3HG2 THR 6 1HG2 THR 6 5.033 -8.017 -8.017 51 HA PRO 7 HA PRO 7 3.164 -4.615 -4.615 52 1HB PRO 7 2HB PRO 7 0.756 -3.598 -3.598 53 2HB PRO 7 1HB PRO 7 2.193 -2.579 -2.579 54 1HG PRO 7 2HG PRO 7 0.692 -4.174 -4.174 55 2HG PRO 7 1HG PRO 7 1.256 -2.506 -2.506 56 1HD PRO 7 2HD PRO 7 2.681 -4.713 -4.713 57 2HD PRO 7 1HD PRO 7 3.438 -3.169 -3.169 58 H VAL 8 H VAL 8 3.549 -7.012 -7.012 59 HA VAL 8 HA VAL 8 0.939 -8.391 -8.391 60 HB VAL 8 HB VAL 8 2.820 -8.855 -8.855 61 1HG1 VAL 8 2HG1 VAL 8 4.711 -8.597 -8.597 62 2HG1 VAL 8 1HG1 VAL 8 4.196 -10.032 -10.032 63 3HG1 VAL 8 3HG1 VAL 8 4.779 -10.167 -10.167 64 1HG2 VAL 8 3HG2 VAL 8 1.066 -10.516 -10.516 65 2HG2 VAL 8 2HG2 VAL 8 2.597 -11.323 -11.323 66 3HG2 VAL 8 1HG2 VAL 8 1.937 -11.241 -11.241 67 H ASN 9 H ASN 9 1.067 -7.282 -7.282 68 HA ASN 9 HA ASN 9 1.831 -9.323 -9.323 69 1HB ASN 9 2HB ASN 9 2.340 -6.828 -6.828 70 2HB ASN 9 1HB ASN 9 0.628 -6.523 -6.523 71 1HD2 ASN 9 2HD2 ASN 9 1.224 -8.976 -8.976 72 2HD2 ASN 9 1HD2 ASN 9 1.008 -9.541 -9.541 73 H ALA 10 H ALA 10 -0.594 -8.367 -8.367 74 HA ALA 10 HA ALA 10 -2.767 -9.634 -9.634 75 1HB ALA 10 3HB ALA 10 -3.041 -7.209 -7.209 76 2HB ALA 10 2HB ALA 10 -4.364 -8.016 -8.016 77 3HB ALA 10 1HB ALA 10 -3.167 -7.166 -7.166 78 H THR 11 H THR 11 -1.388 -11.273 -11.273 79 HA THR 11 HA THR 11 -3.247 -11.953 -11.953 80 HB THR 11 HB THR 11 -0.169 -12.031 -12.031 81 HG1 THR 11 HG1 THR 11 -2.116 -10.102 -10.102 82 1HG2 THR 11 2HG2 THR 11 -1.571 -13.561 -13.561 83 2HG2 THR 11 1HG2 THR 11 -2.413 -12.120 -12.120 84 3HG2 THR 11 3HG2 THR 11 -0.696 -12.299 -12.299 85 H CYS 12 H CYS 12 -2.936 -12.797 -12.797 86 HA CYS 12 HA CYS 12 -1.595 -15.012 -15.012 87 1HB CYS 12 2HB CYS 12 -4.521 -14.393 -14.393 88 2HB CYS 12 1HB CYS 12 -3.784 -15.780 -15.780 89 H ALA 13 H ALA 13 -3.896 -15.091 -15.091 90 HA ALA 13 HA ALA 13 -4.582 -17.798 -17.798 91 1HB ALA 13 2HB ALA 13 -3.749 -15.977 -15.977 92 2HB ALA 13 1HB ALA 13 -4.674 -17.460 -17.460 93 3HB ALA 13 3HB ALA 13 -5.373 -16.086 -16.086 94 H ILE 14 H ILE 14 -1.559 -16.254 -16.254 95 HA ILE 14 HA ILE 14 -0.325 -18.878 -18.878 96 HB ILE 14 HB ILE 14 1.004 -16.129 -16.129 97 1HG1 ILE 14 2HG1 ILE 14 -1.046 -15.787 -15.787 98 2HG1 ILE 14 1HG1 ILE 14 0.219 -16.044 -16.044 99 1HG2 ILE 14 3HG2 ILE 14 1.418 -18.683 -18.683 100 2HG2 ILE 14 2HG2 ILE 14 2.315 -17.191 -17.191 101 3HG2 ILE 14 1HG2 ILE 14 2.461 -18.101 -18.101 102 1HD1 ILE 14 1HD1 ILE 14 -1.678 -18.162 -18.162 103 2HD1 ILE 14 3HD1 ILE 14 -1.834 -17.371 -17.371 104 3HD1 ILE 14 2HD1 ILE 14 -0.472 -18.438 -18.438 105 H ARG 15 H ARG 15 -1.104 -18.542 -18.542 106 HA ARG 15 HA ARG 15 -0.497 -17.836 -17.836 107 1HB ARG 15 2HB ARG 15 -1.956 -19.681 -19.681 108 2HB ARG 15 1HB ARG 15 -0.624 -20.707 -20.707 109 1HG ARG 15 2HG ARG 15 -1.721 -21.331 -21.331 110 2HG ARG 15 1HG ARG 15 -0.005 -21.067 -21.067 111 1HD ARG 15 2HD ARG 15 -0.473 -18.765 -18.765 112 2HD ARG 15 1HD ARG 15 -2.167 -19.033 -19.033 113 HE ARG 15 HE ARG 15 -2.363 -20.432 -20.432 114 1HH1 ARG 15 2HH1 ARG 15 0.914 -19.791 -19.791 115 2HH1 ARG 15 1HH1 ARG 15 1.521 -20.260 -20.260 116 1HH2 ARG 15 1HH2 ARG 15 -1.654 -21.295 -21.295 117 2HH2 ARG 15 2HH2 ARG 15 0.018 -21.202 -21.202 118 H HIS 16 H HIS 16 1.653 -17.434 -17.434 119 HA HIS 16 HA HIS 16 3.881 -18.414 -18.414 120 1HB HIS 16 2HB HIS 16 4.041 -19.203 -19.203 121 2HB HIS 16 1HB HIS 16 4.177 -17.512 -17.512 122 HD1 HIS 16 HD1 HIS 16 6.521 -18.901 -18.901 123 HD2 HIS 16 HD2 HIS 16 6.295 -17.646 -17.646 124 HE1 HIS 16 HE1 HIS 16 8.854 -18.829 -18.829 125 HA PRO 17 HA PRO 17 3.822 -13.857 -13.857 126 1HB PRO 17 2HB PRO 17 2.347 -13.363 -13.363 127 2HB PRO 17 1HB PRO 17 1.517 -13.844 -13.844 128 1HG PRO 17 2HG PRO 17 2.310 -15.682 -15.682 129 2HG PRO 17 1HG PRO 17 0.738 -15.519 -15.519 130 1HD PRO 17 2HD PRO 17 2.597 -17.476 -17.476 131 2HD PRO 17 1HD PRO 17 1.330 -16.774 -16.774 132 H CYS 18 H CYS 18 4.259 -12.914 -12.914 133 HA CYS 18 HA CYS 18 6.839 -14.128 -14.128 134 1HB CYS 18 2HB CYS 18 7.082 -12.243 -12.243 135 2HB CYS 18 1HB CYS 18 6.443 -11.683 -11.683 136 H HIS 19 H HIS 19 5.099 -16.046 -16.046 137 HA HIS 19 HA HIS 19 4.333 -17.630 -17.630 138 1HB HIS 19 2HB HIS 19 6.475 -16.352 -16.352 139 2HB HIS 19 1HB HIS 19 5.762 -17.935 -17.935 140 HD1 HIS 19 HD1 HIS 19 6.173 -19.617 -19.617 141 HD2 HIS 19 HD2 HIS 19 8.553 -16.303 -16.303 142 HE1 HIS 19 HE1 HIS 19 8.062 -20.060 -20.060 143 H GLY 20 H GLY 20 5.016 -15.352 -15.352 144 1HA GLY 20 2HA GLY 20 3.518 -13.809 -13.809 145 2HA GLY 20 1HA GLY 20 2.260 -15.045 -15.045 146 H ASN 21 H ASN 21 3.730 -13.640 -13.640 147 HA ASN 21 HA ASN 21 5.233 -15.670 -15.670 148 1HB ASN 21 2HB ASN 21 3.873 -13.106 -13.106 149 2HB ASN 21 1HB ASN 21 4.804 -14.179 -14.179 150 1HD2 ASN 21 2HD2 ASN 21 7.543 -12.901 -12.901 151 2HD2 ASN 21 1HD2 ASN 21 6.549 -14.233 -14.233 152 H LEU 22 H LEU 22 2.481 -14.259 -14.259 153 HA LEU 22 HA LEU 22 1.056 -16.844 -16.844 154 1HB LEU 22 2HB LEU 22 2.864 -16.161 -16.161 155 2HB LEU 22 1HB LEU 22 1.287 -15.811 -15.811 156 HG LEU 22 HG LEU 22 1.993 -18.073 -18.073 157 1HD1 LEU 22 1HD1 LEU 22 -0.419 -17.793 -17.793 158 2HD1 LEU 22 3HD1 LEU 22 -0.264 -18.213 -18.213 159 3HD1 LEU 22 2HD1 LEU 22 0.079 -19.395 -19.395 160 1HD2 LEU 22 2HD2 LEU 22 3.506 -18.521 -18.521 161 2HD2 LEU 22 1HD2 LEU 22 2.339 -19.810 -19.810 162 3HD2 LEU 22 3HD2 LEU 22 2.136 -18.645 -18.645 163 H MET 23 H MET 23 -1.031 -16.726 -16.726 164 HA MET 23 HA MET 23 -2.570 -14.548 -14.548 165 1HB MET 23 2HB MET 23 -4.440 -15.757 -15.757 166 2HB MET 23 1HB MET 23 -3.546 -16.811 -16.811 167 1HG MET 23 2HG MET 23 -2.180 -16.874 -16.874 168 2HG MET 23 1HG MET 23 -3.871 -16.902 -16.902 169 1HE MET 23 1HE MET 23 -4.041 -18.920 -18.920 170 2HE MET 23 3HE MET 23 -5.315 -19.073 -19.073 171 3HE MET 23 2HE MET 23 -4.297 -20.446 -20.446 172 H ASN 24 H ASN 24 -1.293 -15.347 -15.347 173 HA ASN 24 HA ASN 24 -2.349 -12.775 -12.775 174 1HB ASN 24 2HB ASN 24 -2.207 -13.820 -13.820 175 2HB ASN 24 1HB ASN 24 -3.135 -14.875 -14.875 176 1HD2 ASN 24 2HD2 ASN 24 -0.031 -16.581 -16.581 177 2HD2 ASN 24 1HD2 ASN 24 -0.986 -15.367 -15.367 178 H GLN 25 H GLN 25 0.300 -13.880 -13.880 179 HA GLN 25 HA GLN 25 2.228 -12.759 -12.759 180 1HB GLN 25 2HB GLN 25 3.278 -14.329 -14.329 181 2HB GLN 25 1HB GLN 25 2.490 -13.535 -13.535 182 1HG GLN 25 2HG GLN 25 4.979 -12.981 -12.981 183 2HG GLN 25 1HG GLN 25 3.968 -11.565 -11.565 184 1HE2 GLN 25 2HE2 GLN 25 5.098 -12.360 -12.360 185 2HE2 GLN 25 1HE2 GLN 25 4.036 -13.417 -13.417 186 H ILE 26 H ILE 26 0.633 -11.775 -11.775 187 HA ILE 26 HA ILE 26 1.684 -9.153 -9.153 188 HB ILE 26 HB ILE 26 -0.789 -8.495 -8.495 189 1HG1 ILE 26 2HG1 ILE 26 -1.014 -11.550 -11.550 190 2HG1 ILE 26 1HG1 ILE 26 -1.766 -10.577 -10.577 191 1HG2 ILE 26 3HG2 ILE 26 1.087 -8.808 -8.808 192 2HG2 ILE 26 2HG2 ILE 26 0.827 -10.557 -10.557 193 3HG2 ILE 26 1HG2 ILE 26 -0.367 -9.482 -9.482 194 1HD1 ILE 26 1HD1 ILE 26 -2.208 -10.205 -10.205 195 2HD1 ILE 26 3HD1 ILE 26 -3.271 -11.027 -11.027 196 3HD1 ILE 26 2HD1 ILE 26 -2.955 -9.295 -9.295 197 H LYS 27 H LYS 27 -0.718 -10.441 -10.441 198 HA LYS 27 HA LYS 27 -1.565 -7.958 -7.958 199 1HB LYS 27 2HB LYS 27 -2.595 -10.271 -10.271 200 2HB LYS 27 1HB LYS 27 -1.263 -10.533 -10.533 201 1HG LYS 27 2HG LYS 27 -1.892 -8.246 -8.246 202 2HG LYS 27 1HG LYS 27 -3.329 -8.266 -8.266 203 1HD LYS 27 2HD LYS 27 -3.906 -9.050 -9.050 204 2HD LYS 27 1HD LYS 27 -4.121 -10.327 -10.327 205 1HE LYS 27 2HE LYS 27 -1.888 -11.274 -11.274 206 2HE LYS 27 1HE LYS 27 -1.777 -10.047 -10.047 207 1HZ LYS 27 3HZ LYS 27 -4.294 -11.289 -11.289 208 2HZ LYS 27 2HZ LYS 27 -3.123 -12.507 -12.507 209 3HZ LYS 27 1HZ LYS 27 -2.993 -11.395 -11.395 210 H ASN 28 H ASN 28 0.907 -10.274 -10.274 211 HA ASN 28 HA ASN 28 1.957 -9.048 -9.048 212 1HB ASN 28 2HB ASN 28 2.914 -11.138 -11.138 213 2HB ASN 28 1HB ASN 28 3.687 -10.169 -10.169 214 1HD2 ASN 28 2HD2 ASN 28 6.297 -9.109 -9.109 215 2HD2 ASN 28 1HD2 ASN 28 5.588 -9.117 -9.117 216 H GLN 29 H GLN 29 2.762 -8.241 -8.241 217 HA GLN 29 HA GLN 29 4.410 -5.971 -5.971 218 1HB GLN 29 2HB GLN 29 3.304 -6.956 -6.956 219 2HB GLN 29 1HB GLN 29 3.622 -5.238 -5.238 220 1HG GLN 29 2HG GLN 29 5.587 -6.405 -6.405 221 2HG GLN 29 1HG GLN 29 5.998 -5.677 -5.677 222 1HE2 GLN 29 2HE2 GLN 29 6.623 -9.561 -9.561 223 2HE2 GLN 29 1HE2 GLN 29 6.507 -8.488 -8.488 224 H LEU 30 H LEU 30 1.285 -6.128 -6.128 225 HA LEU 30 HA LEU 30 0.320 -3.613 -3.613 226 1HB LEU 30 2HB LEU 30 -0.836 -5.997 -5.997 227 2HB LEU 30 1HB LEU 30 -1.512 -5.705 -5.705 228 HG LEU 30 HG LEU 30 -3.124 -4.876 -4.876 229 1HD1 LEU 30 3HD1 LEU 30 -2.573 -3.185 -3.185 230 2HD1 LEU 30 2HD1 LEU 30 -1.507 -2.388 -2.388 231 3HD1 LEU 30 1HD1 LEU 30 -3.216 -2.530 -2.530 232 1HD2 LEU 30 1HD2 LEU 30 -0.854 -3.450 -3.450 233 2HD2 LEU 30 3HD2 LEU 30 -1.726 -4.863 -4.863 234 3HD2 LEU 30 2HD2 LEU 30 -2.549 -3.333 -3.333 235 H ALA 31 H ALA 31 0.327 -5.580 -5.580 236 HA ALA 31 HA ALA 31 -0.922 -3.593 -3.593 237 1HB ALA 31 3HB ALA 31 -0.695 -6.022 -6.022 238 2HB ALA 31 2HB ALA 31 1.051 -5.797 -5.797 239 3HB ALA 31 1HB ALA 31 -0.022 -4.931 -4.931 240 H GLN 32 H GLN 32 2.395 -4.474 -4.474 241 HA GLN 32 HA GLN 32 3.696 -2.610 -2.610 242 1HB GLN 32 2HB GLN 32 4.493 -4.400 -4.400 243 2HB GLN 32 1HB GLN 32 4.901 -2.862 -2.862 244 1HG GLN 32 2HG GLN 32 5.835 -3.749 -3.749 245 2HG GLN 32 1HG GLN 32 6.800 -3.922 -3.922 246 1HE2 GLN 32 2HE2 GLN 32 6.458 -0.009 -0.009 247 2HE2 GLN 32 1HE2 GLN 32 5.281 -0.972 -0.972 248 H LEU 33 H LEU 33 2.100 -2.176 -2.176 249 HA LEU 33 HA LEU 33 2.806 0.684 0.684 250 1HB LEU 33 2HB LEU 33 0.971 -1.119 -1.119 251 2HB LEU 33 1HB LEU 33 1.074 0.600 0.600 252 HG LEU 33 HG LEU 33 3.682 0.200 0.200 253 1HD1 LEU 33 3HD1 LEU 33 2.657 -2.603 -2.603 254 2HD1 LEU 33 2HD1 LEU 33 4.298 -2.067 -2.067 255 3HD1 LEU 33 1HD1 LEU 33 3.649 -2.162 -2.162 256 1HD2 LEU 33 3HD2 LEU 33 2.148 0.836 0.836 257 2HD2 LEU 33 2HD2 LEU 33 3.433 -0.228 -0.228 258 3HD2 LEU 33 1HD2 LEU 33 1.824 -0.872 -0.872 259 H ASN 34 H ASN 34 -0.157 -1.191 -1.191 260 HA ASN 34 HA ASN 34 -2.001 0.859 0.859 261 1HB ASN 34 2HB ASN 34 -2.471 -1.569 -1.569 262 2HB ASN 34 1HB ASN 34 -1.527 -1.357 -1.357 263 1HD2 ASN 34 2HD2 ASN 34 -4.373 -0.125 -0.125 264 2HD2 ASN 34 1HD2 ASN 34 -2.955 -1.057 -1.057 265 H GLY 35 H GLY 35 0.433 -0.253 -0.253 266 1HA GLY 35 2HA GLY 35 0.155 1.543 1.543 267 2HA GLY 35 1HA GLY 35 1.726 0.937 0.937 268 H SER 36 H SER 36 1.977 2.059 2.059 269 HA SER 36 HA SER 36 2.657 4.789 4.789 270 1HB SER 36 2HB SER 36 3.712 4.833 4.833 271 2HB SER 36 1HB SER 36 4.104 3.352 3.352 272 HG SER 36 HG SER 36 2.891 3.545 3.545 273 H ALA 37 H ALA 37 0.091 3.259 3.259 274 HA ALA 37 HA ALA 37 -0.940 5.364 5.364 275 1HB ALA 37 1HB ALA 37 -1.936 3.003 3.003 276 2HB ALA 37 3HB ALA 37 -2.610 3.453 3.453 277 3HB ALA 37 2HB ALA 37 -3.127 4.294 4.294 278 H ASN 38 H ASN 38 -1.258 4.644 4.644 279 HA ASN 38 HA ASN 38 -2.768 7.184 7.184 280 1HB ASN 38 2HB ASN 38 -3.221 4.962 4.962 281 2HB ASN 38 1HB ASN 38 -1.730 5.335 5.335 282 1HD2 ASN 38 2HD2 ASN 38 -3.098 8.295 8.295 283 2HD2 ASN 38 1HD2 ASN 38 -1.660 7.720 7.720 284 H ALA 39 H ALA 39 0.440 5.815 5.815 285 HA ALA 39 HA ALA 39 1.282 8.299 8.299 286 1HB ALA 39 1HB ALA 39 2.143 6.077 6.077 287 2HB ALA 39 3HB ALA 39 2.877 5.791 5.791 288 3HB ALA 39 2HB ALA 39 3.489 7.074 7.074 289 H LEU 40 H LEU 40 2.621 6.627 6.627 290 HA LEU 40 HA LEU 40 4.359 8.639 8.639 291 1HB LEU 40 2HB LEU 40 4.407 6.688 6.688 292 2HB LEU 40 1HB LEU 40 2.671 6.623 6.623 293 HG LEU 40 HG LEU 40 4.231 7.264 7.264 294 1HD1 LEU 40 2HD1 LEU 40 1.592 8.685 8.685 295 2HD1 LEU 40 1HD1 LEU 40 2.352 8.682 8.682 296 3HD1 LEU 40 3HD1 LEU 40 1.896 7.172 7.172 297 1HD2 LEU 40 1HD2 LEU 40 3.759 10.005 10.005 298 2HD2 LEU 40 3HD2 LEU 40 5.341 9.299 9.299 299 3HD2 LEU 40 2HD2 LEU 40 4.292 9.632 9.632 300 H PHE 41 H PHE 41 0.965 8.134 8.134 301 HA PHE 41 HA PHE 41 0.170 10.280 10.280 302 1HB PHE 41 2HB PHE 41 -1.517 8.879 8.879 303 2HB PHE 41 1HB PHE 41 -1.158 9.351 9.351 304 HD1 PHE 41 HD1 PHE 41 -1.460 11.780 11.780 305 HD2 PHE 41 HD2 PHE 41 -3.289 10.161 10.161 306 HE1 PHE 41 HE1 PHE 41 -3.225 13.475 13.475 307 HE2 PHE 41 HE2 PHE 41 -5.041 11.871 11.871 308 HZ PHE 41 HZ PHE 41 -4.973 13.537 13.537 309 H ILE 42 H ILE 42 0.666 10.542 10.542 310 HA ILE 42 HA ILE 42 0.279 13.405 13.405 311 HB ILE 42 HB ILE 42 1.219 11.171 11.171 312 1HG1 ILE 42 2HG1 ILE 42 -0.655 11.840 11.840 313 2HG1 ILE 42 1HG1 ILE 42 -0.824 13.334 13.334 314 1HG2 ILE 42 2HG2 ILE 42 1.482 14.076 14.076 315 2HG2 ILE 42 1HG2 ILE 42 1.640 12.679 12.679 316 3HG2 ILE 42 3HG2 ILE 42 2.819 12.955 12.955 317 1HD1 ILE 42 3HD1 ILE 42 -1.319 11.982 11.982 318 2HD1 ILE 42 2HD1 ILE 42 -1.127 10.519 10.519 319 3HD1 ILE 42 1HD1 ILE 42 -2.343 11.693 11.693 320 H SER 43 H SER 43 2.774 11.413 11.413 321 HA SER 43 HA SER 43 5.007 13.072 13.072 322 1HB SER 43 2HB SER 43 5.072 10.478 10.478 323 2HB SER 43 1HB SER 43 6.409 11.121 11.121 324 HG SER 43 HG SER 43 4.115 9.786 9.786 325 H TYR 44 H TYR 44 3.211 12.308 12.308 326 HA TYR 44 HA TYR 44 4.826 13.485 13.485 327 1HB TYR 44 2HB TYR 44 3.783 11.615 11.615 328 2HB TYR 44 1HB TYR 44 2.453 11.687 11.687 329 HD1 TYR 44 HD1 TYR 44 3.719 14.080 14.080 330 HD2 TYR 44 HD2 TYR 44 0.439 11.752 11.752 331 HE1 TYR 44 HE1 TYR 44 2.444 15.096 15.096 332 HE2 TYR 44 HE2 TYR 44 -0.911 12.691 12.691 333 HH TYR 44 HH TYR 44 0.333 15.465 15.465 334 H TYR 45 H TYR 45 1.504 13.886 13.886 335 HA TYR 45 HA TYR 45 1.260 16.378 16.378 336 1HB TYR 45 2HB TYR 45 -1.021 16.465 16.465 337 2HB TYR 45 1HB TYR 45 -0.710 14.758 14.758 338 HD1 TYR 45 HD1 TYR 45 -0.294 17.693 17.693 339 HD2 TYR 45 HD2 TYR 45 -1.698 13.665 13.665 340 HE1 TYR 45 HE1 TYR 45 -0.989 17.741 17.741 341 HE2 TYR 45 HE2 TYR 45 -2.420 13.779 13.779 342 HH TYR 45 HH TYR 45 -2.193 14.917 14.917 343 H THR 46 H THR 46 2.324 15.739 15.739 344 HA THR 46 HA THR 46 1.933 18.322 18.322 345 HB THR 46 HB THR 46 4.075 17.761 17.761 346 HG1 THR 46 HG1 THR 46 5.299 16.249 16.249 347 1HG2 THR 46 2HG2 THR 46 1.966 15.547 15.547 348 2HG2 THR 46 1HG2 THR 46 3.110 15.746 15.746 349 3HG2 THR 46 3HG2 THR 46 1.867 16.948 16.948 350 H ALA 47 H ALA 47 4.591 17.055 17.055 351 HA ALA 47 HA ALA 47 6.245 19.273 19.273 352 1HB ALA 47 1HB ALA 47 5.448 17.452 17.452 353 2HB ALA 47 3HB ALA 47 6.827 18.536 18.536 354 3HB ALA 47 2HB ALA 47 6.752 17.195 17.195 355 H GLN 48 H GLN 48 3.228 18.799 18.799 356 HA GLN 48 HA GLN 48 3.381 20.939 20.939 357 1HB GLN 48 2HB GLN 48 0.928 20.205 20.205 358 2HB GLN 48 1HB GLN 48 0.880 20.987 20.987 359 1HG GLN 48 2HG GLN 48 1.136 18.128 18.128 360 2HG GLN 48 1HG GLN 48 0.546 18.811 18.811 361 1HE2 GLN 48 2HE2 GLN 48 4.204 17.241 17.241 362 2HE2 GLN 48 1HE2 GLN 48 3.070 16.953 16.953 363 H GLY 49 H GLY 49 2.640 21.032 21.032 364 1HA GLY 49 2HA GLY 49 3.366 22.837 22.837 365 2HA GLY 49 1HA GLY 49 2.941 23.983 23.983 366 H GLU 50 H GLU 50 1.042 24.795 24.795 367 HA GLU 50 HA GLU 50 -1.205 23.286 23.286 368 1HB GLU 50 2HB GLU 50 -0.356 26.128 26.128 369 2HB GLU 50 1HB GLU 50 -1.798 25.371 25.371 370 1HG GLU 50 2HG GLU 50 -0.081 23.387 23.387 371 2HG GLU 50 1HG GLU 50 1.070 24.708 24.708 372 HA PRO 51 HA PRO 51 -3.433 24.604 24.604 373 1HB PRO 51 2HB PRO 51 -5.972 25.021 25.021 374 2HB PRO 51 1HB PRO 51 -4.864 26.394 26.394 375 1HG PRO 51 2HG PRO 51 -5.674 24.798 24.798 376 2HG PRO 51 1HG PRO 51 -5.640 26.556 26.556 377 1HD PRO 51 2HD PRO 51 -3.527 25.146 25.146 378 2HD PRO 51 1HD PRO 51 -3.299 26.674 26.674 379 H PHE 52 H PHE 52 -2.542 22.445 22.445 380 HA PHE 52 HA PHE 52 -4.553 20.492 20.492 381 1HB PHE 52 2HB PHE 52 -1.518 20.580 20.580 382 2HB PHE 52 1HB PHE 52 -2.323 19.021 19.021 383 HD1 PHE 52 HD1 PHE 52 -4.189 18.521 18.521 384 HD2 PHE 52 HD2 PHE 52 -1.648 21.918 21.918 385 HE1 PHE 52 HE1 PHE 52 -4.942 18.690 18.690 386 HE2 PHE 52 HE2 PHE 52 -2.423 22.082 22.082 387 HZ PHE 52 HZ PHE 52 -4.059 20.480 20.480 388 HA PRO 53 HA PRO 53 -2.458 18.256 18.256 389 1HB PRO 53 2HB PRO 53 -1.956 20.488 20.488 390 2HB PRO 53 1HB PRO 53 -0.774 19.359 19.359 391 1HG PRO 53 2HG PRO 53 -1.704 22.022 22.022 392 2HG PRO 53 1HG PRO 53 -0.060 21.398 21.398 393 1HD PRO 53 2HD PRO 53 -1.346 21.284 21.284 394 2HD PRO 53 1HD PRO 53 -0.606 19.765 19.765 395 H ASN 54 H ASN 54 -4.340 21.046 21.046 396 HA ASN 54 HA ASN 54 -6.270 19.819 19.819 397 1HB ASN 54 2HB ASN 54 -5.758 22.741 22.741 398 2HB ASN 54 1HB ASN 54 -7.146 22.204 22.204 399 1HD2 ASN 54 2HD2 ASN 54 -5.190 22.113 22.113 400 2HD2 ASN 54 1HD2 ASN 54 -6.722 22.354 22.354 401 H ASN 55 H ASN 55 -6.068 20.678 20.678 402 HA ASN 55 HA ASN 55 -9.057 20.385 20.385 403 1HB ASN 55 2HB ASN 55 -7.241 22.096 22.096 404 2HB ASN 55 1HB ASN 55 -8.977 21.932 21.932 405 1HD2 ASN 55 2HD2 ASN 55 -7.555 24.642 24.642 406 2HD2 ASN 55 1HD2 ASN 55 -6.532 23.767 23.767 407 H LEU 56 H LEU 56 -6.503 18.754 18.754 408 HA LEU 56 HA LEU 56 -6.338 17.812 17.812 409 1HB LEU 56 2HB LEU 56 -5.144 15.904 15.904 410 2HB LEU 56 1HB LEU 56 -4.791 17.206 17.206 411 HG LEU 56 HG LEU 56 -6.877 16.204 16.204 412 1HD1 LEU 56 3HD1 LEU 56 -7.419 14.487 14.487 413 2HD1 LEU 56 2HD1 LEU 56 -5.824 13.839 13.839 414 3HD1 LEU 56 1HD1 LEU 56 -7.022 13.739 13.739 415 1HD2 LEU 56 3HD2 LEU 56 -4.478 16.171 16.171 416 2HD2 LEU 56 2HD2 LEU 56 -5.307 14.683 14.683 417 3HD2 LEU 56 1HD2 LEU 56 -4.261 14.718 14.718 418 H ASP 57 H ASP 57 -8.512 17.156 17.156 419 HA ASP 57 HA ASP 57 -9.812 14.994 14.994 420 1HB ASP 57 2HB ASP 57 -11.854 15.813 15.813 421 2HB ASP 57 1HB ASP 57 -10.360 16.065 16.065 422 H LYS 58 H LYS 58 -10.276 18.300 18.300 423 HA LYS 58 HA LYS 58 -12.368 17.246 17.246 424 1HB LYS 58 2HB LYS 58 -12.647 19.220 19.220 425 2HB LYS 58 1HB LYS 58 -11.790 20.165 20.165 426 1HG LYS 58 2HG LYS 58 -13.494 19.749 19.749 427 2HG LYS 58 1HG LYS 58 -14.312 18.595 18.595 428 1HD LYS 58 2HD LYS 58 -13.920 21.529 21.529 429 2HD LYS 58 1HD LYS 58 -15.324 21.022 21.022 430 1HE LYS 58 2HE LYS 58 -14.512 19.941 19.941 431 2HE LYS 58 1HE LYS 58 -15.722 21.184 21.184 432 1HZ LYS 58 2HZ LYS 58 -16.347 18.969 18.969 433 2HZ LYS 58 1HZ LYS 58 -16.061 18.418 18.418 434 3HZ LYS 58 3HZ LYS 58 -17.244 19.608 19.608 435 H LEU 59 H LEU 59 -9.157 18.082 18.082 436 HA LEU 59 HA LEU 59 -8.925 18.707 18.707 437 1HB LEU 59 2HB LEU 59 -6.877 19.248 19.248 438 2HB LEU 59 1HB LEU 59 -6.965 19.942 19.942 439 HG LEU 59 HG LEU 59 -9.120 20.379 20.379 440 1HD1 LEU 59 3HD1 LEU 59 -6.830 22.151 22.151 441 2HD1 LEU 59 2HD1 LEU 59 -8.118 22.552 22.552 442 3HD1 LEU 59 1HD1 LEU 59 -6.999 21.246 21.246 443 1HD2 LEU 59 2HD2 LEU 59 -8.691 21.725 21.725 444 2HD2 LEU 59 1HD2 LEU 59 -9.962 20.564 20.564 445 3HD2 LEU 59 3HD2 LEU 59 -9.903 22.108 22.108 446 H CYS 60 H CYS 60 -8.518 16.114 16.114 447 HA CYS 60 HA CYS 60 -6.380 14.987 14.987 448 1HB CYS 60 2HB CYS 60 -6.630 14.593 14.593 449 2HB CYS 60 1HB CYS 60 -5.451 13.880 13.880 450 H GLY 61 H GLY 61 -9.243 14.951 14.951 451 1HA GLY 61 2HA GLY 61 -11.170 13.571 13.571 452 2HA GLY 61 1HA GLY 61 -10.316 12.958 12.958 453 HA PRO 62 HA PRO 62 -9.478 9.764 9.764 454 1HB PRO 62 2HB PRO 62 -10.167 10.263 10.263 455 2HB PRO 62 1HB PRO 62 -8.683 10.957 10.957 456 1HG PRO 62 2HG PRO 62 -11.459 12.280 12.280 457 2HG PRO 62 1HG PRO 62 -9.935 12.907 12.907 458 1HD PRO 62 2HD PRO 62 -10.768 13.680 13.680 459 2HD PRO 62 1HD PRO 62 -9.073 13.363 13.363 460 H ASN 63 H ASN 63 -11.453 9.952 9.952 461 HA ASN 63 HA ASN 63 -13.619 8.346 8.346 462 1HB ASN 63 2HB ASN 63 -14.363 10.752 10.752 463 2HB ASN 63 1HB ASN 63 -14.066 10.820 10.820 464 1HD2 ASN 63 2HD2 ASN 63 -17.562 9.416 9.416 465 2HD2 ASN 63 1HD2 ASN 63 -16.473 10.219 10.219 466 H VAL 64 H VAL 64 -14.132 9.406 9.406 467 HA VAL 64 HA VAL 64 -12.826 6.954 6.954 468 HB VAL 64 HB VAL 64 -15.589 8.072 8.072 469 1HG1 VAL 64 1HG1 VAL 64 -14.189 5.574 5.574 470 2HG1 VAL 64 3HG1 VAL 64 -15.838 6.053 6.053 471 3HG1 VAL 64 2HG1 VAL 64 -14.506 7.030 7.030 472 1HG2 VAL 64 3HG2 VAL 64 -14.734 5.486 5.486 473 2HG2 VAL 64 2HG2 VAL 64 -15.497 6.859 6.859 474 3HG2 VAL 64 1HG2 VAL 64 -16.390 5.923 5.923 475 H THR 65 H THR 65 -13.493 10.303 10.303 476 HA THR 65 HA THR 65 -12.907 11.866 11.866 477 HB THR 65 HB THR 65 -10.535 11.123 11.123 478 HG1 THR 65 HG1 THR 65 -9.986 11.916 11.916 479 1HG2 THR 65 2HG2 THR 65 -10.257 8.905 8.905 480 2HG2 THR 65 1HG2 THR 65 -10.104 9.736 9.736 481 3HG2 THR 65 3HG2 THR 65 -8.952 10.014 10.014 482 H ASP 66 H ASP 66 -11.289 10.942 10.942 483 HA ASP 66 HA ASP 66 -13.518 9.966 9.966 484 1HB ASP 66 2HB ASP 66 -12.019 10.898 10.898 485 2HB ASP 66 1HB ASP 66 -12.316 12.129 12.129 486 H PHE 67 H PHE 67 -11.992 8.246 8.246 487 HA PHE 67 HA PHE 67 -10.367 6.685 6.685 488 1HB PHE 67 2HB PHE 67 -9.009 6.380 6.380 489 2HB PHE 67 1HB PHE 67 -10.038 7.295 7.295 490 HD1 PHE 67 HD2 PHE 67 -12.225 5.800 5.800 491 HD2 PHE 67 HD1 PHE 67 -8.345 4.269 4.269 492 HE1 PHE 67 HE2 PHE 67 -12.700 3.854 3.854 493 HE2 PHE 67 HE1 PHE 67 -8.825 2.319 2.319 494 HZ PHE 67 HZ PHE 67 -11.006 2.107 2.107 495 HA PRO 68 HA PRO 68 -13.185 3.396 3.396 496 1HB PRO 68 2HB PRO 68 -11.477 1.247 1.247 497 2HB PRO 68 1HB PRO 68 -11.600 2.294 2.294 498 1HG PRO 68 2HG PRO 68 -9.671 2.563 2.563 499 2HG PRO 68 1HG PRO 68 -9.249 2.546 2.546 500 1HD PRO 68 2HD PRO 68 -9.459 4.853 4.853 501 2HD PRO 68 1HD PRO 68 -10.309 4.746 4.746 502 HA PRO 69 HA PRO 69 -14.269 2.391 2.391 503 1HB PRO 69 2HB PRO 69 -16.654 1.168 1.168 504 2HB PRO 69 1HB PRO 69 -16.518 2.801 2.801 505 1HG PRO 69 2HG PRO 69 -16.360 1.884 1.884 506 2HG PRO 69 1HG PRO 69 -17.269 3.255 3.255 507 1HD PRO 69 2HD PRO 69 -14.934 3.779 3.779 508 2HD PRO 69 1HD PRO 69 -15.183 4.510 4.510 509 H PHE 70 H PHE 70 -13.009 0.756 0.756 510 HA PHE 70 HA PHE 70 -12.760 -1.758 -1.758 511 1HB PHE 70 2HB PHE 70 -10.707 -0.801 -0.801 512 2HB PHE 70 1HB PHE 70 -11.573 -0.871 -0.871 513 HD1 PHE 70 HD1 PHE 70 -12.399 -3.231 -3.231 514 HD2 PHE 70 HD2 PHE 70 -9.322 -2.693 -2.693 515 HE1 PHE 70 HE1 PHE 70 -11.635 -5.505 -5.505 516 HE2 PHE 70 HE2 PHE 70 -8.566 -4.984 -4.984 517 HZ PHE 70 HZ PHE 70 -9.677 -6.369 -6.369 518 H HIS 71 H HIS 71 -14.468 -3.195 -3.195 519 HA HIS 71 HA HIS 71 -15.500 -3.596 -3.596 520 1HB HIS 71 2HB HIS 71 -17.150 -2.089 -2.089 521 2HB HIS 71 1HB HIS 71 -17.105 -3.011 -3.011 522 HD1 HIS 71 HD1 HIS 71 -18.025 -5.520 -5.520 523 HD2 HIS 71 HD2 HIS 71 -19.128 -2.949 -2.949 524 HE1 HIS 71 HE1 HIS 71 -19.930 -6.579 -6.579 525 H ALA 72 H ALA 72 -14.300 -5.534 -5.534 526 HA ALA 72 HA ALA 72 -13.612 -7.464 -7.464 527 1HB ALA 72 3HB ALA 72 -15.286 -8.057 -8.057 528 2HB ALA 72 2HB ALA 72 -14.279 -9.195 -9.195 529 3HB ALA 72 1HB ALA 72 -13.522 -7.825 -7.825 530 H ASN 73 H ASN 73 -14.845 -7.432 -7.432 531 HA ASN 73 HA ASN 73 -17.630 -8.493 -8.493 532 1HB ASN 73 2HB ASN 73 -16.095 -6.980 -6.980 533 2HB ASN 73 1HB ASN 73 -17.673 -7.698 -7.698 534 1HD2 ASN 73 2HD2 ASN 73 -17.689 -4.013 -4.013 535 2HD2 ASN 73 1HD2 ASN 73 -16.314 -4.691 -4.691 536 H GLY 74 H GLY 74 -15.366 -10.158 -10.158 537 1HA GLY 74 2HA GLY 74 -16.119 -12.098 -12.098 538 2HA GLY 74 1HA GLY 74 -14.562 -11.438 -11.438 539 H THR 75 H THR 75 -13.063 -11.648 -11.648 540 HA THR 75 HA THR 75 -12.787 -13.272 -13.272 541 HB THR 75 HB THR 75 -13.835 -15.323 -15.323 542 HG1 THR 75 HG1 THR 75 -12.358 -16.469 -16.469 543 1HG2 THR 75 1HG2 THR 75 -13.011 -14.573 -14.573 544 2HG2 THR 75 3HG2 THR 75 -11.391 -15.002 -15.002 545 3HG2 THR 75 2HG2 THR 75 -12.618 -16.238 -16.238 546 H GLU 76 H GLU 76 -10.388 -14.628 -14.628 547 HA GLU 76 HA GLU 76 -8.443 -12.634 -12.634 548 1HB GLU 76 2HB GLU 76 -8.395 -15.301 -15.301 549 2HB GLU 76 1HB GLU 76 -6.995 -14.242 -14.242 550 1HG GLU 76 2HG GLU 76 -6.912 -14.184 -14.184 551 2HG GLU 76 1HG GLU 76 -8.386 -15.132 -15.132 552 H LYS 77 H LYS 77 -10.217 -13.731 -13.731 553 HA LYS 77 HA LYS 77 -8.931 -12.066 -12.066 554 1HB LYS 77 2HB LYS 77 -10.610 -13.822 -13.822 555 2HB LYS 77 1HB LYS 77 -11.878 -13.088 -13.088 556 1HG LYS 77 2HG LYS 77 -11.792 -11.058 -11.058 557 2HG LYS 77 1HG LYS 77 -10.600 -11.914 -11.914 558 1HD LYS 77 2HD LYS 77 -12.223 -13.739 -13.739 559 2HD LYS 77 1HD LYS 77 -13.422 -12.982 -12.982 560 1HE LYS 77 2HE LYS 77 -13.584 -11.025 -11.025 561 2HE LYS 77 1HE LYS 77 -12.315 -11.716 -11.716 562 1HZ LYS 77 2HZ LYS 77 -14.319 -13.661 -13.661 563 2HZ LYS 77 1HZ LYS 77 -15.104 -12.255 -12.255 564 3HZ LYS 77 3HZ LYS 77 -13.838 -12.901 -12.901 565 H ALA 78 H ALA 78 -11.736 -11.282 -11.282 566 HA ALA 78 HA ALA 78 -11.494 -8.502 -8.502 567 1HB ALA 78 3HB ALA 78 -13.762 -9.359 -9.359 568 2HB ALA 78 2HB ALA 78 -13.335 -9.495 -9.495 569 3HB ALA 78 1HB ALA 78 -13.367 -7.925 -7.925 570 H LYS 79 H LYS 79 -10.786 -10.223 -10.223 571 HA LYS 79 HA LYS 79 -10.259 -8.053 -8.053 572 1HB LYS 79 2HB LYS 79 -8.839 -10.766 -10.766 573 2HB LYS 79 1HB LYS 79 -8.903 -9.716 -9.716 574 1HG LYS 79 2HG LYS 79 -11.447 -10.869 -10.869 575 2HG LYS 79 1HG LYS 79 -10.607 -11.783 -11.783 576 1HD LYS 79 2HD LYS 79 -11.722 -8.968 -8.968 577 2HD LYS 79 1HD LYS 79 -12.642 -10.401 -10.401 578 1HE LYS 79 2HE LYS 79 -9.965 -9.959 -9.959 579 2HE LYS 79 1HE LYS 79 -11.330 -9.078 -9.078 580 1HZ LYS 79 3HZ LYS 79 -11.862 -11.883 -11.883 581 2HZ LYS 79 2HZ LYS 79 -10.420 -11.604 -11.604 582 3HZ LYS 79 1HZ LYS 79 -11.854 -10.904 -10.904 583 H LEU 80 H LEU 80 -8.168 -9.864 -9.864 584 HA LEU 80 HA LEU 80 -5.910 -8.066 -8.066 585 1HB LEU 80 2HB LEU 80 -6.153 -10.208 -10.208 586 2HB LEU 80 1HB LEU 80 -4.723 -9.549 -9.549 587 HG LEU 80 HG LEU 80 -6.753 -11.170 -11.170 588 1HD1 LEU 80 2HD1 LEU 80 -4.007 -12.002 -12.002 589 2HD1 LEU 80 1HD1 LEU 80 -5.040 -12.945 -12.945 590 3HD1 LEU 80 3HD1 LEU 80 -5.546 -12.631 -12.631 591 1HD2 LEU 80 3HD2 LEU 80 -5.477 -9.499 -9.499 592 2HD2 LEU 80 2HD2 LEU 80 -5.022 -11.134 -11.134 593 3HD2 LEU 80 1HD2 LEU 80 -4.004 -10.167 -10.167 594 H VAL 81 H VAL 81 -7.809 -8.884 -8.884 595 HA VAL 81 HA VAL 81 -6.718 -6.922 -6.922 596 HB VAL 81 HB VAL 81 -9.663 -7.748 -7.748 597 1HG1 VAL 81 2HG1 VAL 81 -8.125 -6.217 -6.217 598 2HG1 VAL 81 1HG1 VAL 81 -9.769 -6.806 -6.806 599 3HG1 VAL 81 3HG1 VAL 81 -9.410 -5.555 -5.555 600 1HG2 VAL 81 1HG2 VAL 81 -7.368 -8.571 -8.571 601 2HG2 VAL 81 3HG2 VAL 81 -8.066 -9.607 -9.607 602 3HG2 VAL 81 2HG2 VAL 81 -9.021 -9.134 -9.134 603 H GLU 82 H GLU 82 -9.413 -6.447 -6.447 604 HA GLU 82 HA GLU 82 -9.736 -3.698 -3.698 605 1HB GLU 82 2HB GLU 82 -10.542 -5.088 -5.088 606 2HB GLU 82 1HB GLU 82 -10.955 -3.438 -3.438 607 1HG GLU 82 2HG GLU 82 -11.789 -4.979 -4.979 608 2HG GLU 82 1HG GLU 82 -12.338 -5.820 -5.820 609 H LEU 83 H LEU 83 -7.807 -5.338 -5.338 610 HA LEU 83 HA LEU 83 -6.701 -2.993 -2.993 611 1HB LEU 83 2HB LEU 83 -6.152 -5.038 -5.038 612 2HB LEU 83 1HB LEU 83 -5.749 -5.851 -5.851 613 HG LEU 83 HG LEU 83 -3.721 -4.107 -4.107 614 1HD1 LEU 83 1HD1 LEU 83 -4.550 -2.722 -2.722 615 2HD1 LEU 83 3HD1 LEU 83 -4.381 -4.116 -4.116 616 3HD1 LEU 83 2HD1 LEU 83 -2.967 -3.423 -3.423 617 1HD2 LEU 83 3HD2 LEU 83 -3.848 -6.449 -6.449 618 2HD2 LEU 83 2HD2 LEU 83 -3.498 -6.467 -6.467 619 3HD2 LEU 83 1HD2 LEU 83 -2.418 -5.639 -5.639 620 H TYR 84 H TYR 84 -5.084 -5.008 -5.008 621 HA TYR 84 HA TYR 84 -3.038 -3.792 -3.792 622 1HB TYR 84 2HB TYR 84 -4.098 -5.924 -5.924 623 2HB TYR 84 1HB TYR 84 -5.301 -5.119 -5.119 624 HD1 TYR 84 HD1 TYR 84 -4.377 -3.515 -3.515 625 HD2 TYR 84 HD2 TYR 84 -2.144 -6.557 -6.557 626 HE1 TYR 84 HE1 TYR 84 -2.899 -3.532 -3.532 627 HE2 TYR 84 HE2 TYR 84 -0.638 -6.644 -6.644 628 HH TYR 84 HH TYR 84 0.121 -5.606 -5.606 629 H ARG 85 H ARG 85 -5.936 -3.472 -3.472 630 HA ARG 85 HA ARG 85 -5.759 -1.283 -1.283 631 1HB ARG 85 2HB ARG 85 -7.719 -2.925 -2.925 632 2HB ARG 85 1HB ARG 85 -8.207 -1.915 -1.915 633 1HG ARG 85 2HG ARG 85 -8.102 -1.013 -1.013 634 2HG ARG 85 1HG ARG 85 -9.508 -1.716 -1.716 635 1HD ARG 85 2HD ARG 85 -9.418 0.150 0.150 636 2HD ARG 85 1HD ARG 85 -8.220 0.952 0.952 637 HE ARG 85 HE ARG 85 -11.045 0.266 0.266 638 1HH1 ARG 85 2HH1 ARG 85 -8.136 2.010 2.010 639 2HH1 ARG 85 1HH1 ARG 85 -8.853 2.959 2.959 640 1HH2 ARG 85 1HH2 ARG 85 -11.998 1.551 1.551 641 2HH2 ARG 85 2HH2 ARG 85 -11.042 2.702 2.702 642 H MET 86 H MET 86 -6.849 -1.184 -1.184 643 HA MET 86 HA MET 86 -6.904 1.624 1.624 644 1HB MET 86 2HB MET 86 -7.116 -0.843 -0.843 645 2HB MET 86 1HB MET 86 -6.659 0.563 0.563 646 1HG MET 86 2HG MET 86 -9.143 0.259 0.259 647 2HG MET 86 1HG MET 86 -8.651 1.725 1.725 648 1HE MET 86 1HE MET 86 -10.323 -1.453 -1.453 649 2HE MET 86 3HE MET 86 -11.582 -0.336 -0.336 650 3HE MET 86 2HE MET 86 -10.994 -1.639 -1.639 651 H VAL 87 H VAL 87 -4.298 -0.657 -0.657 652 HA VAL 87 HA VAL 87 -2.653 1.339 1.339 653 HB VAL 87 HB VAL 87 -2.890 -0.978 -0.978 654 1HG1 VAL 87 2HG1 VAL 87 -2.068 -1.974 -1.974 655 2HG1 VAL 87 1HG1 VAL 87 -1.730 -2.889 -2.889 656 3HG1 VAL 87 3HG1 VAL 87 -3.325 -2.369 -2.369 657 1HG2 VAL 87 3HG2 VAL 87 -0.094 -0.331 -0.331 658 2HG2 VAL 87 2HG2 VAL 87 -0.798 0.219 0.219 659 3HG2 VAL 87 1HG2 VAL 87 -0.440 -1.489 -1.489 660 H ALA 88 H ALA 88 -3.416 0.203 0.203 661 HA ALA 88 HA ALA 88 -0.776 0.674 0.674 662 1HB ALA 88 3HB ALA 88 -2.464 -1.035 -1.035 663 2HB ALA 88 2HB ALA 88 -3.507 0.275 0.275 664 3HB ALA 88 1HB ALA 88 -1.918 0.131 0.131 665 H TYR 89 H TYR 89 -4.062 2.129 2.129 666 HA TYR 89 HA TYR 89 -3.049 4.527 4.527 667 1HB TYR 89 2HB TYR 89 -5.257 5.397 5.397 668 2HB TYR 89 1HB TYR 89 -5.668 3.740 3.740 669 HD1 TYR 89 HD1 TYR 89 -5.600 3.106 3.106 670 HD2 TYR 89 HD2 TYR 89 -5.843 7.154 7.154 671 HE1 TYR 89 HE1 TYR 89 -6.404 3.775 3.775 672 HE2 TYR 89 HE2 TYR 89 -6.658 7.794 7.794 673 HH TYR 89 HH TYR 89 -6.183 6.280 6.280 674 H LEU 90 H LEU 90 -3.563 3.636 3.636 675 HA LEU 90 HA LEU 90 -2.689 6.087 6.087 676 1HB LEU 90 2HB LEU 90 -3.734 4.250 4.250 677 2HB LEU 90 1HB LEU 90 -2.307 3.278 3.278 678 HG LEU 90 HG LEU 90 -1.293 5.727 5.727 679 1HD1 LEU 90 1HD1 LEU 90 -3.810 5.079 5.079 680 2HD1 LEU 90 3HD1 LEU 90 -2.523 6.175 6.175 681 3HD1 LEU 90 2HD1 LEU 90 -3.429 6.514 6.514 682 1HD2 LEU 90 2HD2 LEU 90 -1.820 3.108 3.108 683 2HD2 LEU 90 1HD2 LEU 90 -0.388 3.518 3.518 684 3HD2 LEU 90 3HD2 LEU 90 -0.747 4.392 4.392 685 H SER 91 H SER 91 -0.777 3.089 3.089 686 HA SER 91 HA SER 91 1.735 3.984 3.984 687 1HB SER 91 2HB SER 91 1.061 2.496 2.496 688 2HB SER 91 1HB SER 91 2.739 2.855 2.855 689 HG SER 91 HG SER 91 0.926 1.170 1.170 690 H ALA 92 H ALA 92 0.244 4.849 4.849 691 HA ALA 92 HA ALA 92 2.313 6.627 6.627 692 1HB ALA 92 2HB ALA 92 -0.675 6.592 6.592 693 2HB ALA 92 1HB ALA 92 0.562 7.463 7.463 694 3HB ALA 92 3HB ALA 92 0.588 5.708 5.708 695 H SER 93 H SER 93 -0.842 7.270 7.270 696 HA SER 93 HA SER 93 -0.701 10.064 10.064 697 1HB SER 93 2HB SER 93 -2.302 9.957 9.957 698 2HB SER 93 1HB SER 93 -2.583 8.415 8.415 699 HG SER 93 HG SER 93 -1.595 8.935 8.935 700 H LEU 94 H LEU 94 0.330 7.725 7.725 701 HA LEU 94 HA LEU 94 1.694 9.305 9.305 702 1HB LEU 94 2HB LEU 94 2.813 6.668 6.668 703 2HB LEU 94 1HB LEU 94 3.211 7.388 7.388 704 HG LEU 94 HG LEU 94 0.740 5.976 5.976 705 1HD1 LEU 94 3HD1 LEU 94 2.678 5.582 5.582 706 2HD1 LEU 94 2HD1 LEU 94 1.224 4.650 4.650 707 3HD1 LEU 94 1HD1 LEU 94 2.460 4.535 4.535 708 1HD2 LEU 94 2HD2 LEU 94 0.987 7.707 7.707 709 2HD2 LEU 94 1HD2 LEU 94 -0.115 8.001 8.001 710 3HD2 LEU 94 3HD2 LEU 94 -0.336 6.606 6.606 711 H THR 95 H THR 95 3.201 7.668 7.668 712 HA THR 95 HA THR 95 5.716 8.792 8.792 713 HB THR 95 HB THR 95 4.046 8.152 8.152 714 HG1 THR 95 HG1 THR 95 4.309 6.315 6.315 715 1HG2 THR 95 2HG2 THR 95 7.085 8.276 8.276 716 2HG2 THR 95 1HG2 THR 95 6.366 7.869 7.869 717 3HG2 THR 95 3HG2 THR 95 6.265 9.510 9.510 718 H ASN 96 H ASN 96 2.863 10.450 10.450 719 HA ASN 96 HA ASN 96 4.170 12.733 12.733 720 1HB ASN 96 2HB ASN 96 1.501 12.739 12.739 721 2HB ASN 96 1HB ASN 96 2.096 14.029 14.029 722 1HD2 ASN 96 2HD2 ASN 96 0.522 10.724 10.724 723 2HD2 ASN 96 1HD2 ASN 96 0.959 10.693 10.693 724 H ILE 97 H ILE 97 3.062 11.941 11.941 725 HA ILE 97 HA ILE 97 3.636 14.278 14.278 726 HB ILE 97 HB ILE 97 4.179 11.445 11.445 727 1HG1 ILE 97 2HG1 ILE 97 1.572 13.027 13.027 728 2HG1 ILE 97 1HG1 ILE 97 1.824 11.640 11.640 729 1HG2 ILE 97 2HG2 ILE 97 5.065 13.156 13.156 730 2HG2 ILE 97 1HG2 ILE 97 3.479 13.903 13.903 731 3HG2 ILE 97 3HG2 ILE 97 3.736 12.309 12.309 732 1HD1 ILE 97 1HD1 ILE 97 2.220 10.231 10.231 733 2HD1 ILE 97 3HD1 ILE 97 1.785 11.638 11.638 734 3HD1 ILE 97 2HD1 ILE 97 0.607 10.865 10.865 735 H THR 98 H THR 98 5.683 11.432 11.432 736 HA THR 98 HA THR 98 8.068 12.014 12.014 737 HB THR 98 HB THR 98 7.754 10.834 10.834 738 HG1 THR 98 HG1 THR 98 7.404 9.008 9.008 739 1HG2 THR 98 2HG2 THR 98 10.025 10.949 10.949 740 2HG2 THR 98 1HG2 THR 98 9.439 10.032 10.032 741 3HG2 THR 98 3HG2 THR 98 9.439 9.310 9.310 742 H ARG 99 H ARG 99 7.199 12.925 12.925 743 HA ARG 99 HA ARG 99 9.597 14.456 14.456 744 1HB ARG 99 2HB ARG 99 6.921 14.381 14.381 745 2HB ARG 99 1HB ARG 99 8.426 15.000 15.000 746 1HG ARG 99 2HG ARG 99 9.434 12.749 12.749 747 2HG ARG 99 1HG ARG 99 8.071 12.107 12.107 748 1HD ARG 99 2HD ARG 99 7.717 11.406 11.406 749 2HD ARG 99 1HD ARG 99 6.579 12.705 12.705 750 HE ARG 99 HE ARG 99 8.220 14.240 14.240 751 1HH1 ARG 99 2HH1 ARG 99 8.277 10.842 10.842 752 2HH1 ARG 99 1HH1 ARG 99 9.002 10.986 10.986 753 1HH2 ARG 99 1HH2 ARG 99 9.180 14.499 14.499 754 2HH2 ARG 99 2HH2 ARG 99 9.558 13.140 13.140 755 H ASP 100 H ASP 100 6.293 15.286 15.286 756 HA ASP 100 HA ASP 100 6.782 18.160 18.160 757 1HB ASP 100 2HB ASP 100 4.506 17.078 17.078 758 2HB ASP 100 1HB ASP 100 4.556 16.582 16.582 759 H GLN 101 H GLN 101 5.911 16.209 16.209 760 HA GLN 101 HA GLN 101 6.741 17.934 17.934 761 1HB GLN 101 2HB GLN 101 6.551 14.947 14.947 762 2HB GLN 101 1HB GLN 101 7.325 15.612 15.612 763 1HG GLN 101 2HG GLN 101 4.832 15.400 15.400 764 2HG GLN 101 1HG GLN 101 5.340 17.095 17.095 765 1HE2 GLN 101 2HE2 GLN 101 3.135 17.750 17.750 766 2HE2 GLN 101 1HE2 GLN 101 3.724 18.299 18.299 767 H LYS 102 H LYS 102 9.023 15.625 15.625 768 HA LYS 102 HA LYS 102 11.129 16.333 16.333 769 1HB LYS 102 2HB LYS 102 12.697 15.351 15.351 770 2HB LYS 102 1HB LYS 102 11.201 14.455 14.455 771 1HG LYS 102 2HG LYS 102 10.669 15.664 15.664 772 2HG LYS 102 1HG LYS 102 12.045 16.712 16.712 773 1HD LYS 102 2HD LYS 102 12.472 14.895 14.895 774 2HD LYS 102 1HD LYS 102 13.652 15.028 15.028 775 1HE LYS 102 2HE LYS 102 12.560 13.142 13.142 776 2HE LYS 102 1HE LYS 102 11.348 13.008 13.008 777 1HZ LYS 102 1HZ LYS 102 13.938 12.897 12.897 778 2HZ LYS 102 3HZ LYS 102 13.880 11.810 11.810 779 3HZ LYS 102 2HZ LYS 102 12.727 11.700 11.700 780 H VAL 103 H VAL 103 9.770 17.957 17.957 781 HA VAL 103 HA VAL 103 12.049 19.883 19.883 782 HB VAL 103 HB VAL 103 9.400 19.815 19.815 783 1HG1 VAL 103 2HG1 VAL 103 11.872 21.555 21.555 784 2HG1 VAL 103 1HG1 VAL 103 10.448 21.505 21.505 785 3HG1 VAL 103 3HG1 VAL 103 10.324 22.130 22.130 786 1HG2 VAL 103 3HG2 VAL 103 12.226 19.060 19.060 787 2HG2 VAL 103 2HG2 VAL 103 10.905 17.947 17.947 788 3HG2 VAL 103 1HG2 VAL 103 10.794 19.062 19.062 789 H LEU 104 H LEU 104 8.701 19.745 19.745 790 HA LEU 104 HA LEU 104 8.341 22.462 22.462 791 1HB LEU 104 2HB LEU 104 7.043 19.886 19.886 792 2HB LEU 104 1HB LEU 104 6.683 21.288 21.288 793 HG LEU 104 HG LEU 104 5.702 22.478 22.478 794 1HD1 LEU 104 1HD1 LEU 104 7.361 21.768 21.768 795 2HD1 LEU 104 3HD1 LEU 104 6.604 20.190 20.190 796 3HD1 LEU 104 2HD1 LEU 104 5.697 21.586 21.586 797 1HD2 LEU 104 2HD2 LEU 104 4.335 20.654 20.654 798 2HD2 LEU 104 1HD2 LEU 104 3.916 20.863 20.863 799 3HD2 LEU 104 3HD2 LEU 104 4.933 19.532 19.532 800 H ASN 105 H ASN 105 9.332 19.797 19.797 801 HA ASN 105 HA ASN 105 10.410 21.898 21.898 802 1HB ASN 105 2HB ASN 105 8.343 19.882 19.882 803 2HB ASN 105 1HB ASN 105 9.418 20.189 20.189 804 1HD2 ASN 105 2HD2 ASN 105 7.850 23.298 23.298 805 2HD2 ASN 105 1HD2 ASN 105 8.993 22.169 22.169 806 HA PRO 106 HA PRO 106 14.228 19.824 19.824 807 1HB PRO 106 2HB PRO 106 15.351 20.907 20.907 808 2HB PRO 106 1HB PRO 106 15.165 21.811 21.811 809 1HG PRO 106 2HG PRO 106 13.226 21.741 21.741 810 2HG PRO 106 1HG PRO 106 13.930 23.160 23.160 811 1HD PRO 106 2HD PRO 106 11.495 22.408 22.408 812 2HD PRO 106 1HD PRO 106 12.654 22.800 22.800 813 H SER 107 H SER 107 12.066 19.535 19.535 814 HA SER 107 HA SER 107 13.473 17.147 17.147 815 1HB SER 107 2HB SER 107 12.610 18.974 18.974 816 2HB SER 107 1HB SER 107 10.962 18.537 18.537 817 HG SER 107 HG SER 107 11.264 16.998 16.998 818 H ALA 108 H ALA 108 10.763 18.238 18.238 819 HA ALA 108 HA ALA 108 9.040 16.018 16.018 820 1HB ALA 108 3HB ALA 108 9.607 17.696 17.696 821 2HB ALA 108 2HB ALA 108 8.249 16.613 16.613 822 3HB ALA 108 1HB ALA 108 8.377 18.023 18.023 823 H VAL 109 H VAL 109 11.866 16.738 16.738 824 HA VAL 109 HA VAL 109 12.075 14.654 14.654 825 HB VAL 109 HB VAL 109 14.540 14.762 14.762 826 1HG1 VAL 109 2HG1 VAL 109 13.402 17.501 17.501 827 2HG1 VAL 109 1HG1 VAL 109 14.990 17.212 17.212 828 3HG1 VAL 109 3HG1 VAL 109 13.570 16.865 16.865 829 1HG2 VAL 109 1HG2 VAL 109 14.081 15.936 15.936 830 2HG2 VAL 109 3HG2 VAL 109 14.772 14.363 14.363 831 3HG2 VAL 109 2HG2 VAL 109 15.644 15.809 15.809 832 H SER 110 H SER 110 12.519 14.569 14.569 833 HA SER 110 HA SER 110 13.228 11.786 11.786 834 1HB SER 110 2HB SER 110 11.864 13.229 13.229 835 2HB SER 110 1HB SER 110 13.317 12.230 12.230 836 HG SER 110 HG SER 110 13.039 14.876 14.876 837 H LEU 111 H LEU 111 10.207 13.532 13.532 838 HA LEU 111 HA LEU 111 8.568 11.313 11.313 839 1HB LEU 111 2HB LEU 111 6.639 12.579 12.579 840 2HB LEU 111 1HB LEU 111 7.789 13.839 13.839 841 HG LEU 111 HG LEU 111 8.039 13.876 13.876 842 1HD1 LEU 111 2HD1 LEU 111 6.573 11.895 11.895 843 2HD1 LEU 111 1HD1 LEU 111 5.244 12.729 12.729 844 3HD1 LEU 111 3HD1 LEU 111 6.020 13.370 13.370 845 1HD2 LEU 111 1HD2 LEU 111 7.219 15.754 15.754 846 2HD2 LEU 111 3HD2 LEU 111 6.351 15.518 15.518 847 3HD2 LEU 111 2HD2 LEU 111 5.641 15.082 15.082 848 H HIS 112 H HIS 112 9.267 12.489 12.489 849 HA HIS 112 HA HIS 112 7.656 10.503 10.503 850 1HB HIS 112 2HB HIS 112 8.236 11.618 11.618 851 2HB HIS 112 1HB HIS 112 8.813 12.824 12.824 852 HD1 HIS 112 HD1 HIS 112 10.592 9.702 9.702 853 HD2 HIS 112 HD2 HIS 112 10.949 13.733 13.733 854 HE1 HIS 112 HE1 HIS 112 12.803 10.261 10.261 855 H SER 113 H SER 113 11.086 10.535 10.535 856 HA SER 113 HA SER 113 11.988 8.258 8.258 857 1HB SER 113 2HB SER 113 13.275 9.808 9.808 858 2HB SER 113 1HB SER 113 12.589 8.838 8.838 859 HG SER 113 HG SER 113 14.228 7.529 7.529 860 H LYS 114 H LYS 114 10.278 8.448 8.448 861 HA LYS 114 HA LYS 114 9.864 5.666 5.666 862 1HB LYS 114 2HB LYS 114 7.728 7.812 7.812 863 2HB LYS 114 1HB LYS 114 7.946 6.290 6.290 864 1HG LYS 114 2HG LYS 114 10.126 7.090 7.090 865 2HG LYS 114 1HG LYS 114 9.956 8.588 8.588 866 1HD LYS 114 2HD LYS 114 9.240 9.168 9.168 867 2HD LYS 114 1HD LYS 114 7.794 9.057 9.057 868 1HE LYS 114 2HE LYS 114 7.395 8.010 8.010 869 2HE LYS 114 1HE LYS 114 7.328 6.773 6.773 870 1HZ LYS 114 2HZ LYS 114 9.982 6.987 6.987 871 2HZ LYS 114 1HZ LYS 114 9.049 6.912 6.912 872 3HZ LYS 114 3HZ LYS 114 8.953 5.672 5.672 873 H LEU 115 H LEU 115 7.898 7.983 7.983 874 HA LEU 115 HA LEU 115 5.817 6.295 6.295 875 1HB LEU 115 2HB LEU 115 6.015 8.884 8.884 876 2HB LEU 115 1HB LEU 115 7.024 8.594 8.594 877 HG LEU 115 HG LEU 115 5.169 7.228 7.228 878 1HD1 LEU 115 1HD1 LEU 115 3.874 6.832 6.832 879 2HD1 LEU 115 3HD1 LEU 115 3.607 8.569 8.569 880 3HD1 LEU 115 2HD1 LEU 115 2.909 7.644 7.644 881 1HD2 LEU 115 2HD2 LEU 115 4.655 10.164 10.164 882 2HD2 LEU 115 1HD2 LEU 115 5.653 9.593 9.593 883 3HD2 LEU 115 3HD2 LEU 115 3.934 9.295 9.295 884 H ASN 116 H ASN 116 8.979 6.952 6.952 885 HA ASN 116 HA ASN 116 8.582 5.555 5.555 886 1HB ASN 116 2HB ASN 116 11.082 5.535 5.535 887 2HB ASN 116 1HB ASN 116 11.003 4.862 4.862 888 1HD2 ASN 116 2HD2 ASN 116 11.337 7.924 7.924 889 2HD2 ASN 116 1HD2 ASN 116 11.256 6.226 6.226 890 H ALA 117 H ALA 117 9.394 4.401 4.401 891 HA ALA 117 HA ALA 117 9.700 1.739 1.739 892 1HB ALA 117 1HB ALA 117 8.645 2.558 2.558 893 2HB ALA 117 3HB ALA 117 9.198 0.950 0.950 894 3HB ALA 117 2HB ALA 117 10.345 2.279 2.279 895 H THR 118 H THR 118 6.892 3.219 3.219 896 HA THR 118 HA THR 118 5.074 1.118 1.118 897 HB THR 118 HB THR 118 3.281 3.218 3.218 898 HG1 THR 118 HG1 THR 118 5.420 4.299 4.299 899 1HG2 THR 118 3HG2 THR 118 4.887 3.211 3.211 900 2HG2 THR 118 2HG2 THR 118 3.320 3.973 3.973 901 3HG2 THR 118 1HG2 THR 118 3.456 2.213 2.213 902 H ILE 119 H ILE 119 5.977 3.400 3.400 903 HA ILE 119 HA ILE 119 4.112 2.467 2.467 904 HB ILE 119 HB ILE 119 6.775 3.946 3.946 905 1HG1 ILE 119 2HG1 ILE 119 3.955 5.029 5.029 906 2HG1 ILE 119 1HG1 ILE 119 4.926 5.065 5.065 907 1HG2 ILE 119 1HG2 ILE 119 4.480 3.620 3.620 908 2HG2 ILE 119 3HG2 ILE 119 5.890 4.634 4.634 909 3HG2 ILE 119 2HG2 ILE 119 6.062 2.900 2.900 910 1HD1 ILE 119 2HD1 ILE 119 6.644 6.427 6.427 911 2HD1 ILE 119 1HD1 ILE 119 5.534 6.457 6.457 912 3HD1 ILE 119 3HD1 ILE 119 5.099 7.238 7.238 913 H ASP 120 H ASP 120 7.637 1.914 1.914 914 HA ASP 120 HA ASP 120 7.608 0.038 0.038 915 1HB ASP 120 2HB ASP 120 9.676 1.245 1.245 916 2HB ASP 120 1HB ASP 120 9.674 -0.090 -0.090 917 H VAL 121 H VAL 121 7.463 -0.548 -0.548 918 HA VAL 121 HA VAL 121 7.562 -3.398 -3.398 919 HB VAL 121 HB VAL 121 6.654 -3.233 -3.233 920 1HG1 VAL 121 2HG1 VAL 121 8.481 -0.890 -0.890 921 2HG1 VAL 121 1HG1 VAL 121 8.118 -1.576 -1.576 922 3HG1 VAL 121 3HG1 VAL 121 8.935 -2.533 -2.533 923 1HG2 VAL 121 1HG2 VAL 121 5.720 -0.503 -0.503 924 2HG2 VAL 121 3HG2 VAL 121 4.720 -1.882 -1.882 925 3HG2 VAL 121 2HG2 VAL 121 5.741 -1.138 -1.138 926 H MET 122 H MET 122 4.953 -1.050 -1.050 927 HA MET 122 HA MET 122 2.836 -2.965 -2.965 928 1HB MET 122 2HB MET 122 3.138 -0.014 -0.014 929 2HB MET 122 1HB MET 122 1.737 -0.904 -0.904 930 1HG MET 122 2HG MET 122 1.283 -1.632 -1.632 931 2HG MET 122 1HG MET 122 2.759 -0.899 -0.899 932 1HE MET 122 1HE MET 122 -0.205 -1.031 -1.031 933 2HE MET 122 3HE MET 122 -0.189 0.441 0.441 934 3HE MET 122 2HE MET 122 -1.243 0.298 0.298 935 H ARG 123 H ARG 123 4.955 -1.184 -1.184 936 HA ARG 123 HA ARG 123 3.819 -2.035 -2.035 937 1HB ARG 123 2HB ARG 123 5.644 -0.329 -0.329 938 2HB ARG 123 1HB ARG 123 6.734 -1.500 -1.500 939 1HG ARG 123 2HG ARG 123 5.693 -1.964 -1.964 940 2HG ARG 123 1HG ARG 123 6.983 -0.803 -0.803 941 1HD ARG 123 2HD ARG 123 7.125 -3.722 -3.722 942 2HD ARG 123 1HD ARG 123 7.767 -3.042 -3.042 943 HE ARG 123 HE ARG 123 8.735 -1.667 -1.667 944 1HH1 ARG 123 2HH1 ARG 123 9.216 -4.165 -4.165 945 2HH1 ARG 123 1HH1 ARG 123 10.912 -4.285 -4.285 946 1HH2 ARG 123 1HH2 ARG 123 10.885 -1.768 -1.768 947 2HH2 ARG 123 2HH2 ARG 123 11.919 -2.826 -2.826 948 H GLY 124 H GLY 124 6.211 -3.605 -3.605 949 1HA GLY 124 2HA GLY 124 6.293 -6.033 -6.033 950 2HA GLY 124 1HA GLY 124 6.731 -5.918 -5.918 951 H LEU 125 H LEU 125 4.332 -4.963 -4.963 952 HA LEU 125 HA LEU 125 2.837 -7.335 -7.335 953 1HB LEU 125 2HB LEU 125 2.995 -4.938 -4.938 954 2HB LEU 125 1HB LEU 125 1.671 -4.497 -4.497 955 HG LEU 125 HG LEU 125 1.610 -6.702 -6.702 956 1HD1 LEU 125 1HD1 LEU 125 1.726 -4.367 -4.367 957 2HD1 LEU 125 3HD1 LEU 125 0.326 -3.915 -3.915 958 3HD1 LEU 125 2HD1 LEU 125 0.192 -5.126 -5.126 959 1HD2 LEU 125 3HD2 LEU 125 -0.551 -5.446 -5.446 960 2HD2 LEU 125 2HD2 LEU 125 0.106 -7.054 -7.054 961 3HD2 LEU 125 1HD2 LEU 125 -0.780 -6.703 -6.703 962 H LEU 126 H LEU 126 1.830 -4.646 -4.646 963 HA LEU 126 HA LEU 126 -0.344 -5.955 -5.955 964 1HB LEU 126 2HB LEU 126 1.695 -4.057 -4.057 965 2HB LEU 126 1HB LEU 126 0.455 -4.695 -4.695 966 HG LEU 126 HG LEU 126 -1.148 -3.909 -3.909 967 1HD1 LEU 126 3HD1 LEU 126 1.228 -2.132 -2.132 968 2HD1 LEU 126 2HD1 LEU 126 -0.348 -1.702 -1.702 969 3HD1 LEU 126 1HD1 LEU 126 0.394 -3.111 -3.111 970 1HD2 LEU 126 2HD2 LEU 126 0.070 -1.956 -1.956 971 2HD2 LEU 126 1HD2 LEU 126 -1.306 -3.029 -3.029 972 3HD2 LEU 126 3HD2 LEU 126 -1.394 -1.812 -1.812 973 H SER 127 H SER 127 2.994 -5.978 -5.978 974 HA SER 127 HA SER 127 2.868 -7.771 -7.771 975 1HB SER 127 2HB SER 127 4.951 -6.622 -6.622 976 2HB SER 127 1HB SER 127 5.057 -8.133 -8.133 977 HG SER 127 HG SER 127 5.241 -9.269 -9.269 978 H ASN 128 H ASN 128 3.210 -8.633 -8.633 979 HA ASN 128 HA ASN 128 2.904 -11.459 -11.459 980 1HB ASN 128 2HB ASN 128 2.451 -9.607 -9.607 981 2HB ASN 128 1HB ASN 128 2.173 -11.335 -11.335 982 1HD2 ASN 128 2HD2 ASN 128 5.983 -10.035 -10.035 983 2HD2 ASN 128 1HD2 ASN 128 4.701 -9.052 -9.052 984 H VAL 129 H VAL 129 0.549 -8.885 -8.885 985 HA VAL 129 HA VAL 129 -1.587 -10.805 -10.805 986 HB VAL 129 HB VAL 129 -1.423 -7.875 -7.875 987 1HG1 VAL 129 1HG1 VAL 129 -3.965 -9.589 -9.589 988 2HG1 VAL 129 3HG1 VAL 129 -4.009 -7.842 -7.842 989 3HG1 VAL 129 2HG1 VAL 129 -3.371 -8.592 -8.592 990 1HG2 VAL 129 2HG2 VAL 129 -2.673 -9.581 -9.581 991 2HG2 VAL 129 1HG2 VAL 129 -1.154 -8.718 -8.718 992 3HG2 VAL 129 3HG2 VAL 129 -2.657 -7.825 -7.825 993 H LEU 130 H LEU 130 -0.840 -8.930 -8.930 994 HA LEU 130 HA LEU 130 -2.796 -10.471 -10.471 995 1HB LEU 130 2HB LEU 130 -0.796 -8.479 -8.479 996 2HB LEU 130 1HB LEU 130 -0.660 -9.874 -9.874 997 HG LEU 130 HG LEU 130 -2.235 -8.232 -8.232 998 1HD1 LEU 130 1HD1 LEU 130 -2.539 -10.647 -10.647 999 2HD1 LEU 130 3HD1 LEU 130 -3.599 -10.847 -10.847 1000 3HD1 LEU 130 2HD1 LEU 130 -4.080 -9.811 -9.811 1001 1HD2 LEU 130 1HD2 LEU 130 -3.867 -8.787 -8.787 1002 2HD2 LEU 130 3HD2 LEU 130 -3.180 -7.267 -7.267 1003 3HD2 LEU 130 2HD2 LEU 130 -4.489 -7.988 -7.988 1004 H CYS 131 H CYS 131 0.545 -11.138 -11.138 1005 HA CYS 131 HA CYS 131 0.677 -13.476 -13.476 1006 1HB CYS 131 2HB CYS 131 2.340 -12.715 -12.715 1007 2HB CYS 131 1HB CYS 131 2.782 -13.951 -13.951 1008 H ARG 132 H ARG 132 -0.459 -12.892 -12.892 1009 HA ARG 132 HA ARG 132 -0.581 -15.763 -15.763 1010 1HB ARG 132 2HB ARG 132 -0.414 -13.962 -13.962 1011 2HB ARG 132 1HB ARG 132 -2.021 -13.442 -13.442 1012 1HG ARG 132 2HG ARG 132 -2.526 -14.843 -14.843 1013 2HG ARG 132 1HG ARG 132 -2.676 -15.993 -15.993 1014 1HD ARG 132 2HD ARG 132 -0.277 -15.623 -15.623 1015 2HD ARG 132 1HD ARG 132 -1.356 -17.019 -17.019 1016 HE ARG 132 HE ARG 132 -0.389 -16.958 -16.958 1017 1HH1 ARG 132 2HH1 ARG 132 1.192 -16.955 -16.955 1018 2HH1 ARG 132 1HH1 ARG 132 2.657 -17.609 -17.609 1019 1HH2 ARG 132 1HH2 ARG 132 1.574 -17.876 -17.876 1020 2HH2 ARG 132 2HH2 ARG 132 2.795 -18.247 -18.247 1021 H LEU 133 H LEU 133 -2.794 -13.195 -13.195 1022 HA LEU 133 HA LEU 133 -5.255 -14.443 -14.443 1023 1HB LEU 133 2HB LEU 133 -3.928 -12.328 -12.328 1024 2HB LEU 133 1HB LEU 133 -5.323 -13.030 -13.030 1025 HG LEU 133 HG LEU 133 -6.849 -12.012 -12.012 1026 1HD1 LEU 133 1HD1 LEU 133 -6.050 -13.102 -13.102 1027 2HD1 LEU 133 3HD1 LEU 133 -4.801 -11.882 -11.882 1028 3HD1 LEU 133 2HD1 LEU 133 -6.514 -11.446 -11.446 1029 1HD2 LEU 133 1HD2 LEU 133 -4.414 -10.266 -10.266 1030 2HD2 LEU 133 3HD2 LEU 133 -5.594 -10.168 -10.168 1031 3HD2 LEU 133 2HD2 LEU 133 -6.046 -9.774 -9.774 1032 H CYS 134 H CYS 134 -2.937 -14.529 -14.529 1033 HA CYS 134 HA CYS 134 -4.091 -16.102 -16.102 1034 1HB CYS 134 2HB CYS 134 -1.286 -16.495 -16.495 1035 2HB CYS 134 1HB CYS 134 -1.842 -16.928 -16.928 1036 H ASN 135 H ASN 135 -3.139 -17.179 -17.179 1037 HA ASN 135 HA ASN 135 -3.066 -19.983 -19.983 1038 1HB ASN 135 2HB ASN 135 -2.564 -18.619 -18.619 1039 2HB ASN 135 1HB ASN 135 -4.306 -18.600 -18.600 1040 1HD2 ASN 135 2HD2 ASN 135 -4.031 -21.774 -21.774 1041 2HD2 ASN 135 1HD2 ASN 135 -4.659 -20.184 -20.184 1042 H LYS 136 H LYS 136 -5.914 -17.911 -17.911 1043 HA LYS 136 HA LYS 136 -7.499 -20.126 -20.126 1044 1HB LYS 136 2HB LYS 136 -8.209 -18.636 -18.636 1045 2HB LYS 136 1HB LYS 136 -9.404 -19.538 -19.538 1046 1HG LYS 136 2HG LYS 136 -7.668 -21.566 -21.566 1047 2HG LYS 136 1HG LYS 136 -7.064 -20.564 -20.564 1048 1HD LYS 136 2HD LYS 136 -9.286 -20.378 -20.378 1049 2HD LYS 136 1HD LYS 136 -10.049 -21.167 -21.167 1050 1HE LYS 136 2HE LYS 136 -9.965 -22.700 -22.700 1051 2HE LYS 136 1HE LYS 136 -8.970 -23.312 -23.312 1052 1HZ LYS 136 3HZ LYS 136 -7.369 -21.677 -21.677 1053 2HZ LYS 136 2HZ LYS 136 -8.207 -22.710 -22.710 1054 3HZ LYS 136 1HZ LYS 136 -7.256 -23.353 -23.353 1055 H TYR 137 H TYR 137 -6.654 -17.162 -17.162 1056 HA TYR 137 HA TYR 137 -9.211 -16.313 -16.313 1057 1HB TYR 137 2HB TYR 137 -7.178 -14.407 -14.407 1058 2HB TYR 137 1HB TYR 137 -8.844 -14.038 -14.038 1059 HD1 TYR 137 HD2 TYR 137 -10.262 -16.429 -16.429 1060 HD2 TYR 137 HD1 TYR 137 -7.129 -13.987 -13.987 1061 HE1 TYR 137 HE2 TYR 137 -10.872 -16.993 -16.993 1062 HE2 TYR 137 HE1 TYR 137 -7.725 -14.547 -14.547 1063 HH TYR 137 HH TYR 137 -9.107 -16.830 -16.830 1064 H ARG 138 H ARG 138 -7.588 -17.787 -17.787 1065 HA ARG 138 HA ARG 138 -5.898 -15.808 -15.808 1066 1HB ARG 138 2HB ARG 138 -4.721 -17.684 -17.684 1067 2HB ARG 138 1HB ARG 138 -4.795 -17.955 -17.955 1068 1HG ARG 138 2HG ARG 138 -6.875 -19.485 -19.485 1069 2HG ARG 138 1HG ARG 138 -6.399 -19.313 -19.313 1070 1HD ARG 138 2HD ARG 138 -5.321 -21.218 -21.218 1071 2HD ARG 138 1HD ARG 138 -4.029 -20.024 -20.024 1072 HE ARG 138 HE ARG 138 -4.781 -19.817 -19.817 1073 1HH1 ARG 138 2HH1 ARG 138 -4.831 -22.745 -22.745 1074 2HH1 ARG 138 1HH1 ARG 138 -4.761 -23.785 -23.785 1075 1HH2 ARG 138 1HH2 ARG 138 -4.687 -21.108 -21.108 1076 2HH2 ARG 138 2HH2 ARG 138 -4.617 -22.812 -22.812 1077 H VAL 139 H VAL 139 -8.421 -15.407 -15.407 1078 HA VAL 139 HA VAL 139 -9.680 -16.778 -16.778 1079 HB VAL 139 HB VAL 139 -10.375 -13.918 -13.918 1080 1HG1 VAL 139 3HG1 VAL 139 -12.107 -16.124 -16.124 1081 2HG1 VAL 139 2HG1 VAL 139 -12.654 -14.524 -14.524 1082 3HG1 VAL 139 1HG1 VAL 139 -11.529 -14.713 -14.713 1083 1HG2 VAL 139 1HG2 VAL 139 -11.297 -16.506 -16.506 1084 2HG2 VAL 139 3HG2 VAL 139 -10.240 -15.308 -15.308 1085 3HG2 VAL 139 2HG2 VAL 139 -11.897 -14.890 -14.890 1086 H GLY 140 H GLY 140 -8.790 -13.354 -13.354 1087 1HA GLY 140 2HA GLY 140 -7.245 -13.665 -13.665 1088 2HA GLY 140 1HA GLY 140 -8.578 -12.509 -12.509 1089 H HIS 141 H HIS 141 -8.401 -10.663 -10.663 1090 HA HIS 141 HA HIS 141 -5.789 -10.060 -10.060 1091 1HB HIS 141 2HB HIS 141 -5.988 -7.727 -7.727 1092 2HB HIS 141 1HB HIS 141 -5.664 -8.986 -8.986 1093 HD1 HIS 141 HD1 HIS 141 -7.757 -9.680 -9.680 1094 HD2 HIS 141 HD2 HIS 141 -8.487 -6.476 -6.476 1095 HE1 HIS 141 HE1 HIS 141 -9.885 -8.674 -8.674 1096 H VAL 142 H VAL 142 -6.052 -8.149 -8.149 1097 HA VAL 142 HA VAL 142 -8.697 -8.262 -8.262 1098 HB VAL 142 HB VAL 142 -6.634 -8.617 -8.617 1099 1HG1 VAL 142 1HG1 VAL 142 -5.703 -5.874 -5.874 1100 2HG1 VAL 142 3HG1 VAL 142 -5.048 -6.646 -6.646 1101 3HG1 VAL 142 2HG1 VAL 142 -4.945 -7.428 -7.428 1102 1HG2 VAL 142 1HG2 VAL 142 -8.123 -6.109 -6.109 1103 2HG2 VAL 142 3HG2 VAL 142 -8.497 -7.780 -7.780 1104 3HG2 VAL 142 2HG2 VAL 142 -7.026 -7.077 -7.077 1105 H ASP 143 H ASP 143 -7.349 -5.439 -5.439 1106 HA ASP 143 HA ASP 143 -7.886 -3.602 -3.602 1107 1HB ASP 143 2HB ASP 143 -10.061 -2.728 -2.728 1108 2HB ASP 143 1HB ASP 143 -10.126 -3.294 -3.294 1109 H VAL 144 H VAL 144 -6.474 -2.058 -2.058 1110 HA VAL 144 HA VAL 144 -6.639 -0.935 -0.935 1111 HB VAL 144 HB VAL 144 -4.746 -2.490 -2.490 1112 1HG1 VAL 144 2HG1 VAL 144 -4.282 -2.514 -2.514 1113 2HG1 VAL 144 1HG1 VAL 144 -3.668 -0.873 -0.873 1114 3HG1 VAL 144 3HG1 VAL 144 -2.823 -2.168 -2.168 1115 1HG2 VAL 144 2HG2 VAL 144 -4.409 -0.486 -0.486 1116 2HG2 VAL 144 1HG2 VAL 144 -2.886 -1.002 -1.002 1117 3HG2 VAL 144 3HG2 VAL 144 -3.735 0.383 0.383 1118 HA PRO 145 HA PRO 145 -6.666 2.656 2.656 1119 1HB PRO 145 2HB PRO 145 -9.238 3.226 3.226 1120 2HB PRO 145 1HB PRO 145 -8.497 1.896 1.896 1121 1HG PRO 145 2HG PRO 145 -10.142 1.734 1.734 1122 2HG PRO 145 1HG PRO 145 -10.338 0.778 0.778 1123 1HD PRO 145 2HD PRO 145 -8.838 -0.119 -0.119 1124 2HD PRO 145 1HD PRO 145 -8.563 -0.639 -0.639 1125 HA PRO 146 HA PRO 146 -7.059 4.426 4.426 1126 1HB PRO 146 2HB PRO 146 -4.959 6.145 6.145 1127 2HB PRO 146 1HB PRO 146 -4.704 4.392 4.392 1128 1HG PRO 146 2HG PRO 146 -4.791 6.123 6.123 1129 2HG PRO 146 1HG PRO 146 -3.473 5.068 5.068 1130 1HD PRO 146 2HD PRO 146 -5.312 4.131 4.131 1131 2HD PRO 146 1HD PRO 146 -4.735 3.078 3.078 1132 H VAL 147 H VAL 147 -7.437 6.567 6.567 1133 HA VAL 147 HA VAL 147 -8.454 8.660 8.660 1134 HB VAL 147 HB VAL 147 -9.973 7.469 7.469 1135 1HG1 VAL 147 1HG1 VAL 147 -10.820 9.676 9.676 1136 2HG1 VAL 147 3HG1 VAL 147 -11.832 8.938 8.938 1137 3HG1 VAL 147 2HG1 VAL 147 -10.441 9.886 9.886 1138 1HG2 VAL 147 2HG2 VAL 147 -10.537 7.316 7.316 1139 2HG2 VAL 147 1HG2 VAL 147 -10.009 5.972 5.972 1140 3HG2 VAL 147 3HG2 VAL 147 -11.586 6.683 6.683 1141 HA PRO 148 HA PRO 148 -6.633 10.979 10.979 1142 1HB PRO 148 2HB PRO 148 -4.824 12.413 12.413 1143 2HB PRO 148 1HB PRO 148 -4.642 10.652 10.652 1144 1HG PRO 148 2HG PRO 148 -5.520 12.364 12.364 1145 2HG PRO 148 1HG PRO 148 -4.697 10.807 10.807 1146 1HD PRO 148 2HD PRO 148 -7.641 11.320 11.320 1147 2HD PRO 148 1HD PRO 148 -6.780 9.776 9.776 1148 H ASP 149 H ASP 149 -8.916 12.050 12.050 1149 HA ASP 149 HA ASP 149 -8.950 14.810 14.810 1150 1HB ASP 149 2HB ASP 149 -11.060 12.893 12.893 1151 2HB ASP 149 1HB ASP 149 -11.420 14.613 14.613 1152 H HIS 150 H HIS 150 -7.290 15.187 15.187 1153 HA HIS 150 HA HIS 150 -8.010 15.857 15.857 1154 1HB HIS 150 2HB HIS 150 -5.389 16.300 16.300 1155 2HB HIS 150 1HB HIS 150 -5.886 14.605 14.605 1156 HD1 HIS 150 HD1 HIS 150 -5.743 17.291 17.291 1157 HD2 HIS 150 HD2 HIS 150 -3.809 13.850 13.850 1158 HE1 HIS 150 HE1 HIS 150 -4.184 16.725 16.725 1159 H SER 151 H SER 151 -8.119 17.247 17.247 1160 HA SER 151 HA SER 151 -6.952 19.873 19.873 1161 1HB SER 151 2HB SER 151 -8.528 19.021 19.021 1162 2HB SER 151 1HB SER 151 -7.197 20.183 20.183 1163 HG SER 151 HG SER 151 -6.875 17.696 17.696 1164 H ASP 152 H ASP 152 -8.680 19.408 19.408 1165 HA ASP 152 HA ASP 152 -11.249 20.814 20.814 1166 1HB ASP 152 2HB ASP 152 -10.847 20.170 20.170 1167 2HB ASP 152 1HB ASP 152 -12.279 19.929 19.929 1168 H LYS 153 H LYS 153 -8.640 20.582 20.582 1169 HA LYS 153 HA LYS 153 -8.885 23.435 23.435 1170 1HB LYS 153 2HB LYS 153 -7.279 21.216 21.216 1171 2HB LYS 153 1HB LYS 153 -7.943 22.624 22.624 1172 1HG LYS 153 2HG LYS 153 -9.332 20.026 20.026 1173 2HG LYS 153 1HG LYS 153 -9.112 20.656 20.656 1174 1HD LYS 153 2HD LYS 153 -10.641 22.526 22.526 1175 2HD LYS 153 1HD LYS 153 -10.947 21.940 21.940 1176 1HE LYS 153 2HE LYS 153 -11.642 20.535 20.535 1177 2HE LYS 153 1HE LYS 153 -12.788 21.307 21.307 1178 1HZ LYS 153 1HZ LYS 153 -11.382 19.202 19.202 1179 2HZ LYS 153 3HZ LYS 153 -12.053 18.617 18.617 1180 3HZ LYS 153 2HZ LYS 153 -13.022 19.407 19.407 1181 H GLU 154 H GLU 154 -6.924 24.741 24.741 1182 HA GLU 154 HA GLU 154 -5.116 23.407 23.407 1183 1HB GLU 154 2HB GLU 154 -5.240 26.342 26.342 1184 2HB GLU 154 1HB GLU 154 -4.261 25.647 25.647 1185 1HG GLU 154 2HG GLU 154 -6.503 24.759 24.759 1186 2HG GLU 154 1HG GLU 154 -7.271 25.878 25.878 1187 H VAL 155 H VAL 155 -4.149 25.833 25.833 1188 HA VAL 155 HA VAL 155 -1.440 25.327 25.327 1189 HB VAL 155 HB VAL 155 -3.280 25.932 25.932 1190 1HG1 VAL 155 2HG1 VAL 155 -0.930 25.430 25.430 1191 2HG1 VAL 155 1HG1 VAL 155 -0.356 26.670 26.670 1192 3HG1 VAL 155 3HG1 VAL 155 -1.312 27.113 27.113 1193 1HG2 VAL 155 2HG2 VAL 155 -2.037 27.899 27.899 1194 2HG2 VAL 155 1HG2 VAL 155 -3.750 27.553 27.553 1195 3HG2 VAL 155 3HG2 VAL 155 -2.920 28.351 28.351 1196 H PHE 156 H PHE 156 -4.059 23.981 23.981 1197 HA PHE 156 HA PHE 156 -2.879 21.971 21.971 1198 1HB PHE 156 2HB PHE 156 -5.565 21.734 21.734 1199 2HB PHE 156 1HB PHE 156 -5.153 21.099 21.099 1200 HD1 PHE 156 HD1 PHE 156 -4.933 22.737 22.737 1201 HD2 PHE 156 HD2 PHE 156 -6.244 23.995 23.995 1202 HE1 PHE 156 HE1 PHE 156 -5.782 24.830 24.830 1203 HE2 PHE 156 HE2 PHE 156 -7.086 26.057 26.057 1204 HZ PHE 156 HZ PHE 156 -6.862 26.495 26.495 1205 H GLN 157 H GLN 157 -4.621 21.442 21.442 1206 HA GLN 157 HA GLN 157 -4.037 18.911 18.911 1207 1HB GLN 157 2HB GLN 157 -5.247 20.202 20.202 1208 2HB GLN 157 1HB GLN 157 -3.957 21.367 21.367 1209 1HG GLN 157 2HG GLN 157 -3.540 18.481 18.481 1210 2HG GLN 157 1HG GLN 157 -4.519 19.537 19.537 1211 1HE2 GLN 157 2HE2 GLN 157 -0.580 19.841 19.841 1212 2HE2 GLN 157 1HE2 GLN 157 -1.333 18.568 18.568 1213 H LYS 158 H LYS 158 -1.685 21.409 21.409 1214 HA LYS 158 HA LYS 158 0.291 19.503 19.503 1215 1HB LYS 158 2HB LYS 158 0.764 22.122 22.122 1216 2HB LYS 158 1HB LYS 158 2.080 21.092 21.092 1217 1HG LYS 158 2HG LYS 158 1.804 22.829 22.829 1218 2HG LYS 158 1HG LYS 158 1.279 21.329 21.329 1219 1HD LYS 158 2HD LYS 158 -1.116 21.911 21.911 1220 2HD LYS 158 1HD LYS 158 -0.652 23.403 23.403 1221 1HE LYS 158 2HE LYS 158 -0.013 22.634 22.634 1222 2HE LYS 158 1HE LYS 158 -1.305 23.721 23.721 1223 1HZ LYS 158 3HZ LYS 158 1.068 24.562 24.562 1224 2HZ LYS 158 2HZ LYS 158 1.432 24.349 24.349 1225 3HZ LYS 158 1HZ LYS 158 0.174 25.382 25.382 1226 H LYS 159 H LYS 159 0.369 21.018 21.018 1227 HA LYS 159 HA LYS 159 1.997 19.319 19.319 1228 1HB LYS 159 2HB LYS 159 -0.340 21.108 21.108 1229 2HB LYS 159 1HB LYS 159 0.852 20.472 20.472 1230 1HG LYS 159 2HG LYS 159 2.671 21.603 21.603 1231 2HG LYS 159 1HG LYS 159 1.771 21.983 21.983 1232 1HD LYS 159 2HD LYS 159 2.157 23.992 23.992 1233 2HD LYS 159 1HD LYS 159 0.437 23.639 23.639 1234 1HE LYS 159 2HE LYS 159 0.458 22.793 22.793 1235 2HE LYS 159 1HE LYS 159 2.202 22.567 22.567 1236 1HZ LYS 159 3HZ LYS 159 1.738 25.331 25.331 1237 2HZ LYS 159 2HZ LYS 159 0.770 24.754 24.754 1238 3HZ LYS 159 1HZ LYS 159 2.412 24.450 24.450 1239 H LYS 160 H LYS 160 -1.467 19.341 19.341 1240 HA LYS 160 HA LYS 160 -1.648 16.883 16.883 1241 1HB LYS 160 2HB LYS 160 -3.268 18.288 18.288 1242 2HB LYS 160 1HB LYS 160 -3.255 19.250 19.250 1243 1HG LYS 160 2HG LYS 160 -4.771 16.653 16.653 1244 2HG LYS 160 1HG LYS 160 -5.442 18.238 18.238 1245 1HD LYS 160 2HD LYS 160 -5.415 18.875 18.875 1246 2HD LYS 160 1HD LYS 160 -4.018 17.893 17.893 1247 1HE LYS 160 2HE LYS 160 -5.318 15.889 15.889 1248 2HE LYS 160 1HE LYS 160 -6.699 16.737 16.737 1249 1HZ LYS 160 1HZ LYS 160 -6.066 17.808 17.808 1250 2HZ LYS 160 3HZ LYS 160 -6.252 16.114 16.114 1251 3HZ LYS 160 2HZ LYS 160 -7.452 17.103 17.103 1252 H LEU 161 H LEU 161 -1.151 17.351 17.351 1253 HA LEU 161 HA LEU 161 -2.703 15.904 15.904 1254 1HB LEU 161 2HB LEU 161 -0.199 16.648 16.648 1255 2HB LEU 161 1HB LEU 161 0.242 15.096 15.096 1256 HG LEU 161 HG LEU 161 0.388 14.906 14.906 1257 1HD1 LEU 161 3HD1 LEU 161 -0.909 12.976 12.976 1258 2HD1 LEU 161 2HD1 LEU 161 -2.401 13.829 13.829 1259 3HD1 LEU 161 1HD1 LEU 161 -1.329 13.361 13.361 1260 1HD2 LEU 161 3HD2 LEU 161 -2.213 16.410 16.410 1261 2HD2 LEU 161 2HD2 LEU 161 -0.584 16.953 16.953 1262 3HD2 LEU 161 1HD2 LEU 161 -1.342 15.695 15.695 1263 H GLY 162 H GLY 162 -0.756 14.705 14.705 1264 1HA GLY 162 2HA GLY 162 -1.669 11.911 11.911 1265 2HA GLY 162 1HA GLY 162 -0.381 12.549 12.549 1266 H CYS 163 H CYS 163 -1.983 14.622 14.622 1267 HA CYS 163 HA CYS 163 -2.852 13.315 13.315 1268 1HB CYS 163 2HB CYS 163 -2.802 15.979 15.979 1269 2HB CYS 163 1HB CYS 163 -4.493 15.722 15.722 1270 H GLN 164 H GLN 164 -4.896 14.384 14.384 1271 HA GLN 164 HA GLN 164 -7.302 13.172 13.172 1272 1HB GLN 164 2HB GLN 164 -6.504 14.270 14.270 1273 2HB GLN 164 1HB GLN 164 -7.525 12.877 12.877 1274 1HG GLN 164 2HG GLN 164 -9.356 13.886 13.886 1275 2HG GLN 164 1HG GLN 164 -8.360 15.265 15.265 1276 1HE2 GLN 164 2HE2 GLN 164 -10.221 15.351 15.351 1277 2HE2 GLN 164 1HE2 GLN 164 -10.335 13.918 13.918 1278 H LEU 165 H LEU 165 -4.558 11.791 11.791 1279 HA LEU 165 HA LEU 165 -5.898 9.210 9.210 1280 1HB LEU 165 2HB LEU 165 -3.012 10.149 10.149 1281 2HB LEU 165 1HB LEU 165 -3.506 8.506 8.506 1282 HG LEU 165 HG LEU 165 -3.320 10.005 10.005 1283 1HD1 LEU 165 2HD1 LEU 165 -5.932 8.478 8.478 1284 2HD1 LEU 165 1HD1 LEU 165 -5.251 8.935 8.935 1285 3HD1 LEU 165 3HD1 LEU 165 -4.405 7.786 7.786 1286 1HD2 LEU 165 2HD2 LEU 165 -4.564 11.968 11.968 1287 2HD2 LEU 165 1HD2 LEU 165 -5.301 11.287 11.287 1288 3HD2 LEU 165 3HD2 LEU 165 -6.033 10.994 10.994 1289 H LEU 166 H LEU 166 -3.192 10.430 10.430 1290 HA LEU 166 HA LEU 166 -3.074 7.894 7.894 1291 1HB LEU 166 2HB LEU 166 -2.356 10.666 10.666 1292 2HB LEU 166 1HB LEU 166 -2.492 9.502 9.502 1293 HG LEU 166 HG LEU 166 -0.130 9.624 9.624 1294 1HD1 LEU 166 1HD1 LEU 166 -1.665 6.964 6.964 1295 2HD1 LEU 166 3HD1 LEU 166 0.041 7.063 7.063 1296 3HD1 LEU 166 2HD1 LEU 166 -0.779 7.595 7.595 1297 1HD2 LEU 166 1HD2 LEU 166 -0.797 9.941 9.941 1298 2HD2 LEU 166 3HD2 LEU 166 0.248 8.540 8.540 1299 3HD2 LEU 166 2HD2 LEU 166 -1.469 8.312 8.312 1300 H GLY 167 H GLY 167 -5.446 10.471 10.471 1301 1HA GLY 167 2HA GLY 167 -6.444 9.248 9.248 1302 2HA GLY 167 1HA GLY 167 -7.436 10.180 10.180 1303 H THR 168 H THR 168 -7.842 8.970 8.970 1304 HA THR 168 HA THR 168 -9.651 6.751 6.751 1305 HB THR 168 HB THR 168 -8.897 6.501 6.501 1306 HG1 THR 168 HG1 THR 168 -8.044 9.105 9.105 1307 1HG2 THR 168 2HG2 THR 168 -10.953 7.628 7.628 1308 2HG2 THR 168 1HG2 THR 168 -10.047 9.124 9.124 1309 3HG2 THR 168 3HG2 THR 168 -10.268 8.358 8.358 1310 H TYR 169 H TYR 169 -6.513 6.858 6.858 1311 HA TYR 169 HA TYR 169 -5.831 4.224 4.224 1312 1HB TYR 169 2HB TYR 169 -4.243 5.953 5.953 1313 2HB TYR 169 1HB TYR 169 -4.256 6.401 6.401 1314 HD1 TYR 169 HD2 TYR 169 -3.030 3.836 3.836 1315 HD2 TYR 169 HD1 TYR 169 -2.949 5.323 5.323 1316 HE1 TYR 169 HE2 TYR 169 -1.008 2.489 2.489 1317 HE2 TYR 169 HE1 TYR 169 -0.929 3.937 3.937 1318 HH TYR 169 HH TYR 169 0.776 3.332 3.332 1319 H LYS 170 H LYS 170 -5.634 5.958 5.958 1320 HA LYS 170 HA LYS 170 -4.922 3.548 3.548 1321 1HB LYS 170 2HB LYS 170 -4.739 5.900 5.900 1322 2HB LYS 170 1HB LYS 170 -6.488 5.944 5.944 1323 1HG LYS 170 2HG LYS 170 -6.382 3.838 3.838 1324 2HG LYS 170 1HG LYS 170 -4.647 3.944 3.944 1325 1HD LYS 170 2HD LYS 170 -5.382 4.928 4.928 1326 2HD LYS 170 1HD LYS 170 -4.779 6.236 6.236 1327 1HE LYS 170 2HE LYS 170 -7.089 6.785 6.785 1328 2HE LYS 170 1HE LYS 170 -7.699 5.493 5.493 1329 1HZ LYS 170 2HZ LYS 170 -5.983 7.087 7.087 1330 2HZ LYS 170 1HZ LYS 170 -7.025 8.147 8.147 1331 3HZ LYS 170 3HZ LYS 170 -7.668 6.945 6.945 1332 H GLN 171 H GLN 171 -8.062 5.182 5.182 1333 HA GLN 171 HA GLN 171 -9.697 3.302 3.302 1334 1HB GLN 171 2HB GLN 171 -10.229 4.880 4.880 1335 2HB GLN 171 1HB GLN 171 -11.480 4.033 4.033 1336 1HG GLN 171 2HG GLN 171 -9.820 6.079 6.079 1337 2HG GLN 171 1HG GLN 171 -11.094 6.622 6.622 1338 1HE2 GLN 171 2HE2 GLN 171 -12.212 4.965 4.965 1339 2HE2 GLN 171 1HE2 GLN 171 -10.556 5.236 5.236 1340 H VAL 172 H VAL 172 -8.740 3.136 3.136 1341 HA VAL 172 HA VAL 172 -10.071 0.619 0.619 1342 HB VAL 172 HB VAL 172 -9.350 1.286 1.286 1343 1HG1 VAL 172 1HG1 VAL 172 -9.981 3.733 3.733 1344 2HG1 VAL 172 3HG1 VAL 172 -10.015 3.729 3.729 1345 3HG1 VAL 172 2HG1 VAL 172 -11.119 2.691 2.691 1346 1HG2 VAL 172 2HG2 VAL 172 -7.437 3.159 3.159 1347 2HG2 VAL 172 1HG2 VAL 172 -6.948 1.683 1.683 1348 3HG2 VAL 172 3HG2 VAL 172 -7.667 2.985 2.985 1349 H ILE 173 H ILE 173 -6.711 1.624 1.624 1350 HA ILE 173 HA ILE 173 -5.405 -0.878 -0.878 1351 HB ILE 173 HB ILE 173 -4.233 1.646 1.646 1352 1HG1 ILE 173 2HG1 ILE 173 -2.156 0.678 0.678 1353 2HG1 ILE 173 1HG1 ILE 173 -2.905 -0.866 -0.866 1354 1HG2 ILE 173 3HG2 ILE 173 -5.066 1.508 1.508 1355 2HG2 ILE 173 2HG2 ILE 173 -4.058 0.091 0.091 1356 3HG2 ILE 173 1HG2 ILE 173 -3.352 1.642 1.642 1357 1HD1 ILE 173 1HD1 ILE 173 -3.450 -0.771 -0.771 1358 2HD1 ILE 173 3HD1 ILE 173 -2.638 0.773 0.773 1359 3HD1 ILE 173 2HD1 ILE 173 -1.745 -0.692 -0.692 1360 H SER 174 H SER 174 -6.870 0.584 0.584 1361 HA SER 174 HA SER 174 -6.352 -1.405 -1.405 1362 1HB SER 174 2HB SER 174 -7.153 0.888 0.888 1363 2HB SER 174 1HB SER 174 -8.768 0.381 0.381 1364 HG SER 174 HG SER 174 -7.609 -0.027 -0.027 1365 H VAL 175 H VAL 175 -8.481 -1.402 -1.402 1366 HA VAL 175 HA VAL 175 -10.081 -3.680 -3.680 1367 HB VAL 175 HB VAL 175 -10.377 -1.817 -1.817 1368 1HG1 VAL 175 3HG1 VAL 175 -12.076 -4.266 -4.266 1369 2HG1 VAL 175 2HG1 VAL 175 -12.456 -3.066 -3.066 1370 3HG1 VAL 175 1HG1 VAL 175 -11.048 -4.085 -4.085 1371 1HG2 VAL 175 1HG2 VAL 175 -11.051 -0.996 -0.996 1372 2HG2 VAL 175 3HG2 VAL 175 -12.444 -1.207 -1.207 1373 3HG2 VAL 175 2HG2 VAL 175 -12.088 -2.402 -2.402 1374 H VAL 176 H VAL 176 -7.637 -2.818 -2.818 1375 HA VAL 176 HA VAL 176 -8.087 -5.322 -5.322 1376 HB VAL 176 HB VAL 176 -6.062 -4.767 -4.767 1377 1HG1 VAL 176 3HG1 VAL 176 -8.413 -4.170 -4.170 1378 2HG1 VAL 176 2HG1 VAL 176 -8.264 -2.655 -2.655 1379 3HG1 VAL 176 1HG1 VAL 176 -7.370 -2.919 -2.919 1380 1HG2 VAL 176 3HG2 VAL 176 -5.056 -3.224 -3.224 1381 2HG2 VAL 176 2HG2 VAL 176 -5.323 -2.448 -2.448 1382 3HG2 VAL 176 1HG2 VAL 176 -6.490 -2.238 -2.238 1383 H VAL 177 H VAL 177 -6.154 -3.945 -3.945 1384 HA VAL 177 HA VAL 177 -4.202 -6.038 -6.038 1385 HB VAL 177 HB VAL 177 -4.245 -3.522 -3.522 1386 1HG1 VAL 177 2HG1 VAL 177 -6.237 -3.416 -3.416 1387 2HG1 VAL 177 1HG1 VAL 177 -5.687 -4.461 -4.461 1388 3HG1 VAL 177 3HG1 VAL 177 -4.941 -2.889 -2.889 1389 1HG2 VAL 177 3HG2 VAL 177 -3.217 -5.475 -5.475 1390 2HG2 VAL 177 2HG2 VAL 177 -2.322 -4.822 -4.822 1391 3HG2 VAL 177 1HG2 VAL 177 -2.838 -3.766 -3.766 1392 H GLN 178 H GLN 178 -7.465 -5.441 -5.441 1393 HA GLN 178 HA GLN 178 -7.649 -7.760 -7.760 1394 1HB GLN 178 2HB GLN 178 -8.609 -5.360 -5.360 1395 2HB GLN 178 1HB GLN 178 -9.857 -5.730 -5.730 1396 1HG GLN 178 2HG GLN 178 -10.430 -7.834 -7.834 1397 2HG GLN 178 1HG GLN 178 -9.277 -7.363 -7.363 1398 1HE2 GLN 178 2HE2 GLN 178 -11.790 -5.392 -5.392 1399 2HE2 GLN 178 1HE2 GLN 178 -10.387 -6.330 -6.330 1400 H ALA 179 H ALA 179 -7.393 -7.527 -7.527 1401 HA ALA 179 HA ALA 179 -9.928 -8.852 -8.852 1402 1HB ALA 179 3HB ALA 179 -7.748 -7.566 -7.566 1403 2HB ALA 179 2HB ALA 179 -9.156 -8.274 -8.274 1404 3HB ALA 179 1HB ALA 179 -9.340 -6.877 -6.877 1405 H PHE 180 H PHE 180 -6.429 -9.017 -9.017 1406 HA PHE 180 HA PHE 180 -6.575 -11.967 -11.967 1407 1HB PHE 180 2HB PHE 180 -4.681 -11.666 -11.666 1408 2HB PHE 180 1HB PHE 180 -6.269 -11.138 -11.138 1409 HD1 PHE 180 HD1 PHE 180 -3.208 -9.742 -9.742 1410 HD2 PHE 180 HD2 PHE 180 -6.490 -9.051 -9.051 1411 HE1 PHE 180 HE1 PHE 180 -2.447 -7.439 -7.439 1412 HE2 PHE 180 HE2 PHE 180 -5.741 -6.769 -6.769 1413 HZ PHE 180 HZ PHE 180 -3.674 -5.986 -5.986 Start of MODEL 5 1 1H SER 1 2H SER 1 -7.102 -30.515 -30.515 2 2H SER 1 1H SER 1 -8.101 -31.881 -31.881 3 3H SER 1 3H SER 1 -7.332 -31.135 -31.135 4 HA SER 1 HA SER 1 -9.129 -29.867 -29.867 5 1HB SER 1 2HB SER 1 -10.275 -30.944 -30.944 6 2HB SER 1 1HB SER 1 -11.120 -30.640 -30.640 7 HG SER 1 HG SER 1 -10.628 -32.721 -32.721 8 HA PRO 2 HA PRO 2 -6.985 -27.555 -27.555 9 1HB PRO 2 2HB PRO 2 -5.412 -25.859 -25.859 10 2HB PRO 2 1HB PRO 2 -5.108 -27.596 -27.596 11 1HG PRO 2 2HG PRO 2 -6.732 -25.828 -25.828 12 2HG PRO 2 1HG PRO 2 -5.404 -26.908 -26.908 13 1HD PRO 2 2HD PRO 2 -8.034 -27.719 -27.719 14 2HD PRO 2 1HD PRO 2 -6.737 -28.860 -28.860 15 H LEU 3 H LEU 3 -9.529 -26.874 -26.874 16 HA LEU 3 HA LEU 3 -10.854 -24.763 -24.763 17 1HB LEU 3 2HB LEU 3 -10.301 -25.726 -25.726 18 2HB LEU 3 1HB LEU 3 -11.151 -24.212 -24.212 19 HG LEU 3 HG LEU 3 -12.518 -25.783 -25.783 20 1HD1 LEU 3 3HD1 LEU 3 -11.330 -27.853 -27.853 21 2HD1 LEU 3 2HD1 LEU 3 -11.901 -27.596 -27.596 22 3HD1 LEU 3 1HD1 LEU 3 -13.046 -27.917 -27.917 23 1HD2 LEU 3 2HD2 LEU 3 -13.194 -25.401 -25.401 24 2HD2 LEU 3 1HD2 LEU 3 -13.526 -24.264 -24.264 25 3HD2 LEU 3 3HD2 LEU 3 -14.334 -25.816 -25.816 26 HA PRO 4 HA PRO 4 -7.813 -21.364 -21.364 27 1HB PRO 4 2HB PRO 4 -8.574 -19.932 -19.932 28 2HB PRO 4 1HB PRO 4 -7.631 -21.418 -21.418 29 1HG PRO 4 2HG PRO 4 -10.685 -21.102 -21.102 30 2HG PRO 4 1HG PRO 4 -9.652 -21.821 -21.821 31 1HD PRO 4 2HD PRO 4 -10.864 -23.398 -23.398 32 2HD PRO 4 1HD PRO 4 -9.182 -23.772 -23.772 33 H ILE 5 H ILE 5 -9.353 -21.235 -21.235 34 HA ILE 5 HA ILE 5 -11.126 -18.829 -18.829 35 HB ILE 5 HB ILE 5 -12.335 -19.747 -19.747 36 1HG1 ILE 5 2HG1 ILE 5 -10.638 -22.246 -22.246 37 2HG1 ILE 5 1HG1 ILE 5 -10.573 -21.271 -21.271 38 1HG2 ILE 5 2HG2 ILE 5 -13.183 -20.036 -20.036 39 2HG2 ILE 5 1HG2 ILE 5 -12.252 -21.509 -21.509 40 3HG2 ILE 5 3HG2 ILE 5 -13.593 -21.437 -21.437 41 1HD1 ILE 5 2HD1 ILE 5 -12.919 -21.849 -21.849 42 2HD1 ILE 5 1HD1 ILE 5 -13.008 -22.865 -22.865 43 3HD1 ILE 5 3HD1 ILE 5 -11.906 -23.276 -23.276 44 H THR 6 H THR 6 -8.982 -20.361 -20.361 45 HA THR 6 HA THR 6 -8.485 -19.244 -19.244 46 HB THR 6 HB THR 6 -6.332 -18.727 -18.727 47 HG1 THR 6 HG1 THR 6 -6.449 -20.845 -20.845 48 1HG2 THR 6 1HG2 THR 6 -5.859 -18.191 -18.191 49 2HG2 THR 6 3HG2 THR 6 -6.274 -19.855 -19.855 50 3HG2 THR 6 2HG2 THR 6 -4.878 -19.491 -19.491 51 HA PRO 7 HA PRO 7 -9.331 -14.705 -14.705 52 1HB PRO 7 2HB PRO 7 -11.120 -14.422 -14.422 53 2HB PRO 7 1HB PRO 7 -11.608 -14.971 -14.971 54 1HG PRO 7 2HG PRO 7 -10.832 -16.697 -16.697 55 2HG PRO 7 1HG PRO 7 -12.335 -16.781 -16.781 56 1HD PRO 7 2HD PRO 7 -10.332 -18.469 -18.469 57 2HD PRO 7 1HD PRO 7 -11.197 -17.661 -17.661 58 H VAL 8 H VAL 8 -7.018 -14.756 -14.756 59 HA VAL 8 HA VAL 8 -6.796 -13.811 -13.811 60 HB VAL 8 HB VAL 8 -6.022 -16.173 -16.173 61 1HG1 VAL 8 1HG1 VAL 8 -5.301 -16.131 -16.131 62 2HG1 VAL 8 3HG1 VAL 8 -3.935 -15.118 -15.118 63 3HG1 VAL 8 2HG1 VAL 8 -4.021 -16.748 -16.748 64 1HG2 VAL 8 2HG2 VAL 8 -4.963 -14.664 -14.664 65 2HG2 VAL 8 1HG2 VAL 8 -3.778 -15.816 -15.816 66 3HG2 VAL 8 3HG2 VAL 8 -3.758 -14.165 -14.165 67 H ASN 9 H ASN 9 -7.174 -11.946 -11.946 68 HA ASN 9 HA ASN 9 -4.456 -10.920 -10.920 69 1HB ASN 9 2HB ASN 9 -7.124 -10.411 -10.411 70 2HB ASN 9 1HB ASN 9 -5.692 -9.510 -9.510 71 1HD2 ASN 9 2HD2 ASN 9 -4.661 -13.140 -13.140 72 2HD2 ASN 9 1HD2 ASN 9 -4.429 -12.547 -12.547 73 H ALA 10 H ALA 10 -4.808 -10.426 -10.426 74 HA ALA 10 HA ALA 10 -5.683 -7.555 -7.555 75 1HB ALA 10 1HB ALA 10 -5.441 -9.659 -9.659 76 2HB ALA 10 3HB ALA 10 -5.875 -7.967 -7.967 77 3HB ALA 10 2HB ALA 10 -6.914 -9.007 -9.007 78 H THR 11 H THR 11 -3.640 -9.067 -9.067 79 HA THR 11 HA THR 11 -1.314 -7.649 -7.649 80 HB THR 11 HB THR 11 -0.758 -6.953 -6.953 81 HG1 THR 11 HG1 THR 11 -3.140 -6.429 -6.429 82 1HG2 THR 11 1HG2 THR 11 -1.336 -5.435 -5.435 83 2HG2 THR 11 3HG2 THR 11 -3.025 -5.686 -5.686 84 3HG2 THR 11 2HG2 THR 11 -1.999 -4.840 -4.840 85 H CYS 12 H CYS 12 -2.340 -10.457 -10.457 86 HA CYS 12 HA CYS 12 -0.280 -11.552 -11.552 87 1HB CYS 12 2HB CYS 12 -1.179 -12.891 -12.891 88 2HB CYS 12 1HB CYS 12 -0.502 -13.688 -13.688 89 H ALA 13 H ALA 13 -0.162 -10.916 -10.916 90 HA ALA 13 HA ALA 13 2.383 -11.929 -11.929 91 1HB ALA 13 2HB ALA 13 0.686 -11.414 -11.414 92 2HB ALA 13 1HB ALA 13 0.805 -9.696 -9.696 93 3HB ALA 13 3HB ALA 13 2.173 -10.520 -10.520 94 H ILE 14 H ILE 14 1.656 -8.531 -8.531 95 HA ILE 14 HA ILE 14 4.662 -8.244 -8.244 96 HB ILE 14 HB ILE 14 4.433 -5.959 -5.959 97 1HG1 ILE 14 2HG1 ILE 14 3.045 -5.119 -5.119 98 2HG1 ILE 14 1HG1 ILE 14 2.348 -4.596 -4.596 99 1HG2 ILE 14 2HG2 ILE 14 3.643 -7.251 -7.251 100 2HG2 ILE 14 1HG2 ILE 14 1.996 -7.221 -7.221 101 3HG2 ILE 14 3HG2 ILE 14 2.768 -5.736 -5.736 102 1HD1 ILE 14 1HD1 ILE 14 1.377 -6.939 -6.939 103 2HD1 ILE 14 3HD1 ILE 14 0.640 -5.361 -5.361 104 3HD1 ILE 14 2HD1 ILE 14 0.662 -6.408 -6.408 105 H ARG 15 H ARG 15 2.918 -9.308 -9.308 106 HA ARG 15 HA ARG 15 3.908 -7.327 -7.327 107 1HB ARG 15 2HB ARG 15 2.472 -8.600 -8.600 108 2HB ARG 15 1HB ARG 15 1.619 -7.783 -7.783 109 1HG ARG 15 2HG ARG 15 0.661 -9.634 -9.634 110 2HG ARG 15 1HG ARG 15 2.180 -10.424 -10.424 111 1HD ARG 15 2HD ARG 15 1.728 -10.493 -10.493 112 2HD ARG 15 1HD ARG 15 0.207 -10.856 -10.856 113 HE ARG 15 HE ARG 15 2.775 -12.317 -12.317 114 1HH1 ARG 15 2HH1 ARG 15 -0.657 -12.330 -12.330 115 2HH1 ARG 15 1HH1 ARG 15 -0.798 -13.929 -13.929 116 1HH2 ARG 15 1HH2 ARG 15 2.693 -14.321 -14.321 117 2HH2 ARG 15 2HH2 ARG 15 1.212 -15.177 -15.177 118 H HIS 16 H HIS 16 3.498 -10.724 -10.724 119 HA HIS 16 HA HIS 16 6.407 -11.114 -11.114 120 1HB HIS 16 2HB HIS 16 4.268 -11.177 -11.177 121 2HB HIS 16 1HB HIS 16 5.476 -12.440 -12.440 122 HD1 HIS 16 HD1 HIS 16 6.032 -8.784 -8.784 123 HD2 HIS 16 HD2 HIS 16 7.197 -11.576 -11.576 124 HE1 HIS 16 HE1 HIS 16 7.720 -7.700 -7.700 125 HA PRO 17 HA PRO 17 5.211 -15.364 -15.364 126 1HB PRO 17 2HB PRO 17 7.590 -16.461 -16.461 127 2HB PRO 17 1HB PRO 17 7.080 -15.112 -15.112 128 1HG PRO 17 2HG PRO 17 8.965 -15.070 -15.070 129 2HG PRO 17 1HG PRO 17 9.138 -14.222 -14.222 130 1HD PRO 17 2HD PRO 17 8.002 -13.067 -13.067 131 2HD PRO 17 1HD PRO 17 7.855 -12.404 -12.404 132 H CYS 18 H CYS 18 4.843 -14.787 -14.787 133 HA CYS 18 HA CYS 18 6.126 -17.123 -17.123 134 1HB CYS 18 2HB CYS 18 5.890 -15.788 -15.788 135 2HB CYS 18 1HB CYS 18 6.969 -15.097 -15.097 136 H HIS 19 H HIS 19 4.996 -17.795 -17.795 137 HA HIS 19 HA HIS 19 2.041 -17.855 -17.855 138 1HB HIS 19 2HB HIS 19 3.888 -20.305 -20.305 139 2HB HIS 19 1HB HIS 19 2.132 -20.370 -20.370 140 HD1 HIS 19 HD1 HIS 19 0.911 -19.365 -19.365 141 HD2 HIS 19 HD2 HIS 19 4.794 -20.578 -20.578 142 HE1 HIS 19 HE1 HIS 19 1.281 -19.665 -19.665 143 H GLY 20 H GLY 20 1.784 -19.710 -19.710 144 1HA GLY 20 2HA GLY 20 2.983 -19.804 -19.804 145 2HA GLY 20 1HA GLY 20 2.987 -18.036 -18.036 146 H ASN 21 H ASN 21 1.944 -18.818 -18.818 147 HA ASN 21 HA ASN 21 -0.980 -19.337 -19.337 148 1HB ASN 21 2HB ASN 21 0.997 -19.170 -19.170 149 2HB ASN 21 1HB ASN 21 -0.722 -19.459 -19.459 150 1HD2 ASN 21 2HD2 ASN 21 1.505 -22.601 -22.601 151 2HD2 ASN 21 1HD2 ASN 21 2.211 -21.178 -21.178 152 H LEU 22 H LEU 22 1.116 -16.708 -16.708 153 HA LEU 22 HA LEU 22 0.813 -14.442 -14.442 154 1HB LEU 22 2HB LEU 22 -0.948 -14.910 -14.910 155 2HB LEU 22 1HB LEU 22 -2.153 -14.751 -14.751 156 HG LEU 22 HG LEU 22 -1.071 -12.483 -12.483 157 1HD1 LEU 22 3HD1 LEU 22 0.187 -12.902 -12.902 158 2HD1 LEU 22 2HD1 LEU 22 0.212 -11.414 -11.414 159 3HD1 LEU 22 1HD1 LEU 22 1.079 -12.818 -12.818 160 1HD2 LEU 22 3HD2 LEU 22 -2.351 -12.822 -12.822 161 2HD2 LEU 22 2HD2 LEU 22 -3.213 -12.644 -12.644 162 3HD2 LEU 22 1HD2 LEU 22 -2.262 -11.319 -11.319 163 H MET 23 H MET 23 -2.001 -16.081 -16.081 164 HA MET 23 HA MET 23 -3.318 -14.753 -14.753 165 1HB MET 23 2HB MET 23 -1.679 -17.173 -17.173 166 2HB MET 23 1HB MET 23 -3.006 -16.519 -16.519 167 1HG MET 23 2HG MET 23 -4.539 -16.851 -16.851 168 2HG MET 23 1HG MET 23 -3.229 -17.538 -17.538 169 1HE MET 23 1HE MET 23 -5.747 -17.784 -17.784 170 2HE MET 23 3HE MET 23 -5.768 -19.451 -19.451 171 3HE MET 23 2HE MET 23 -4.519 -18.374 -18.374 172 H ASN 24 H ASN 24 -0.375 -15.734 -15.734 173 HA ASN 24 HA ASN 24 -0.742 -13.181 -13.181 174 1HB ASN 24 2HB ASN 24 1.021 -15.601 -15.601 175 2HB ASN 24 1HB ASN 24 0.977 -14.158 -14.158 176 1HD2 ASN 24 2HD2 ASN 24 -1.627 -16.889 -16.889 177 2HD2 ASN 24 1HD2 ASN 24 -0.123 -17.194 -17.194 178 H GLN 25 H GLN 25 0.724 -13.696 -13.696 179 HA GLN 25 HA GLN 25 3.401 -12.570 -12.570 180 1HB GLN 25 2HB GLN 25 2.619 -14.215 -14.215 181 2HB GLN 25 1HB GLN 25 2.140 -12.734 -12.734 182 1HG GLN 25 2HG GLN 25 4.976 -13.326 -13.326 183 2HG GLN 25 1HG GLN 25 4.436 -13.477 -13.477 184 1HE2 GLN 25 2HE2 GLN 25 4.447 -9.999 -9.999 185 2HE2 GLN 25 1HE2 GLN 25 3.880 -11.491 -11.491 186 H ILE 26 H ILE 26 0.586 -11.575 -11.575 187 HA ILE 26 HA ILE 26 1.342 -8.783 -8.783 188 HB ILE 26 HB ILE 26 -1.083 -8.355 -8.355 189 1HG1 ILE 26 2HG1 ILE 26 -1.264 -11.427 -11.427 190 2HG1 ILE 26 1HG1 ILE 26 -2.043 -10.408 -10.408 191 1HG2 ILE 26 1HG2 ILE 26 0.715 -8.613 -8.613 192 2HG2 ILE 26 3HG2 ILE 26 0.509 -10.357 -10.357 193 3HG2 ILE 26 2HG2 ILE 26 -0.751 -9.293 -9.293 194 1HD1 ILE 26 1HD1 ILE 26 -2.483 -10.161 -10.161 195 2HD1 ILE 26 3HD1 ILE 26 -3.581 -10.944 -10.944 196 3HD1 ILE 26 2HD1 ILE 26 -3.273 -9.216 -9.216 197 H LYS 27 H LYS 27 -0.542 -10.723 -10.723 198 HA LYS 27 HA LYS 27 -1.765 -8.540 -8.540 199 1HB LYS 27 2HB LYS 27 -2.407 -10.979 -10.979 200 2HB LYS 27 1HB LYS 27 -0.946 -11.244 -11.244 201 1HG LYS 27 2HG LYS 27 -1.846 -9.309 -9.309 202 2HG LYS 27 1HG LYS 27 -3.360 -9.497 -9.497 203 1HD LYS 27 2HD LYS 27 -1.895 -11.683 -11.683 204 2HD LYS 27 1HD LYS 27 -3.329 -10.822 -10.822 205 1HE LYS 27 2HE LYS 27 -4.667 -11.762 -11.762 206 2HE LYS 27 1HE LYS 27 -3.246 -12.525 -12.525 207 1HZ LYS 27 3HZ LYS 27 -3.392 -13.292 -13.292 208 2HZ LYS 27 2HZ LYS 27 -4.920 -13.560 -13.560 209 3HZ LYS 27 1HZ LYS 27 -3.480 -14.222 -14.222 210 H ASN 28 H ASN 28 1.226 -10.368 -10.368 211 HA ASN 28 HA ASN 28 2.080 -8.836 -8.836 212 1HB ASN 28 2HB ASN 28 3.680 -10.569 -10.569 213 2HB ASN 28 1HB ASN 28 4.360 -9.853 -9.853 214 1HD2 ASN 28 2HD2 ASN 28 1.439 -12.350 -12.350 215 2HD2 ASN 28 1HD2 ASN 28 1.055 -10.906 -10.906 216 H GLN 29 H GLN 29 2.833 -8.722 -8.722 217 HA GLN 29 HA GLN 29 4.737 -6.664 -6.664 218 1HB GLN 29 2HB GLN 29 2.624 -7.452 -7.452 219 2HB GLN 29 1HB GLN 29 3.736 -6.136 -6.136 220 1HG GLN 29 2HG GLN 29 4.815 -8.849 -8.849 221 2HG GLN 29 1HG GLN 29 4.343 -8.526 -8.526 222 1HE2 GLN 29 2HE2 GLN 29 7.082 -6.353 -6.353 223 2HE2 GLN 29 1HE2 GLN 29 5.604 -6.920 -6.920 224 H LEU 30 H LEU 30 1.207 -6.300 -6.300 225 HA LEU 30 HA LEU 30 1.371 -3.461 -3.461 226 1HB LEU 30 2HB LEU 30 -0.850 -5.450 -5.450 227 2HB LEU 30 1HB LEU 30 -1.238 -3.784 -3.784 228 HG LEU 30 HG LEU 30 -0.002 -4.716 -4.716 229 1HD1 LEU 30 2HD1 LEU 30 -2.375 -5.332 -5.332 230 2HD1 LEU 30 1HD1 LEU 30 -2.770 -3.635 -3.635 231 3HD1 LEU 30 3HD1 LEU 30 -2.152 -4.214 -4.214 232 1HD2 LEU 30 1HD2 LEU 30 -1.008 -1.967 -1.967 233 2HD2 LEU 30 3HD2 LEU 30 0.663 -2.332 -2.332 234 3HD2 LEU 30 2HD2 LEU 30 -0.535 -2.306 -2.306 235 H ALA 31 H ALA 31 0.627 -5.625 -5.625 236 HA ALA 31 HA ALA 31 -0.358 -3.881 -3.881 237 1HB ALA 31 1HB ALA 31 2.039 -5.653 -5.653 238 2HB ALA 31 3HB ALA 31 1.026 -4.975 -4.975 239 3HB ALA 31 2HB ALA 31 0.336 -6.120 -6.120 240 H GLN 32 H GLN 32 2.997 -4.022 -4.022 241 HA GLN 32 HA GLN 32 4.065 -1.958 -1.958 242 1HB GLN 32 2HB GLN 32 4.849 -2.702 -2.702 243 2HB GLN 32 1HB GLN 32 5.856 -1.746 -1.746 244 1HG GLN 32 2HG GLN 32 5.883 -3.782 -3.782 245 2HG GLN 32 1HG GLN 32 5.037 -4.678 -4.678 246 1HE2 GLN 32 2HE2 GLN 32 8.947 -4.428 -4.428 247 2HE2 GLN 32 1HE2 GLN 32 8.117 -4.131 -4.131 248 H LEU 33 H LEU 33 2.424 -1.878 -1.878 249 HA LEU 33 HA LEU 33 2.555 1.016 1.016 250 1HB LEU 33 2HB LEU 33 1.099 -1.249 -1.249 251 2HB LEU 33 1HB LEU 33 1.061 0.399 0.399 252 HG LEU 33 HG LEU 33 2.783 -0.976 -0.976 253 1HD1 LEU 33 1HD1 LEU 33 3.838 1.310 1.310 254 2HD1 LEU 33 3HD1 LEU 33 4.622 0.728 0.728 255 3HD1 LEU 33 2HD1 LEU 33 2.999 1.403 1.403 256 1HD2 LEU 33 2HD2 LEU 33 3.543 -2.365 -2.365 257 2HD2 LEU 33 1HD2 LEU 33 4.882 -1.624 -1.624 258 3HD2 LEU 33 3HD2 LEU 33 4.367 -0.959 -0.959 259 H ASN 34 H ASN 34 0.179 -1.243 -1.243 260 HA ASN 34 HA ASN 34 -2.101 0.466 0.466 261 1HB ASN 34 2HB ASN 34 -2.058 -2.126 -2.126 262 2HB ASN 34 1HB ASN 34 -1.442 -1.644 -1.644 263 1HD2 ASN 34 2HD2 ASN 34 -4.781 -1.263 -1.263 264 2HD2 ASN 34 1HD2 ASN 34 -3.324 -2.104 -2.104 265 H GLY 35 H GLY 35 0.111 -0.380 -0.380 266 1HA GLY 35 2HA GLY 35 -0.755 1.453 1.453 267 2HA GLY 35 1HA GLY 35 0.936 0.957 0.957 268 H SER 36 H SER 36 1.812 1.937 1.937 269 HA SER 36 HA SER 36 2.164 4.710 4.710 270 1HB SER 36 2HB SER 36 3.313 4.600 4.600 271 2HB SER 36 1HB SER 36 3.895 3.460 3.460 272 HG SER 36 HG SER 36 3.244 1.903 1.903 273 H ALA 37 H ALA 37 0.028 3.051 3.051 274 HA ALA 37 HA ALA 37 -0.876 5.117 5.117 275 1HB ALA 37 1HB ALA 37 -1.798 2.694 2.694 276 2HB ALA 37 3HB ALA 37 -2.770 3.174 3.174 277 3HB ALA 37 2HB ALA 37 -2.954 3.990 3.990 278 H ASN 38 H ASN 38 -1.577 4.409 4.409 279 HA ASN 38 HA ASN 38 -3.229 6.890 6.890 280 1HB ASN 38 2HB ASN 38 -3.830 4.687 4.687 281 2HB ASN 38 1HB ASN 38 -2.459 4.965 4.965 282 1HD2 ASN 38 2HD2 ASN 38 -4.612 8.172 8.172 283 2HD2 ASN 38 1HD2 ASN 38 -3.501 8.143 8.143 284 H ALA 39 H ALA 39 -0.100 5.707 5.707 285 HA ALA 39 HA ALA 39 0.464 8.264 8.264 286 1HB ALA 39 1HB ALA 39 1.357 6.016 6.016 287 2HB ALA 39 3HB ALA 39 2.315 5.870 5.870 288 3HB ALA 39 2HB ALA 39 2.664 7.157 7.157 289 H LEU 40 H LEU 40 2.120 6.550 6.550 290 HA LEU 40 HA LEU 40 3.781 8.529 8.529 291 1HB LEU 40 2HB LEU 40 3.657 6.417 6.417 292 2HB LEU 40 1HB LEU 40 1.976 6.667 6.667 293 HG LEU 40 HG LEU 40 4.085 7.143 7.143 294 1HD1 LEU 40 2HD1 LEU 40 1.406 8.587 8.587 295 2HD1 LEU 40 1HD1 LEU 40 2.426 8.433 8.433 296 3HD1 LEU 40 3HD1 LEU 40 1.741 6.999 6.999 297 1HD2 LEU 40 3HD2 LEU 40 4.775 9.328 9.328 298 2HD2 LEU 40 2HD2 LEU 40 4.172 9.540 9.540 299 3HD2 LEU 40 1HD2 LEU 40 3.123 9.809 9.809 300 H PHE 41 H PHE 41 0.345 8.041 8.041 301 HA PHE 41 HA PHE 41 -0.355 10.197 10.197 302 1HB PHE 41 2HB PHE 41 -2.120 8.799 8.799 303 2HB PHE 41 1HB PHE 41 -1.754 9.397 9.397 304 HD1 PHE 41 HD1 PHE 41 -1.926 11.465 11.465 305 HD2 PHE 41 HD2 PHE 41 -3.828 10.358 10.358 306 HE1 PHE 41 HE1 PHE 41 -3.589 13.196 13.196 307 HE2 PHE 41 HE2 PHE 41 -5.507 12.142 12.142 308 HZ PHE 41 HZ PHE 41 -5.332 13.582 13.582 309 H ILE 42 H ILE 42 0.050 10.520 10.520 310 HA ILE 42 HA ILE 42 -0.272 13.379 13.379 311 HB ILE 42 HB ILE 42 0.563 11.157 11.157 312 1HG1 ILE 42 2HG1 ILE 42 -1.269 12.041 12.041 313 2HG1 ILE 42 1HG1 ILE 42 -1.386 13.447 13.447 314 1HG2 ILE 42 2HG2 ILE 42 0.973 14.061 14.061 315 2HG2 ILE 42 1HG2 ILE 42 1.047 12.674 12.674 316 3HG2 ILE 42 3HG2 ILE 42 2.257 12.869 12.869 317 1HD1 ILE 42 3HD1 ILE 42 -1.856 11.878 11.878 318 2HD1 ILE 42 2HD1 ILE 42 -1.830 10.537 10.537 319 3HD1 ILE 42 1HD1 ILE 42 -2.937 11.886 11.886 320 H SER 43 H SER 43 2.144 11.330 11.330 321 HA SER 43 HA SER 43 4.408 13.023 13.023 322 1HB SER 43 2HB SER 43 4.470 10.294 10.294 323 2HB SER 43 1HB SER 43 5.812 11.015 11.015 324 HG SER 43 HG SER 43 3.724 10.984 10.984 325 H TYR 44 H TYR 44 2.671 12.175 12.175 326 HA TYR 44 HA TYR 44 4.458 13.211 13.211 327 1HB TYR 44 2HB TYR 44 3.382 11.400 11.400 328 2HB TYR 44 1HB TYR 44 1.997 11.496 11.496 329 HD1 TYR 44 HD2 TYR 44 3.512 13.497 13.497 330 HD2 TYR 44 HD1 TYR 44 -0.038 11.977 11.977 331 HE1 TYR 44 HE2 TYR 44 2.366 14.570 14.570 332 HE2 TYR 44 HE1 TYR 44 -1.271 12.980 12.980 333 HH TYR 44 HH TYR 44 0.007 15.560 15.560 334 H TYR 45 H TYR 45 1.110 13.811 13.811 335 HA TYR 45 HA TYR 45 1.033 16.276 16.276 336 1HB TYR 45 2HB TYR 45 -1.208 16.540 16.540 337 2HB TYR 45 1HB TYR 45 -1.034 14.821 14.821 338 HD1 TYR 45 HD2 TYR 45 -0.455 17.578 17.578 339 HD2 TYR 45 HD1 TYR 45 -2.153 13.702 13.702 340 HE1 TYR 45 HE2 TYR 45 -1.252 17.563 17.563 341 HE2 TYR 45 HE1 TYR 45 -2.957 13.733 13.733 342 HH TYR 45 HH TYR 45 -2.321 16.347 16.347 343 H THR 46 H THR 46 1.866 15.714 15.714 344 HA THR 46 HA THR 46 1.736 18.431 18.431 345 HB THR 46 HB THR 46 3.678 17.747 17.747 346 HG1 THR 46 HG1 THR 46 4.813 16.089 16.089 347 1HG2 THR 46 3HG2 THR 46 1.403 15.702 15.702 348 2HG2 THR 46 2HG2 THR 46 2.420 15.940 15.940 349 3HG2 THR 46 1HG2 THR 46 1.308 17.195 17.195 350 H ALA 47 H ALA 47 4.266 16.685 16.685 351 HA ALA 47 HA ALA 47 6.219 18.692 18.692 352 1HB ALA 47 3HB ALA 47 6.567 16.392 16.392 353 2HB ALA 47 2HB ALA 47 5.437 16.765 16.765 354 3HB ALA 47 1HB ALA 47 6.978 17.611 17.611 355 H GLN 48 H GLN 48 3.172 18.509 18.509 356 HA GLN 48 HA GLN 48 3.961 20.534 20.534 357 1HB GLN 48 2HB GLN 48 1.331 19.396 19.396 358 2HB GLN 48 1HB GLN 48 1.314 20.807 20.807 359 1HG GLN 48 2HG GLN 48 1.220 19.056 19.056 360 2HG GLN 48 1HG GLN 48 2.950 19.271 19.271 361 1HE2 GLN 48 2HE2 GLN 48 3.461 16.284 16.284 362 2HE2 GLN 48 1HE2 GLN 48 4.075 17.856 17.856 363 H GLY 49 H GLY 49 2.576 20.716 20.716 364 1HA GLY 49 2HA GLY 49 2.536 22.558 22.558 365 2HA GLY 49 1HA GLY 49 3.165 23.563 23.563 366 H GLU 50 H GLU 50 1.040 23.908 23.908 367 HA GLU 50 HA GLU 50 -1.568 23.787 23.787 368 1HB GLU 50 2HB GLU 50 -0.348 26.468 26.468 369 2HB GLU 50 1HB GLU 50 -1.933 25.902 25.902 370 1HG GLU 50 2HG GLU 50 -0.657 25.637 25.637 371 2HG GLU 50 1HG GLU 50 -0.612 24.014 24.014 372 HA PRO 51 HA PRO 51 -3.640 25.298 25.298 373 1HB PRO 51 2HB PRO 51 -5.713 25.009 25.009 374 2HB PRO 51 1HB PRO 51 -5.112 26.604 26.604 375 1HG PRO 51 2HG PRO 51 -4.310 24.959 24.959 376 2HG PRO 51 1HG PRO 51 -4.853 26.641 26.641 377 1HD PRO 51 2HD PRO 51 -2.192 26.145 26.145 378 2HD PRO 51 1HD PRO 51 -2.811 27.400 27.400 379 H PHE 52 H PHE 52 -3.426 23.299 23.299 380 HA PHE 52 HA PHE 52 -4.133 21.060 21.060 381 1HB PHE 52 2HB PHE 52 -1.419 21.840 21.840 382 2HB PHE 52 1HB PHE 52 -1.383 20.547 20.547 383 HD1 PHE 52 HD2 PHE 52 -3.792 18.993 18.993 384 HD2 PHE 52 HD1 PHE 52 -0.352 20.596 20.596 385 HE1 PHE 52 HE2 PHE 52 -4.001 17.355 17.355 386 HE2 PHE 52 HE1 PHE 52 -0.595 18.828 18.828 387 HZ PHE 52 HZ PHE 52 -2.420 17.217 17.217 388 HA PRO 53 HA PRO 53 -2.991 18.623 18.623 389 1HB PRO 53 2HB PRO 53 -1.851 19.519 19.519 390 2HB PRO 53 1HB PRO 53 -0.862 19.363 19.363 391 1HG PRO 53 2HG PRO 53 -2.299 21.864 21.864 392 2HG PRO 53 1HG PRO 53 -0.604 21.711 21.711 393 1HD PRO 53 2HD PRO 53 -2.389 22.685 22.685 394 2HD PRO 53 1HD PRO 53 -1.088 21.598 21.598 395 H ASN 54 H ASN 54 -4.855 21.028 21.028 396 HA ASN 54 HA ASN 54 -6.580 20.024 20.024 397 1HB ASN 54 2HB ASN 54 -5.533 22.319 22.319 398 2HB ASN 54 1HB ASN 54 -6.459 22.908 22.908 399 1HD2 ASN 54 2HD2 ASN 54 -9.357 21.995 21.995 400 2HD2 ASN 54 1HD2 ASN 54 -8.746 20.897 20.897 401 H ASN 55 H ASN 55 -6.478 20.952 20.952 402 HA ASN 55 HA ASN 55 -9.412 20.365 20.365 403 1HB ASN 55 2HB ASN 55 -7.735 22.107 22.107 404 2HB ASN 55 1HB ASN 55 -9.472 21.847 21.847 405 1HD2 ASN 55 2HD2 ASN 55 -8.237 24.842 24.842 406 2HD2 ASN 55 1HD2 ASN 55 -7.213 24.107 24.107 407 H LEU 56 H LEU 56 -6.834 18.780 18.780 408 HA LEU 56 HA LEU 56 -6.572 17.869 17.869 409 1HB LEU 56 2HB LEU 56 -5.365 15.948 15.948 410 2HB LEU 56 1HB LEU 56 -5.012 17.325 17.325 411 HG LEU 56 HG LEU 56 -7.049 16.517 16.517 412 1HD1 LEU 56 2HD1 LEU 56 -7.769 14.657 14.657 413 2HD1 LEU 56 1HD1 LEU 56 -6.209 13.990 13.990 414 3HD1 LEU 56 3HD1 LEU 56 -7.378 14.040 14.040 415 1HD2 LEU 56 2HD2 LEU 56 -4.689 16.377 16.377 416 2HD2 LEU 56 1HD2 LEU 56 -5.684 15.061 15.061 417 3HD2 LEU 56 3HD2 LEU 56 -4.647 14.793 14.793 418 H ASP 57 H ASP 57 -8.547 16.929 16.929 419 HA ASP 57 HA ASP 57 -9.940 14.855 14.855 420 1HB ASP 57 2HB ASP 57 -11.062 17.223 17.223 421 2HB ASP 57 1HB ASP 57 -11.899 15.682 15.682 422 H LYS 58 H LYS 58 -10.504 18.132 18.132 423 HA LYS 58 HA LYS 58 -12.731 17.251 17.251 424 1HB LYS 58 2HB LYS 58 -13.104 19.164 19.164 425 2HB LYS 58 1HB LYS 58 -11.743 20.005 20.005 426 1HG LYS 58 2HG LYS 58 -13.950 20.854 20.854 427 2HG LYS 58 1HG LYS 58 -12.875 20.325 20.325 428 1HD LYS 58 2HD LYS 58 -14.067 18.419 18.419 429 2HD LYS 58 1HD LYS 58 -14.816 18.243 18.243 430 1HE LYS 58 2HE LYS 58 -15.431 20.493 20.493 431 2HE LYS 58 1HE LYS 58 -16.426 19.058 19.058 432 1HZ LYS 58 1HZ LYS 58 -15.837 20.097 20.097 433 2HZ LYS 58 3HZ LYS 58 -16.395 21.402 21.402 434 3HZ LYS 58 2HZ LYS 58 -17.353 20.015 20.015 435 H LEU 59 H LEU 59 -9.455 18.052 18.052 436 HA LEU 59 HA LEU 59 -9.523 18.469 18.469 437 1HB LEU 59 2HB LEU 59 -7.413 19.230 19.230 438 2HB LEU 59 1HB LEU 59 -7.298 19.347 19.347 439 HG LEU 59 HG LEU 59 -8.241 21.336 21.336 440 1HD1 LEU 59 2HD1 LEU 59 -10.522 20.371 20.371 441 2HD1 LEU 59 1HD1 LEU 59 -10.433 20.498 20.498 442 3HD1 LEU 59 3HD1 LEU 59 -10.433 21.943 21.943 443 1HD2 LEU 59 2HD2 LEU 59 -6.988 21.698 21.698 444 2HD2 LEU 59 1HD2 LEU 59 -8.436 22.677 22.677 445 3HD2 LEU 59 3HD2 LEU 59 -8.432 21.174 21.174 446 H CYS 60 H CYS 60 -9.012 15.946 15.946 447 HA CYS 60 HA CYS 60 -6.932 14.644 14.644 448 1HB CYS 60 2HB CYS 60 -7.340 14.268 14.268 449 2HB CYS 60 1HB CYS 60 -6.122 13.552 13.552 450 H GLY 61 H GLY 61 -9.944 14.798 14.798 451 1HA GLY 61 2HA GLY 61 -11.876 13.395 13.395 452 2HA GLY 61 1HA GLY 61 -11.055 12.749 12.749 453 HA PRO 62 HA PRO 62 -9.617 9.799 9.799 454 1HB PRO 62 2HB PRO 62 -10.209 10.255 10.255 455 2HB PRO 62 1HB PRO 62 -8.903 11.127 11.127 456 1HG PRO 62 2HG PRO 62 -11.859 12.013 12.013 457 2HG PRO 62 1HG PRO 62 -10.443 12.895 12.895 458 1HD PRO 62 2HD PRO 62 -11.380 13.497 13.497 459 2HD PRO 62 1HD PRO 62 -9.655 13.291 13.291 460 H ASN 63 H ASN 63 -11.748 9.370 9.370 461 HA ASN 63 HA ASN 63 -13.268 7.439 7.439 462 1HB ASN 63 2HB ASN 63 -14.539 9.586 9.586 463 2HB ASN 63 1HB ASN 63 -15.431 8.244 8.244 464 1HD2 ASN 63 2HD2 ASN 63 -14.214 11.345 11.345 465 2HD2 ASN 63 1HD2 ASN 63 -13.583 11.214 11.214 466 H VAL 64 H VAL 64 -14.274 8.308 8.308 467 HA VAL 64 HA VAL 64 -13.032 5.941 5.941 468 HB VAL 64 HB VAL 64 -15.860 7.049 7.049 469 1HG1 VAL 64 1HG1 VAL 64 -14.985 5.927 5.927 470 2HG1 VAL 64 3HG1 VAL 64 -14.629 4.487 4.487 471 3HG1 VAL 64 2HG1 VAL 64 -16.288 5.004 5.004 472 1HG2 VAL 64 1HG2 VAL 64 -14.933 4.531 4.531 473 2HG2 VAL 64 3HG2 VAL 64 -15.635 5.959 5.959 474 3HG2 VAL 64 2HG2 VAL 64 -16.614 4.954 4.954 475 H THR 65 H THR 65 -13.900 9.312 9.312 476 HA THR 65 HA THR 65 -13.621 10.964 10.964 477 HB THR 65 HB THR 65 -11.094 10.444 10.444 478 HG1 THR 65 HG1 THR 65 -10.872 12.001 12.001 479 1HG2 THR 65 3HG2 THR 65 -10.855 8.205 8.205 480 2HG2 THR 65 2HG2 THR 65 -10.842 9.270 9.270 481 3HG2 THR 65 1HG2 THR 65 -9.623 9.433 9.433 482 H ASP 66 H ASP 66 -12.210 10.353 10.353 483 HA ASP 66 HA ASP 66 -14.452 8.970 8.970 484 1HB ASP 66 2HB ASP 66 -12.377 11.013 11.013 485 2HB ASP 66 1HB ASP 66 -13.556 10.266 10.266 486 H PHE 67 H PHE 67 -12.499 7.412 7.412 487 HA PHE 67 HA PHE 67 -10.625 6.428 6.428 488 1HB PHE 67 2HB PHE 67 -9.193 5.896 5.896 489 2HB PHE 67 1HB PHE 67 -10.189 6.846 6.846 490 HD1 PHE 67 HD1 PHE 67 -12.441 5.377 5.377 491 HD2 PHE 67 HD2 PHE 67 -8.615 3.807 3.807 492 HE1 PHE 67 HE1 PHE 67 -12.886 3.494 3.494 493 HE2 PHE 67 HE2 PHE 67 -9.074 1.903 1.903 494 HZ PHE 67 HZ PHE 67 -11.209 1.756 1.756 495 HA PRO 68 HA PRO 68 -12.889 2.746 2.746 496 1HB PRO 68 2HB PRO 68 -11.086 0.706 0.706 497 2HB PRO 68 1HB PRO 68 -11.067 1.801 1.801 498 1HG PRO 68 2HG PRO 68 -9.531 2.092 2.092 499 2HG PRO 68 1HG PRO 68 -8.833 2.119 2.119 500 1HD PRO 68 2HD PRO 68 -9.380 4.468 4.468 501 2HD PRO 68 1HD PRO 68 -9.979 4.259 4.259 502 HA PRO 69 HA PRO 69 -14.164 1.918 1.918 503 1HB PRO 69 2HB PRO 69 -16.528 0.571 0.571 504 2HB PRO 69 1HB PRO 69 -16.413 2.322 2.322 505 1HG PRO 69 2HG PRO 69 -16.138 0.698 0.698 506 2HG PRO 69 1HG PRO 69 -17.143 2.131 2.131 507 1HD PRO 69 2HD PRO 69 -14.784 2.448 2.448 508 2HD PRO 69 1HD PRO 69 -15.168 3.597 3.597 509 H PHE 70 H PHE 70 -13.466 0.241 0.241 510 HA PHE 70 HA PHE 70 -12.872 -2.378 -2.378 511 1HB PHE 70 2HB PHE 70 -11.006 -0.980 -0.980 512 2HB PHE 70 1HB PHE 70 -11.874 -1.388 -1.388 513 HD1 PHE 70 HD2 PHE 70 -12.087 -3.854 -3.854 514 HD2 PHE 70 HD1 PHE 70 -9.604 -2.608 -2.608 515 HE1 PHE 70 HE2 PHE 70 -10.938 -6.034 -6.034 516 HE2 PHE 70 HE1 PHE 70 -8.478 -4.764 -4.764 517 HZ PHE 70 HZ PHE 70 -9.108 -6.462 -6.462 518 H HIS 71 H HIS 71 -14.613 -3.767 -3.767 519 HA HIS 71 HA HIS 71 -15.974 -3.426 -3.426 520 1HB HIS 71 2HB HIS 71 -18.098 -4.083 -4.083 521 2HB HIS 71 1HB HIS 71 -17.442 -2.493 -2.493 522 HD1 HIS 71 HD1 HIS 71 -17.040 -5.947 -5.947 523 HD2 HIS 71 HD2 HIS 71 -17.165 -2.107 -2.107 524 HE1 HIS 71 HE1 HIS 71 -16.868 -6.070 -6.070 525 H ALA 72 H ALA 72 -14.354 -4.982 -4.982 526 HA ALA 72 HA ALA 72 -13.723 -7.474 -7.474 527 1HB ALA 72 3HB ALA 72 -13.132 -6.537 -6.537 528 2HB ALA 72 2HB ALA 72 -14.807 -6.771 -6.771 529 3HB ALA 72 1HB ALA 72 -13.798 -8.160 -8.160 530 H ASN 73 H ASN 73 -15.472 -8.072 -8.072 531 HA ASN 73 HA ASN 73 -17.718 -9.451 -9.451 532 1HB ASN 73 2HB ASN 73 -18.138 -7.940 -7.940 533 2HB ASN 73 1HB ASN 73 -17.140 -8.996 -8.996 534 1HD2 ASN 73 2HD2 ASN 73 -19.756 -11.490 -11.490 535 2HD2 ASN 73 1HD2 ASN 73 -18.061 -11.317 -11.317 536 H GLY 74 H GLY 74 -15.710 -10.312 -10.312 537 1HA GLY 74 2HA GLY 74 -13.887 -11.936 -11.936 538 2HA GLY 74 1HA GLY 74 -15.330 -12.931 -12.931 539 H THR 75 H THR 75 -13.836 -11.164 -11.164 540 HA THR 75 HA THR 75 -13.680 -13.637 -13.637 541 HB THR 75 HB THR 75 -13.587 -11.554 -11.554 542 HG1 THR 75 HG1 THR 75 -15.653 -10.906 -10.906 543 1HG2 THR 75 3HG2 THR 75 -16.029 -12.924 -12.924 544 2HG2 THR 75 2HG2 THR 75 -15.853 -12.100 -12.100 545 3HG2 THR 75 1HG2 THR 75 -14.925 -13.561 -13.561 546 H GLU 76 H GLU 76 -11.898 -14.119 -14.119 547 HA GLU 76 HA GLU 76 -9.520 -12.702 -12.702 548 1HB GLU 76 2HB GLU 76 -10.189 -15.355 -15.355 549 2HB GLU 76 1HB GLU 76 -9.002 -14.755 -14.755 550 1HG GLU 76 2HG GLU 76 -8.154 -15.994 -15.994 551 2HG GLU 76 1HG GLU 76 -7.372 -14.458 -14.458 552 H LYS 77 H LYS 77 -10.770 -13.454 -13.454 553 HA LYS 77 HA LYS 77 -9.234 -11.656 -11.656 554 1HB LYS 77 2HB LYS 77 -10.942 -12.873 -12.873 555 2HB LYS 77 1HB LYS 77 -12.247 -12.186 -12.186 556 1HG LYS 77 2HG LYS 77 -11.337 -9.856 -9.856 557 2HG LYS 77 1HG LYS 77 -10.521 -10.924 -10.924 558 1HD LYS 77 2HD LYS 77 -12.399 -11.578 -11.578 559 2HD LYS 77 1HD LYS 77 -13.394 -11.637 -11.637 560 1HE LYS 77 2HE LYS 77 -12.577 -9.095 -9.095 561 2HE LYS 77 1HE LYS 77 -14.176 -9.808 -9.808 562 1HZ LYS 77 1HZ LYS 77 -13.308 -9.460 -9.460 563 2HZ LYS 77 3HZ LYS 77 -13.084 -8.001 -8.001 564 3HZ LYS 77 2HZ LYS 77 -14.610 -8.714 -8.714 565 H ALA 78 H ALA 78 -12.222 -10.761 -10.761 566 HA ALA 78 HA ALA 78 -11.804 -7.969 -7.969 567 1HB ALA 78 2HB ALA 78 -14.063 -8.809 -8.809 568 2HB ALA 78 1HB ALA 78 -13.402 -9.087 -9.087 569 3HB ALA 78 3HB ALA 78 -13.522 -7.461 -7.461 570 H LYS 79 H LYS 79 -10.987 -9.751 -9.751 571 HA LYS 79 HA LYS 79 -10.192 -7.421 -7.421 572 1HB LYS 79 2HB LYS 79 -9.286 -10.322 -10.322 573 2HB LYS 79 1HB LYS 79 -8.803 -9.081 -9.081 574 1HG LYS 79 2HG LYS 79 -11.160 -8.540 -8.540 575 2HG LYS 79 1HG LYS 79 -11.769 -9.723 -9.723 576 1HD LYS 79 2HD LYS 79 -9.944 -10.284 -10.284 577 2HD LYS 79 1HD LYS 79 -11.684 -10.490 -10.490 578 1HE LYS 79 2HE LYS 79 -11.600 -12.381 -12.381 579 2HE LYS 79 1HE LYS 79 -10.016 -11.968 -11.968 580 1HZ LYS 79 2HZ LYS 79 -9.761 -12.288 -12.288 581 2HZ LYS 79 1HZ LYS 79 -10.590 -13.652 -13.652 582 3HZ LYS 79 3HZ LYS 79 -9.123 -13.224 -13.224 583 H LEU 80 H LEU 80 -8.428 -9.726 -9.726 584 HA LEU 80 HA LEU 80 -5.869 -8.425 -8.425 585 1HB LEU 80 2HB LEU 80 -7.151 -10.516 -10.516 586 2HB LEU 80 1HB LEU 80 -5.613 -9.849 -9.849 587 HG LEU 80 HG LEU 80 -4.696 -10.568 -10.568 588 1HD1 LEU 80 2HD1 LEU 80 -6.889 -10.833 -10.833 589 2HD1 LEU 80 1HD1 LEU 80 -7.292 -12.169 -12.169 590 3HD1 LEU 80 3HD1 LEU 80 -5.959 -12.308 -12.308 591 1HD2 LEU 80 3HD2 LEU 80 -5.804 -12.717 -12.717 592 2HD2 LEU 80 2HD2 LEU 80 -4.257 -11.896 -11.896 593 3HD2 LEU 80 1HD2 LEU 80 -4.520 -12.968 -12.968 594 H VAL 81 H VAL 81 -8.054 -8.631 -8.631 595 HA VAL 81 HA VAL 81 -6.867 -6.679 -6.679 596 HB VAL 81 HB VAL 81 -9.833 -7.444 -7.444 597 1HG1 VAL 81 3HG1 VAL 81 -8.726 -5.548 -5.548 598 2HG1 VAL 81 2HG1 VAL 81 -10.318 -6.282 -6.282 599 3HG1 VAL 81 1HG1 VAL 81 -9.892 -5.180 -5.180 600 1HG2 VAL 81 2HG2 VAL 81 -8.336 -9.170 -9.170 601 2HG2 VAL 81 1HG2 VAL 81 -9.482 -8.567 -8.567 602 3HG2 VAL 81 3HG2 VAL 81 -7.820 -8.004 -8.004 603 H GLU 82 H GLU 82 -9.390 -6.051 -6.051 604 HA GLU 82 HA GLU 82 -9.474 -3.251 -3.251 605 1HB GLU 82 2HB GLU 82 -11.056 -4.970 -4.970 606 2HB GLU 82 1HB GLU 82 -10.325 -4.298 -4.298 607 1HG GLU 82 2HG GLU 82 -12.479 -3.222 -3.222 608 2HG GLU 82 1HG GLU 82 -11.206 -2.040 -2.040 609 H LEU 83 H LEU 83 -7.669 -5.154 -5.154 610 HA LEU 83 HA LEU 83 -6.438 -3.028 -3.028 611 1HB LEU 83 2HB LEU 83 -6.432 -5.381 -5.381 612 2HB LEU 83 1HB LEU 83 -5.564 -5.916 -5.916 613 HG LEU 83 HG LEU 83 -4.269 -5.803 -5.803 614 1HD1 LEU 83 1HD1 LEU 83 -3.106 -4.314 -4.314 615 2HD1 LEU 83 3HD1 LEU 83 -2.249 -5.012 -5.012 616 3HD1 LEU 83 2HD1 LEU 83 -3.149 -6.049 -6.049 617 1HD2 LEU 83 2HD2 LEU 83 -5.307 -3.742 -3.742 618 2HD2 LEU 83 1HD2 LEU 83 -3.572 -3.555 -3.555 619 3HD2 LEU 83 3HD2 LEU 83 -4.504 -2.818 -2.818 620 H TYR 84 H TYR 84 -5.268 -5.028 -5.028 621 HA TYR 84 HA TYR 84 -2.977 -3.921 -3.921 622 1HB TYR 84 2HB TYR 84 -4.158 -5.927 -5.927 623 2HB TYR 84 1HB TYR 84 -5.254 -4.947 -4.947 624 HD1 TYR 84 HD1 TYR 84 -4.124 -3.182 -3.182 625 HD2 TYR 84 HD2 TYR 84 -2.153 -6.489 -6.489 626 HE1 TYR 84 HE1 TYR 84 -2.500 -3.046 -3.046 627 HE2 TYR 84 HE2 TYR 84 -0.517 -6.424 -6.424 628 HH TYR 84 HH TYR 84 -0.259 -5.590 -5.590 629 H ARG 85 H ARG 85 -5.777 -3.289 -3.289 630 HA ARG 85 HA ARG 85 -5.039 -0.996 -0.996 631 1HB ARG 85 2HB ARG 85 -7.113 -2.280 -2.280 632 2HB ARG 85 1HB ARG 85 -7.809 -1.759 -1.759 633 1HG ARG 85 2HG ARG 85 -8.159 0.447 0.447 634 2HG ARG 85 1HG ARG 85 -6.932 0.351 0.351 635 1HD ARG 85 2HD ARG 85 -9.527 0.226 0.226 636 2HD ARG 85 1HD ARG 85 -8.297 -0.625 -0.625 637 HE ARG 85 HE ARG 85 -9.291 -2.641 -2.641 638 1HH1 ARG 85 2HH1 ARG 85 -10.021 -0.125 -0.125 639 2HH1 ARG 85 1HH1 ARG 85 -11.247 -0.904 -0.904 640 1HH2 ARG 85 1HH2 ARG 85 -10.981 -3.876 -3.876 641 2HH2 ARG 85 2HH2 ARG 85 -11.728 -3.103 -3.103 642 H MET 86 H MET 86 -6.607 -1.100 -1.100 643 HA MET 86 HA MET 86 -6.787 1.621 1.621 644 1HB MET 86 2HB MET 86 -7.883 -0.019 -0.019 645 2HB MET 86 1HB MET 86 -6.367 -0.707 -0.707 646 1HG MET 86 2HG MET 86 -7.430 2.024 2.024 647 2HG MET 86 1HG MET 86 -7.378 0.640 0.640 648 1HE MET 86 2HE MET 86 -5.726 -0.427 -0.427 649 2HE MET 86 1HE MET 86 -4.036 -0.257 -0.257 650 3HE MET 86 3HE MET 86 -4.687 0.568 0.568 651 H VAL 87 H VAL 87 -4.163 -0.547 -0.547 652 HA VAL 87 HA VAL 87 -2.378 1.227 1.227 653 HB VAL 87 HB VAL 87 -2.315 -1.447 -1.447 654 1HG1 VAL 87 3HG1 VAL 87 0.092 -0.080 -0.080 655 2HG1 VAL 87 2HG1 VAL 87 0.086 -1.791 -1.791 656 3HG1 VAL 87 1HG1 VAL 87 -0.071 -0.577 -0.577 657 1HG2 VAL 87 1HG2 VAL 87 -2.014 -0.836 -0.836 658 2HG2 VAL 87 3HG2 VAL 87 -3.358 -1.584 -1.584 659 3HG2 VAL 87 2HG2 VAL 87 -1.829 -2.432 -2.432 660 H ALA 88 H ALA 88 -3.183 0.296 0.296 661 HA ALA 88 HA ALA 88 -0.627 1.276 1.276 662 1HB ALA 88 3HB ALA 88 -3.261 0.390 0.390 663 2HB ALA 88 2HB ALA 88 -1.731 0.616 0.616 664 3HB ALA 88 1HB ALA 88 -1.890 -0.586 -0.586 665 H TYR 89 H TYR 89 -4.018 2.502 2.502 666 HA TYR 89 HA TYR 89 -3.129 5.028 5.028 667 1HB TYR 89 2HB TYR 89 -5.391 5.796 5.796 668 2HB TYR 89 1HB TYR 89 -5.688 4.066 4.066 669 HD1 TYR 89 HD2 TYR 89 -6.093 2.983 2.983 670 HD2 TYR 89 HD1 TYR 89 -5.645 7.190 7.190 671 HE1 TYR 89 HE2 TYR 89 -6.915 3.229 3.229 672 HE2 TYR 89 HE1 TYR 89 -6.472 7.386 7.386 673 HH TYR 89 HH TYR 89 -6.843 4.803 4.803 674 H LEU 90 H LEU 90 -3.401 3.742 3.742 675 HA LEU 90 HA LEU 90 -2.962 6.241 6.241 676 1HB LEU 90 2HB LEU 90 -4.061 4.304 4.304 677 2HB LEU 90 1HB LEU 90 -2.592 3.365 3.365 678 HG LEU 90 HG LEU 90 -3.261 4.259 4.259 679 1HD1 LEU 90 3HD1 LEU 90 -0.925 3.429 3.429 680 2HD1 LEU 90 2HD1 LEU 90 -0.454 5.030 5.030 681 3HD1 LEU 90 1HD1 LEU 90 -0.921 4.785 4.785 682 1HD2 LEU 90 1HD2 LEU 90 -3.905 6.478 6.478 683 2HD2 LEU 90 3HD2 LEU 90 -2.591 6.543 6.543 684 3HD2 LEU 90 2HD2 LEU 90 -2.272 6.875 6.875 685 H SER 91 H SER 91 -0.760 3.431 3.431 686 HA SER 91 HA SER 91 1.503 4.894 4.894 687 1HB SER 91 2HB SER 91 2.986 3.338 3.338 688 2HB SER 91 1HB SER 91 1.637 2.537 2.537 689 HG SER 91 HG SER 91 2.218 2.554 2.554 690 H ALA 92 H ALA 92 0.137 5.021 5.021 691 HA ALA 92 HA ALA 92 2.266 6.336 6.336 692 1HB ALA 92 3HB ALA 92 -0.762 6.590 6.590 693 2HB ALA 92 2HB ALA 92 0.466 7.052 7.052 694 3HB ALA 92 1HB ALA 92 0.260 5.361 5.361 695 H SER 93 H SER 93 -0.554 7.579 7.579 696 HA SER 93 HA SER 93 0.019 10.403 10.403 697 1HB SER 93 2HB SER 93 -1.390 8.902 8.902 698 2HB SER 93 1HB SER 93 -1.626 10.603 10.603 699 HG SER 93 HG SER 93 -2.604 8.304 8.304 700 H LEU 94 H LEU 94 0.639 8.063 8.063 701 HA LEU 94 HA LEU 94 2.167 9.405 9.405 702 1HB LEU 94 2HB LEU 94 1.428 6.780 6.780 703 2HB LEU 94 1HB LEU 94 3.173 6.693 6.693 704 HG LEU 94 HG LEU 94 3.267 7.560 7.560 705 1HD1 LEU 94 2HD1 LEU 94 0.191 7.291 7.291 706 2HD1 LEU 94 1HD1 LEU 94 1.122 7.662 7.662 707 3HD1 LEU 94 3HD1 LEU 94 1.000 8.844 8.844 708 1HD2 LEU 94 3HD2 LEU 94 3.176 5.140 5.140 709 2HD2 LEU 94 2HD2 LEU 94 2.332 5.547 5.547 710 3HD2 LEU 94 1HD2 LEU 94 1.425 5.168 5.168 711 H THR 95 H THR 95 3.330 7.856 7.856 712 HA THR 95 HA THR 95 6.110 8.465 8.465 713 HB THR 95 HB THR 95 4.412 7.703 7.703 714 HG1 THR 95 HG1 THR 95 4.637 6.035 6.035 715 1HG2 THR 95 2HG2 THR 95 7.488 7.713 7.713 716 2HG2 THR 95 1HG2 THR 95 6.702 7.260 7.260 717 3HG2 THR 95 3HG2 THR 95 6.749 8.939 8.939 718 H ASN 96 H ASN 96 3.747 9.875 9.875 719 HA ASN 96 HA ASN 96 5.169 11.995 11.995 720 1HB ASN 96 2HB ASN 96 2.884 11.583 11.583 721 2HB ASN 96 1HB ASN 96 2.294 11.613 11.613 722 1HD2 ASN 96 2HD2 ASN 96 1.896 15.074 15.074 723 2HD2 ASN 96 1HD2 ASN 96 2.268 13.732 13.732 724 H ILE 97 H ILE 97 3.478 11.970 11.970 725 HA ILE 97 HA ILE 97 4.366 14.508 14.508 726 HB ILE 97 HB ILE 97 3.631 11.957 11.957 727 1HG1 ILE 97 2HG1 ILE 97 1.890 14.370 14.370 728 2HG1 ILE 97 1HG1 ILE 97 1.887 12.901 12.901 729 1HG2 ILE 97 2HG2 ILE 97 4.793 13.715 13.715 730 2HG2 ILE 97 1HG2 ILE 97 3.590 14.880 14.880 731 3HG2 ILE 97 3HG2 ILE 97 3.123 13.530 13.530 732 1HD1 ILE 97 2HD1 ILE 97 1.155 11.603 11.603 733 2HD1 ILE 97 1HD1 ILE 97 1.150 13.098 13.098 734 3HD1 ILE 97 3HD1 ILE 97 0.040 12.883 12.883 735 H THR 98 H THR 98 5.589 11.287 11.287 736 HA THR 98 HA THR 98 7.764 11.591 11.591 737 HB THR 98 HB THR 98 7.743 9.907 9.907 738 HG1 THR 98 HG1 THR 98 6.215 9.357 9.357 739 1HG2 THR 98 1HG2 THR 98 10.089 10.189 10.189 740 2HG2 THR 98 3HG2 THR 98 9.543 9.533 9.533 741 3HG2 THR 98 2HG2 THR 98 9.451 8.557 8.557 742 H ARG 99 H ARG 99 7.868 12.287 12.287 743 HA ARG 99 HA ARG 99 10.611 13.230 13.230 744 1HB ARG 99 2HB ARG 99 9.567 12.101 12.101 745 2HB ARG 99 1HB ARG 99 8.311 13.318 13.318 746 1HG ARG 99 2HG ARG 99 10.089 15.057 15.057 747 2HG ARG 99 1HG ARG 99 11.282 13.760 13.760 748 1HD ARG 99 2HD ARG 99 9.926 12.688 12.688 749 2HD ARG 99 1HD ARG 99 8.783 13.998 13.998 750 HE ARG 99 HE ARG 99 10.367 15.585 15.585 751 1HH1 ARG 99 2HH1 ARG 99 11.495 12.335 12.335 752 2HH1 ARG 99 1HH1 ARG 99 12.677 12.643 12.643 753 1HH2 ARG 99 1HH2 ARG 99 11.891 16.085 16.085 754 2HH2 ARG 99 2HH2 ARG 99 12.917 14.883 14.883 755 H ASP 100 H ASP 100 7.660 15.019 15.019 756 HA ASP 100 HA ASP 100 8.797 17.556 17.556 757 1HB ASP 100 2HB ASP 100 5.936 16.578 16.578 758 2HB ASP 100 1HB ASP 100 6.378 18.274 18.274 759 H GLN 101 H GLN 101 7.913 15.516 15.516 760 HA GLN 101 HA GLN 101 7.862 17.789 17.789 761 1HB GLN 101 2HB GLN 101 7.010 14.917 14.917 762 2HB GLN 101 1HB GLN 101 7.743 15.517 15.517 763 1HG GLN 101 2HG GLN 101 5.281 15.865 15.865 764 2HG GLN 101 1HG GLN 101 6.133 17.385 17.385 765 1HE2 GLN 101 2HE2 GLN 101 4.743 17.049 17.049 766 2HE2 GLN 101 1HE2 GLN 101 5.989 16.011 16.011 767 H LYS 102 H LYS 102 9.895 14.953 14.953 768 HA LYS 102 HA LYS 102 11.703 15.416 15.416 769 1HB LYS 102 2HB LYS 102 13.374 14.065 14.065 770 2HB LYS 102 1HB LYS 102 11.818 13.398 13.398 771 1HG LYS 102 2HG LYS 102 11.988 14.561 14.561 772 2HG LYS 102 1HG LYS 102 13.475 15.337 15.337 773 1HD LYS 102 2HD LYS 102 13.863 13.434 13.434 774 2HD LYS 102 1HD LYS 102 14.664 13.217 13.217 775 1HE LYS 102 2HE LYS 102 11.879 12.055 12.055 776 2HE LYS 102 1HE LYS 102 13.218 11.237 11.237 777 1HZ LYS 102 1HZ LYS 102 13.937 11.795 11.795 778 2HZ LYS 102 3HZ LYS 102 12.438 11.066 11.066 779 3HZ LYS 102 2HZ LYS 102 13.727 10.272 10.272 780 H VAL 103 H VAL 103 11.063 17.007 17.007 781 HA VAL 103 HA VAL 103 13.512 18.703 18.703 782 HB VAL 103 HB VAL 103 11.304 18.818 18.818 783 1HG1 VAL 103 2HG1 VAL 103 14.141 19.961 19.961 784 2HG1 VAL 103 1HG1 VAL 103 12.998 20.067 20.067 785 3HG1 VAL 103 3HG1 VAL 103 12.671 20.897 20.897 786 1HG2 VAL 103 3HG2 VAL 103 13.992 17.371 17.371 787 2HG2 VAL 103 2HG2 VAL 103 12.407 16.611 16.611 788 3HG2 VAL 103 1HG2 VAL 103 12.868 17.534 17.534 789 H LEU 104 H LEU 104 10.033 18.923 18.923 790 HA LEU 104 HA LEU 104 9.904 21.737 21.737 791 1HB LEU 104 2HB LEU 104 7.800 20.423 20.423 792 2HB LEU 104 1HB LEU 104 8.081 19.671 19.671 793 HG LEU 104 HG LEU 104 7.923 21.987 21.987 794 1HD1 LEU 104 1HD1 LEU 104 8.388 23.334 23.334 795 2HD1 LEU 104 3HD1 LEU 104 6.882 22.791 22.791 796 3HD1 LEU 104 2HD1 LEU 104 6.864 23.777 23.777 797 1HD2 LEU 104 1HD2 LEU 104 6.046 20.391 20.391 798 2HD2 LEU 104 3HD2 LEU 104 5.478 22.046 22.046 799 3HD2 LEU 104 2HD2 LEU 104 5.458 20.985 20.985 800 H ASN 105 H ASN 105 10.132 19.280 19.280 801 HA ASN 105 HA ASN 105 11.063 21.573 21.573 802 1HB ASN 105 2HB ASN 105 8.546 20.143 20.143 803 2HB ASN 105 1HB ASN 105 9.437 20.079 20.079 804 1HD2 ASN 105 2HD2 ASN 105 8.579 23.424 23.424 805 2HD2 ASN 105 1HD2 ASN 105 8.977 21.902 21.902 806 HA PRO 106 HA PRO 106 14.376 19.465 19.465 807 1HB PRO 106 2HB PRO 106 14.697 20.856 20.856 808 2HB PRO 106 1HB PRO 106 15.116 21.540 21.540 809 1HG PRO 106 2HG PRO 106 12.486 21.870 21.870 810 2HG PRO 106 1HG PRO 106 13.498 23.130 23.130 811 1HD PRO 106 2HD PRO 106 11.385 22.250 22.250 812 2HD PRO 106 1HD PRO 106 12.882 22.499 22.499 813 H SER 107 H SER 107 11.396 19.560 19.560 814 HA SER 107 HA SER 107 12.081 17.339 17.339 815 1HB SER 107 2HB SER 107 10.748 19.226 19.226 816 2HB SER 107 1HB SER 107 9.496 19.060 19.060 817 HG SER 107 HG SER 107 9.753 17.627 17.627 818 H ALA 108 H ALA 108 9.940 18.397 18.397 819 HA ALA 108 HA ALA 108 8.337 16.168 16.168 820 1HB ALA 108 3HB ALA 108 9.630 17.816 17.816 821 2HB ALA 108 2HB ALA 108 8.265 16.726 16.726 822 3HB ALA 108 1HB ALA 108 8.081 18.156 18.156 823 H VAL 109 H VAL 109 11.729 16.763 16.763 824 HA VAL 109 HA VAL 109 12.325 14.670 14.670 825 HB VAL 109 HB VAL 109 13.903 16.472 16.472 826 1HG1 VAL 109 2HG1 VAL 109 13.373 16.144 16.144 827 2HG1 VAL 109 1HG1 VAL 109 14.219 14.618 14.618 828 3HG1 VAL 109 3HG1 VAL 109 15.092 16.105 16.105 829 1HG2 VAL 109 3HG2 VAL 109 14.835 14.592 14.592 830 2HG2 VAL 109 2HG2 VAL 109 15.955 15.112 15.112 831 3HG2 VAL 109 1HG2 VAL 109 15.012 13.645 13.645 832 H SER 110 H SER 110 11.876 14.656 14.656 833 HA SER 110 HA SER 110 12.517 11.845 11.845 834 1HB SER 110 2HB SER 110 10.797 13.779 13.779 835 2HB SER 110 1HB SER 110 11.634 12.323 12.323 836 HG SER 110 HG SER 110 12.643 14.769 14.769 837 H LEU 111 H LEU 111 9.580 13.728 13.728 838 HA LEU 111 HA LEU 111 7.598 11.742 11.742 839 1HB LEU 111 2HB LEU 111 6.858 13.958 13.958 840 2HB LEU 111 1HB LEU 111 7.904 14.348 14.348 841 HG LEU 111 HG LEU 111 5.341 12.814 12.814 842 1HD1 LEU 111 1HD1 LEU 111 6.248 15.653 15.653 843 2HD1 LEU 111 3HD1 LEU 111 4.681 15.004 15.004 844 3HD1 LEU 111 2HD1 LEU 111 5.096 15.214 15.214 845 1HD2 LEU 111 1HD2 LEU 111 7.223 13.808 13.808 846 2HD2 LEU 111 3HD2 LEU 111 6.786 12.135 12.135 847 3HD2 LEU 111 2HD2 LEU 111 5.580 13.239 13.239 848 H HIS 112 H HIS 112 9.380 12.690 12.690 849 HA HIS 112 HA HIS 112 8.156 10.705 10.705 850 1HB HIS 112 2HB HIS 112 9.717 11.254 11.254 851 2HB HIS 112 1HB HIS 112 9.860 12.649 12.649 852 HD1 HIS 112 HD1 HIS 112 11.718 9.324 9.324 853 HD2 HIS 112 HD2 HIS 112 12.281 13.336 13.336 854 HE1 HIS 112 HE1 HIS 112 14.169 9.657 9.657 855 H SER 113 H SER 113 11.202 10.403 10.403 856 HA SER 113 HA SER 113 11.881 7.771 7.771 857 1HB SER 113 2HB SER 113 11.842 9.023 9.023 858 2HB SER 113 1HB SER 113 12.774 7.591 7.591 859 HG SER 113 HG SER 113 13.059 10.269 10.269 860 H LYS 114 H LYS 114 9.460 8.695 8.695 861 HA LYS 114 HA LYS 114 8.573 6.078 6.078 862 1HB LYS 114 2HB LYS 114 7.058 8.743 8.743 863 2HB LYS 114 1HB LYS 114 6.239 7.267 7.267 864 1HG LYS 114 2HG LYS 114 8.671 8.286 8.286 865 2HG LYS 114 1HG LYS 114 7.028 8.714 8.714 866 1HD LYS 114 2HD LYS 114 6.507 6.164 6.164 867 2HD LYS 114 1HD LYS 114 8.229 5.887 5.887 868 1HE LYS 114 2HE LYS 114 6.762 7.425 7.425 869 2HE LYS 114 1HE LYS 114 7.381 5.789 5.789 870 1HZ LYS 114 1HZ LYS 114 9.467 7.432 7.432 871 2HZ LYS 114 3HZ LYS 114 8.764 8.197 8.197 872 3HZ LYS 114 2HZ LYS 114 9.378 6.626 6.626 873 H LEU 115 H LEU 115 7.528 8.191 8.191 874 HA LEU 115 HA LEU 115 5.581 6.404 6.404 875 1HB LEU 115 2HB LEU 115 7.191 8.511 8.511 876 2HB LEU 115 1HB LEU 115 5.641 7.850 7.850 877 HG LEU 115 HG LEU 115 6.203 9.600 9.600 878 1HD1 LEU 115 2HD1 LEU 115 4.576 10.139 10.139 879 2HD1 LEU 115 1HD1 LEU 115 4.715 11.222 11.222 880 3HD1 LEU 115 3HD1 LEU 115 6.126 10.853 10.853 881 1HD2 LEU 115 3HD2 LEU 115 3.506 8.453 8.453 882 2HD2 LEU 115 2HD2 LEU 115 4.423 7.976 7.976 883 3HD2 LEU 115 1HD2 LEU 115 3.783 9.605 9.605 884 H ASN 116 H ASN 116 9.022 6.915 6.915 885 HA ASN 116 HA ASN 116 9.389 5.254 5.254 886 1HB ASN 116 2HB ASN 116 11.135 5.216 5.216 887 2HB ASN 116 1HB ASN 116 11.550 4.407 4.407 888 1HD2 ASN 116 2HD2 ASN 116 12.876 7.219 7.219 889 2HD2 ASN 116 1HD2 ASN 116 12.673 5.528 5.528 890 H ALA 117 H ALA 117 9.243 4.282 4.282 891 HA ALA 117 HA ALA 117 9.437 1.531 1.531 892 1HB ALA 117 3HB ALA 117 7.752 2.813 2.813 893 2HB ALA 117 2HB ALA 117 8.230 1.124 1.124 894 3HB ALA 117 1HB ALA 117 9.458 2.370 2.370 895 H THR 118 H THR 118 6.501 3.368 3.368 896 HA THR 118 HA THR 118 4.612 1.395 1.395 897 HB THR 118 HB THR 118 2.977 3.367 3.367 898 HG1 THR 118 HG1 THR 118 5.321 4.366 4.366 899 1HG2 THR 118 3HG2 THR 118 5.026 4.269 4.269 900 2HG2 THR 118 2HG2 THR 118 3.355 4.761 4.761 901 3HG2 THR 118 1HG2 THR 118 3.750 3.159 3.159 902 H ILE 119 H ILE 119 6.565 3.146 3.146 903 HA ILE 119 HA ILE 119 4.965 2.419 2.419 904 HB ILE 119 HB ILE 119 7.695 3.762 3.762 905 1HG1 ILE 119 2HG1 ILE 119 5.020 5.023 5.023 906 2HG1 ILE 119 1HG1 ILE 119 5.577 4.986 4.986 907 1HG2 ILE 119 2HG2 ILE 119 5.923 3.476 3.476 908 2HG2 ILE 119 1HG2 ILE 119 7.403 4.417 4.417 909 3HG2 ILE 119 3HG2 ILE 119 7.463 2.676 2.676 910 1HD1 ILE 119 2HD1 ILE 119 7.049 6.310 6.310 911 2HD1 ILE 119 1HD1 ILE 119 6.151 7.132 7.132 912 3HD1 ILE 119 3HD1 ILE 119 7.624 6.274 6.274 913 H ASP 120 H ASP 120 8.277 1.666 1.666 914 HA ASP 120 HA ASP 120 8.755 -0.388 -0.388 915 1HB ASP 120 2HB ASP 120 9.968 0.241 0.241 916 2HB ASP 120 1HB ASP 120 10.391 -1.275 -1.275 917 H VAL 121 H VAL 121 7.493 -0.530 -0.530 918 HA VAL 121 HA VAL 121 7.053 -3.372 -3.372 919 HB VAL 121 HB VAL 121 5.843 -2.959 -2.959 920 1HG1 VAL 121 2HG1 VAL 121 8.034 -0.894 -0.894 921 2HG1 VAL 121 1HG1 VAL 121 7.245 -1.510 -1.510 922 3HG1 VAL 121 3HG1 VAL 121 8.163 -2.585 -2.585 923 1HG2 VAL 121 2HG2 VAL 121 5.362 -0.192 -0.192 924 2HG2 VAL 121 1HG2 VAL 121 4.165 -1.446 -1.446 925 3HG2 VAL 121 3HG2 VAL 121 4.997 -0.790 -0.790 926 H MET 122 H MET 122 5.141 -0.572 -0.572 927 HA MET 122 HA MET 122 2.680 -1.987 -1.987 928 1HB MET 122 2HB MET 122 2.341 0.336 0.336 929 2HB MET 122 1HB MET 122 3.888 0.587 0.587 930 1HG MET 122 2HG MET 122 1.893 -0.928 -0.928 931 2HG MET 122 1HG MET 122 1.592 0.753 0.753 932 1HE MET 122 3HE MET 122 1.417 -0.112 -0.112 933 2HE MET 122 2HE MET 122 2.784 -0.153 -0.153 934 3HE MET 122 1HE MET 122 2.467 -1.550 -1.550 935 H ARG 123 H ARG 123 5.299 -1.162 -1.162 936 HA ARG 123 HA ARG 123 4.459 -2.497 -2.497 937 1HB ARG 123 2HB ARG 123 7.280 -2.076 -2.076 938 2HB ARG 123 1HB ARG 123 7.034 -2.910 -2.910 939 1HG ARG 123 2HG ARG 123 5.665 -0.927 -0.927 940 2HG ARG 123 1HG ARG 123 6.049 -0.097 -0.097 941 1HD ARG 123 2HD ARG 123 8.104 -0.965 -0.965 942 2HD ARG 123 1HD ARG 123 7.469 0.636 0.636 943 HE ARG 123 HE ARG 123 8.504 0.785 0.785 944 1HH1 ARG 123 2HH1 ARG 123 9.469 -2.006 -2.006 945 2HH1 ARG 123 1HH1 ARG 123 10.939 -2.231 -2.231 946 1HH2 ARG 123 1HH2 ARG 123 10.373 0.601 0.601 947 2HH2 ARG 123 2HH2 ARG 123 11.453 -0.663 -0.663 948 H GLY 124 H GLY 124 6.231 -3.797 -3.797 949 1HA GLY 124 2HA GLY 124 6.304 -6.501 -6.501 950 2HA GLY 124 1HA GLY 124 6.387 -6.044 -6.044 951 H LEU 125 H LEU 125 4.071 -5.062 -5.062 952 HA LEU 125 HA LEU 125 2.270 -7.211 -7.211 953 1HB LEU 125 2HB LEU 125 1.681 -4.221 -4.221 954 2HB LEU 125 1HB LEU 125 0.464 -5.362 -5.362 955 HG LEU 125 HG LEU 125 3.119 -4.965 -4.965 956 1HD1 LEU 125 3HD1 LEU 125 1.669 -2.931 -2.931 957 2HD1 LEU 125 2HD1 LEU 125 0.339 -3.930 -3.930 958 3HD1 LEU 125 1HD1 LEU 125 1.791 -3.745 -3.745 959 1HD2 LEU 125 1HD2 LEU 125 0.513 -6.384 -6.384 960 2HD2 LEU 125 3HD2 LEU 125 2.061 -7.158 -7.158 961 3HD2 LEU 125 2HD2 LEU 125 1.853 -6.116 -6.116 962 H LEU 126 H LEU 126 1.984 -4.702 -4.702 963 HA LEU 126 HA LEU 126 -0.166 -5.985 -5.985 964 1HB LEU 126 2HB LEU 126 1.814 -3.823 -3.823 965 2HB LEU 126 1HB LEU 126 0.945 -4.565 -4.565 966 HG LEU 126 HG LEU 126 -1.177 -4.289 -4.289 967 1HD1 LEU 126 1HD1 LEU 126 0.584 -2.313 -2.313 968 2HD1 LEU 126 3HD1 LEU 126 -1.151 -2.480 -2.480 969 3HD1 LEU 126 2HD1 LEU 126 -0.100 -3.726 -3.726 970 1HD2 LEU 126 3HD2 LEU 126 -0.705 -2.886 -2.886 971 2HD2 LEU 126 2HD2 LEU 126 -1.681 -2.237 -2.237 972 3HD2 LEU 126 1HD2 LEU 126 -0.014 -1.712 -1.712 973 H SER 127 H SER 127 3.315 -6.091 -6.091 974 HA SER 127 HA SER 127 3.140 -7.761 -7.761 975 1HB SER 127 2HB SER 127 5.227 -7.811 -7.811 976 2HB SER 127 1HB SER 127 5.422 -8.622 -8.622 977 HG SER 127 HG SER 127 5.300 -5.898 -5.898 978 H ASN 128 H ASN 128 3.547 -8.747 -8.747 979 HA ASN 128 HA ASN 128 3.073 -11.507 -11.507 980 1HB ASN 128 2HB ASN 128 2.401 -9.602 -9.602 981 2HB ASN 128 1HB ASN 128 2.263 -11.352 -11.352 982 1HD2 ASN 128 2HD2 ASN 128 5.893 -9.751 -9.751 983 2HD2 ASN 128 1HD2 ASN 128 4.535 -8.756 -8.756 984 H VAL 129 H VAL 129 0.705 -8.808 -8.808 985 HA VAL 129 HA VAL 129 -1.405 -10.747 -10.747 986 HB VAL 129 HB VAL 129 -1.281 -7.761 -7.761 987 1HG1 VAL 129 2HG1 VAL 129 -3.756 -9.474 -9.474 988 2HG1 VAL 129 1HG1 VAL 129 -3.834 -7.766 -7.766 989 3HG1 VAL 129 3HG1 VAL 129 -3.065 -8.356 -8.356 990 1HG2 VAL 129 3HG2 VAL 129 -2.938 -9.775 -9.775 991 2HG2 VAL 129 2HG2 VAL 129 -1.450 -9.027 -9.027 992 3HG2 VAL 129 1HG2 VAL 129 -2.883 -8.045 -8.045 993 H LEU 130 H LEU 130 -0.664 -8.568 -8.568 994 HA LEU 130 HA LEU 130 -2.571 -9.897 -9.897 995 1HB LEU 130 2HB LEU 130 -0.771 -7.821 -7.821 996 2HB LEU 130 1HB LEU 130 -0.077 -9.022 -9.022 997 HG LEU 130 HG LEU 130 -1.681 -7.699 -7.699 998 1HD1 LEU 130 3HD1 LEU 130 -3.022 -10.392 -10.392 999 2HD1 LEU 130 2HD1 LEU 130 -3.357 -9.321 -9.321 1000 3HD1 LEU 130 1HD1 LEU 130 -1.781 -10.045 -10.045 1001 1HD2 LEU 130 3HD2 LEU 130 -3.046 -6.768 -6.768 1002 2HD2 LEU 130 2HD2 LEU 130 -4.053 -7.489 -7.489 1003 3HD2 LEU 130 1HD2 LEU 130 -3.811 -8.329 -8.329 1004 H CYS 131 H CYS 131 0.514 -10.830 -10.830 1005 HA CYS 131 HA CYS 131 1.160 -12.969 -12.969 1006 1HB CYS 131 2HB CYS 131 2.879 -12.056 -12.056 1007 2HB CYS 131 1HB CYS 131 1.919 -12.221 -12.221 1008 H ARG 132 H ARG 132 -0.203 -12.897 -12.897 1009 HA ARG 132 HA ARG 132 -1.097 -15.675 -15.675 1010 1HB ARG 132 2HB ARG 132 -0.421 -13.828 -13.828 1011 2HB ARG 132 1HB ARG 132 -2.070 -14.252 -14.252 1012 1HG ARG 132 2HG ARG 132 -0.012 -16.434 -16.434 1013 2HG ARG 132 1HG ARG 132 0.009 -15.741 -15.741 1014 1HD ARG 132 2HD ARG 132 -1.675 -17.818 -17.818 1015 2HD ARG 132 1HD ARG 132 -1.685 -17.175 -17.175 1016 HE ARG 132 HE ARG 132 -3.241 -16.173 -16.173 1017 1HH1 ARG 132 2HH1 ARG 132 -2.950 -16.373 -16.373 1018 2HH1 ARG 132 1HH1 ARG 132 -4.462 -15.606 -15.606 1019 1HH2 ARG 132 1HH2 ARG 132 -5.034 -15.232 -15.232 1020 2HH2 ARG 132 2HH2 ARG 132 -5.793 -14.971 -14.971 1021 H LEU 133 H LEU 133 -2.541 -12.717 -12.717 1022 HA LEU 133 HA LEU 133 -5.306 -13.541 -13.541 1023 1HB LEU 133 2HB LEU 133 -3.994 -11.287 -11.287 1024 2HB LEU 133 1HB LEU 133 -5.617 -11.707 -11.707 1025 HG LEU 133 HG LEU 133 -4.828 -11.005 -11.005 1026 1HD1 LEU 133 1HD1 LEU 133 -6.212 -9.350 -9.350 1027 2HD1 LEU 133 3HD1 LEU 133 -5.983 -8.848 -8.848 1028 3HD1 LEU 133 2HD1 LEU 133 -4.597 -9.068 -9.068 1029 1HD2 LEU 133 1HD2 LEU 133 -7.550 -11.410 -11.410 1030 2HD2 LEU 133 3HD2 LEU 133 -6.874 -12.354 -12.354 1031 3HD2 LEU 133 2HD2 LEU 133 -7.334 -10.697 -10.697 1032 H CYS 134 H CYS 134 -3.686 -12.785 -12.785 1033 HA CYS 134 HA CYS 134 -5.008 -14.048 -14.048 1034 1HB CYS 134 2HB CYS 134 -2.864 -12.934 -12.934 1035 2HB CYS 134 1HB CYS 134 -2.089 -14.251 -14.251 1036 H ASN 135 H ASN 135 -2.600 -15.590 -15.590 1037 HA ASN 135 HA ASN 135 -2.343 -18.159 -18.159 1038 1HB ASN 135 2HB ASN 135 -1.835 -16.642 -16.642 1039 2HB ASN 135 1HB ASN 135 -3.264 -17.389 -17.389 1040 1HD2 ASN 135 2HD2 ASN 135 -1.178 -19.995 -19.995 1041 2HD2 ASN 135 1HD2 ASN 135 -2.361 -18.828 -18.828 1042 H LYS 136 H LYS 136 -5.352 -17.044 -17.044 1043 HA LYS 136 HA LYS 136 -6.735 -19.421 -19.421 1044 1HB LYS 136 2HB LYS 136 -7.308 -18.178 -18.178 1045 2HB LYS 136 1HB LYS 136 -8.134 -19.548 -19.548 1046 1HG LYS 136 2HG LYS 136 -5.857 -20.764 -20.764 1047 2HG LYS 136 1HG LYS 136 -5.254 -19.444 -19.444 1048 1HD LYS 136 2HD LYS 136 -7.156 -19.848 -19.848 1049 2HD LYS 136 1HD LYS 136 -7.712 -21.176 -21.176 1050 1HE LYS 136 2HE LYS 136 -6.411 -22.006 -22.006 1051 2HE LYS 136 1HE LYS 136 -5.629 -22.424 -22.424 1052 1HZ LYS 136 1HZ LYS 136 -4.727 -19.877 -19.877 1053 2HZ LYS 136 3HZ LYS 136 -4.634 -20.876 -20.876 1054 3HZ LYS 136 2HZ LYS 136 -3.842 -21.329 -21.329 1055 H TYR 137 H TYR 137 -6.460 -16.341 -16.341 1056 HA TYR 137 HA TYR 137 -9.315 -15.820 -15.820 1057 1HB TYR 137 2HB TYR 137 -7.228 -13.905 -13.905 1058 2HB TYR 137 1HB TYR 137 -8.788 -13.388 -13.388 1059 HD1 TYR 137 HD1 TYR 137 -10.768 -15.113 -15.113 1060 HD2 TYR 137 HD2 TYR 137 -7.185 -14.051 -14.051 1061 HE1 TYR 137 HE1 TYR 137 -11.823 -15.583 -15.583 1062 HE2 TYR 137 HE2 TYR 137 -8.225 -14.506 -14.506 1063 HH TYR 137 HH TYR 137 -11.131 -16.211 -16.211 1064 H ARG 138 H ARG 138 -8.136 -16.992 -16.992 1065 HA ARG 138 HA ARG 138 -6.642 -15.107 -15.107 1066 1HB ARG 138 2HB ARG 138 -7.373 -17.992 -17.992 1067 2HB ARG 138 1HB ARG 138 -6.090 -17.016 -17.016 1068 1HG ARG 138 2HG ARG 138 -4.877 -17.086 -17.086 1069 2HG ARG 138 1HG ARG 138 -6.157 -18.055 -18.055 1070 1HD ARG 138 2HD ARG 138 -5.581 -19.611 -19.611 1071 2HD ARG 138 1HD ARG 138 -3.999 -18.833 -18.833 1072 HE ARG 138 HE ARG 138 -4.413 -19.458 -19.458 1073 1HH1 ARG 138 2HH1 ARG 138 -5.108 -21.426 -21.426 1074 2HH1 ARG 138 1HH1 ARG 138 -4.999 -22.889 -22.889 1075 1HH2 ARG 138 1HH2 ARG 138 -4.251 -21.237 -21.237 1076 2HH2 ARG 138 2HH2 ARG 138 -4.471 -22.799 -22.799 1077 H VAL 139 H VAL 139 -8.738 -14.128 -14.128 1078 HA VAL 139 HA VAL 139 -10.841 -14.937 -14.937 1079 HB VAL 139 HB VAL 139 -11.695 -14.713 -14.713 1080 1HG1 VAL 139 3HG1 VAL 139 -9.925 -13.190 -13.190 1081 2HG1 VAL 139 2HG1 VAL 139 -10.600 -11.850 -11.850 1082 3HG1 VAL 139 1HG1 VAL 139 -11.543 -12.616 -12.616 1083 1HG2 VAL 139 3HG2 VAL 139 -12.426 -12.271 -12.271 1084 2HG2 VAL 139 2HG2 VAL 139 -13.154 -13.864 -13.864 1085 3HG2 VAL 139 1HG2 VAL 139 -13.376 -12.901 -12.901 1086 H GLY 140 H GLY 140 -9.012 -12.317 -12.317 1087 1HA GLY 140 2HA GLY 140 -7.730 -10.730 -10.730 1088 2HA GLY 140 1HA GLY 140 -8.711 -11.064 -11.064 1089 H HIS 141 H HIS 141 -9.604 -9.973 -9.973 1090 HA HIS 141 HA HIS 141 -10.504 -7.414 -7.414 1091 1HB HIS 141 2HB HIS 141 -12.348 -9.246 -9.246 1092 2HB HIS 141 1HB HIS 141 -12.407 -9.015 -9.015 1093 HD1 HIS 141 HD1 HIS 141 -14.889 -8.241 -8.241 1094 HD2 HIS 141 HD2 HIS 141 -11.829 -5.538 -5.538 1095 HE1 HIS 141 HE1 HIS 141 -15.929 -6.012 -6.012 1096 H VAL 142 H VAL 142 -8.385 -7.084 -7.084 1097 HA VAL 142 HA VAL 142 -9.116 -6.659 -6.659 1098 HB VAL 142 HB VAL 142 -6.963 -7.720 -7.720 1099 1HG1 VAL 142 2HG1 VAL 142 -6.546 -6.898 -6.898 1100 2HG1 VAL 142 1HG1 VAL 142 -6.126 -5.314 -5.314 1101 3HG1 VAL 142 3HG1 VAL 142 -5.155 -6.705 -6.705 1102 1HG2 VAL 142 1HG2 VAL 142 -7.000 -6.032 -6.032 1103 2HG2 VAL 142 3HG2 VAL 142 -5.412 -6.070 -6.070 1104 3HG2 VAL 142 2HG2 VAL 142 -6.514 -4.780 -4.780 1105 H ASP 143 H ASP 143 -7.861 -4.857 -4.857 1106 HA ASP 143 HA ASP 143 -7.800 -2.757 -2.757 1107 1HB ASP 143 2HB ASP 143 -10.016 -2.121 -2.121 1108 2HB ASP 143 1HB ASP 143 -9.660 -1.284 -1.284 1109 H VAL 144 H VAL 144 -6.759 -0.938 -0.938 1110 HA VAL 144 HA VAL 144 -6.127 -0.117 -0.117 1111 HB VAL 144 HB VAL 144 -3.665 0.109 0.109 1112 1HG1 VAL 144 2HG1 VAL 144 -4.516 -1.764 -1.764 1113 2HG1 VAL 144 1HG1 VAL 144 -4.903 -2.693 -2.693 1114 3HG1 VAL 144 3HG1 VAL 144 -3.229 -2.318 -2.318 1115 1HG2 VAL 144 3HG2 VAL 144 -4.558 -1.635 -1.635 1116 2HG2 VAL 144 2HG2 VAL 144 -3.964 0.025 0.025 1117 3HG2 VAL 144 1HG2 VAL 144 -2.889 -1.261 -1.261 1118 HA PRO 145 HA PRO 145 -6.771 3.714 3.714 1119 1HB PRO 145 2HB PRO 145 -8.900 4.676 4.676 1120 2HB PRO 145 1HB PRO 145 -9.100 3.730 3.730 1121 1HG PRO 145 2HG PRO 145 -9.005 2.699 2.699 1122 2HG PRO 145 1HG PRO 145 -10.250 2.368 2.368 1123 1HD PRO 145 2HD PRO 145 -8.317 0.548 0.548 1124 2HD PRO 145 1HD PRO 145 -8.709 1.027 1.027 1125 HA PRO 146 HA PRO 146 -4.502 5.671 5.671 1126 1HB PRO 146 2HB PRO 146 -3.693 7.946 7.946 1127 2HB PRO 146 1HB PRO 146 -3.123 6.372 6.372 1128 1HG PRO 146 2HG PRO 146 -5.424 8.048 8.048 1129 2HG PRO 146 1HG PRO 146 -4.101 7.277 7.277 1130 1HD PRO 146 2HD PRO 146 -6.574 6.029 6.029 1131 2HD PRO 146 1HD PRO 146 -5.054 5.119 5.119 1132 H VAL 147 H VAL 147 -6.845 7.767 7.767 1133 HA VAL 147 HA VAL 147 -7.608 9.885 9.885 1134 HB VAL 147 HB VAL 147 -9.494 7.608 7.608 1135 1HG1 VAL 147 1HG1 VAL 147 -10.024 10.491 10.491 1136 2HG1 VAL 147 3HG1 VAL 147 -11.252 9.271 9.271 1137 3HG1 VAL 147 2HG1 VAL 147 -10.258 9.829 9.829 1138 1HG2 VAL 147 2HG2 VAL 147 -9.015 8.906 8.906 1139 2HG2 VAL 147 1HG2 VAL 147 -8.664 7.226 7.226 1140 3HG2 VAL 147 3HG2 VAL 147 -10.318 7.790 7.790 1141 HA PRO 148 HA PRO 148 -6.429 8.979 8.979 1142 1HB PRO 148 2HB PRO 148 -4.774 11.053 11.053 1143 2HB PRO 148 1HB PRO 148 -4.264 9.674 9.674 1144 1HG PRO 148 2HG PRO 148 -5.465 12.316 12.316 1145 2HG PRO 148 1HG PRO 148 -3.914 11.599 11.599 1146 1HD PRO 148 2HD PRO 148 -6.118 11.116 11.116 1147 2HD PRO 148 1HD PRO 148 -4.968 9.795 9.795 1148 H ASP 149 H ASP 149 -7.688 11.878 11.878 1149 HA ASP 149 HA ASP 149 -8.970 13.591 13.591 1150 1HB ASP 149 2HB ASP 149 -10.294 11.065 11.065 1151 2HB ASP 149 1HB ASP 149 -10.876 12.245 12.245 1152 H HIS 150 H HIS 150 -8.050 14.935 14.935 1153 HA HIS 150 HA HIS 150 -8.410 15.134 15.134 1154 1HB HIS 150 2HB HIS 150 -6.005 16.326 16.326 1155 2HB HIS 150 1HB HIS 150 -6.126 14.583 14.583 1156 HD1 HIS 150 HD1 HIS 150 -4.741 13.534 13.534 1157 HD2 HIS 150 HD2 HIS 150 -6.243 16.922 16.922 1158 HE1 HIS 150 HE1 HIS 150 -3.849 13.618 13.618 1159 H SER 151 H SER 151 -10.238 16.309 16.309 1160 HA SER 151 HA SER 151 -9.520 18.961 18.961 1161 1HB SER 151 2HB SER 151 -12.163 19.029 19.029 1162 2HB SER 151 1HB SER 151 -11.371 17.767 17.767 1163 HG SER 151 HG SER 151 -13.052 17.227 17.227 1164 H ASP 152 H ASP 152 -9.515 17.762 17.762 1165 HA ASP 152 HA ASP 152 -10.879 18.744 18.744 1166 1HB ASP 152 2HB ASP 152 -8.597 17.582 17.582 1167 2HB ASP 152 1HB ASP 152 -7.864 19.171 19.171 1168 H LYS 153 H LYS 153 -8.592 20.580 20.580 1169 HA LYS 153 HA LYS 153 -9.707 23.055 23.055 1170 1HB LYS 153 2HB LYS 153 -9.009 22.620 22.620 1171 2HB LYS 153 1HB LYS 153 -7.870 23.808 23.808 1172 1HG LYS 153 2HG LYS 153 -10.713 24.388 24.388 1173 2HG LYS 153 1HG LYS 153 -10.494 24.206 24.206 1174 1HD LYS 153 2HD LYS 153 -9.981 26.424 26.424 1175 2HD LYS 153 1HD LYS 153 -8.375 25.831 25.831 1176 1HE LYS 153 2HE LYS 153 -9.003 26.044 26.044 1177 2HE LYS 153 1HE LYS 153 -10.466 26.836 26.836 1178 1HZ LYS 153 3HZ LYS 153 -8.300 28.069 28.069 1179 2HZ LYS 153 2HZ LYS 153 -7.913 27.968 27.968 1180 3HZ LYS 153 1HZ LYS 153 -9.339 28.747 28.747 1181 H GLU 154 H GLU 154 -7.563 24.777 24.777 1182 HA GLU 154 HA GLU 154 -5.724 23.620 23.620 1183 1HB GLU 154 2HB GLU 154 -6.597 25.869 25.869 1184 2HB GLU 154 1HB GLU 154 -6.013 26.443 26.443 1185 1HG GLU 154 2HG GLU 154 -3.669 25.392 25.392 1186 2HG GLU 154 1HG GLU 154 -4.593 26.087 26.087 1187 H VAL 155 H VAL 155 -4.409 25.947 25.947 1188 HA VAL 155 HA VAL 155 -1.996 24.766 24.766 1189 HB VAL 155 HB VAL 155 -3.592 25.720 25.720 1190 1HG1 VAL 155 1HG1 VAL 155 -1.338 24.766 24.766 1191 2HG1 VAL 155 3HG1 VAL 155 -0.630 25.919 25.919 1192 3HG1 VAL 155 2HG1 VAL 155 -1.386 26.487 26.487 1193 1HG2 VAL 155 1HG2 VAL 155 -2.223 27.501 27.501 1194 2HG2 VAL 155 3HG2 VAL 155 -3.938 27.444 27.444 1195 3HG2 VAL 155 2HG2 VAL 155 -2.821 28.030 28.030 1196 H PHE 156 H PHE 156 -4.976 23.905 23.905 1197 HA PHE 156 HA PHE 156 -4.033 21.914 21.914 1198 1HB PHE 156 2HB PHE 156 -6.731 21.727 21.727 1199 2HB PHE 156 1HB PHE 156 -6.398 21.124 21.124 1200 HD1 PHE 156 HD2 PHE 156 -5.052 24.513 24.513 1201 HD2 PHE 156 HD1 PHE 156 -8.691 22.279 22.279 1202 HE1 PHE 156 HE2 PHE 156 -6.185 26.462 26.462 1203 HE2 PHE 156 HE1 PHE 156 -9.811 24.252 24.252 1204 HZ PHE 156 HZ PHE 156 -8.582 26.358 26.358 1205 H GLN 157 H GLN 157 -5.329 21.512 21.512 1206 HA GLN 157 HA GLN 157 -4.768 18.687 18.687 1207 1HB GLN 157 2HB GLN 157 -6.197 19.720 19.720 1208 2HB GLN 157 1HB GLN 157 -4.919 20.806 20.806 1209 1HG GLN 157 2HG GLN 157 -3.589 18.576 18.576 1210 2HG GLN 157 1HG GLN 157 -5.170 17.819 17.819 1211 1HE2 GLN 157 2HE2 GLN 157 -4.594 18.938 18.938 1212 2HE2 GLN 157 1HE2 GLN 157 -3.756 17.882 17.882 1213 H LYS 158 H LYS 158 -3.066 21.501 21.501 1214 HA LYS 158 HA LYS 158 -0.762 20.271 20.271 1215 1HB LYS 158 2HB LYS 158 -1.630 22.830 22.830 1216 2HB LYS 158 1HB LYS 158 -0.673 22.957 22.957 1217 1HG LYS 158 2HG LYS 158 1.340 22.194 22.194 1218 2HG LYS 158 1HG LYS 158 0.377 22.057 22.057 1219 1HD LYS 158 2HD LYS 158 -0.200 24.684 24.684 1220 2HD LYS 158 1HD LYS 158 1.298 24.530 24.530 1221 1HE LYS 158 2HE LYS 158 1.753 25.391 25.391 1222 2HE LYS 158 1HE LYS 158 2.497 23.813 23.813 1223 1HZ LYS 158 3HZ LYS 158 -0.118 23.392 23.392 1224 2HZ LYS 158 2HZ LYS 158 0.584 24.569 24.569 1225 3HZ LYS 158 1HZ LYS 158 1.320 23.064 23.064 1226 H LYS 159 H LYS 159 -1.429 20.964 20.964 1227 HA LYS 159 HA LYS 159 1.294 19.896 19.896 1228 1HB LYS 159 2HB LYS 159 -0.669 21.736 21.736 1229 2HB LYS 159 1HB LYS 159 0.359 20.795 20.795 1230 1HG LYS 159 2HG LYS 159 2.253 21.725 21.725 1231 2HG LYS 159 1HG LYS 159 1.073 22.984 22.984 1232 1HD LYS 159 2HD LYS 159 2.346 22.199 22.199 1233 2HD LYS 159 1HD LYS 159 2.764 23.587 23.587 1234 1HE LYS 159 2HE LYS 159 0.495 24.552 24.552 1235 2HE LYS 159 1HE LYS 159 0.021 23.193 23.193 1236 1HZ LYS 159 1HZ LYS 159 2.395 24.184 24.184 1237 2HZ LYS 159 3HZ LYS 159 1.410 25.533 25.533 1238 3HZ LYS 159 2HZ LYS 159 0.874 24.276 24.276 1239 H LYS 160 H LYS 160 -2.087 19.635 19.635 1240 HA LYS 160 HA LYS 160 -1.679 17.099 17.099 1241 1HB LYS 160 2HB LYS 160 -4.329 18.185 18.185 1242 2HB LYS 160 1HB LYS 160 -4.037 17.315 17.315 1243 1HG LYS 160 2HG LYS 160 -2.765 19.445 19.445 1244 2HG LYS 160 1HG LYS 160 -3.381 20.191 20.191 1245 1HD LYS 160 2HD LYS 160 -5.667 19.540 19.540 1246 2HD LYS 160 1HD LYS 160 -5.139 18.800 18.800 1247 1HE LYS 160 2HE LYS 160 -4.649 21.717 21.717 1248 2HE LYS 160 1HE LYS 160 -5.968 21.149 21.149 1249 1HZ LYS 160 1HZ LYS 160 -3.564 19.989 19.989 1250 2HZ LYS 160 3HZ LYS 160 -3.357 21.683 21.683 1251 3HZ LYS 160 2HZ LYS 160 -4.601 21.109 21.109 1252 H LEU 161 H LEU 161 -1.548 17.554 17.554 1253 HA LEU 161 HA LEU 161 -3.327 16.031 16.031 1254 1HB LEU 161 2HB LEU 161 -0.940 16.785 16.785 1255 2HB LEU 161 1HB LEU 161 -0.380 15.262 15.262 1256 HG LEU 161 HG LEU 161 -2.459 14.287 14.287 1257 1HD1 LEU 161 2HD1 LEU 161 -1.713 16.871 16.871 1258 2HD1 LEU 161 1HD1 LEU 161 -2.688 15.598 15.598 1259 3HD1 LEU 161 3HD1 LEU 161 -3.267 16.457 16.457 1260 1HD2 LEU 161 3HD2 LEU 161 0.182 15.014 15.014 1261 2HD2 LEU 161 2HD2 LEU 161 -0.163 13.544 13.544 1262 3HD2 LEU 161 1HD2 LEU 161 -0.934 13.817 13.817 1263 H GLY 162 H GLY 162 -1.041 14.790 14.790 1264 1HA GLY 162 2HA GLY 162 -1.908 11.979 11.979 1265 2HA GLY 162 1HA GLY 162 -0.610 12.495 12.495 1266 H CYS 163 H CYS 163 -2.249 14.541 14.541 1267 HA CYS 163 HA CYS 163 -3.163 13.122 13.122 1268 1HB CYS 163 2HB CYS 163 -2.956 15.709 15.709 1269 2HB CYS 163 1HB CYS 163 -4.709 15.554 15.554 1270 H GLN 164 H GLN 164 -5.150 14.191 14.191 1271 HA GLN 164 HA GLN 164 -7.518 12.888 12.888 1272 1HB GLN 164 2HB GLN 164 -6.992 13.158 13.158 1273 2HB GLN 164 1HB GLN 164 -8.537 12.884 12.884 1274 1HG GLN 164 2HG GLN 164 -8.572 15.259 15.259 1275 2HG GLN 164 1HG GLN 164 -8.102 15.199 15.199 1276 1HE2 GLN 164 2HE2 GLN 164 -5.025 16.658 16.658 1277 2HE2 GLN 164 1HE2 GLN 164 -6.295 16.475 16.475 1278 H LEU 165 H LEU 165 -4.799 11.669 11.669 1279 HA LEU 165 HA LEU 165 -6.002 9.056 9.056 1280 1HB LEU 165 2HB LEU 165 -3.085 10.071 10.071 1281 2HB LEU 165 1HB LEU 165 -3.611 8.498 8.498 1282 HG LEU 165 HG LEU 165 -3.348 10.316 10.316 1283 1HD1 LEU 165 1HD1 LEU 165 -4.287 7.996 7.996 1284 2HD1 LEU 165 3HD1 LEU 165 -5.843 8.602 8.602 1285 3HD1 LEU 165 2HD1 LEU 165 -5.155 9.172 9.172 1286 1HD2 LEU 165 2HD2 LEU 165 -4.898 12.040 12.040 1287 2HD2 LEU 165 1HD2 LEU 165 -5.418 11.489 11.489 1288 3HD2 LEU 165 3HD2 LEU 165 -6.227 10.902 10.902 1289 H LEU 166 H LEU 166 -3.261 10.074 10.074 1290 HA LEU 166 HA LEU 166 -3.268 7.723 7.723 1291 1HB LEU 166 2HB LEU 166 -2.773 10.582 10.582 1292 2HB LEU 166 1HB LEU 166 -2.921 9.457 9.457 1293 HG LEU 166 HG LEU 166 -0.526 9.797 9.797 1294 1HD1 LEU 166 2HD1 LEU 166 -1.844 7.052 7.052 1295 2HD1 LEU 166 1HD1 LEU 166 -0.134 7.226 7.226 1296 3HD1 LEU 166 3HD1 LEU 166 -1.059 7.883 7.883 1297 1HD2 LEU 166 1HD2 LEU 166 -1.036 9.699 9.699 1298 2HD2 LEU 166 3HD2 LEU 166 0.127 8.478 8.478 1299 3HD2 LEU 166 2HD2 LEU 166 -1.529 8.012 8.012 1300 H GLY 167 H GLY 167 -5.472 10.418 10.418 1301 1HA GLY 167 2HA GLY 167 -6.896 9.605 9.605 1302 2HA GLY 167 1HA GLY 167 -7.661 10.382 10.382 1303 H THR 168 H THR 168 -7.435 8.451 8.451 1304 HA THR 168 HA THR 168 -9.530 6.463 6.463 1305 HB THR 168 HB THR 168 -9.342 6.100 6.100 1306 HG1 THR 168 HG1 THR 168 -8.302 8.696 8.696 1307 1HG2 THR 168 3HG2 THR 168 -11.118 7.490 7.490 1308 2HG2 THR 168 2HG2 THR 168 -10.044 8.870 8.870 1309 3HG2 THR 168 1HG2 THR 168 -10.720 8.088 8.088 1310 H TYR 169 H TYR 169 -6.518 6.518 6.518 1311 HA TYR 169 HA TYR 169 -5.759 3.903 3.903 1312 1HB TYR 169 2HB TYR 169 -4.161 5.613 5.613 1313 2HB TYR 169 1HB TYR 169 -4.130 6.163 6.163 1314 HD1 TYR 169 HD1 TYR 169 -3.111 3.145 3.145 1315 HD2 TYR 169 HD2 TYR 169 -2.605 5.362 5.362 1316 HE1 TYR 169 HE1 TYR 169 -1.081 1.864 1.864 1317 HE2 TYR 169 HE2 TYR 169 -0.581 4.031 4.031 1318 HH TYR 169 HH TYR 169 1.018 3.120 3.120 1319 H LYS 170 H LYS 170 -5.636 5.760 5.760 1320 HA LYS 170 HA LYS 170 -4.729 3.576 3.576 1321 1HB LYS 170 2HB LYS 170 -4.360 5.906 5.906 1322 2HB LYS 170 1HB LYS 170 -6.042 6.288 6.288 1323 1HG LYS 170 2HG LYS 170 -5.120 4.229 4.229 1324 2HG LYS 170 1HG LYS 170 -4.855 5.932 5.932 1325 1HD LYS 170 2HD LYS 170 -7.448 6.136 6.136 1326 2HD LYS 170 1HD LYS 170 -7.468 4.453 4.453 1327 1HE LYS 170 2HE LYS 170 -6.559 5.041 5.041 1328 2HE LYS 170 1HE LYS 170 -6.284 6.707 6.707 1329 1HZ LYS 170 1HZ LYS 170 -8.969 6.025 6.025 1330 2HZ LYS 170 3HZ LYS 170 -8.590 5.658 5.658 1331 3HZ LYS 170 2HZ LYS 170 -8.356 7.226 7.226 1332 H GLN 171 H GLN 171 -7.853 5.172 5.172 1333 HA GLN 171 HA GLN 171 -9.221 3.235 3.235 1334 1HB GLN 171 2HB GLN 171 -10.061 5.553 5.553 1335 2HB GLN 171 1HB GLN 171 -10.446 4.713 4.713 1336 1HG GLN 171 2HG GLN 171 -11.527 3.534 3.534 1337 2HG GLN 171 1HG GLN 171 -12.267 5.008 5.008 1338 1HE2 GLN 171 2HE2 GLN 171 -14.342 2.908 2.908 1339 2HE2 GLN 171 1HE2 GLN 171 -14.274 4.087 4.087 1340 H VAL 172 H VAL 172 -8.667 3.149 3.149 1341 HA VAL 172 HA VAL 172 -10.093 0.641 0.641 1342 HB VAL 172 HB VAL 172 -9.625 1.114 1.114 1343 1HG1 VAL 172 3HG1 VAL 172 -9.950 3.716 3.716 1344 2HG1 VAL 172 2HG1 VAL 172 -10.297 3.543 3.543 1345 3HG1 VAL 172 1HG1 VAL 172 -11.220 2.640 2.640 1346 1HG2 VAL 172 1HG2 VAL 172 -7.475 2.989 2.989 1347 2HG2 VAL 172 3HG2 VAL 172 -7.181 1.458 1.458 1348 3HG2 VAL 172 2HG2 VAL 172 -7.965 2.762 2.762 1349 H ILE 173 H ILE 173 -6.593 1.567 1.567 1350 HA ILE 173 HA ILE 173 -5.495 -0.979 -0.979 1351 HB ILE 173 HB ILE 173 -4.405 1.224 1.224 1352 1HG1 ILE 173 2HG1 ILE 173 -4.561 1.183 1.183 1353 2HG1 ILE 173 1HG1 ILE 173 -3.194 1.843 1.843 1354 1HG2 ILE 173 3HG2 ILE 173 -3.034 -1.424 -1.424 1355 2HG2 ILE 173 2HG2 ILE 173 -2.242 -0.034 -0.034 1356 3HG2 ILE 173 1HG2 ILE 173 -3.492 -0.917 -0.917 1357 1HD1 ILE 173 1HD1 ILE 173 -3.258 -1.023 -1.023 1358 2HD1 ILE 173 3HD1 ILE 173 -2.588 0.333 0.333 1359 3HD1 ILE 173 2HD1 ILE 173 -1.878 -0.155 -0.155 1360 H SER 174 H SER 174 -6.589 0.508 0.508 1361 HA SER 174 HA SER 174 -5.989 -1.637 -1.637 1362 1HB SER 174 2HB SER 174 -7.852 -0.481 -0.481 1363 2HB SER 174 1HB SER 174 -6.383 0.422 0.422 1364 HG SER 174 HG SER 174 -8.222 0.852 0.852 1365 H VAL 175 H VAL 175 -8.143 -1.553 -1.553 1366 HA VAL 175 HA VAL 175 -9.917 -3.673 -3.673 1367 HB VAL 175 HB VAL 175 -10.296 -1.748 -1.748 1368 1HG1 VAL 175 3HG1 VAL 175 -12.066 -4.093 -4.093 1369 2HG1 VAL 175 2HG1 VAL 175 -12.496 -2.871 -2.871 1370 3HG1 VAL 175 1HG1 VAL 175 -11.163 -3.957 -3.957 1371 1HG2 VAL 175 3HG2 VAL 175 -10.737 -0.847 -0.847 1372 2HG2 VAL 175 2HG2 VAL 175 -12.204 -0.966 -0.966 1373 3HG2 VAL 175 1HG2 VAL 175 -11.867 -2.159 -2.159 1374 H VAL 176 H VAL 176 -7.641 -2.806 -2.806 1375 HA VAL 176 HA VAL 176 -8.355 -5.257 -5.257 1376 HB VAL 176 HB VAL 176 -6.556 -4.810 -4.810 1377 1HG1 VAL 176 2HG1 VAL 176 -8.747 -3.592 -3.592 1378 2HG1 VAL 176 1HG1 VAL 176 -8.105 -2.262 -2.262 1379 3HG1 VAL 176 3HG1 VAL 176 -7.433 -2.647 -2.647 1380 1HG2 VAL 176 3HG2 VAL 176 -6.098 -2.662 -2.662 1381 2HG2 VAL 176 2HG2 VAL 176 -4.888 -3.853 -3.853 1382 3HG2 VAL 176 1HG2 VAL 176 -5.329 -2.571 -2.571 1383 H VAL 177 H VAL 177 -5.850 -4.028 -4.028 1384 HA VAL 177 HA VAL 177 -4.005 -6.191 -6.191 1385 HB VAL 177 HB VAL 177 -3.914 -3.681 -3.681 1386 1HG1 VAL 177 3HG1 VAL 177 -5.791 -3.759 -3.759 1387 2HG1 VAL 177 2HG1 VAL 177 -4.940 -4.915 -4.915 1388 3HG1 VAL 177 1HG1 VAL 177 -4.320 -3.292 -3.292 1389 1HG2 VAL 177 1HG2 VAL 177 -1.963 -5.278 -5.278 1390 2HG2 VAL 177 3HG2 VAL 177 -2.072 -4.209 -4.209 1391 3HG2 VAL 177 2HG2 VAL 177 -2.662 -5.853 -5.853 1392 H GLN 178 H GLN 178 -7.077 -5.561 -5.561 1393 HA GLN 178 HA GLN 178 -6.985 -7.772 -7.772 1394 1HB GLN 178 2HB GLN 178 -8.223 -5.568 -5.568 1395 2HB GLN 178 1HB GLN 178 -9.345 -5.953 -5.953 1396 1HG GLN 178 2HG GLN 178 -10.377 -6.673 -6.673 1397 2HG GLN 178 1HG GLN 178 -9.875 -8.136 -8.136 1398 1HE2 GLN 178 2HE2 GLN 178 -7.673 -9.047 -9.047 1399 2HE2 GLN 178 1HE2 GLN 178 -8.317 -9.466 -9.466 1400 H ALA 179 H ALA 179 -8.354 -6.887 -6.887 1401 HA ALA 179 HA ALA 179 -10.188 -8.857 -8.857 1402 1HB ALA 179 2HB ALA 179 -9.679 -6.903 -6.903 1403 2HB ALA 179 1HB ALA 179 -8.142 -7.632 -7.632 1404 3HB ALA 179 3HB ALA 179 -9.628 -8.367 -8.367 1405 H PHE 180 H PHE 180 -6.744 -9.043 -9.043 1406 HA PHE 180 HA PHE 180 -6.979 -11.975 -11.975 1407 1HB PHE 180 2HB PHE 180 -4.984 -11.582 -11.582 1408 2HB PHE 180 1HB PHE 180 -6.578 -11.082 -11.082 1409 HD1 PHE 180 HD1 PHE 180 -3.715 -9.521 -9.521 1410 HD2 PHE 180 HD2 PHE 180 -6.663 -8.975 -8.975 1411 HE1 PHE 180 HE1 PHE 180 -2.924 -7.297 -7.297 1412 HE2 PHE 180 HE2 PHE 180 -5.897 -6.783 -6.783 1413 HZ PHE 180 HZ PHE 180 -3.999 -5.887 -5.887 Start of MODEL 6 1 1H SER 1 1H SER 1 -1.567 3.904 3.904 2 2H SER 1 3H SER 1 -0.166 4.715 4.715 3 3H SER 1 2H SER 1 -1.420 4.324 4.324 4 HA SER 1 HA SER 1 -0.411 2.394 2.394 5 1HB SER 1 2HB SER 1 1.501 2.915 2.915 6 2HB SER 1 1HB SER 1 1.885 2.202 2.202 7 HG SER 1 HG SER 1 2.333 4.251 4.251 8 HA PRO 2 HA PRO 2 -1.558 -0.331 -0.331 9 1HB PRO 2 2HB PRO 2 0.077 -2.500 -2.500 10 2HB PRO 2 1HB PRO 2 -1.314 -2.230 -2.230 11 1HG PRO 2 2HG PRO 2 1.601 -1.359 -1.359 12 2HG PRO 2 1HG PRO 2 0.585 -2.335 -2.335 13 1HD PRO 2 2HD PRO 2 0.759 0.332 0.332 14 2HD PRO 2 1HD PRO 2 -0.828 -0.458 -0.458 15 H LEU 3 H LEU 3 -0.015 -1.611 -1.611 16 HA LEU 3 HA LEU 3 2.052 0.347 0.347 17 1HB LEU 3 2HB LEU 3 0.086 -1.418 -1.418 18 2HB LEU 3 1HB LEU 3 1.537 -0.894 -0.894 19 HG LEU 3 HG LEU 3 -0.457 0.529 0.529 20 1HD1 LEU 3 2HD1 LEU 3 1.820 1.458 1.458 21 2HD1 LEU 3 1HD1 LEU 3 1.808 1.982 1.982 22 3HD1 LEU 3 3HD1 LEU 3 0.706 2.703 2.703 23 1HD2 LEU 3 3HD2 LEU 3 -1.572 0.496 0.496 24 2HD2 LEU 3 2HD2 LEU 3 -1.302 2.132 2.132 25 3HD2 LEU 3 1HD2 LEU 3 -0.259 1.458 1.458 26 HA PRO 4 HA PRO 4 4.585 -3.370 -3.370 27 1HB PRO 4 2HB PRO 4 6.872 -2.407 -2.407 28 2HB PRO 4 1HB PRO 4 6.148 -1.643 -1.643 29 1HG PRO 4 2HG PRO 4 6.071 -0.707 -0.707 30 2HG PRO 4 1HG PRO 4 6.247 0.274 0.274 31 1HD PRO 4 2HD PRO 4 3.756 -0.326 -0.326 32 2HD PRO 4 1HD PRO 4 3.921 0.527 0.527 33 H ILE 5 H ILE 5 6.058 -4.623 -4.623 34 HA ILE 5 HA ILE 5 4.717 -5.898 -5.898 35 HB ILE 5 HB ILE 5 6.834 -6.732 -6.732 36 1HG1 ILE 5 2HG1 ILE 5 7.252 -6.175 -6.175 37 2HG1 ILE 5 1HG1 ILE 5 6.218 -7.442 -7.442 38 1HG2 ILE 5 3HG2 ILE 5 7.996 -4.539 -4.539 39 2HG2 ILE 5 2HG2 ILE 5 8.211 -4.374 -4.374 40 3HG2 ILE 5 1HG2 ILE 5 9.034 -5.650 -5.650 41 1HD1 ILE 5 2HD1 ILE 5 8.191 -8.474 -8.474 42 2HD1 ILE 5 1HD1 ILE 5 9.229 -7.221 -7.221 43 3HD1 ILE 5 3HD1 ILE 5 8.434 -8.351 -8.351 44 H THR 6 H THR 6 3.933 -5.335 -5.335 45 HA THR 6 HA THR 6 5.115 -2.957 -2.957 46 HB THR 6 HB THR 6 2.195 -3.911 -3.911 47 HG1 THR 6 HG1 THR 6 3.454 -2.863 -2.863 48 1HG2 THR 6 2HG2 THR 6 3.465 -1.154 -1.154 49 2HG2 THR 6 1HG2 THR 6 1.777 -1.574 -1.574 50 3HG2 THR 6 3HG2 THR 6 2.973 -2.220 -2.220 51 HA PRO 7 HA PRO 7 5.744 -5.907 -5.907 52 1HB PRO 7 2HB PRO 7 6.427 -4.248 -4.248 53 2HB PRO 7 1HB PRO 7 7.482 -4.436 -4.436 54 1HG PRO 7 2HG PRO 7 5.333 -2.292 -2.292 55 2HG PRO 7 1HG PRO 7 7.035 -2.027 -2.027 56 1HD PRO 7 2HD PRO 7 5.163 -2.032 -2.032 57 2HD PRO 7 1HD PRO 7 6.748 -2.773 -2.773 58 H VAL 8 H VAL 8 3.408 -6.411 -6.411 59 HA VAL 8 HA VAL 8 1.928 -5.661 -5.661 60 HB VAL 8 HB VAL 8 1.033 -4.284 -4.284 61 1HG1 VAL 8 1HG1 VAL 8 1.706 -5.624 -5.624 62 2HG1 VAL 8 3HG1 VAL 8 0.529 -6.858 -6.858 63 3HG1 VAL 8 2HG1 VAL 8 -0.003 -5.253 -5.253 64 1HG2 VAL 8 2HG2 VAL 8 -0.871 -6.554 -6.554 65 2HG2 VAL 8 1HG2 VAL 8 -0.591 -5.101 -5.101 66 3HG2 VAL 8 3HG2 VAL 8 -1.347 -4.992 -4.992 67 H ASN 9 H ASN 9 3.100 -7.621 -7.621 68 HA ASN 9 HA ASN 9 1.731 -10.137 -10.137 69 1HB ASN 9 2HB ASN 9 4.145 -9.790 -9.790 70 2HB ASN 9 1HB ASN 9 3.593 -11.338 -11.338 71 1HD2 ASN 9 2HD2 ASN 9 4.525 -9.301 -9.301 72 2HD2 ASN 9 1HD2 ASN 9 3.076 -9.020 -9.020 73 H ALA 10 H ALA 10 0.056 -9.434 -9.434 74 HA ALA 10 HA ALA 10 -0.110 -10.323 -10.323 75 1HB ALA 10 2HB ALA 10 -1.803 -8.179 -8.179 76 2HB ALA 10 1HB ALA 10 -1.981 -8.676 -8.676 77 3HB ALA 10 3HB ALA 10 -0.529 -7.820 -7.820 78 H THR 11 H THR 11 -0.190 -12.185 -12.185 79 HA THR 11 HA THR 11 -3.002 -12.706 -12.706 80 HB THR 11 HB THR 11 -0.294 -13.602 -13.602 81 HG1 THR 11 HG1 THR 11 -0.929 -12.098 -12.098 82 1HG2 THR 11 3HG2 THR 11 -3.007 -14.527 -14.527 83 2HG2 THR 11 2HG2 THR 11 -1.429 -14.827 -14.827 84 3HG2 THR 11 1HG2 THR 11 -1.858 -15.603 -15.603 85 H CYS 12 H CYS 12 -1.546 -13.216 -13.216 86 HA CYS 12 HA CYS 12 -1.142 -15.042 -15.042 87 1HB CYS 12 2HB CYS 12 -4.008 -14.443 -14.443 88 2HB CYS 12 1HB CYS 12 -3.600 -15.722 -15.722 89 H ALA 13 H ALA 13 -0.714 -16.063 -16.063 90 HA ALA 13 HA ALA 13 -1.892 -18.828 -18.828 91 1HB ALA 13 2HB ALA 13 -0.280 -17.437 -17.437 92 2HB ALA 13 1HB ALA 13 -0.980 -19.047 -19.047 93 3HB ALA 13 3HB ALA 13 -2.022 -17.642 -17.642 94 H ILE 14 H ILE 14 1.069 -17.145 -17.145 95 HA ILE 14 HA ILE 14 2.563 -19.239 -19.239 96 HB ILE 14 HB ILE 14 4.462 -18.895 -18.895 97 1HG1 ILE 14 2HG1 ILE 14 4.455 -16.447 -16.447 98 2HG1 ILE 14 1HG1 ILE 14 4.587 -17.255 -17.255 99 1HG2 ILE 14 1HG2 ILE 14 2.733 -20.343 -20.343 100 2HG2 ILE 14 3HG2 ILE 14 1.938 -18.981 -18.981 101 3HG2 ILE 14 2HG2 ILE 14 3.539 -19.467 -19.467 102 1HD1 ILE 14 2HD1 ILE 14 2.134 -16.830 -16.830 103 2HD1 ILE 14 1HD1 ILE 14 2.069 -15.904 -15.904 104 3HD1 ILE 14 3HD1 ILE 14 3.081 -15.367 -15.367 105 H ARG 15 H ARG 15 1.188 -16.586 -16.586 106 HA ARG 15 HA ARG 15 3.460 -15.066 -15.066 107 1HB ARG 15 2HB ARG 15 1.898 -14.009 -14.009 108 2HB ARG 15 1HB ARG 15 0.609 -14.145 -14.145 109 1HG ARG 15 2HG ARG 15 2.980 -12.934 -12.934 110 2HG ARG 15 1HG ARG 15 2.518 -12.110 -12.110 111 1HD ARG 15 2HD ARG 15 0.309 -11.524 -11.524 112 2HD ARG 15 1HD ARG 15 0.392 -12.847 -12.847 113 HE ARG 15 HE ARG 15 1.407 -11.506 -11.506 114 1HH1 ARG 15 2HH1 ARG 15 2.055 -10.427 -10.427 115 2HH1 ARG 15 1HH1 ARG 15 3.022 -9.072 -9.072 116 1HH2 ARG 15 1HH2 ARG 15 2.680 -9.626 -9.626 117 2HH2 ARG 15 2HH2 ARG 15 3.335 -8.578 -8.578 118 H HIS 16 H HIS 16 2.096 -17.441 -17.441 119 HA HIS 16 HA HIS 16 1.597 -15.911 -15.911 120 1HB HIS 16 2HB HIS 16 -0.168 -17.565 -17.565 121 2HB HIS 16 1HB HIS 16 -0.568 -16.689 -16.689 122 HD1 HIS 16 HD1 HIS 16 -0.631 -18.224 -18.224 123 HD2 HIS 16 HD2 HIS 16 0.586 -20.253 -20.253 124 HE1 HIS 16 HE1 HIS 16 -0.597 -20.602 -20.602 125 HA PRO 17 HA PRO 17 4.414 -19.637 -19.637 126 1HB PRO 17 2HB PRO 17 6.923 -18.687 -18.687 127 2HB PRO 17 1HB PRO 17 5.992 -18.885 -18.885 128 1HG PRO 17 2HG PRO 17 6.295 -16.339 -16.339 129 2HG PRO 17 1HG PRO 17 6.614 -16.503 -16.503 130 1HD PRO 17 2HD PRO 17 4.179 -15.589 -15.589 131 2HD PRO 17 1HD PRO 17 4.296 -16.628 -16.628 132 H CYS 18 H CYS 18 3.647 -17.108 -17.108 133 HA CYS 18 HA CYS 18 5.476 -17.489 -17.489 134 1HB CYS 18 2HB CYS 18 2.944 -15.915 -15.915 135 2HB CYS 18 1HB CYS 18 4.017 -15.795 -15.795 136 H HIS 19 H HIS 19 5.283 -19.183 -19.183 137 HA HIS 19 HA HIS 19 2.597 -20.232 -20.232 138 1HB HIS 19 2HB HIS 19 5.245 -21.768 -21.768 139 2HB HIS 19 1HB HIS 19 3.692 -22.473 -22.473 140 HD1 HIS 19 HD1 HIS 19 5.229 -20.670 -20.670 141 HD2 HIS 19 HD2 HIS 19 2.337 -23.443 -23.443 142 HE1 HIS 19 HE1 HIS 19 4.360 -21.497 -21.497 143 H GLY 20 H GLY 20 3.558 -21.904 -21.904 144 1HA GLY 20 2HA GLY 20 4.417 -21.954 -21.954 145 2HA GLY 20 1HA GLY 20 5.219 -20.427 -20.427 146 H ASN 21 H ASN 21 3.732 -18.546 -18.546 147 HA ASN 21 HA ASN 21 1.411 -18.819 -18.819 148 1HB ASN 21 2HB ASN 21 3.770 -16.935 -16.935 149 2HB ASN 21 1HB ASN 21 2.205 -16.627 -16.627 150 1HD2 ASN 21 2HD2 ASN 21 4.629 -19.113 -19.113 151 2HD2 ASN 21 1HD2 ASN 21 5.157 -18.027 -18.027 152 H LEU 22 H LEU 22 3.086 -16.095 -16.095 153 HA LEU 22 HA LEU 22 2.465 -14.256 -14.256 154 1HB LEU 22 2HB LEU 22 1.973 -16.246 -16.246 155 2HB LEU 22 1HB LEU 22 0.284 -16.052 -16.052 156 HG LEU 22 HG LEU 22 2.074 -13.860 -13.860 157 1HD1 LEU 22 3HD1 LEU 22 1.692 -15.789 -15.789 158 2HD1 LEU 22 2HD1 LEU 22 -0.020 -15.631 -15.631 159 3HD1 LEU 22 1HD1 LEU 22 0.891 -14.354 -14.354 160 1HD2 LEU 22 2HD2 LEU 22 -0.956 -13.960 -13.960 161 2HD2 LEU 22 1HD2 LEU 22 0.163 -12.895 -12.895 162 3HD2 LEU 22 3HD2 LEU 22 -0.108 -12.698 -12.698 163 H MET 23 H MET 23 -0.791 -15.730 -15.730 164 HA MET 23 HA MET 23 -2.169 -13.377 -13.377 165 1HB MET 23 2HB MET 23 -2.565 -16.064 -16.064 166 2HB MET 23 1HB MET 23 -3.711 -14.747 -14.747 167 1HG MET 23 2HG MET 23 -4.451 -16.252 -16.252 168 2HG MET 23 1HG MET 23 -3.888 -14.779 -14.779 169 1HE MET 23 1HE MET 23 -2.706 -18.082 -18.082 170 2HE MET 23 3HE MET 23 -3.535 -18.766 -18.766 171 3HE MET 23 2HE MET 23 -1.766 -18.791 -18.791 172 H ASN 24 H ASN 24 -0.749 -15.320 -15.320 173 HA ASN 24 HA ASN 24 -1.244 -13.074 -13.074 174 1HB ASN 24 2HB ASN 24 -0.050 -14.473 -14.473 175 2HB ASN 24 1HB ASN 24 -1.328 -15.375 -15.375 176 1HD2 ASN 24 2HD2 ASN 24 1.009 -17.898 -17.898 177 2HD2 ASN 24 1HD2 ASN 24 -0.552 -17.501 -17.501 178 H GLN 25 H GLN 25 0.933 -13.213 -13.213 179 HA GLN 25 HA GLN 25 3.242 -12.146 -12.146 180 1HB GLN 25 2HB GLN 25 4.069 -13.391 -13.391 181 2HB GLN 25 1HB GLN 25 2.785 -12.928 -12.928 182 1HG GLN 25 2HG GLN 25 4.880 -10.887 -10.887 183 2HG GLN 25 1HG GLN 25 5.142 -11.998 -11.998 184 1HE2 GLN 25 2HE2 GLN 25 3.335 -8.779 -8.779 185 2HE2 GLN 25 1HE2 GLN 25 4.597 -8.885 -8.885 186 H ILE 26 H ILE 26 1.144 -11.072 -11.072 187 HA ILE 26 HA ILE 26 1.664 -8.329 -8.329 188 HB ILE 26 HB ILE 26 -0.709 -7.865 -7.865 189 1HG1 ILE 26 2HG1 ILE 26 -0.957 -10.893 -10.893 190 2HG1 ILE 26 1HG1 ILE 26 -1.768 -9.992 -9.992 191 1HG2 ILE 26 3HG2 ILE 26 1.242 -8.363 -8.363 192 2HG2 ILE 26 2HG2 ILE 26 0.709 -10.039 -10.039 193 3HG2 ILE 26 1HG2 ILE 26 -0.301 -8.776 -8.776 194 1HD1 ILE 26 2HD1 ILE 26 -2.101 -9.440 -9.440 195 2HD1 ILE 26 1HD1 ILE 26 -3.241 -10.254 -10.254 196 3HD1 ILE 26 3HD1 ILE 26 -2.910 -8.571 -8.571 197 H LYS 27 H LYS 27 -0.373 -10.448 -10.448 198 HA LYS 27 HA LYS 27 -1.828 -8.511 -8.511 199 1HB LYS 27 2HB LYS 27 -2.336 -10.987 -10.987 200 2HB LYS 27 1HB LYS 27 -0.857 -11.271 -11.271 201 1HG LYS 27 2HG LYS 27 -1.742 -9.727 -9.727 202 2HG LYS 27 1HG LYS 27 -3.245 -9.648 -9.648 203 1HD LYS 27 2HD LYS 27 -3.742 -11.439 -11.439 204 2HD LYS 27 1HD LYS 27 -3.205 -12.283 -12.283 205 1HE LYS 27 2HE LYS 27 -2.155 -13.250 -13.250 206 2HE LYS 27 1HE LYS 27 -0.948 -12.554 -12.554 207 1HZ LYS 27 1HZ LYS 27 -1.791 -10.501 -10.501 208 2HZ LYS 27 3HZ LYS 27 -1.529 -11.857 -11.857 209 3HZ LYS 27 2HZ LYS 27 -0.285 -11.286 -11.286 210 H ASN 28 H ASN 28 0.906 -10.404 -10.404 211 HA ASN 28 HA ASN 28 1.604 -9.019 -9.019 212 1HB ASN 28 2HB ASN 28 2.951 -11.025 -11.025 213 2HB ASN 28 1HB ASN 28 3.983 -10.110 -10.110 214 1HD2 ASN 28 2HD2 ASN 28 3.074 -12.579 -12.579 215 2HD2 ASN 28 1HD2 ASN 28 4.345 -11.976 -11.976 216 H GLN 29 H GLN 29 2.365 -8.187 -8.187 217 HA GLN 29 HA GLN 29 4.422 -6.300 -6.300 218 1HB GLN 29 2HB GLN 29 3.220 -6.775 -6.775 219 2HB GLN 29 1HB GLN 29 4.313 -5.432 -5.432 220 1HG GLN 29 2HG GLN 29 5.850 -7.333 -7.333 221 2HG GLN 29 1HG GLN 29 4.877 -8.402 -8.402 222 1HE2 GLN 29 2HE2 GLN 29 7.626 -6.026 -6.026 223 2HE2 GLN 29 1HE2 GLN 29 7.381 -5.982 -5.982 224 H LEU 30 H LEU 30 1.277 -6.133 -6.133 225 HA LEU 30 HA LEU 30 0.572 -3.554 -3.554 226 1HB LEU 30 2HB LEU 30 -0.944 -5.808 -5.808 227 2HB LEU 30 1HB LEU 30 -1.373 -5.303 -5.303 228 HG LEU 30 HG LEU 30 -3.004 -4.461 -4.461 229 1HD1 LEU 30 3HD1 LEU 30 -2.266 -2.743 -2.743 230 2HD1 LEU 30 2HD1 LEU 30 -1.124 -2.115 -2.115 231 3HD1 LEU 30 1HD1 LEU 30 -2.841 -2.062 -2.062 232 1HD2 LEU 30 2HD2 LEU 30 -1.732 -4.726 -4.726 233 2HD2 LEU 30 1HD2 LEU 30 -2.432 -3.124 -3.124 234 3HD2 LEU 30 3HD2 LEU 30 -0.726 -3.344 -3.344 235 H ALA 31 H ALA 31 0.520 -5.424 -5.424 236 HA ALA 31 HA ALA 31 -0.328 -3.590 -3.590 237 1HB ALA 31 2HB ALA 31 1.979 -5.565 -5.565 238 2HB ALA 31 1HB ALA 31 1.086 -4.835 -4.835 239 3HB ALA 31 3HB ALA 31 0.272 -5.936 -5.936 240 H GLN 32 H GLN 32 2.925 -4.039 -4.039 241 HA GLN 32 HA GLN 32 4.313 -2.031 -2.031 242 1HB GLN 32 2HB GLN 32 4.844 -2.942 -2.942 243 2HB GLN 32 1HB GLN 32 6.019 -2.217 -2.217 244 1HG GLN 32 2HG GLN 32 5.804 -4.166 -4.166 245 2HG GLN 32 1HG GLN 32 4.616 -4.899 -4.899 246 1HE2 GLN 32 2HE2 GLN 32 8.387 -5.696 -5.696 247 2HE2 GLN 32 1HE2 GLN 32 7.794 -5.145 -5.145 248 H LEU 33 H LEU 33 2.097 -1.804 -1.804 249 HA LEU 33 HA LEU 33 2.706 1.043 1.043 250 1HB LEU 33 2HB LEU 33 0.486 -0.601 -0.601 251 2HB LEU 33 1HB LEU 33 1.457 0.649 0.649 252 HG LEU 33 HG LEU 33 2.376 -2.202 -2.202 253 1HD1 LEU 33 3HD1 LEU 33 1.098 -1.935 -1.935 254 2HD1 LEU 33 2HD1 LEU 33 2.249 -0.731 -0.731 255 3HD1 LEU 33 1HD1 LEU 33 2.760 -2.399 -2.399 256 1HD2 LEU 33 1HD2 LEU 33 4.266 -0.541 -0.541 257 2HD2 LEU 33 3HD2 LEU 33 4.585 -1.670 -1.670 258 3HD2 LEU 33 2HD2 LEU 33 4.163 -0.017 -0.017 259 H ASN 34 H ASN 34 0.132 -1.055 -1.055 260 HA ASN 34 HA ASN 34 -1.963 0.735 0.735 261 1HB ASN 34 2HB ASN 34 -1.952 -1.672 -1.672 262 2HB ASN 34 1HB ASN 34 -0.747 -1.408 -1.408 263 1HD2 ASN 34 2HD2 ASN 34 -4.070 0.454 0.454 264 2HD2 ASN 34 1HD2 ASN 34 -3.236 1.007 1.007 265 H GLY 35 H GLY 35 0.771 -0.056 -0.056 266 1HA GLY 35 2HA GLY 35 0.749 1.829 1.829 267 2HA GLY 35 1HA GLY 35 2.243 1.191 1.191 268 H SER 36 H SER 36 2.011 2.259 2.259 269 HA SER 36 HA SER 36 2.867 5.001 5.001 270 1HB SER 36 2HB SER 36 3.581 5.045 5.045 271 2HB SER 36 1HB SER 36 3.994 3.479 3.479 272 HG SER 36 HG SER 36 1.493 3.373 3.373 273 H ALA 37 H ALA 37 0.038 3.507 3.507 274 HA ALA 37 HA ALA 37 -1.167 5.616 5.616 275 1HB ALA 37 2HB ALA 37 -2.115 3.244 3.244 276 2HB ALA 37 1HB ALA 37 -2.551 3.676 3.676 277 3HB ALA 37 3HB ALA 37 -3.251 4.551 4.551 278 H ASN 38 H ASN 38 -0.939 4.861 4.861 279 HA ASN 38 HA ASN 38 -2.286 7.399 7.399 280 1HB ASN 38 2HB ASN 38 -2.674 5.328 5.328 281 2HB ASN 38 1HB ASN 38 -0.968 5.251 5.251 282 1HD2 ASN 38 2HD2 ASN 38 -1.974 8.589 8.589 283 2HD2 ASN 38 1HD2 ASN 38 -1.445 8.595 8.595 284 H ALA 39 H ALA 39 0.897 5.847 5.847 285 HA ALA 39 HA ALA 39 2.146 8.188 8.188 286 1HB ALA 39 3HB ALA 39 3.340 5.674 5.674 287 2HB ALA 39 2HB ALA 39 4.255 6.861 6.861 288 3HB ALA 39 1HB ALA 39 2.977 5.942 5.942 289 H LEU 40 H LEU 40 2.746 6.833 6.833 290 HA LEU 40 HA LEU 40 4.379 8.976 8.976 291 1HB LEU 40 2HB LEU 40 4.402 6.999 6.999 292 2HB LEU 40 1HB LEU 40 2.660 6.865 6.865 293 HG LEU 40 HG LEU 40 3.964 7.512 7.512 294 1HD1 LEU 40 1HD1 LEU 40 1.470 9.056 9.056 295 2HD1 LEU 40 3HD1 LEU 40 2.019 8.868 8.868 296 3HD1 LEU 40 2HD1 LEU 40 1.560 7.460 7.460 297 1HD2 LEU 40 1HD2 LEU 40 3.733 10.216 10.216 298 2HD2 LEU 40 3HD2 LEU 40 5.230 9.457 9.457 299 3HD2 LEU 40 2HD2 LEU 40 4.061 9.960 9.960 300 H PHE 41 H PHE 41 0.889 8.359 8.359 301 HA PHE 41 HA PHE 41 0.110 10.701 10.701 302 1HB PHE 41 2HB PHE 41 -1.569 9.080 9.080 303 2HB PHE 41 1HB PHE 41 -1.261 9.365 9.365 304 HD1 PHE 41 HD1 PHE 41 -1.633 11.870 11.870 305 HD2 PHE 41 HD2 PHE 41 -3.311 10.236 10.236 306 HE1 PHE 41 HE1 PHE 41 -3.309 13.596 13.596 307 HE2 PHE 41 HE2 PHE 41 -5.009 11.979 11.979 308 HZ PHE 41 HZ PHE 41 -4.984 13.701 13.701 309 H ILE 42 H ILE 42 0.366 10.435 10.435 310 HA ILE 42 HA ILE 42 -0.045 13.233 13.233 311 HB ILE 42 HB ILE 42 1.167 10.959 10.959 312 1HG1 ILE 42 2HG1 ILE 42 -0.853 10.865 10.865 313 2HG1 ILE 42 1HG1 ILE 42 -1.138 12.585 12.585 314 1HG2 ILE 42 2HG2 ILE 42 0.914 13.834 13.834 315 2HG2 ILE 42 1HG2 ILE 42 1.308 12.445 12.445 316 3HG2 ILE 42 3HG2 ILE 42 2.418 12.971 12.971 317 1HD1 ILE 42 1HD1 ILE 42 -1.454 10.754 10.754 318 2HD1 ILE 42 3HD1 ILE 42 -2.791 11.260 11.260 319 3HD1 ILE 42 2HD1 ILE 42 -1.849 12.332 12.332 320 H SER 43 H SER 43 2.875 11.387 11.387 321 HA SER 43 HA SER 43 4.649 13.614 13.614 322 1HB SER 43 2HB SER 43 5.174 11.072 11.072 323 2HB SER 43 1HB SER 43 5.345 10.904 10.904 324 HG SER 43 HG SER 43 6.757 13.006 13.006 325 H TYR 44 H TYR 44 2.842 12.573 12.573 326 HA TYR 44 HA TYR 44 4.599 13.647 13.647 327 1HB TYR 44 2HB TYR 44 3.593 11.889 11.889 328 2HB TYR 44 1HB TYR 44 2.238 11.803 11.803 329 HD1 TYR 44 HD2 TYR 44 3.516 13.537 13.537 330 HD2 TYR 44 HD1 TYR 44 0.106 12.776 12.776 331 HE1 TYR 44 HE2 TYR 44 2.230 14.510 14.510 332 HE2 TYR 44 HE1 TYR 44 -1.193 13.729 13.729 333 HH TYR 44 HH TYR 44 -0.068 15.745 15.745 334 H TYR 45 H TYR 45 1.314 13.912 13.912 335 HA TYR 45 HA TYR 45 0.720 16.442 16.442 336 1HB TYR 45 2HB TYR 45 -1.460 16.166 16.166 337 2HB TYR 45 1HB TYR 45 -0.913 14.537 14.537 338 HD1 TYR 45 HD2 TYR 45 -0.346 17.538 17.538 339 HD2 TYR 45 HD1 TYR 45 -2.042 13.621 13.621 340 HE1 TYR 45 HE2 TYR 45 -0.890 17.701 17.701 341 HE2 TYR 45 HE1 TYR 45 -2.628 13.878 13.878 342 HH TYR 45 HH TYR 45 -2.169 16.768 16.768 343 H THR 46 H THR 46 1.871 15.651 15.651 344 HA THR 46 HA THR 46 1.755 18.308 18.308 345 HB THR 46 HB THR 46 3.963 17.703 17.703 346 HG1 THR 46 HG1 THR 46 3.369 15.389 15.389 347 1HG2 THR 46 1HG2 THR 46 1.540 15.835 15.835 348 2HG2 THR 46 3HG2 THR 46 2.795 16.031 16.031 349 3HG2 THR 46 2HG2 THR 46 1.731 17.371 17.371 350 H ALA 47 H ALA 47 4.112 17.028 17.028 351 HA ALA 47 HA ALA 47 5.792 19.393 19.393 352 1HB ALA 47 2HB ALA 47 6.675 17.220 17.220 353 2HB ALA 47 1HB ALA 47 5.599 17.316 17.316 354 3HB ALA 47 3HB ALA 47 6.899 18.487 18.487 355 H GLN 48 H GLN 48 2.962 18.573 18.573 356 HA GLN 48 HA GLN 48 3.271 20.373 20.373 357 1HB GLN 48 2HB GLN 48 0.875 19.400 19.400 358 2HB GLN 48 1HB GLN 48 0.626 20.741 20.741 359 1HG GLN 48 2HG GLN 48 0.215 18.691 18.691 360 2HG GLN 48 1HG GLN 48 1.678 19.389 19.389 361 1HE2 GLN 48 2HE2 GLN 48 3.684 16.786 16.786 362 2HE2 GLN 48 1HE2 GLN 48 3.791 18.457 18.457 363 H GLY 49 H GLY 49 2.031 21.226 21.226 364 1HA GLY 49 2HA GLY 49 2.588 23.384 23.384 365 2HA GLY 49 1HA GLY 49 2.361 24.110 24.110 366 H GLU 50 H GLU 50 0.641 24.757 24.757 367 HA GLU 50 HA GLU 50 -1.771 23.162 23.162 368 1HB GLU 50 2HB GLU 50 -2.713 24.714 24.714 369 2HB GLU 50 1HB GLU 50 -1.219 23.941 23.941 370 1HG GLU 50 2HG GLU 50 -0.905 26.172 26.172 371 2HG GLU 50 1HG GLU 50 -0.041 26.121 26.121 372 HA PRO 51 HA PRO 51 -4.396 24.794 24.794 373 1HB PRO 51 2HB PRO 51 -6.651 24.641 24.641 374 2HB PRO 51 1HB PRO 51 -5.936 26.192 26.192 375 1HG PRO 51 2HG PRO 51 -5.468 24.591 24.591 376 2HG PRO 51 1HG PRO 51 -6.020 26.270 26.270 377 1HD PRO 51 2HD PRO 51 -3.376 25.807 25.807 378 2HD PRO 51 1HD PRO 51 -3.863 27.034 27.034 379 H PHE 52 H PHE 52 -3.191 22.799 22.799 380 HA PHE 52 HA PHE 52 -4.514 20.441 20.441 381 1HB PHE 52 2HB PHE 52 -1.656 21.203 21.203 382 2HB PHE 52 1HB PHE 52 -1.922 19.602 19.602 383 HD1 PHE 52 HD1 PHE 52 -3.913 21.247 21.247 384 HD2 PHE 52 HD2 PHE 52 -1.046 18.312 18.312 385 HE1 PHE 52 HE1 PHE 52 -4.002 20.258 20.258 386 HE2 PHE 52 HE2 PHE 52 -1.145 17.334 17.334 387 HZ PHE 52 HZ PHE 52 -2.586 18.305 18.305 388 HA PRO 53 HA PRO 53 -2.887 18.494 18.494 389 1HB PRO 53 2HB PRO 53 -2.053 20.328 20.328 390 2HB PRO 53 1HB PRO 53 -0.939 19.459 19.459 391 1HG PRO 53 2HG PRO 53 -2.166 22.231 22.231 392 2HG PRO 53 1HG PRO 53 -0.466 21.770 21.770 393 1HD PRO 53 2HD PRO 53 -1.811 21.882 21.882 394 2HD PRO 53 1HD PRO 53 -0.880 20.400 20.400 395 H ASN 54 H ASN 54 -4.652 21.135 21.135 396 HA ASN 54 HA ASN 54 -6.601 20.503 20.503 397 1HB ASN 54 2HB ASN 54 -5.483 22.762 22.762 398 2HB ASN 54 1HB ASN 54 -6.218 23.214 23.214 399 1HD2 ASN 54 2HD2 ASN 54 -9.409 23.688 23.688 400 2HD2 ASN 54 1HD2 ASN 54 -8.578 23.603 23.603 401 H ASN 55 H ASN 55 -6.308 20.961 20.961 402 HA ASN 55 HA ASN 55 -9.281 20.522 20.522 403 1HB ASN 55 2HB ASN 55 -7.448 22.069 22.069 404 2HB ASN 55 1HB ASN 55 -9.166 21.771 21.771 405 1HD2 ASN 55 2HD2 ASN 55 -8.243 24.962 24.962 406 2HD2 ASN 55 1HD2 ASN 55 -7.102 24.171 24.171 407 H LEU 56 H LEU 56 -6.729 18.888 18.888 408 HA LEU 56 HA LEU 56 -6.509 17.581 17.581 409 1HB LEU 56 2HB LEU 56 -5.205 15.912 15.912 410 2HB LEU 56 1HB LEU 56 -4.975 17.363 17.363 411 HG LEU 56 HG LEU 56 -6.932 16.557 16.557 412 1HD1 LEU 56 1HD1 LEU 56 -7.709 14.585 14.585 413 2HD1 LEU 56 3HD1 LEU 56 -6.139 13.884 13.884 414 3HD1 LEU 56 2HD1 LEU 56 -7.216 14.103 14.103 415 1HD2 LEU 56 3HD2 LEU 56 -4.417 16.443 16.443 416 2HD2 LEU 56 2HD2 LEU 56 -5.273 15.065 15.065 417 3HD2 LEU 56 1HD2 LEU 56 -4.403 14.897 14.897 418 H ASP 57 H ASP 57 -8.802 17.447 17.447 419 HA ASP 57 HA ASP 57 -9.973 15.026 15.026 420 1HB ASP 57 2HB ASP 57 -10.916 15.899 15.899 421 2HB ASP 57 1HB ASP 57 -10.803 17.562 17.562 422 H LYS 58 H LYS 58 -10.537 18.056 18.056 423 HA LYS 58 HA LYS 58 -12.448 16.757 16.757 424 1HB LYS 58 2HB LYS 58 -11.953 19.679 19.679 425 2HB LYS 58 1HB LYS 58 -12.700 19.247 19.247 426 1HG LYS 58 2HG LYS 58 -13.893 18.759 18.759 427 2HG LYS 58 1HG LYS 58 -14.428 19.817 19.817 428 1HD LYS 58 2HD LYS 58 -15.825 18.218 18.218 429 2HD LYS 58 1HD LYS 58 -14.438 17.403 17.403 430 1HE LYS 58 2HE LYS 58 -15.971 16.812 16.812 431 2HE LYS 58 1HE LYS 58 -15.518 15.694 15.694 432 1HZ LYS 58 1HZ LYS 58 -13.280 16.924 16.924 433 2HZ LYS 58 3HZ LYS 58 -14.206 16.140 16.140 434 3HZ LYS 58 2HZ LYS 58 -13.514 15.267 15.267 435 H LEU 59 H LEU 59 -9.298 18.166 18.166 436 HA LEU 59 HA LEU 59 -9.131 18.082 18.082 437 1HB LEU 59 2HB LEU 59 -7.236 19.123 19.123 438 2HB LEU 59 1HB LEU 59 -6.853 19.106 19.106 439 HG LEU 59 HG LEU 59 -8.006 21.066 21.066 440 1HD1 LEU 59 2HD1 LEU 59 -10.285 19.979 19.979 441 2HD1 LEU 59 1HD1 LEU 59 -10.270 20.262 20.262 442 3HD1 LEU 59 3HD1 LEU 59 -10.253 21.612 21.612 443 1HD2 LEU 59 1HD2 LEU 59 -8.251 20.966 20.966 444 2HD2 LEU 59 3HD2 LEU 59 -6.865 21.566 21.566 445 3HD2 LEU 59 2HD2 LEU 59 -8.388 22.440 22.440 446 H CYS 60 H CYS 60 -8.352 16.269 16.269 447 HA CYS 60 HA CYS 60 -6.689 14.367 14.367 448 1HB CYS 60 2HB CYS 60 -6.112 15.182 15.182 449 2HB CYS 60 1HB CYS 60 -5.230 14.126 14.126 450 H GLY 61 H GLY 61 -9.601 13.713 13.713 451 1HA GLY 61 2HA GLY 61 -8.939 11.498 11.498 452 2HA GLY 61 1HA GLY 61 -10.073 12.674 12.674 453 HA PRO 62 HA PRO 62 -12.819 10.860 10.860 454 1HB PRO 62 2HB PRO 62 -11.974 9.870 9.870 455 2HB PRO 62 1HB PRO 62 -12.006 11.601 11.601 456 1HG PRO 62 2HG PRO 62 -9.576 9.787 9.787 457 2HG PRO 62 1HG PRO 62 -9.621 11.071 11.071 458 1HD PRO 62 2HD PRO 62 -8.780 11.517 11.517 459 2HD PRO 62 1HD PRO 62 -9.948 12.683 12.683 460 H ASN 63 H ASN 63 -13.290 8.897 8.897 461 HA ASN 63 HA ASN 63 -12.456 6.333 6.333 462 1HB ASN 63 2HB ASN 63 -14.889 5.804 5.804 463 2HB ASN 63 1HB ASN 63 -14.352 7.177 7.177 464 1HD2 ASN 63 2HD2 ASN 63 -17.541 7.927 7.927 465 2HD2 ASN 63 1HD2 ASN 63 -17.112 6.508 6.508 466 H VAL 64 H VAL 64 -14.584 7.913 7.913 467 HA VAL 64 HA VAL 64 -14.096 5.788 5.788 468 HB VAL 64 HB VAL 64 -16.619 7.485 7.485 469 1HG1 VAL 64 2HG1 VAL 64 -16.102 5.115 5.115 470 2HG1 VAL 64 1HG1 VAL 64 -17.641 5.943 5.943 471 3HG1 VAL 64 3HG1 VAL 64 -16.272 6.778 6.778 472 1HG2 VAL 64 1HG2 VAL 64 -16.100 4.554 4.554 473 2HG2 VAL 64 3HG2 VAL 64 -16.332 5.820 5.820 474 3HG2 VAL 64 2HG2 VAL 64 -17.656 5.361 5.361 475 H THR 65 H THR 65 -15.439 9.094 9.094 476 HA THR 65 HA THR 65 -15.124 10.840 10.840 477 HB THR 65 HB THR 65 -13.245 11.249 11.249 478 HG1 THR 65 HG1 THR 65 -13.368 12.190 12.190 479 1HG2 THR 65 1HG2 THR 65 -11.452 9.557 9.557 480 2HG2 THR 65 3HG2 THR 65 -10.941 10.513 10.513 481 3HG2 THR 65 2HG2 THR 65 -11.943 9.105 9.105 482 H ASP 66 H ASP 66 -12.352 10.557 10.557 483 HA ASP 66 HA ASP 66 -13.820 9.122 9.122 484 1HB ASP 66 2HB ASP 66 -12.331 11.568 11.568 485 2HB ASP 66 1HB ASP 66 -11.358 10.437 10.437 486 H PHE 67 H PHE 67 -12.349 7.962 7.962 487 HA PHE 67 HA PHE 67 -10.264 6.290 6.290 488 1HB PHE 67 2HB PHE 67 -9.265 6.926 6.926 489 2HB PHE 67 1HB PHE 67 -10.802 7.336 7.336 490 HD1 PHE 67 HD1 PHE 67 -8.377 4.524 4.524 491 HD2 PHE 67 HD2 PHE 67 -12.104 5.727 5.727 492 HE1 PHE 67 HE1 PHE 67 -8.451 2.501 2.501 493 HE2 PHE 67 HE2 PHE 67 -12.172 3.695 3.695 494 HZ PHE 67 HZ PHE 67 -10.388 2.087 2.087 495 HA PRO 68 HA PRO 68 -13.730 3.463 3.463 496 1HB PRO 68 2HB PRO 68 -12.669 1.134 1.134 497 2HB PRO 68 1HB PRO 68 -12.663 2.560 2.560 498 1HG PRO 68 2HG PRO 68 -10.422 1.595 1.595 499 2HG PRO 68 1HG PRO 68 -10.262 1.954 1.954 500 1HD PRO 68 2HD PRO 68 -9.660 3.828 3.828 501 2HD PRO 68 1HD PRO 68 -10.331 4.323 4.323 502 HA PRO 69 HA PRO 69 -13.485 2.001 2.001 503 1HB PRO 69 2HB PRO 69 -15.992 1.071 1.071 504 2HB PRO 69 1HB PRO 69 -15.721 2.773 2.773 505 1HG PRO 69 2HG PRO 69 -16.374 0.478 0.478 506 2HG PRO 69 1HG PRO 69 -17.264 1.991 1.991 507 1HD PRO 69 2HD PRO 69 -15.307 1.733 1.733 508 2HD PRO 69 1HD PRO 69 -15.519 3.281 3.281 509 H PHE 70 H PHE 70 -13.397 0.045 0.045 510 HA PHE 70 HA PHE 70 -13.054 -2.482 -2.482 511 1HB PHE 70 2HB PHE 70 -11.006 -1.255 -1.255 512 2HB PHE 70 1HB PHE 70 -11.618 -1.592 -1.592 513 HD1 PHE 70 HD1 PHE 70 -12.239 -4.246 -4.246 514 HD2 PHE 70 HD2 PHE 70 -9.368 -2.674 -2.674 515 HE1 PHE 70 HE1 PHE 70 -11.089 -6.413 -6.413 516 HE2 PHE 70 HE2 PHE 70 -8.233 -4.847 -4.847 517 HZ PHE 70 HZ PHE 70 -9.050 -6.677 -6.677 518 H HIS 71 H HIS 71 -14.654 -3.905 -3.905 519 HA HIS 71 HA HIS 71 -15.811 -3.828 -3.828 520 1HB HIS 71 2HB HIS 71 -18.028 -4.283 -4.283 521 2HB HIS 71 1HB HIS 71 -17.364 -2.717 -2.717 522 HD1 HIS 71 HD1 HIS 71 -17.588 -6.151 -6.151 523 HD2 HIS 71 HD2 HIS 71 -17.069 -2.342 -2.342 524 HE1 HIS 71 HE1 HIS 71 -17.656 -6.271 -6.271 525 H ALA 72 H ALA 72 -14.084 -5.437 -5.437 526 HA ALA 72 HA ALA 72 -13.543 -7.792 -7.792 527 1HB ALA 72 3HB ALA 72 -12.773 -7.242 -7.242 528 2HB ALA 72 2HB ALA 72 -14.402 -7.589 -7.589 529 3HB ALA 72 1HB ALA 72 -13.426 -8.881 -8.881 530 H ASN 73 H ASN 73 -15.173 -8.456 -8.456 531 HA ASN 73 HA ASN 73 -17.587 -9.649 -9.649 532 1HB ASN 73 2HB ASN 73 -16.904 -8.764 -8.764 533 2HB ASN 73 1HB ASN 73 -17.920 -10.188 -10.188 534 1HD2 ASN 73 2HD2 ASN 73 -20.768 -8.250 -8.250 535 2HD2 ASN 73 1HD2 ASN 73 -20.096 -9.686 -9.686 536 H GLY 74 H GLY 74 -15.728 -10.637 -10.637 537 1HA GLY 74 2HA GLY 74 -14.137 -12.375 -12.375 538 2HA GLY 74 1HA GLY 74 -15.656 -13.273 -13.273 539 H THR 75 H THR 75 -13.808 -11.669 -11.669 540 HA THR 75 HA THR 75 -13.496 -14.261 -14.261 541 HB THR 75 HB THR 75 -13.188 -12.224 -12.224 542 HG1 THR 75 HG1 THR 75 -15.447 -11.644 -11.644 543 1HG2 THR 75 3HG2 THR 75 -15.631 -13.728 -13.728 544 2HG2 THR 75 2HG2 THR 75 -15.346 -13.032 -13.032 545 3HG2 THR 75 1HG2 THR 75 -14.340 -14.355 -14.355 546 H GLU 76 H GLU 76 -11.688 -14.864 -14.864 547 HA GLU 76 HA GLU 76 -9.388 -13.585 -13.585 548 1HB GLU 76 2HB GLU 76 -9.034 -15.457 -15.457 549 2HB GLU 76 1HB GLU 76 -8.008 -15.331 -15.331 550 1HG GLU 76 2HG GLU 76 -9.493 -16.612 -16.612 551 2HG GLU 76 1HG GLU 76 -10.846 -16.494 -16.494 552 H LYS 77 H LYS 77 -9.950 -14.145 -14.145 553 HA LYS 77 HA LYS 77 -8.098 -12.355 -12.355 554 1HB LYS 77 2HB LYS 77 -10.722 -13.365 -13.365 555 2HB LYS 77 1HB LYS 77 -9.379 -12.680 -12.680 556 1HG LYS 77 2HG LYS 77 -8.615 -14.865 -14.865 557 2HG LYS 77 1HG LYS 77 -8.054 -14.672 -14.672 558 1HD LYS 77 2HD LYS 77 -10.172 -15.669 -15.669 559 2HD LYS 77 1HD LYS 77 -10.791 -15.807 -15.807 560 1HE LYS 77 2HE LYS 77 -9.050 -17.404 -17.404 561 2HE LYS 77 1HE LYS 77 -8.237 -17.162 -17.162 562 1HZ LYS 77 2HZ LYS 77 -10.834 -17.800 -17.800 563 2HZ LYS 77 1HZ LYS 77 -10.371 -18.962 -18.962 564 3HZ LYS 77 3HZ LYS 77 -9.479 -18.688 -18.688 565 H ALA 78 H ALA 78 -11.621 -11.773 -11.773 566 HA ALA 78 HA ALA 78 -11.495 -9.159 -9.159 567 1HB ALA 78 2HB ALA 78 -13.674 -10.087 -10.087 568 2HB ALA 78 1HB ALA 78 -13.008 -9.895 -9.895 569 3HB ALA 78 3HB ALA 78 -13.300 -8.497 -8.497 570 H LYS 79 H LYS 79 -10.942 -10.137 -10.137 571 HA LYS 79 HA LYS 79 -10.261 -7.685 -7.685 572 1HB LYS 79 2HB LYS 79 -8.949 -10.403 -10.403 573 2HB LYS 79 1HB LYS 79 -8.706 -9.017 -9.017 574 1HG LYS 79 2HG LYS 79 -11.215 -8.858 -8.858 575 2HG LYS 79 1HG LYS 79 -11.437 -10.283 -10.283 576 1HD LYS 79 2HD LYS 79 -10.147 -10.062 -10.062 577 2HD LYS 79 1HD LYS 79 -11.592 -10.924 -10.924 578 1HE LYS 79 2HE LYS 79 -10.303 -12.549 -12.549 579 2HE LYS 79 1HE LYS 79 -8.792 -11.723 -11.723 580 1HZ LYS 79 3HZ LYS 79 -10.148 -12.212 -12.212 581 2HZ LYS 79 2HZ LYS 79 -9.988 -13.710 -13.710 582 3HZ LYS 79 1HZ LYS 79 -8.667 -12.704 -12.704 583 H LEU 80 H LEU 80 -8.085 -9.939 -9.939 584 HA LEU 80 HA LEU 80 -5.775 -8.242 -8.242 585 1HB LEU 80 2HB LEU 80 -6.610 -10.623 -10.623 586 2HB LEU 80 1HB LEU 80 -5.159 -9.719 -9.719 587 HG LEU 80 HG LEU 80 -4.094 -10.198 -10.198 588 1HD1 LEU 80 3HD1 LEU 80 -6.040 -10.051 -10.051 589 2HD1 LEU 80 2HD1 LEU 80 -6.602 -11.607 -11.607 590 3HD1 LEU 80 1HD1 LEU 80 -5.076 -11.480 -11.480 591 1HD2 LEU 80 3HD2 LEU 80 -5.496 -12.707 -12.707 592 2HD2 LEU 80 2HD2 LEU 80 -4.005 -12.015 -12.015 593 3HD2 LEU 80 1HD2 LEU 80 -4.026 -12.671 -12.671 594 H VAL 81 H VAL 81 -8.185 -8.683 -8.683 595 HA VAL 81 HA VAL 81 -7.117 -6.981 -6.981 596 HB VAL 81 HB VAL 81 -10.068 -7.618 -7.618 597 1HG1 VAL 81 2HG1 VAL 81 -8.907 -6.327 -6.327 598 2HG1 VAL 81 1HG1 VAL 81 -10.575 -6.843 -6.843 599 3HG1 VAL 81 3HG1 VAL 81 -9.962 -5.529 -5.529 600 1HG2 VAL 81 2HG2 VAL 81 -8.232 -8.751 -8.751 601 2HG2 VAL 81 1HG2 VAL 81 -8.800 -9.593 -9.593 602 3HG2 VAL 81 3HG2 VAL 81 -9.930 -9.139 -9.139 603 H GLU 82 H GLU 82 -9.542 -6.330 -6.330 604 HA GLU 82 HA GLU 82 -9.997 -3.638 -3.638 605 1HB GLU 82 2HB GLU 82 -10.063 -5.192 -5.192 606 2HB GLU 82 1HB GLU 82 -10.865 -3.652 -3.652 607 1HG GLU 82 2HG GLU 82 -12.536 -4.715 -4.715 608 2HG GLU 82 1HG GLU 82 -11.697 -6.246 -6.246 609 H LEU 83 H LEU 83 -7.856 -5.168 -5.168 610 HA LEU 83 HA LEU 83 -6.561 -2.882 -2.882 611 1HB LEU 83 2HB LEU 83 -6.059 -5.053 -5.053 612 2HB LEU 83 1HB LEU 83 -5.661 -5.762 -5.762 613 HG LEU 83 HG LEU 83 -3.633 -4.048 -4.048 614 1HD1 LEU 83 2HD1 LEU 83 -4.452 -2.680 -2.680 615 2HD1 LEU 83 1HD1 LEU 83 -4.312 -4.094 -4.094 616 3HD1 LEU 83 3HD1 LEU 83 -2.875 -3.400 -3.400 617 1HD2 LEU 83 3HD2 LEU 83 -3.416 -6.466 -6.466 618 2HD2 LEU 83 2HD2 LEU 83 -2.278 -5.660 -5.660 619 3HD2 LEU 83 1HD2 LEU 83 -3.718 -6.404 -6.404 620 H TYR 84 H TYR 84 -5.193 -5.010 -5.010 621 HA TYR 84 HA TYR 84 -3.185 -3.843 -3.843 622 1HB TYR 84 2HB TYR 84 -4.283 -5.928 -5.928 623 2HB TYR 84 1HB TYR 84 -5.549 -5.142 -5.142 624 HD1 TYR 84 HD1 TYR 84 -4.915 -3.821 -3.821 625 HD2 TYR 84 HD2 TYR 84 -2.284 -6.272 -6.272 626 HE1 TYR 84 HE1 TYR 84 -3.500 -3.860 -3.860 627 HE2 TYR 84 HE2 TYR 84 -0.790 -6.391 -6.391 628 HH TYR 84 HH TYR 84 -1.688 -4.997 -4.997 629 H ARG 85 H ARG 85 -6.226 -3.312 -3.312 630 HA ARG 85 HA ARG 85 -5.515 -1.070 -1.070 631 1HB ARG 85 2HB ARG 85 -8.196 -1.515 -1.515 632 2HB ARG 85 1HB ARG 85 -7.926 -0.072 -0.072 633 1HG ARG 85 2HG ARG 85 -7.185 -2.189 -2.189 634 2HG ARG 85 1HG ARG 85 -8.539 -2.808 -2.808 635 1HD ARG 85 2HD ARG 85 -9.516 -1.648 -1.648 636 2HD ARG 85 1HD ARG 85 -9.800 -0.627 -0.627 637 HE ARG 85 HE ARG 85 -7.424 -0.226 -0.226 638 1HH1 ARG 85 2HH1 ARG 85 -10.271 1.138 1.138 639 2HH1 ARG 85 1HH1 ARG 85 -9.916 2.732 2.732 640 1HH2 ARG 85 1HH2 ARG 85 -6.956 1.881 1.881 641 2HH2 ARG 85 2HH2 ARG 85 -7.958 3.148 3.148 642 H MET 86 H MET 86 -7.079 -0.909 -0.909 643 HA MET 86 HA MET 86 -6.974 1.784 1.784 644 1HB MET 86 2HB MET 86 -6.985 -0.720 -0.720 645 2HB MET 86 1HB MET 86 -6.810 0.799 0.799 646 1HG MET 86 2HG MET 86 -8.940 1.549 1.549 647 2HG MET 86 1HG MET 86 -8.970 0.043 0.043 648 1HE MET 86 1HE MET 86 -10.445 -1.626 -1.626 649 2HE MET 86 3HE MET 86 -11.559 -1.672 -1.672 650 3HE MET 86 2HE MET 86 -11.567 -0.282 -0.282 651 H VAL 87 H VAL 87 -4.440 -0.542 -0.542 652 HA VAL 87 HA VAL 87 -2.695 1.376 1.376 653 HB VAL 87 HB VAL 87 -3.045 -0.984 -0.984 654 1HG1 VAL 87 1HG1 VAL 87 -2.086 -1.913 -1.913 655 2HG1 VAL 87 3HG1 VAL 87 -1.776 -2.862 -2.862 656 3HG1 VAL 87 2HG1 VAL 87 -3.363 -2.371 -2.371 657 1HG2 VAL 87 2HG2 VAL 87 -0.264 -0.167 -0.167 658 2HG2 VAL 87 1HG2 VAL 87 -1.148 0.133 0.133 659 3HG2 VAL 87 3HG2 VAL 87 -0.630 -1.506 -1.506 660 H ALA 88 H ALA 88 -3.442 0.135 0.135 661 HA ALA 88 HA ALA 88 -0.762 0.559 0.559 662 1HB ALA 88 2HB ALA 88 -2.483 -1.043 -1.043 663 2HB ALA 88 1HB ALA 88 -3.460 0.317 0.317 664 3HB ALA 88 3HB ALA 88 -1.850 0.134 0.134 665 H TYR 89 H TYR 89 -3.926 2.122 2.122 666 HA TYR 89 HA TYR 89 -2.842 4.527 4.527 667 1HB TYR 89 2HB TYR 89 -5.074 5.321 5.321 668 2HB TYR 89 1HB TYR 89 -5.468 3.662 3.662 669 HD1 TYR 89 HD2 TYR 89 -5.768 3.048 3.048 670 HD2 TYR 89 HD1 TYR 89 -5.466 7.137 7.137 671 HE1 TYR 89 HE2 TYR 89 -6.663 3.759 3.759 672 HE2 TYR 89 HE1 TYR 89 -6.376 7.798 7.798 673 HH TYR 89 HH TYR 89 -6.295 6.634 6.634 674 H LEU 90 H LEU 90 -3.493 3.597 3.597 675 HA LEU 90 HA LEU 90 -2.733 6.130 6.130 676 1HB LEU 90 2HB LEU 90 -3.925 4.443 4.443 677 2HB LEU 90 1HB LEU 90 -2.571 3.343 3.343 678 HG LEU 90 HG LEU 90 -1.691 5.944 5.944 679 1HD1 LEU 90 3HD1 LEU 90 -3.916 4.741 4.741 680 2HD1 LEU 90 2HD1 LEU 90 -2.821 6.036 6.036 681 3HD1 LEU 90 1HD1 LEU 90 -3.937 6.287 6.287 682 1HD2 LEU 90 1HD2 LEU 90 -1.779 3.163 3.163 683 2HD2 LEU 90 3HD2 LEU 90 -0.474 3.773 3.773 684 3HD2 LEU 90 2HD2 LEU 90 -0.786 4.496 4.496 685 H SER 91 H SER 91 -0.815 3.100 3.100 686 HA SER 91 HA SER 91 1.684 3.970 3.970 687 1HB SER 91 2HB SER 91 1.147 2.467 2.467 688 2HB SER 91 1HB SER 91 2.781 2.756 2.756 689 HG SER 91 HG SER 91 0.831 1.098 1.098 690 H ALA 92 H ALA 92 0.350 4.699 4.699 691 HA ALA 92 HA ALA 92 2.433 6.392 6.392 692 1HB ALA 92 2HB ALA 92 -0.593 6.605 6.605 693 2HB ALA 92 1HB ALA 92 0.688 7.337 7.337 694 3HB ALA 92 3HB ALA 92 0.527 5.585 5.585 695 H SER 93 H SER 93 -0.662 7.238 7.238 696 HA SER 93 HA SER 93 -0.520 9.941 9.941 697 1HB SER 93 2HB SER 93 -1.401 7.991 7.991 698 2HB SER 93 1HB SER 93 -1.892 9.664 9.664 699 HG SER 93 HG SER 93 -2.357 7.538 7.538 700 H LEU 94 H LEU 94 0.644 7.678 7.678 701 HA LEU 94 HA LEU 94 2.011 9.458 9.458 702 1HB LEU 94 2HB LEU 94 2.670 6.558 6.558 703 2HB LEU 94 1HB LEU 94 3.653 7.472 7.472 704 HG LEU 94 HG LEU 94 1.672 7.803 7.803 705 1HD1 LEU 94 1HD1 LEU 94 0.360 5.943 5.943 706 2HD1 LEU 94 3HD1 LEU 94 -0.317 6.475 6.475 707 3HD1 LEU 94 2HD1 LEU 94 -0.076 7.636 7.636 708 1HD2 LEU 94 2HD2 LEU 94 2.371 4.912 4.912 709 2HD2 LEU 94 1HD2 LEU 94 3.254 5.906 5.906 710 3HD2 LEU 94 3HD2 LEU 94 1.623 5.401 5.401 711 H THR 95 H THR 95 3.260 7.583 7.583 712 HA THR 95 HA THR 95 5.916 8.447 8.447 713 HB THR 95 HB THR 95 4.257 7.885 7.885 714 HG1 THR 95 HG1 THR 95 4.381 6.111 6.111 715 1HG2 THR 95 2HG2 THR 95 6.558 9.184 9.184 716 2HG2 THR 95 1HG2 THR 95 7.281 7.861 7.861 717 3HG2 THR 95 3HG2 THR 95 6.585 7.581 7.581 718 H ASN 96 H ASN 96 3.272 10.161 10.161 719 HA ASN 96 HA ASN 96 4.723 12.374 12.374 720 1HB ASN 96 2HB ASN 96 1.924 12.379 12.379 721 2HB ASN 96 1HB ASN 96 2.624 13.731 13.731 722 1HD2 ASN 96 2HD2 ASN 96 1.199 12.508 12.508 723 2HD2 ASN 96 1HD2 ASN 96 1.397 13.813 13.813 724 H ILE 97 H ILE 97 2.999 12.119 12.119 725 HA ILE 97 HA ILE 97 3.823 14.464 14.464 726 HB ILE 97 HB ILE 97 2.988 11.718 11.718 727 1HG1 ILE 97 2HG1 ILE 97 1.148 13.239 13.239 728 2HG1 ILE 97 1HG1 ILE 97 1.870 14.542 14.542 729 1HG2 ILE 97 3HG2 ILE 97 4.643 12.529 12.529 730 2HG2 ILE 97 2HG2 ILE 97 3.747 14.016 14.016 731 3HG2 ILE 97 1HG2 ILE 97 3.019 12.499 12.499 732 1HD1 ILE 97 2HD1 ILE 97 0.834 11.978 11.978 733 2HD1 ILE 97 1HD1 ILE 97 -0.003 13.487 13.487 734 3HD1 ILE 97 3HD1 ILE 97 1.506 13.335 13.335 735 H THR 98 H THR 98 5.358 11.330 11.330 736 HA THR 98 HA THR 98 7.447 11.721 11.721 737 HB THR 98 HB THR 98 7.720 10.333 10.333 738 HG1 THR 98 HG1 THR 98 5.964 9.522 9.522 739 1HG2 THR 98 3HG2 THR 98 9.816 10.560 10.560 740 2HG2 THR 98 2HG2 THR 98 8.960 9.722 9.722 741 3HG2 THR 98 1HG2 THR 98 9.258 8.911 8.911 742 H ARG 99 H ARG 99 7.457 12.449 12.449 743 HA ARG 99 HA ARG 99 9.918 13.943 13.943 744 1HB ARG 99 2HB ARG 99 8.756 13.095 13.095 745 2HB ARG 99 1HB ARG 99 7.548 14.350 14.350 746 1HG ARG 99 2HG ARG 99 9.418 16.081 16.081 747 2HG ARG 99 1HG ARG 99 10.548 14.788 14.788 748 1HD ARG 99 2HD ARG 99 9.274 14.293 14.293 749 2HD ARG 99 1HD ARG 99 8.149 15.562 15.562 750 HE ARG 99 HE ARG 99 9.921 17.218 17.218 751 1HH1 ARG 99 2HH1 ARG 99 10.702 14.165 14.165 752 2HH1 ARG 99 1HH1 ARG 99 11.992 14.758 14.758 753 1HH2 ARG 99 1HH2 ARG 99 11.556 18.060 18.060 754 2HH2 ARG 99 2HH2 ARG 99 12.472 17.067 17.067 755 H ASP 100 H ASP 100 6.589 15.301 15.301 756 HA ASP 100 HA ASP 100 7.007 17.960 17.960 757 1HB ASP 100 2HB ASP 100 4.874 16.305 16.305 758 2HB ASP 100 1HB ASP 100 4.866 18.049 18.049 759 H GLN 101 H GLN 101 6.794 15.805 15.805 760 HA GLN 101 HA GLN 101 7.411 17.785 17.785 761 1HB GLN 101 2HB GLN 101 6.522 14.961 14.961 762 2HB GLN 101 1HB GLN 101 7.644 15.215 15.215 763 1HG GLN 101 2HG GLN 101 5.309 15.595 15.595 764 2HG GLN 101 1HG GLN 101 6.161 17.130 17.130 765 1HE2 GLN 101 2HE2 GLN 101 3.911 18.557 18.557 766 2HE2 GLN 101 1HE2 GLN 101 5.263 18.853 18.853 767 H LYS 102 H LYS 102 9.137 15.156 15.156 768 HA LYS 102 HA LYS 102 11.517 15.274 15.274 769 1HB LYS 102 2HB LYS 102 11.075 13.539 13.539 770 2HB LYS 102 1HB LYS 102 11.134 14.790 14.790 771 1HG LYS 102 2HG LYS 102 13.496 14.062 14.062 772 2HG LYS 102 1HG LYS 102 13.108 13.136 13.136 773 1HD LYS 102 2HD LYS 102 13.129 15.555 15.555 774 2HD LYS 102 1HD LYS 102 14.087 16.030 16.030 775 1HE LYS 102 2HE LYS 102 14.747 13.854 13.854 776 2HE LYS 102 1HE LYS 102 15.621 15.350 15.350 777 1HZ LYS 102 2HZ LYS 102 15.373 14.005 14.005 778 2HZ LYS 102 1HZ LYS 102 15.901 12.865 12.865 779 3HZ LYS 102 3HZ LYS 102 16.800 14.291 14.291 780 H VAL 103 H VAL 103 10.115 17.338 17.338 781 HA VAL 103 HA VAL 103 12.502 19.136 19.136 782 HB VAL 103 HB VAL 103 10.029 19.113 19.113 783 1HG1 VAL 103 2HG1 VAL 103 12.561 20.806 20.806 784 2HG1 VAL 103 1HG1 VAL 103 11.275 20.752 20.752 785 3HG1 VAL 103 3HG1 VAL 103 10.961 21.399 21.399 786 1HG2 VAL 103 3HG2 VAL 103 12.892 18.234 18.234 787 2HG2 VAL 103 2HG2 VAL 103 11.496 17.181 17.181 788 3HG2 VAL 103 1HG2 VAL 103 11.579 18.277 18.277 789 H LEU 104 H LEU 104 9.180 18.954 18.954 790 HA LEU 104 HA LEU 104 8.911 21.793 21.793 791 1HB LEU 104 2HB LEU 104 6.948 20.027 20.027 792 2HB LEU 104 1HB LEU 104 7.279 19.720 19.720 793 HG LEU 104 HG LEU 104 6.989 22.295 22.295 794 1HD1 LEU 104 2HD1 LEU 104 7.156 22.894 22.894 795 2HD1 LEU 104 1HD1 LEU 104 5.695 21.974 21.974 796 3HD1 LEU 104 3HD1 LEU 104 5.625 23.416 23.416 797 1HD2 LEU 104 3HD2 LEU 104 5.243 20.661 20.661 798 2HD2 LEU 104 2HD2 LEU 104 4.520 22.129 22.129 799 3HD2 LEU 104 1HD2 LEU 104 4.530 20.696 20.696 800 H ASN 105 H ASN 105 9.804 19.157 19.157 801 HA ASN 105 HA ASN 105 10.721 21.439 21.439 802 1HB ASN 105 2HB ASN 105 8.310 20.565 20.565 803 2HB ASN 105 1HB ASN 105 9.181 19.321 19.321 804 1HD2 ASN 105 2HD2 ASN 105 9.953 21.570 21.570 805 2HD2 ASN 105 1HD2 ASN 105 9.806 19.945 19.945 806 HA PRO 106 HA PRO 106 14.409 19.205 19.205 807 1HB PRO 106 2HB PRO 106 14.966 20.430 20.430 808 2HB PRO 106 1HB PRO 106 15.354 21.136 21.136 809 1HG PRO 106 2HG PRO 106 12.824 21.594 21.594 810 2HG PRO 106 1HG PRO 106 13.881 22.810 22.810 811 1HD PRO 106 2HD PRO 106 11.697 22.183 22.183 812 2HD PRO 106 1HD PRO 106 13.146 22.178 22.178 813 H SER 107 H SER 107 11.660 19.177 19.177 814 HA SER 107 HA SER 107 12.462 16.850 16.850 815 1HB SER 107 2HB SER 107 9.674 17.949 17.949 816 2HB SER 107 1HB SER 107 10.893 17.631 17.631 817 HG SER 107 HG SER 107 11.616 19.634 19.634 818 H ALA 108 H ALA 108 10.285 18.004 18.004 819 HA ALA 108 HA ALA 108 8.550 15.824 15.824 820 1HB ALA 108 2HB ALA 108 9.691 17.646 17.646 821 2HB ALA 108 1HB ALA 108 8.340 16.568 16.568 822 3HB ALA 108 3HB ALA 108 8.186 17.924 17.924 823 H VAL 109 H VAL 109 11.717 16.551 16.551 824 HA VAL 109 HA VAL 109 12.169 14.476 14.476 825 HB VAL 109 HB VAL 109 14.582 14.511 14.511 826 1HG1 VAL 109 3HG1 VAL 109 13.360 17.320 17.320 827 2HG1 VAL 109 2HG1 VAL 109 15.053 16.965 16.965 828 3HG1 VAL 109 1HG1 VAL 109 13.854 16.457 16.457 829 1HG2 VAL 109 3HG2 VAL 109 13.537 16.044 16.044 830 2HG2 VAL 109 2HG2 VAL 109 14.288 14.466 14.466 831 3HG2 VAL 109 1HG2 VAL 109 15.240 15.868 15.868 832 H SER 110 H SER 110 12.009 14.292 14.292 833 HA SER 110 HA SER 110 12.717 11.449 11.449 834 1HB SER 110 2HB SER 110 13.047 13.168 13.168 835 2HB SER 110 1HB SER 110 11.332 12.904 12.904 836 HG SER 110 HG SER 110 11.870 10.956 10.956 837 H LEU 111 H LEU 111 9.610 13.247 13.247 838 HA LEU 111 HA LEU 111 8.009 10.914 10.914 839 1HB LEU 111 2HB LEU 111 6.067 12.141 12.141 840 2HB LEU 111 1HB LEU 111 7.120 13.294 13.294 841 HG LEU 111 HG LEU 111 7.888 13.771 13.771 842 1HD1 LEU 111 3HD1 LEU 111 5.128 12.676 12.676 843 2HD1 LEU 111 2HD1 LEU 111 6.010 13.553 13.553 844 3HD1 LEU 111 1HD1 LEU 111 6.547 11.982 11.982 845 1HD2 LEU 111 2HD2 LEU 111 6.720 15.357 15.357 846 2HD2 LEU 111 1HD2 LEU 111 6.557 15.650 15.650 847 3HD2 LEU 111 3HD2 LEU 111 5.248 14.958 14.958 848 H HIS 112 H HIS 112 9.125 12.305 12.305 849 HA HIS 112 HA HIS 112 7.865 10.463 10.463 850 1HB HIS 112 2HB HIS 112 9.041 11.594 11.594 851 2HB HIS 112 1HB HIS 112 9.536 12.645 12.645 852 HD1 HIS 112 HD1 HIS 112 11.231 9.284 9.284 853 HD2 HIS 112 HD2 HIS 112 11.867 13.309 13.309 854 HE1 HIS 112 HE1 HIS 112 13.596 9.590 9.590 855 H SER 113 H SER 113 11.053 10.283 10.283 856 HA SER 113 HA SER 113 12.012 7.868 7.868 857 1HB SER 113 2HB SER 113 13.123 9.272 9.272 858 2HB SER 113 1HB SER 113 11.990 8.567 8.567 859 HG SER 113 HG SER 113 12.892 6.524 6.524 860 H LYS 114 H LYS 114 9.608 8.273 8.273 861 HA LYS 114 HA LYS 114 9.075 5.483 5.483 862 1HB LYS 114 2HB LYS 114 7.700 8.037 8.037 863 2HB LYS 114 1HB LYS 114 6.551 6.755 6.755 864 1HG LYS 114 2HG LYS 114 8.980 6.359 6.359 865 2HG LYS 114 1HG LYS 114 7.536 7.137 7.137 866 1HD LYS 114 2HD LYS 114 7.483 4.806 4.806 867 2HD LYS 114 1HD LYS 114 6.175 5.152 5.152 868 1HE LYS 114 2HE LYS 114 7.388 4.038 4.038 869 2HE LYS 114 1HE LYS 114 8.796 3.789 3.789 870 1HZ LYS 114 1HZ LYS 114 6.505 2.773 2.773 871 2HZ LYS 114 3HZ LYS 114 6.535 2.151 2.151 872 3HZ LYS 114 2HZ LYS 114 7.862 1.918 1.918 873 H LEU 115 H LEU 115 7.439 7.834 7.834 874 HA LEU 115 HA LEU 115 5.531 6.208 6.208 875 1HB LEU 115 2HB LEU 115 7.237 8.380 8.380 876 2HB LEU 115 1HB LEU 115 5.795 7.684 7.684 877 HG LEU 115 HG LEU 115 5.844 9.223 9.223 878 1HD1 LEU 115 3HD1 LEU 115 6.304 10.698 10.698 879 2HD1 LEU 115 2HD1 LEU 115 4.859 10.062 10.062 880 3HD1 LEU 115 1HD1 LEU 115 4.745 11.009 11.009 881 1HD2 LEU 115 3HD2 LEU 115 3.586 8.275 8.275 882 2HD2 LEU 115 2HD2 LEU 115 3.952 7.564 7.564 883 3HD2 LEU 115 1HD2 LEU 115 3.363 9.214 9.214 884 H ASN 116 H ASN 116 8.909 6.743 6.743 885 HA ASN 116 HA ASN 116 9.112 5.131 5.131 886 1HB ASN 116 2HB ASN 116 11.106 5.071 5.071 887 2HB ASN 116 1HB ASN 116 11.393 4.390 4.390 888 1HD2 ASN 116 2HD2 ASN 116 12.344 7.473 7.473 889 2HD2 ASN 116 1HD2 ASN 116 12.234 5.781 5.781 890 H ALA 117 H ALA 117 9.409 4.058 4.058 891 HA ALA 117 HA ALA 117 9.636 1.322 1.322 892 1HB ALA 117 1HB ALA 117 8.213 2.390 2.390 893 2HB ALA 117 3HB ALA 117 8.726 0.722 0.722 894 3HB ALA 117 2HB ALA 117 9.933 1.994 1.994 895 H THR 118 H THR 118 6.647 3.057 3.057 896 HA THR 118 HA THR 118 4.926 0.861 0.861 897 HB THR 118 HB THR 118 3.245 2.948 2.948 898 HG1 THR 118 HG1 THR 118 5.344 4.105 4.105 899 1HG2 THR 118 3HG2 THR 118 4.526 2.544 2.544 900 2HG2 THR 118 2HG2 THR 118 3.008 3.358 3.358 901 3HG2 THR 118 1HG2 THR 118 3.138 1.634 1.634 902 H ILE 119 H ILE 119 6.207 3.152 3.152 903 HA ILE 119 HA ILE 119 4.514 2.276 2.276 904 HB ILE 119 HB ILE 119 7.213 3.715 3.715 905 1HG1 ILE 119 2HG1 ILE 119 4.432 4.979 4.979 906 2HG1 ILE 119 1HG1 ILE 119 5.201 4.843 4.843 907 1HG2 ILE 119 3HG2 ILE 119 4.961 3.509 3.509 908 2HG2 ILE 119 2HG2 ILE 119 6.402 4.503 4.503 909 3HG2 ILE 119 1HG2 ILE 119 6.532 2.755 2.755 910 1HD1 ILE 119 2HD1 ILE 119 6.346 6.322 6.322 911 2HD1 ILE 119 1HD1 ILE 119 5.661 7.074 7.074 912 3HD1 ILE 119 3HD1 ILE 119 7.162 6.179 6.179 913 H ASP 120 H ASP 120 7.988 1.747 1.747 914 HA ASP 120 HA ASP 120 8.340 -0.186 -0.186 915 1HB ASP 120 2HB ASP 120 10.246 0.879 0.879 916 2HB ASP 120 1HB ASP 120 9.839 -0.184 -0.184 917 H VAL 121 H VAL 121 7.415 -0.595 -0.595 918 HA VAL 121 HA VAL 121 7.321 -3.485 -3.485 919 HB VAL 121 HB VAL 121 7.610 -1.691 -1.691 920 1HG1 VAL 121 2HG1 VAL 121 5.374 -0.730 -0.730 921 2HG1 VAL 121 1HG1 VAL 121 4.629 -2.224 -2.224 922 3HG1 VAL 121 3HG1 VAL 121 5.644 -1.310 -1.310 923 1HG2 VAL 121 2HG2 VAL 121 6.212 -4.236 -4.236 924 2HG2 VAL 121 1HG2 VAL 121 7.961 -3.952 -3.952 925 3HG2 VAL 121 3HG2 VAL 121 7.022 -3.209 -3.209 926 H MET 122 H MET 122 4.812 -0.900 -0.900 927 HA MET 122 HA MET 122 2.633 -2.795 -2.795 928 1HB MET 122 2HB MET 122 2.941 0.081 0.081 929 2HB MET 122 1HB MET 122 1.512 -0.845 -0.845 930 1HG MET 122 2HG MET 122 1.207 -1.385 -1.385 931 2HG MET 122 1HG MET 122 2.642 -0.521 -0.521 932 1HE MET 122 2HE MET 122 2.632 2.040 2.040 933 2HE MET 122 1HE MET 122 1.178 2.089 2.089 934 3HE MET 122 3HE MET 122 1.339 3.133 3.133 935 H ARG 123 H ARG 123 4.639 -1.182 -1.182 936 HA ARG 123 HA ARG 123 3.264 -2.388 -2.388 937 1HB ARG 123 2HB ARG 123 5.330 -2.029 -2.029 938 2HB ARG 123 1HB ARG 123 5.059 -0.639 -0.639 939 1HG ARG 123 2HG ARG 123 7.352 -0.956 -0.956 940 2HG ARG 123 1HG ARG 123 6.701 -1.546 -1.546 941 1HD ARG 123 2HD ARG 123 6.916 -3.977 -3.977 942 2HD ARG 123 1HD ARG 123 7.670 -3.143 -3.143 943 HE ARG 123 HE ARG 123 8.861 -2.625 -2.625 944 1HH1 ARG 123 2HH1 ARG 123 9.001 -4.491 -4.491 945 2HH1 ARG 123 1HH1 ARG 123 10.674 -4.885 -4.885 946 1HH2 ARG 123 1HH2 ARG 123 10.947 -3.045 -3.045 947 2HH2 ARG 123 2HH2 ARG 123 11.792 -4.113 -4.113 948 H GLY 124 H GLY 124 5.555 -3.495 -3.495 949 1HA GLY 124 2HA GLY 124 6.197 -6.079 -6.079 950 2HA GLY 124 1HA GLY 124 6.232 -5.650 -5.650 951 H LEU 125 H LEU 125 3.720 -4.946 -4.946 952 HA LEU 125 HA LEU 125 2.289 -7.366 -7.366 953 1HB LEU 125 2HB LEU 125 1.356 -4.455 -4.455 954 2HB LEU 125 1HB LEU 125 0.201 -5.749 -5.749 955 HG LEU 125 HG LEU 125 1.309 -6.620 -6.620 956 1HD1 LEU 125 2HD1 LEU 125 3.645 -5.769 -5.769 957 2HD1 LEU 125 1HD1 LEU 125 3.061 -4.141 -4.141 958 3HD1 LEU 125 3HD1 LEU 125 2.972 -5.311 -5.311 959 1HD2 LEU 125 1HD2 LEU 125 -0.572 -5.117 -5.117 960 2HD2 LEU 125 3HD2 LEU 125 0.527 -4.835 -4.835 961 3HD2 LEU 125 2HD2 LEU 125 0.489 -3.716 -3.716 962 H LEU 126 H LEU 126 1.527 -4.740 -4.740 963 HA LEU 126 HA LEU 126 -0.425 -6.077 -6.077 964 1HB LEU 126 2HB LEU 126 1.745 -4.171 -4.171 965 2HB LEU 126 1HB LEU 126 0.550 -4.750 -4.750 966 HG LEU 126 HG LEU 126 -1.132 -4.040 -4.040 967 1HD1 LEU 126 3HD1 LEU 126 1.199 -2.236 -2.236 968 2HD1 LEU 126 2HD1 LEU 126 -0.404 -1.783 -1.783 969 3HD1 LEU 126 1HD1 LEU 126 0.239 -3.198 -3.198 970 1HD2 LEU 126 2HD2 LEU 126 -0.111 -1.986 -1.986 971 2HD2 LEU 126 1HD2 LEU 126 -1.432 -3.145 -3.145 972 3HD2 LEU 126 3HD2 LEU 126 -1.533 -1.971 -1.971 973 H SER 127 H SER 127 3.055 -6.387 -6.387 974 HA SER 127 HA SER 127 3.025 -8.153 -8.153 975 1HB SER 127 2HB SER 127 5.207 -7.295 -7.295 976 2HB SER 127 1HB SER 127 4.952 -8.517 -8.517 977 HG SER 127 HG SER 127 5.502 -10.034 -10.034 978 H ASN 128 H ASN 128 3.195 -8.907 -8.907 979 HA ASN 128 HA ASN 128 2.628 -11.646 -11.646 980 1HB ASN 128 2HB ASN 128 1.706 -9.564 -9.564 981 2HB ASN 128 1HB ASN 128 1.595 -11.280 -11.280 982 1HD2 ASN 128 2HD2 ASN 128 5.129 -9.570 -9.570 983 2HD2 ASN 128 1HD2 ASN 128 3.825 -8.585 -8.585 984 H VAL 129 H VAL 129 0.164 -8.955 -8.955 985 HA VAL 129 HA VAL 129 -1.966 -10.697 -10.697 986 HB VAL 129 HB VAL 129 -1.529 -7.941 -7.941 987 1HG1 VAL 129 2HG1 VAL 129 -4.164 -9.482 -9.482 988 2HG1 VAL 129 1HG1 VAL 129 -4.115 -7.770 -7.770 989 3HG1 VAL 129 3HG1 VAL 129 -3.375 -8.843 -8.843 990 1HG2 VAL 129 1HG2 VAL 129 -3.123 -9.031 -9.031 991 2HG2 VAL 129 3HG2 VAL 129 -1.575 -8.222 -8.222 992 3HG2 VAL 129 2HG2 VAL 129 -3.011 -7.330 -7.330 993 H LEU 130 H LEU 130 -0.730 -8.854 -8.854 994 HA LEU 130 HA LEU 130 -2.055 -10.475 -10.475 995 1HB LEU 130 2HB LEU 130 -0.123 -8.258 -8.258 996 2HB LEU 130 1HB LEU 130 0.310 -9.447 -9.447 997 HG LEU 130 HG LEU 130 -1.336 -7.639 -7.639 998 1HD1 LEU 130 1HD1 LEU 130 -2.169 -10.565 -10.565 999 2HD1 LEU 130 3HD1 LEU 130 -2.695 -9.302 -9.302 1000 3HD1 LEU 130 2HD1 LEU 130 -1.009 -9.762 -9.762 1001 1HD2 LEU 130 3HD2 LEU 130 -3.353 -9.151 -9.151 1002 2HD2 LEU 130 2HD2 LEU 130 -2.820 -7.524 -7.524 1003 3HD2 LEU 130 1HD2 LEU 130 -3.772 -7.993 -7.993 1004 H CYS 131 H CYS 131 0.540 -11.425 -11.425 1005 HA CYS 131 HA CYS 131 1.475 -13.425 -13.425 1006 1HB CYS 131 2HB CYS 131 2.974 -12.171 -12.171 1007 2HB CYS 131 1HB CYS 131 2.248 -13.269 -13.269 1008 H ARG 132 H ARG 132 -0.587 -12.845 -12.845 1009 HA ARG 132 HA ARG 132 -1.268 -15.653 -15.653 1010 1HB ARG 132 2HB ARG 132 -1.287 -14.015 -14.015 1011 2HB ARG 132 1HB ARG 132 -2.506 -13.078 -13.078 1012 1HG ARG 132 2HG ARG 132 -3.464 -14.495 -14.495 1013 2HG ARG 132 1HG ARG 132 -4.170 -14.871 -14.871 1014 1HD ARG 132 2HD ARG 132 -1.802 -16.471 -16.471 1015 2HD ARG 132 1HD ARG 132 -3.457 -16.797 -16.797 1016 HE ARG 132 HE ARG 132 -2.844 -16.604 -16.604 1017 1HH1 ARG 132 2HH1 ARG 132 -3.639 -18.570 -18.570 1018 2HH1 ARG 132 1HH1 ARG 132 -4.234 -19.868 -19.868 1019 1HH2 ARG 132 1HH2 ARG 132 -3.498 -18.122 -18.122 1020 2HH2 ARG 132 2HH2 ARG 132 -4.091 -19.630 -19.630 1021 H LEU 133 H LEU 133 -3.159 -12.735 -12.735 1022 HA LEU 133 HA LEU 133 -4.608 -14.324 -14.324 1023 1HB LEU 133 2HB LEU 133 -6.733 -13.688 -13.688 1024 2HB LEU 133 1HB LEU 133 -5.847 -14.431 -14.431 1025 HG LEU 133 HG LEU 133 -7.003 -12.657 -12.657 1026 1HD1 LEU 133 2HD1 LEU 133 -4.704 -12.606 -12.606 1027 2HD1 LEU 133 1HD1 LEU 133 -4.300 -11.422 -11.422 1028 3HD1 LEU 133 3HD1 LEU 133 -5.463 -11.024 -11.024 1029 1HD2 LEU 133 1HD2 LEU 133 -6.257 -10.672 -10.672 1030 2HD2 LEU 133 3HD2 LEU 133 -7.842 -11.334 -11.334 1031 3HD2 LEU 133 2HD2 LEU 133 -7.032 -10.318 -10.318 1032 H CYS 134 H CYS 134 -5.324 -13.037 -13.037 1033 HA CYS 134 HA CYS 134 -4.303 -10.276 -10.276 1034 1HB CYS 134 2HB CYS 134 -5.391 -12.087 -12.087 1035 2HB CYS 134 1HB CYS 134 -4.951 -10.410 -10.410 1036 H ASN 135 H ASN 135 -7.007 -11.277 -11.277 1037 HA ASN 135 HA ASN 135 -8.750 -9.139 -9.139 1038 1HB ASN 135 2HB ASN 135 -8.160 -9.286 -9.286 1039 2HB ASN 135 1HB ASN 135 -9.196 -10.660 -10.660 1040 1HD2 ASN 135 2HD2 ASN 135 -10.753 -7.058 -7.058 1041 2HD2 ASN 135 1HD2 ASN 135 -9.105 -7.429 -7.429 1042 H LYS 136 H LYS 136 -9.361 -12.126 -12.126 1043 HA LYS 136 HA LYS 136 -10.983 -13.136 -13.136 1044 1HB LYS 136 2HB LYS 136 -11.281 -14.004 -14.004 1045 2HB LYS 136 1HB LYS 136 -12.386 -14.219 -14.219 1046 1HG LYS 136 2HG LYS 136 -12.783 -11.733 -11.733 1047 2HG LYS 136 1HG LYS 136 -11.651 -11.483 -11.483 1048 1HD LYS 136 2HD LYS 136 -13.171 -12.860 -12.860 1049 2HD LYS 136 1HD LYS 136 -14.357 -12.812 -12.812 1050 1HE LYS 136 2HE LYS 136 -14.285 -10.302 -10.302 1051 2HE LYS 136 1HE LYS 136 -13.058 -10.332 -10.332 1052 1HZ LYS 136 1HZ LYS 136 -15.241 -11.898 -11.898 1053 2HZ LYS 136 3HZ LYS 136 -15.843 -10.410 -10.410 1054 3HZ LYS 136 2HZ LYS 136 -14.642 -10.440 -10.440 1055 H TYR 137 H TYR 137 -8.258 -13.050 -13.050 1056 HA TYR 137 HA TYR 137 -6.318 -14.304 -14.304 1057 1HB TYR 137 2HB TYR 137 -6.952 -16.549 -16.549 1058 2HB TYR 137 1HB TYR 137 -6.270 -15.054 -15.054 1059 HD1 TYR 137 HD2 TYR 137 -8.285 -13.046 -13.046 1060 HD2 TYR 137 HD1 TYR 137 -8.833 -17.272 -17.272 1061 HE1 TYR 137 HE2 TYR 137 -10.268 -12.694 -12.694 1062 HE2 TYR 137 HE1 TYR 137 -10.847 -16.886 -16.886 1063 HH TYR 137 HH TYR 137 -12.565 -14.522 -14.522 1064 H ARG 138 H ARG 138 -8.301 -14.826 -14.826 1065 HA ARG 138 HA ARG 138 -7.122 -17.345 -17.345 1066 1HB ARG 138 2HB ARG 138 -9.468 -17.616 -17.616 1067 2HB ARG 138 1HB ARG 138 -10.137 -16.810 -16.810 1068 1HG ARG 138 2HG ARG 138 -9.331 -18.481 -18.481 1069 2HG ARG 138 1HG ARG 138 -8.339 -19.258 -19.258 1070 1HD ARG 138 2HD ARG 138 -11.346 -19.270 -19.270 1071 2HD ARG 138 1HD ARG 138 -10.263 -20.659 -20.659 1072 HE ARG 138 HE ARG 138 -9.734 -19.520 -19.520 1073 1HH1 ARG 138 2HH1 ARG 138 -12.813 -19.854 -19.854 1074 2HH1 ARG 138 1HH1 ARG 138 -13.732 -19.860 -19.860 1075 1HH2 ARG 138 1HH2 ARG 138 -10.869 -19.469 -19.469 1076 2HH2 ARG 138 2HH2 ARG 138 -12.572 -19.657 -19.657 1077 H VAL 139 H VAL 139 -9.514 -15.030 -15.030 1078 HA VAL 139 HA VAL 139 -9.266 -14.950 -14.950 1079 HB VAL 139 HB VAL 139 -9.256 -12.379 -12.379 1080 1HG1 VAL 139 1HG1 VAL 139 -10.428 -12.934 -12.934 1081 2HG1 VAL 139 3HG1 VAL 139 -10.531 -11.419 -11.419 1082 3HG1 VAL 139 2HG1 VAL 139 -8.978 -12.004 -12.004 1083 1HG2 VAL 139 3HG2 VAL 139 -11.621 -14.105 -14.105 1084 2HG2 VAL 139 2HG2 VAL 139 -11.009 -13.914 -13.914 1085 3HG2 VAL 139 1HG2 VAL 139 -11.694 -12.535 -12.535 1086 H GLY 140 H GLY 140 -7.438 -13.046 -13.046 1087 1HA GLY 140 2HA GLY 140 -4.971 -12.897 -12.897 1088 2HA GLY 140 1HA GLY 140 -5.049 -13.198 -13.198 1089 H HIS 141 H HIS 141 -5.472 -10.825 -10.825 1090 HA HIS 141 HA HIS 141 -4.409 -8.561 -8.561 1091 1HB HIS 141 2HB HIS 141 -6.658 -8.910 -8.910 1092 2HB HIS 141 1HB HIS 141 -6.439 -7.315 -7.315 1093 HD1 HIS 141 HD1 HIS 141 -4.151 -9.884 -9.884 1094 HD2 HIS 141 HD2 HIS 141 -4.598 -5.841 -5.841 1095 HE1 HIS 141 HE1 HIS 141 -2.365 -8.888 -8.888 1096 H VAL 142 H VAL 142 -4.658 -7.890 -7.890 1097 HA VAL 142 HA VAL 142 -7.280 -7.528 -7.528 1098 HB VAL 142 HB VAL 142 -5.340 -8.061 -8.061 1099 1HG1 VAL 142 1HG1 VAL 142 -3.484 -6.935 -6.935 1100 2HG1 VAL 142 3HG1 VAL 142 -4.134 -5.373 -5.373 1101 3HG1 VAL 142 2HG1 VAL 142 -3.441 -6.392 -6.392 1102 1HG2 VAL 142 1HG2 VAL 142 -7.112 -6.675 -6.675 1103 2HG2 VAL 142 3HG2 VAL 142 -5.558 -6.248 -6.248 1104 3HG2 VAL 142 2HG2 VAL 142 -6.294 -5.212 -5.212 1105 H ASP 143 H ASP 143 -4.793 -5.486 -5.486 1106 HA ASP 143 HA ASP 143 -4.668 -3.432 -3.432 1107 1HB ASP 143 2HB ASP 143 -7.690 -3.432 -3.432 1108 2HB ASP 143 1HB ASP 143 -6.702 -2.377 -2.377 1109 H VAL 144 H VAL 144 -4.177 -1.540 -1.540 1110 HA VAL 144 HA VAL 144 -5.597 -0.430 -0.430 1111 HB VAL 144 HB VAL 144 -3.212 0.321 0.321 1112 1HG1 VAL 144 2HG1 VAL 144 -4.062 -2.610 -2.610 1113 2HG1 VAL 144 1HG1 VAL 144 -2.949 -1.856 -1.856 1114 3HG1 VAL 144 3HG1 VAL 144 -4.632 -1.368 -1.368 1115 1HG2 VAL 144 3HG2 VAL 144 -1.964 -0.388 -0.388 1116 2HG2 VAL 144 2HG2 VAL 144 -1.382 -1.218 -1.218 1117 3HG2 VAL 144 1HG2 VAL 144 -2.427 -2.057 -2.057 1118 HA PRO 145 HA PRO 145 -5.278 3.061 3.061 1119 1HB PRO 145 2HB PRO 145 -7.914 3.790 3.790 1120 2HB PRO 145 1HB PRO 145 -7.432 2.854 2.854 1121 1HG PRO 145 2HG PRO 145 -8.420 1.806 1.806 1122 2HG PRO 145 1HG PRO 145 -8.960 1.322 1.322 1123 1HD PRO 145 2HD PRO 145 -7.158 -0.232 -0.232 1124 2HD PRO 145 1HD PRO 145 -6.876 0.156 0.156 1125 HA PRO 146 HA PRO 146 -4.975 5.371 5.371 1126 1HB PRO 146 2HB PRO 146 -3.383 7.348 7.348 1127 2HB PRO 146 1HB PRO 146 -2.769 5.689 5.689 1128 1HG PRO 146 2HG PRO 146 -3.971 7.351 7.351 1129 2HG PRO 146 1HG PRO 146 -2.478 6.414 6.414 1130 1HD PRO 146 2HD PRO 146 -4.995 5.448 5.448 1131 2HD PRO 146 1HD PRO 146 -3.643 4.396 4.396 1132 H VAL 147 H VAL 147 -5.728 7.331 7.331 1133 HA VAL 147 HA VAL 147 -7.568 8.967 8.967 1134 HB VAL 147 HB VAL 147 -9.177 8.860 8.860 1135 1HG1 VAL 147 3HG1 VAL 147 -9.506 7.539 7.539 1136 2HG1 VAL 147 2HG1 VAL 147 -8.524 6.242 6.242 1137 3HG1 VAL 147 1HG1 VAL 147 -10.071 6.639 6.639 1138 1HG2 VAL 147 2HG2 VAL 147 -7.396 6.476 6.476 1139 2HG2 VAL 147 1HG2 VAL 147 -7.553 7.979 7.979 1140 3HG2 VAL 147 3HG2 VAL 147 -8.929 6.921 6.921 1141 HA PRO 148 HA PRO 148 -4.851 11.416 11.416 1142 1HB PRO 148 2HB PRO 148 -3.006 12.286 12.286 1143 2HB PRO 148 1HB PRO 148 -3.116 10.556 10.556 1144 1HG PRO 148 2HG PRO 148 -4.103 12.072 12.072 1145 2HG PRO 148 1HG PRO 148 -3.404 10.456 10.456 1146 1HD PRO 148 2HD PRO 148 -6.249 11.126 11.126 1147 2HD PRO 148 1HD PRO 148 -5.539 9.510 9.510 1148 H ASP 149 H ASP 149 -6.700 13.194 13.194 1149 HA ASP 149 HA ASP 149 -5.972 15.584 15.584 1150 1HB ASP 149 2HB ASP 149 -8.214 14.583 14.583 1151 2HB ASP 149 1HB ASP 149 -8.904 14.930 14.930 1152 H HIS 150 H HIS 150 -6.112 16.906 16.906 1153 HA HIS 150 HA HIS 150 -6.962 16.896 16.896 1154 1HB HIS 150 2HB HIS 150 -4.656 17.528 17.528 1155 2HB HIS 150 1HB HIS 150 -4.609 16.093 16.093 1156 HD1 HIS 150 HD1 HIS 150 -4.453 19.756 19.756 1157 HD2 HIS 150 HD2 HIS 150 -2.468 16.330 16.330 1158 HE1 HIS 150 HE1 HIS 150 -2.622 20.407 20.407 1159 H SER 151 H SER 151 -8.045 18.329 18.329 1160 HA SER 151 HA SER 151 -7.133 21.091 21.091 1161 1HB SER 151 2HB SER 151 -8.725 21.489 21.489 1162 2HB SER 151 1HB SER 151 -7.459 20.278 20.278 1163 HG SER 151 HG SER 151 -8.978 18.796 18.796 1164 H ASP 152 H ASP 152 -8.956 19.453 19.453 1165 HA ASP 152 HA ASP 152 -11.311 21.255 21.255 1166 1HB ASP 152 2HB ASP 152 -11.622 18.913 18.913 1167 2HB ASP 152 1HB ASP 152 -10.436 19.034 19.034 1168 H LYS 153 H LYS 153 -8.458 20.828 20.828 1169 HA LYS 153 HA LYS 153 -9.156 23.497 23.497 1170 1HB LYS 153 2HB LYS 153 -7.488 21.494 21.494 1171 2HB LYS 153 1HB LYS 153 -8.452 22.763 22.763 1172 1HG LYS 153 2HG LYS 153 -9.267 20.015 20.015 1173 2HG LYS 153 1HG LYS 153 -9.414 20.645 20.645 1174 1HD LYS 153 2HD LYS 153 -10.949 21.372 21.372 1175 2HD LYS 153 1HD LYS 153 -11.575 20.405 20.405 1176 1HE LYS 153 2HE LYS 153 -11.776 22.377 22.377 1177 2HE LYS 153 1HE LYS 153 -10.890 23.376 23.376 1178 1HZ LYS 153 3HZ LYS 153 -12.945 22.023 22.023 1179 2HZ LYS 153 2HZ LYS 153 -13.654 22.766 22.766 1180 3HZ LYS 153 1HZ LYS 153 -12.754 23.660 23.660 1181 H GLU 154 H GLU 154 -7.427 24.997 24.997 1182 HA GLU 154 HA GLU 154 -5.272 24.658 24.658 1183 1HB GLU 154 2HB GLU 154 -5.702 26.781 26.781 1184 2HB GLU 154 1HB GLU 154 -4.563 26.927 26.927 1185 1HG GLU 154 2HG GLU 154 -6.388 26.945 26.945 1186 2HG GLU 154 1HG GLU 154 -7.576 26.654 26.654 1187 H VAL 155 H VAL 155 -3.970 26.227 26.227 1188 HA VAL 155 HA VAL 155 -1.524 24.967 24.967 1189 HB VAL 155 HB VAL 155 -1.539 25.823 25.823 1190 1HG1 VAL 155 2HG1 VAL 155 -0.893 27.346 27.346 1191 2HG1 VAL 155 1HG1 VAL 155 -2.575 27.779 27.779 1192 3HG1 VAL 155 3HG1 VAL 155 -1.741 28.221 28.221 1193 1HG2 VAL 155 2HG2 VAL 155 -4.394 26.687 26.687 1194 2HG2 VAL 155 1HG2 VAL 155 -3.949 25.488 25.488 1195 3HG2 VAL 155 3HG2 VAL 155 -3.477 27.150 27.150 1196 H PHE 156 H PHE 156 -4.449 24.239 24.239 1197 HA PHE 156 HA PHE 156 -4.034 22.204 22.204 1198 1HB PHE 156 2HB PHE 156 -6.114 22.438 22.438 1199 2HB PHE 156 1HB PHE 156 -6.315 21.346 21.346 1200 HD1 PHE 156 HD2 PHE 156 -6.524 22.477 22.477 1201 HD2 PHE 156 HD1 PHE 156 -6.925 24.579 24.579 1202 HE1 PHE 156 HE2 PHE 156 -7.772 24.249 24.249 1203 HE2 PHE 156 HE1 PHE 156 -8.169 26.346 26.346 1204 HZ PHE 156 HZ PHE 156 -8.610 26.173 26.173 1205 H GLN 157 H GLN 157 -4.681 21.776 21.776 1206 HA GLN 157 HA GLN 157 -4.030 18.973 18.973 1207 1HB GLN 157 2HB GLN 157 -4.863 20.827 20.827 1208 2HB GLN 157 1HB GLN 157 -3.682 19.740 19.740 1209 1HG GLN 157 2HG GLN 157 -6.007 18.737 18.737 1210 2HG GLN 157 1HG GLN 157 -5.095 17.811 17.811 1211 1HE2 GLN 157 2HE2 GLN 157 -7.324 19.611 19.611 1212 2HE2 GLN 157 1HE2 GLN 157 -5.709 19.960 19.960 1213 H LYS 158 H LYS 158 -2.086 21.785 21.785 1214 HA LYS 158 HA LYS 158 0.137 20.024 20.024 1215 1HB LYS 158 2HB LYS 158 0.098 22.980 22.980 1216 2HB LYS 158 1HB LYS 158 1.507 22.136 22.136 1217 1HG LYS 158 2HG LYS 158 0.292 21.609 21.609 1218 2HG LYS 158 1HG LYS 158 -1.123 22.477 22.477 1219 1HD LYS 158 2HD LYS 158 0.239 24.586 24.586 1220 2HD LYS 158 1HD LYS 158 1.671 23.697 23.697 1221 1HE LYS 158 2HE LYS 158 0.853 24.945 24.945 1222 2HE LYS 158 1HE LYS 158 0.762 23.225 23.225 1223 1HZ LYS 158 2HZ LYS 158 -1.726 24.029 24.029 1224 2HZ LYS 158 1HZ LYS 158 -1.300 25.103 25.103 1225 3HZ LYS 158 3HZ LYS 158 -1.378 23.452 23.452 1226 H LYS 159 H LYS 159 -1.316 20.028 20.028 1227 HA LYS 159 HA LYS 159 1.112 19.640 19.640 1228 1HB LYS 159 2HB LYS 159 -1.345 21.315 21.315 1229 2HB LYS 159 1HB LYS 159 -0.838 20.341 20.341 1230 1HG LYS 159 2HG LYS 159 0.281 22.306 22.306 1231 2HG LYS 159 1HG LYS 159 1.537 21.464 21.464 1232 1HD LYS 159 2HD LYS 159 1.165 22.750 22.750 1233 2HD LYS 159 1HD LYS 159 -0.309 23.469 23.469 1234 1HE LYS 159 2HE LYS 159 1.029 24.521 24.521 1235 2HE LYS 159 1HE LYS 159 2.498 23.854 23.854 1236 1HZ LYS 159 1HZ LYS 159 1.172 25.244 25.244 1237 2HZ LYS 159 3HZ LYS 159 1.205 26.248 26.248 1238 3HZ LYS 159 2HZ LYS 159 2.653 25.609 25.609 1239 H LYS 160 H LYS 160 -2.213 19.205 19.205 1240 HA LYS 160 HA LYS 160 -2.331 16.634 16.634 1241 1HB LYS 160 2HB LYS 160 -4.650 17.182 17.182 1242 2HB LYS 160 1HB LYS 160 -4.030 18.779 18.779 1243 1HG LYS 160 2HG LYS 160 -5.845 18.862 18.862 1244 2HG LYS 160 1HG LYS 160 -4.688 18.184 18.184 1245 1HD LYS 160 2HD LYS 160 -5.849 16.017 16.017 1246 2HD LYS 160 1HD LYS 160 -7.178 17.024 17.024 1247 1HE LYS 160 2HE LYS 160 -5.355 16.621 16.621 1248 2HE LYS 160 1HE LYS 160 -5.804 15.082 15.082 1249 1HZ LYS 160 1HZ LYS 160 -8.146 16.632 16.632 1250 2HZ LYS 160 3HZ LYS 160 -7.388 16.721 16.721 1251 3HZ LYS 160 2HZ LYS 160 -7.823 15.237 15.237 1252 H LEU 161 H LEU 161 -1.626 17.376 17.376 1253 HA LEU 161 HA LEU 161 -3.049 15.931 15.931 1254 1HB LEU 161 2HB LEU 161 -0.618 16.974 16.974 1255 2HB LEU 161 1HB LEU 161 -0.026 15.503 15.503 1256 HG LEU 161 HG LEU 161 -0.872 14.223 14.223 1257 1HD1 LEU 161 3HD1 LEU 161 -2.139 16.833 16.833 1258 2HD1 LEU 161 2HD1 LEU 161 -2.079 15.315 15.315 1259 3HD1 LEU 161 1HD1 LEU 161 -3.040 15.427 15.427 1260 1HD2 LEU 161 1HD2 LEU 161 0.393 16.875 16.875 1261 2HD2 LEU 161 3HD2 LEU 161 1.275 15.479 15.479 1262 3HD2 LEU 161 2HD2 LEU 161 0.374 15.392 15.392 1263 H GLY 162 H GLY 162 -0.984 14.636 14.636 1264 1HA GLY 162 2HA GLY 162 -2.160 11.942 11.942 1265 2HA GLY 162 1HA GLY 162 -0.540 12.170 12.170 1266 H CYS 163 H CYS 163 -2.807 14.308 14.308 1267 HA CYS 163 HA CYS 163 -2.691 12.929 12.929 1268 1HB CYS 163 2HB CYS 163 -2.097 15.426 15.426 1269 2HB CYS 163 1HB CYS 163 -3.834 15.681 15.681 1270 H GLN 164 H GLN 164 -5.061 14.325 14.325 1271 HA GLN 164 HA GLN 164 -7.360 13.410 13.410 1272 1HB GLN 164 2HB GLN 164 -7.108 14.546 14.546 1273 2HB GLN 164 1HB GLN 164 -7.567 12.912 12.912 1274 1HG GLN 164 2HG GLN 164 -9.567 13.160 13.160 1275 2HG GLN 164 1HG GLN 164 -9.097 14.831 14.831 1276 1HE2 GLN 164 2HE2 GLN 164 -11.025 14.010 14.010 1277 2HE2 GLN 164 1HE2 GLN 164 -10.969 12.899 12.899 1278 H LEU 165 H LEU 165 -5.229 12.111 12.111 1279 HA LEU 165 HA LEU 165 -6.089 9.434 9.434 1280 1HB LEU 165 2HB LEU 165 -3.423 10.780 10.780 1281 2HB LEU 165 1HB LEU 165 -3.491 9.052 9.052 1282 HG LEU 165 HG LEU 165 -3.566 10.224 10.224 1283 1HD1 LEU 165 2HD1 LEU 165 -4.332 7.873 7.873 1284 2HD1 LEU 165 1HD1 LEU 165 -5.955 8.454 8.454 1285 3HD1 LEU 165 3HD1 LEU 165 -5.249 8.757 8.757 1286 1HD2 LEU 165 3HD2 LEU 165 -6.392 10.972 10.972 1287 2HD2 LEU 165 2HD2 LEU 165 -5.056 12.089 12.089 1288 3HD2 LEU 165 1HD2 LEU 165 -5.708 11.100 11.100 1289 H LEU 166 H LEU 166 -3.352 10.684 10.684 1290 HA LEU 166 HA LEU 166 -3.295 8.145 8.145 1291 1HB LEU 166 2HB LEU 166 -2.443 10.857 10.857 1292 2HB LEU 166 1HB LEU 166 -2.872 9.871 9.871 1293 HG LEU 166 HG LEU 166 -0.440 9.610 9.610 1294 1HD1 LEU 166 3HD1 LEU 166 -1.609 7.601 7.601 1295 2HD1 LEU 166 2HD1 LEU 166 -2.029 7.068 7.068 1296 3HD1 LEU 166 1HD1 LEU 166 -0.368 7.087 7.087 1297 1HD2 LEU 166 1HD2 LEU 166 -1.477 8.478 8.478 1298 2HD2 LEU 166 3HD2 LEU 166 -0.563 9.960 9.960 1299 3HD2 LEU 166 2HD2 LEU 166 0.178 8.408 8.408 1300 H GLY 167 H GLY 167 -5.378 10.887 10.887 1301 1HA GLY 167 2HA GLY 167 -6.721 9.669 9.669 1302 2HA GLY 167 1HA GLY 167 -7.532 10.728 10.728 1303 H THR 168 H THR 168 -7.234 8.979 8.979 1304 HA THR 168 HA THR 168 -9.568 7.182 7.182 1305 HB THR 168 HB THR 168 -8.352 6.517 6.517 1306 HG1 THR 168 HG1 THR 168 -7.942 9.254 9.254 1307 1HG2 THR 168 1HG2 THR 168 -10.488 8.580 8.580 1308 2HG2 THR 168 3HG2 THR 168 -10.189 7.845 7.845 1309 3HG2 THR 168 2HG2 THR 168 -10.774 6.889 6.889 1310 H TYR 169 H TYR 169 -6.303 6.907 6.907 1311 HA TYR 169 HA TYR 169 -5.686 4.227 4.227 1312 1HB TYR 169 2HB TYR 169 -4.124 6.024 6.024 1313 2HB TYR 169 1HB TYR 169 -4.134 6.428 6.428 1314 HD1 TYR 169 HD1 TYR 169 -2.779 3.956 3.956 1315 HD2 TYR 169 HD2 TYR 169 -2.819 5.284 5.284 1316 HE1 TYR 169 HE1 TYR 169 -0.739 2.683 2.683 1317 HE2 TYR 169 HE2 TYR 169 -0.757 3.982 3.982 1318 HH TYR 169 HH TYR 169 1.091 3.435 3.435 1319 H LYS 170 H LYS 170 -5.474 6.107 6.107 1320 HA LYS 170 HA LYS 170 -4.977 3.865 3.865 1321 1HB LYS 170 2HB LYS 170 -5.814 5.289 5.289 1322 2HB LYS 170 1HB LYS 170 -4.772 6.181 6.181 1323 1HG LYS 170 2HG LYS 170 -6.425 7.403 7.403 1324 2HG LYS 170 1HG LYS 170 -7.693 6.266 6.266 1325 1HD LYS 170 2HD LYS 170 -7.209 6.889 6.889 1326 2HD LYS 170 1HD LYS 170 -6.166 8.150 8.150 1327 1HE LYS 170 2HE LYS 170 -8.497 8.957 8.957 1328 2HE LYS 170 1HE LYS 170 -8.007 9.200 9.200 1329 1HZ LYS 170 3HZ LYS 170 -9.128 6.620 6.620 1330 2HZ LYS 170 2HZ LYS 170 -10.212 7.817 7.817 1331 3HZ LYS 170 1HZ LYS 170 -9.590 7.905 7.905 1332 H GLN 171 H GLN 171 -7.988 4.776 4.776 1333 HA GLN 171 HA GLN 171 -9.523 2.930 2.930 1334 1HB GLN 171 2HB GLN 171 -10.380 4.683 4.683 1335 2HB GLN 171 1HB GLN 171 -11.440 3.478 3.478 1336 1HG GLN 171 2HG GLN 171 -10.680 4.763 4.763 1337 2HG GLN 171 1HG GLN 171 -10.547 6.076 6.076 1338 1HE2 GLN 171 2HE2 GLN 171 -14.001 6.576 6.576 1339 2HE2 GLN 171 1HE2 GLN 171 -12.456 7.267 7.267 1340 H VAL 172 H VAL 172 -8.339 3.097 3.097 1341 HA VAL 172 HA VAL 172 -9.671 0.574 0.574 1342 HB VAL 172 HB VAL 172 -8.947 1.171 1.171 1343 1HG1 VAL 172 3HG1 VAL 172 -7.416 3.372 3.372 1344 2HG1 VAL 172 2HG1 VAL 172 -7.743 3.327 3.327 1345 3HG1 VAL 172 1HG1 VAL 172 -9.067 3.484 3.484 1346 1HG2 VAL 172 2HG2 VAL 172 -6.903 -0.177 -0.177 1347 2HG2 VAL 172 1HG2 VAL 172 -6.622 1.249 1.249 1348 3HG2 VAL 172 3HG2 VAL 172 -6.066 1.233 1.233 1349 H ILE 173 H ILE 173 -6.446 1.565 1.565 1350 HA ILE 173 HA ILE 173 -5.084 -0.883 -0.883 1351 HB ILE 173 HB ILE 173 -4.812 1.707 1.707 1352 1HG1 ILE 173 2HG1 ILE 173 -4.436 1.839 1.839 1353 2HG1 ILE 173 1HG1 ILE 173 -3.093 2.342 2.342 1354 1HG2 ILE 173 3HG2 ILE 173 -2.766 -0.510 -0.510 1355 2HG2 ILE 173 2HG2 ILE 173 -2.548 1.090 1.090 1356 3HG2 ILE 173 1HG2 ILE 173 -3.709 -0.005 -0.005 1357 1HD1 ILE 173 1HD1 ILE 173 -3.367 -0.404 -0.404 1358 2HD1 ILE 173 3HD1 ILE 173 -2.392 0.909 0.909 1359 3HD1 ILE 173 2HD1 ILE 173 -1.972 0.141 0.141 1360 H SER 174 H SER 174 -6.815 0.806 0.806 1361 HA SER 174 HA SER 174 -6.456 -1.303 -1.303 1362 1HB SER 174 2HB SER 174 -6.945 0.939 0.939 1363 2HB SER 174 1HB SER 174 -8.520 0.898 0.898 1364 HG SER 174 HG SER 174 -8.574 -1.228 -1.228 1365 H VAL 175 H VAL 175 -8.101 -1.359 -1.359 1366 HA VAL 175 HA VAL 175 -10.132 -3.321 -3.321 1367 HB VAL 175 HB VAL 175 -10.149 -1.200 -1.200 1368 1HG1 VAL 175 3HG1 VAL 175 -11.776 -3.787 -3.787 1369 2HG1 VAL 175 2HG1 VAL 175 -12.018 -2.400 -2.400 1370 3HG1 VAL 175 1HG1 VAL 175 -10.536 -3.330 -3.330 1371 1HG2 VAL 175 2HG2 VAL 175 -11.214 -0.860 -0.860 1372 2HG2 VAL 175 1HG2 VAL 175 -12.403 -0.910 -0.910 1373 3HG2 VAL 175 3HG2 VAL 175 -12.197 -2.309 -2.309 1374 H VAL 176 H VAL 176 -7.411 -2.694 -2.694 1375 HA VAL 176 HA VAL 176 -7.873 -5.248 -5.248 1376 HB VAL 176 HB VAL 176 -6.026 -4.730 -4.730 1377 1HG1 VAL 176 1HG1 VAL 176 -8.359 -4.045 -4.045 1378 2HG1 VAL 176 3HG1 VAL 176 -8.027 -2.507 -2.507 1379 3HG1 VAL 176 2HG1 VAL 176 -7.286 -2.935 -2.935 1380 1HG2 VAL 176 2HG2 VAL 176 -4.732 -3.278 -3.278 1381 2HG2 VAL 176 1HG2 VAL 176 -5.105 -2.483 -2.483 1382 3HG2 VAL 176 3HG2 VAL 176 -6.124 -2.190 -2.190 1383 H VAL 177 H VAL 177 -5.850 -3.719 -3.719 1384 HA VAL 177 HA VAL 177 -3.769 -5.645 -5.645 1385 HB VAL 177 HB VAL 177 -3.971 -3.158 -3.158 1386 1HG1 VAL 177 2HG1 VAL 177 -6.094 -3.243 -3.243 1387 2HG1 VAL 177 1HG1 VAL 177 -5.400 -4.285 -4.285 1388 3HG1 VAL 177 3HG1 VAL 177 -4.800 -2.657 -2.657 1389 1HG2 VAL 177 3HG2 VAL 177 -2.915 -5.153 -5.153 1390 2HG2 VAL 177 2HG2 VAL 177 -1.986 -4.346 -4.346 1391 3HG2 VAL 177 1HG2 VAL 177 -2.627 -3.442 -3.442 1392 H GLN 178 H GLN 178 -6.988 -5.287 -5.287 1393 HA GLN 178 HA GLN 178 -6.698 -7.881 -7.881 1394 1HB GLN 178 2HB GLN 178 -8.541 -5.519 -5.519 1395 2HB GLN 178 1HB GLN 178 -9.075 -7.075 -7.075 1396 1HG GLN 178 2HG GLN 178 -7.162 -7.217 -7.217 1397 2HG GLN 178 1HG GLN 178 -6.369 -5.852 -5.852 1398 1HE2 GLN 178 2HE2 GLN 178 -8.947 -5.108 -5.108 1399 2HE2 GLN 178 1HE2 GLN 178 -8.510 -6.714 -6.714 1400 H ALA 179 H ALA 179 -6.873 -7.581 -7.581 1401 HA ALA 179 HA ALA 179 -9.495 -8.863 -8.863 1402 1HB ALA 179 2HB ALA 179 -7.447 -7.626 -7.626 1403 2HB ALA 179 1HB ALA 179 -8.968 -8.312 -8.312 1404 3HB ALA 179 3HB ALA 179 -8.968 -6.893 -6.893 1405 H PHE 180 H PHE 180 -6.100 -9.140 -9.140 1406 HA PHE 180 HA PHE 180 -6.547 -12.046 -12.046 1407 1HB PHE 180 2HB PHE 180 -4.461 -11.597 -11.597 1408 2HB PHE 180 1HB PHE 180 -6.056 -11.021 -11.021 1409 HD1 PHE 180 HD2 PHE 180 -3.044 -9.796 -9.796 1410 HD2 PHE 180 HD1 PHE 180 -6.308 -8.828 -8.828 1411 HE1 PHE 180 HE2 PHE 180 -2.307 -7.425 -7.425 1412 HE2 PHE 180 HE1 PHE 180 -5.581 -6.508 -6.508 1413 HZ PHE 180 HZ PHE 180 -3.553 -5.823 -5.823 Start of MODEL 7 1 1H SER 1 2H SER 1 1.786 -11.474 -11.474 2 2H SER 1 1H SER 1 2.276 -11.447 -11.447 3 3H SER 1 3H SER 1 0.705 -10.963 -10.963 4 HA SER 1 HA SER 1 0.033 -13.058 -13.058 5 1HB SER 1 2HB SER 1 2.944 -14.015 -14.015 6 2HB SER 1 1HB SER 1 1.558 -14.496 -14.496 7 HG SER 1 HG SER 1 2.378 -12.956 -12.956 8 HA PRO 2 HA PRO 2 0.588 -15.145 -15.145 9 1HB PRO 2 2HB PRO 2 0.658 -17.819 -17.819 10 2HB PRO 2 1HB PRO 2 -0.836 -16.882 -16.882 11 1HG PRO 2 2HG PRO 2 0.999 -17.434 -17.434 12 2HG PRO 2 1HG PRO 2 -0.740 -17.732 -17.732 13 1HD PRO 2 2HD PRO 2 0.048 -15.461 -15.461 14 2HD PRO 2 1HD PRO 2 -1.249 -15.348 -15.348 15 H LEU 3 H LEU 3 2.726 -14.030 -14.030 16 HA LEU 3 HA LEU 3 5.016 -15.875 -15.875 17 1HB LEU 3 2HB LEU 3 4.984 -12.838 -12.838 18 2HB LEU 3 1HB LEU 3 6.415 -13.798 -13.798 19 HG LEU 3 HG LEU 3 4.075 -13.688 -13.688 20 1HD1 LEU 3 2HD1 LEU 3 6.730 -12.168 -12.168 21 2HD1 LEU 3 1HD1 LEU 3 5.533 -12.161 -12.161 22 3HD1 LEU 3 3HD1 LEU 3 5.157 -11.442 -11.442 23 1HD2 LEU 3 3HD2 LEU 3 6.955 -14.678 -14.678 24 2HD2 LEU 3 2HD2 LEU 3 5.542 -15.713 -15.713 25 3HD2 LEU 3 1HD2 LEU 3 5.756 -14.652 -14.652 26 HA PRO 4 HA PRO 4 5.285 -15.446 -15.446 27 1HB PRO 4 2HB PRO 4 3.899 -13.739 -13.739 28 2HB PRO 4 1HB PRO 4 5.181 -13.107 -13.107 29 1HG PRO 4 2HG PRO 4 2.159 -13.135 -13.135 30 2HG PRO 4 1HG PRO 4 3.298 -11.822 -11.822 31 1HD PRO 4 2HD PRO 4 2.454 -13.775 -13.775 32 2HD PRO 4 1HD PRO 4 3.834 -12.669 -12.669 33 H ILE 5 H ILE 5 3.948 -16.349 -16.349 34 HA ILE 5 HA ILE 5 2.245 -18.402 -18.402 35 HB ILE 5 HB ILE 5 2.032 -16.966 -16.966 36 1HG1 ILE 5 2HG1 ILE 5 3.891 -19.281 -19.281 37 2HG1 ILE 5 1HG1 ILE 5 4.457 -17.639 -17.639 38 1HG2 ILE 5 3HG2 ILE 5 0.248 -18.655 -18.655 39 2HG2 ILE 5 2HG2 ILE 5 1.470 -19.861 -19.861 40 3HG2 ILE 5 1HG2 ILE 5 1.294 -19.231 -19.231 41 1HD1 ILE 5 1HD1 ILE 5 3.716 -17.637 -17.637 42 2HD1 ILE 5 3HD1 ILE 5 3.218 -19.314 -19.314 43 3HD1 ILE 5 2HD1 ILE 5 4.904 -18.884 -18.884 44 H THR 6 H THR 6 1.349 -15.348 -15.348 45 HA THR 6 HA THR 6 -0.343 -13.881 -13.881 46 HB THR 6 HB THR 6 -2.032 -16.477 -16.477 47 HG1 THR 6 HG1 THR 6 -0.773 -16.373 -16.373 48 1HG2 THR 6 2HG2 THR 6 -2.720 -13.672 -13.672 49 2HG2 THR 6 1HG2 THR 6 -3.724 -15.106 -15.106 50 3HG2 THR 6 3HG2 THR 6 -3.448 -14.344 -14.344 51 HA PRO 7 HA PRO 7 -1.740 -13.898 -13.898 52 1HB PRO 7 2HB PRO 7 -2.129 -11.279 -11.279 53 2HB PRO 7 1HB PRO 7 -0.550 -11.856 -11.856 54 1HG PRO 7 2HG PRO 7 -2.775 -10.578 -10.578 55 2HG PRO 7 1HG PRO 7 -1.034 -10.382 -10.382 56 1HD PRO 7 2HD PRO 7 -2.746 -12.273 -12.273 57 2HD PRO 7 1HD PRO 7 -0.977 -12.126 -12.126 58 H VAL 8 H VAL 8 -3.599 -12.906 -12.906 59 HA VAL 8 HA VAL 8 -6.168 -13.515 -13.515 60 HB VAL 8 HB VAL 8 -5.775 -15.211 -15.211 61 1HG1 VAL 8 2HG1 VAL 8 -3.935 -14.146 -14.146 62 2HG1 VAL 8 1HG1 VAL 8 -5.096 -13.134 -13.134 63 3HG1 VAL 8 3HG1 VAL 8 -5.148 -14.857 -14.857 64 1HG2 VAL 8 1HG2 VAL 8 -8.094 -14.333 -14.333 65 2HG2 VAL 8 3HG2 VAL 8 -7.536 -14.907 -14.907 66 3HG2 VAL 8 2HG2 VAL 8 -7.597 -13.192 -13.192 67 H ASN 9 H ASN 9 -5.302 -11.670 -11.670 68 HA ASN 9 HA ASN 9 -7.014 -9.428 -9.428 69 1HB ASN 9 2HB ASN 9 -6.932 -10.551 -10.551 70 2HB ASN 9 1HB ASN 9 -7.625 -8.995 -8.995 71 1HD2 ASN 9 2HD2 ASN 9 -9.871 -11.527 -11.527 72 2HD2 ASN 9 1HD2 ASN 9 -8.399 -10.956 -10.956 73 H ALA 10 H ALA 10 -4.773 -10.049 -10.049 74 HA ALA 10 HA ALA 10 -3.208 -7.759 -7.759 75 1HB ALA 10 3HB ALA 10 -4.643 -6.973 -6.973 76 2HB ALA 10 2HB ALA 10 -3.991 -8.202 -8.202 77 3HB ALA 10 1HB ALA 10 -2.958 -6.919 -6.919 78 H THR 11 H THR 11 -2.441 -9.485 -9.485 79 HA THR 11 HA THR 11 -0.209 -10.737 -10.737 80 HB THR 11 HB THR 11 0.875 -9.936 -9.936 81 HG1 THR 11 HG1 THR 11 0.021 -7.748 -7.748 82 1HG2 THR 11 3HG2 THR 11 1.324 -8.780 -8.780 83 2HG2 THR 11 2HG2 THR 11 2.365 -8.513 -8.513 84 3HG2 THR 11 1HG2 THR 11 2.201 -10.112 -10.112 85 H CYS 12 H CYS 12 -2.623 -11.547 -11.547 86 HA CYS 12 HA CYS 12 -1.016 -13.366 -13.366 87 1HB CYS 12 2HB CYS 12 -3.883 -12.750 -12.750 88 2HB CYS 12 1HB CYS 12 -3.556 -14.408 -14.408 89 H ALA 13 H ALA 13 -0.631 -13.701 -13.701 90 HA ALA 13 HA ALA 13 -1.243 -16.587 -16.587 91 1HB ALA 13 1HB ALA 13 -0.719 -14.467 -14.467 92 2HB ALA 13 3HB ALA 13 -1.038 -16.162 -16.162 93 3HB ALA 13 2HB ALA 13 -2.297 -15.151 -15.151 94 H ILE 14 H ILE 14 1.019 -14.000 -14.000 95 HA ILE 14 HA ILE 14 3.220 -15.961 -15.961 96 HB ILE 14 HB ILE 14 4.516 -14.458 -14.458 97 1HG1 ILE 14 2HG1 ILE 14 3.297 -13.199 -13.199 98 2HG1 ILE 14 1HG1 ILE 14 1.746 -13.752 -13.752 99 1HG2 ILE 14 1HG2 ILE 14 3.782 -16.764 -16.764 100 2HG2 ILE 14 3HG2 ILE 14 2.209 -16.170 -16.170 101 3HG2 ILE 14 2HG2 ILE 14 3.638 -15.734 -15.734 102 1HD1 ILE 14 1HD1 ILE 14 3.629 -11.953 -11.953 103 2HD1 ILE 14 3HD1 ILE 14 2.247 -11.391 -11.391 104 3HD1 ILE 14 2HD1 ILE 14 2.003 -12.391 -12.391 105 H ARG 15 H ARG 15 1.641 -14.207 -14.207 106 HA ARG 15 HA ARG 15 3.153 -11.776 -11.776 107 1HB ARG 15 2HB ARG 15 0.872 -12.099 -12.099 108 2HB ARG 15 1HB ARG 15 1.586 -13.290 -13.290 109 1HG ARG 15 2HG ARG 15 3.304 -11.557 -11.557 110 2HG ARG 15 1HG ARG 15 2.507 -10.420 -10.420 111 1HD ARG 15 2HD ARG 15 0.486 -10.543 -10.543 112 2HD ARG 15 1HD ARG 15 1.359 -11.658 -11.658 113 HE ARG 15 HE ARG 15 2.304 -8.920 -8.920 114 1HH1 ARG 15 2HH1 ARG 15 2.350 -11.482 -11.482 115 2HH1 ARG 15 1HH1 ARG 15 3.252 -10.574 -10.574 116 1HH2 ARG 15 1HH2 ARG 15 3.556 -7.767 -7.767 117 2HH2 ARG 15 2HH2 ARG 15 4.019 -8.484 -8.484 118 H HIS 16 H HIS 16 3.077 -14.493 -14.493 119 HA HIS 16 HA HIS 16 6.031 -14.467 -14.467 120 1HB HIS 16 2HB HIS 16 4.002 -14.525 -14.525 121 2HB HIS 16 1HB HIS 16 5.678 -14.979 -14.979 122 HD1 HIS 16 HD1 HIS 16 5.282 -13.056 -13.056 123 HD2 HIS 16 HD2 HIS 16 5.704 -11.681 -11.681 124 HE1 HIS 16 HE1 HIS 16 5.884 -10.650 -10.650 125 HA PRO 17 HA PRO 17 4.758 -18.801 -18.801 126 1HB PRO 17 2HB PRO 17 7.081 -20.054 -20.054 127 2HB PRO 17 1HB PRO 17 6.378 -19.240 -19.240 128 1HG PRO 17 2HG PRO 17 8.618 -18.267 -18.267 129 2HG PRO 17 1HG PRO 17 8.524 -18.125 -18.125 130 1HD PRO 17 2HD PRO 17 7.709 -16.093 -16.093 131 2HD PRO 17 1HD PRO 17 7.339 -16.108 -16.108 132 H CYS 18 H CYS 18 4.744 -17.084 -17.084 133 HA CYS 18 HA CYS 18 6.376 -18.388 -18.388 134 1HB CYS 18 2HB CYS 18 5.953 -16.308 -16.308 135 2HB CYS 18 1HB CYS 18 6.818 -15.968 -15.968 136 H HIS 19 H HIS 19 5.275 -19.248 -19.248 137 HA HIS 19 HA HIS 19 2.354 -18.879 -18.879 138 1HB HIS 19 2HB HIS 19 3.651 -21.655 -21.655 139 2HB HIS 19 1HB HIS 19 1.971 -21.400 -21.400 140 HD1 HIS 19 HD1 HIS 19 4.243 -20.604 -20.604 141 HD2 HIS 19 HD2 HIS 19 0.250 -20.926 -20.926 142 HE1 HIS 19 HE1 HIS 19 3.079 -20.398 -20.398 143 H GLY 20 H GLY 20 1.837 -20.756 -20.756 144 1HA GLY 20 2HA GLY 20 3.023 -21.607 -21.607 145 2HA GLY 20 1HA GLY 20 3.449 -19.898 -19.898 146 H ASN 21 H ASN 21 1.955 -18.743 -18.743 147 HA ASN 21 HA ASN 21 -0.920 -19.575 -19.575 148 1HB ASN 21 2HB ASN 21 0.216 -20.454 -20.454 149 2HB ASN 21 1HB ASN 21 0.329 -18.771 -18.771 150 1HD2 ASN 21 2HD2 ASN 21 -3.111 -20.590 -20.590 151 2HD2 ASN 21 1HD2 ASN 21 -1.632 -21.397 -21.397 152 H LEU 22 H LEU 22 1.011 -17.235 -17.235 153 HA LEU 22 HA LEU 22 1.334 -14.945 -14.945 154 1HB LEU 22 2HB LEU 22 -0.183 -15.259 -15.259 155 2HB LEU 22 1HB LEU 22 -1.393 -14.488 -14.488 156 HG LEU 22 HG LEU 22 0.743 -12.875 -12.875 157 1HD1 LEU 22 2HD1 LEU 22 2.268 -14.289 -14.289 158 2HD1 LEU 22 1HD1 LEU 22 1.297 -13.952 -13.952 159 3HD1 LEU 22 3HD1 LEU 22 2.208 -12.683 -12.683 160 1HD2 LEU 22 2HD2 LEU 22 -1.400 -12.071 -12.071 161 2HD2 LEU 22 1HD2 LEU 22 -0.017 -11.279 -11.279 162 3HD2 LEU 22 3HD2 LEU 22 -0.862 -12.515 -12.515 163 H MET 23 H MET 23 -1.825 -16.149 -16.149 164 HA MET 23 HA MET 23 -3.355 -14.476 -14.476 165 1HB MET 23 2HB MET 23 -3.560 -16.944 -16.944 166 2HB MET 23 1HB MET 23 -2.425 -17.022 -17.022 167 1HG MET 23 2HG MET 23 -4.671 -17.119 -17.119 168 2HG MET 23 1HG MET 23 -4.042 -15.549 -15.549 169 1HE MET 23 3HE MET 23 -5.681 -17.483 -17.483 170 2HE MET 23 2HE MET 23 -7.292 -17.240 -17.240 171 3HE MET 23 1HE MET 23 -6.780 -16.397 -16.397 172 H ASN 24 H ASN 24 -0.728 -15.754 -15.754 173 HA ASN 24 HA ASN 24 -1.159 -13.336 -13.336 174 1HB ASN 24 2HB ASN 24 0.410 -15.892 -15.892 175 2HB ASN 24 1HB ASN 24 0.432 -14.508 -14.508 176 1HD2 ASN 24 2HD2 ASN 24 -2.548 -16.998 -16.998 177 2HD2 ASN 24 1HD2 ASN 24 -1.091 -17.433 -17.433 178 H GLN 25 H GLN 25 0.667 -13.872 -13.872 179 HA GLN 25 HA GLN 25 3.242 -12.813 -12.813 180 1HB GLN 25 2HB GLN 25 3.242 -14.316 -14.316 181 2HB GLN 25 1HB GLN 25 2.129 -13.261 -13.261 182 1HG GLN 25 2HG GLN 25 4.833 -12.202 -12.202 183 2HG GLN 25 1HG GLN 25 4.646 -13.107 -13.107 184 1HE2 GLN 25 2HE2 GLN 25 3.509 -9.315 -9.315 185 2HE2 GLN 25 1HE2 GLN 25 4.493 -9.930 -9.930 186 H ILE 26 H ILE 26 0.666 -11.618 -11.618 187 HA ILE 26 HA ILE 26 1.657 -8.890 -8.890 188 HB ILE 26 HB ILE 26 -0.682 -8.211 -8.211 189 1HG1 ILE 26 2HG1 ILE 26 -1.087 -11.206 -11.206 190 2HG1 ILE 26 1HG1 ILE 26 -1.924 -10.244 -10.244 191 1HG2 ILE 26 1HG2 ILE 26 1.246 -8.596 -8.596 192 2HG2 ILE 26 3HG2 ILE 26 0.788 -10.301 -10.301 193 3HG2 ILE 26 2HG2 ILE 26 -0.233 -9.026 -9.026 194 1HD1 ILE 26 3HD1 ILE 26 -2.795 -8.724 -8.724 195 2HD1 ILE 26 2HD1 ILE 26 -1.984 -9.688 -9.688 196 3HD1 ILE 26 1HD1 ILE 26 -3.204 -10.391 -10.391 197 H LYS 27 H LYS 27 -0.536 -10.691 -10.691 198 HA LYS 27 HA LYS 27 -1.826 -8.537 -8.537 199 1HB LYS 27 2HB LYS 27 -2.523 -10.915 -10.915 200 2HB LYS 27 1HB LYS 27 -1.018 -11.306 -11.306 201 1HG LYS 27 2HG LYS 27 -1.648 -9.554 -9.554 202 2HG LYS 27 1HG LYS 27 -3.186 -9.402 -9.402 203 1HD LYS 27 2HD LYS 27 -2.727 -12.217 -12.217 204 2HD LYS 27 1HD LYS 27 -2.220 -11.493 -11.493 205 1HE LYS 27 2HE LYS 27 -4.431 -11.347 -11.347 206 2HE LYS 27 1HE LYS 27 -4.694 -10.203 -10.203 207 1HZ LYS 27 3HZ LYS 27 -4.480 -12.762 -12.762 208 2HZ LYS 27 2HZ LYS 27 -5.698 -12.807 -12.807 209 3HZ LYS 27 1HZ LYS 27 -5.644 -11.647 -11.647 210 H ASN 28 H ASN 28 0.884 -10.488 -10.488 211 HA ASN 28 HA ASN 28 1.846 -9.089 -9.089 212 1HB ASN 28 2HB ASN 28 3.210 -10.859 -10.859 213 2HB ASN 28 1HB ASN 28 4.190 -10.002 -10.002 214 1HD2 ASN 28 2HD2 ASN 28 2.246 -13.198 -13.198 215 2HD2 ASN 28 1HD2 ASN 28 2.443 -12.875 -12.875 216 H GLN 29 H GLN 29 2.684 -8.550 -8.550 217 HA GLN 29 HA GLN 29 4.578 -6.440 -6.440 218 1HB GLN 29 2HB GLN 29 4.570 -7.815 -7.815 219 2HB GLN 29 1HB GLN 29 3.040 -7.101 -7.101 220 1HG GLN 29 2HG GLN 29 4.106 -4.877 -4.877 221 2HG GLN 29 1HG GLN 29 5.642 -5.560 -5.560 222 1HE2 GLN 29 2HE2 GLN 29 6.337 -6.736 -6.736 223 2HE2 GLN 29 1HE2 GLN 29 6.956 -6.303 -6.303 224 H LEU 30 H LEU 30 1.362 -6.380 -6.380 225 HA LEU 30 HA LEU 30 0.758 -3.727 -3.727 226 1HB LEU 30 2HB LEU 30 -0.712 -5.815 -5.815 227 2HB LEU 30 1HB LEU 30 -1.177 -5.753 -5.753 228 HG LEU 30 HG LEU 30 -2.894 -4.645 -4.645 229 1HD1 LEU 30 1HD1 LEU 30 -2.143 -3.075 -3.075 230 2HD1 LEU 30 3HD1 LEU 30 -1.070 -2.299 -2.299 231 3HD1 LEU 30 2HD1 LEU 30 -2.797 -2.311 -2.311 232 1HD2 LEU 30 3HD2 LEU 30 -0.739 -3.299 -3.299 233 2HD2 LEU 30 2HD2 LEU 30 -1.784 -4.629 -4.629 234 3HD2 LEU 30 1HD2 LEU 30 -2.462 -3.033 -3.033 235 H ALA 31 H ALA 31 0.340 -5.664 -5.664 236 HA ALA 31 HA ALA 31 -0.467 -3.813 -3.813 237 1HB ALA 31 1HB ALA 31 -0.187 -6.206 -6.206 238 2HB ALA 31 3HB ALA 31 1.566 -6.026 -6.026 239 3HB ALA 31 2HB ALA 31 0.644 -5.239 -5.239 240 H GLN 32 H GLN 32 2.839 -4.565 -4.565 241 HA GLN 32 HA GLN 32 4.274 -2.864 -2.864 242 1HB GLN 32 2HB GLN 32 5.012 -4.508 -4.508 243 2HB GLN 32 1HB GLN 32 5.114 -2.985 -2.985 244 1HG GLN 32 2HG GLN 32 6.643 -2.141 -2.141 245 2HG GLN 32 1HG GLN 32 6.638 -3.781 -3.781 246 1HE2 GLN 32 2HE2 GLN 32 9.422 -3.138 -3.138 247 2HE2 GLN 32 1HE2 GLN 32 8.846 -2.058 -2.058 248 H LEU 33 H LEU 33 2.374 -2.199 -2.199 249 HA LEU 33 HA LEU 33 3.089 0.679 0.679 250 1HB LEU 33 2HB LEU 33 0.845 -0.533 -0.533 251 2HB LEU 33 1HB LEU 33 1.925 0.771 0.771 252 HG LEU 33 HG LEU 33 2.598 -2.197 -2.197 253 1HD1 LEU 33 1HD1 LEU 33 1.358 -1.371 -1.371 254 2HD1 LEU 33 3HD1 LEU 33 2.604 -0.175 -0.175 255 3HD1 LEU 33 2HD1 LEU 33 2.966 -1.893 -1.893 256 1HD2 LEU 33 3HD2 LEU 33 4.524 -0.809 -0.809 257 2HD2 LEU 33 2HD2 LEU 33 4.853 -1.607 -1.607 258 3HD2 LEU 33 1HD2 LEU 33 4.463 0.115 0.115 259 H ASN 34 H ASN 34 0.125 -1.322 -1.322 260 HA ASN 34 HA ASN 34 -1.842 0.498 0.498 261 1HB ASN 34 2HB ASN 34 -2.086 -1.914 -1.914 262 2HB ASN 34 1HB ASN 34 -1.118 -1.843 -1.843 263 1HD2 ASN 34 2HD2 ASN 34 -3.809 -0.550 -0.550 264 2HD2 ASN 34 1HD2 ASN 34 -2.157 -0.943 -0.943 265 H GLY 35 H GLY 35 0.454 -0.565 -0.565 266 1HA GLY 35 2HA GLY 35 -0.077 1.100 1.100 267 2HA GLY 35 1HA GLY 35 1.587 0.690 0.690 268 H SER 36 H SER 36 1.819 1.899 1.899 269 HA SER 36 HA SER 36 1.998 4.679 4.679 270 1HB SER 36 2HB SER 36 3.097 3.124 3.124 271 2HB SER 36 1HB SER 36 3.341 4.864 4.864 272 HG SER 36 HG SER 36 4.598 2.909 2.909 273 H ALA 37 H ALA 37 -0.043 2.935 2.935 274 HA ALA 37 HA ALA 37 -0.925 4.969 4.969 275 1HB ALA 37 1HB ALA 37 -1.876 2.538 2.538 276 2HB ALA 37 3HB ALA 37 -2.739 3.016 3.016 277 3HB ALA 37 2HB ALA 37 -3.114 3.772 3.772 278 H ASN 38 H ASN 38 -1.429 4.327 4.327 279 HA ASN 38 HA ASN 38 -3.072 6.779 6.779 280 1HB ASN 38 2HB ASN 38 -3.548 4.530 4.530 281 2HB ASN 38 1HB ASN 38 -2.159 4.877 4.877 282 1HD2 ASN 38 2HD2 ASN 38 -4.388 8.024 8.024 283 2HD2 ASN 38 1HD2 ASN 38 -3.216 7.988 7.988 284 H ALA 39 H ALA 39 0.163 5.506 5.506 285 HA ALA 39 HA ALA 39 0.977 7.948 7.948 286 1HB ALA 39 2HB ALA 39 2.027 5.542 5.542 287 2HB ALA 39 1HB ALA 39 2.962 5.879 5.879 288 3HB ALA 39 3HB ALA 39 3.140 6.909 6.909 289 H LEU 40 H LEU 40 2.321 6.434 6.434 290 HA LEU 40 HA LEU 40 3.805 8.506 8.506 291 1HB LEU 40 2HB LEU 40 3.609 6.420 6.420 292 2HB LEU 40 1HB LEU 40 1.886 6.616 6.616 293 HG LEU 40 HG LEU 40 3.659 7.128 7.128 294 1HD1 LEU 40 2HD1 LEU 40 1.136 8.779 8.779 295 2HD1 LEU 40 1HD1 LEU 40 2.023 8.585 8.585 296 3HD1 LEU 40 3HD1 LEU 40 1.305 7.187 7.187 297 1HD2 LEU 40 2HD2 LEU 40 3.373 9.808 9.808 298 2HD2 LEU 40 1HD2 LEU 40 4.874 9.006 9.006 299 3HD2 LEU 40 3HD2 LEU 40 3.858 9.590 9.590 300 H PHE 41 H PHE 41 0.317 7.978 7.978 301 HA PHE 41 HA PHE 41 -0.563 10.221 10.221 302 1HB PHE 41 2HB PHE 41 -2.202 8.704 8.704 303 2HB PHE 41 1HB PHE 41 -1.722 9.439 9.439 304 HD1 PHE 41 HD2 PHE 41 -1.941 11.684 11.684 305 HD2 PHE 41 HD1 PHE 41 -4.088 9.988 9.988 306 HE1 PHE 41 HE2 PHE 41 -3.711 13.272 13.272 307 HE2 PHE 41 HE1 PHE 41 -5.876 11.640 11.640 308 HZ PHE 41 HZ PHE 41 -5.633 13.297 13.297 309 H ILE 42 H ILE 42 0.193 10.279 10.279 310 HA ILE 42 HA ILE 42 -0.066 13.158 13.158 311 HB ILE 42 HB ILE 42 0.718 10.824 10.824 312 1HG1 ILE 42 2HG1 ILE 42 -1.382 10.924 10.924 313 2HG1 ILE 42 1HG1 ILE 42 -1.388 12.681 12.681 314 1HG2 ILE 42 2HG2 ILE 42 0.779 13.734 13.734 315 2HG2 ILE 42 1HG2 ILE 42 0.894 12.383 12.383 316 3HG2 ILE 42 3HG2 ILE 42 2.153 12.633 12.633 317 1HD1 ILE 42 1HD1 ILE 42 -1.945 11.089 11.089 318 2HD1 ILE 42 3HD1 ILE 42 -3.171 11.790 11.790 319 3HD1 ILE 42 2HD1 ILE 42 -1.978 12.768 12.768 320 H SER 43 H SER 43 2.650 10.880 10.880 321 HA SER 43 HA SER 43 4.516 13.116 13.116 322 1HB SER 43 2HB SER 43 6.324 11.488 11.488 323 2HB SER 43 1HB SER 43 5.139 10.638 10.638 324 HG SER 43 HG SER 43 5.562 10.546 10.546 325 H TYR 44 H TYR 44 2.574 12.227 12.227 326 HA TYR 44 HA TYR 44 4.135 13.092 13.092 327 1HB TYR 44 2HB TYR 44 2.879 11.283 11.283 328 2HB TYR 44 1HB TYR 44 1.519 11.590 11.590 329 HD1 TYR 44 HD2 TYR 44 3.255 12.398 12.398 330 HD2 TYR 44 HD1 TYR 44 -0.185 13.152 13.152 331 HE1 TYR 44 HE2 TYR 44 2.412 13.578 13.578 332 HE2 TYR 44 HE1 TYR 44 -1.099 14.359 14.359 333 HH TYR 44 HH TYR 44 0.594 15.611 15.611 334 H TYR 45 H TYR 45 0.924 13.905 13.905 335 HA TYR 45 HA TYR 45 0.978 16.459 16.459 336 1HB TYR 45 2HB TYR 45 -1.161 16.974 16.974 337 2HB TYR 45 1HB TYR 45 -1.147 15.255 15.255 338 HD1 TYR 45 HD1 TYR 45 -0.118 17.339 17.339 339 HD2 TYR 45 HD2 TYR 45 -2.542 14.198 14.198 340 HE1 TYR 45 HE1 TYR 45 -1.003 16.976 16.976 341 HE2 TYR 45 HE2 TYR 45 -3.420 13.864 13.864 342 HH TYR 45 HH TYR 45 -2.633 14.258 14.258 343 H THR 46 H THR 46 1.879 15.665 15.665 344 HA THR 46 HA THR 46 1.770 18.349 18.349 345 HB THR 46 HB THR 46 3.782 17.652 17.652 346 HG1 THR 46 HG1 THR 46 3.533 15.098 15.098 347 1HG2 THR 46 1HG2 THR 46 1.420 15.707 15.707 348 2HG2 THR 46 3HG2 THR 46 2.584 15.799 15.799 349 3HG2 THR 46 2HG2 THR 46 1.530 17.149 17.149 350 H ALA 47 H ALA 47 4.297 16.683 16.683 351 HA ALA 47 HA ALA 47 6.262 18.649 18.649 352 1HB ALA 47 1HB ALA 47 6.599 16.278 16.278 353 2HB ALA 47 3HB ALA 47 5.451 16.587 16.587 354 3HB ALA 47 2HB ALA 47 6.986 17.436 17.436 355 H GLN 48 H GLN 48 3.139 18.584 18.584 356 HA GLN 48 HA GLN 48 3.931 20.259 20.259 357 1HB GLN 48 2HB GLN 48 1.221 19.689 19.689 358 2HB GLN 48 1HB GLN 48 1.435 20.530 20.530 359 1HG GLN 48 2HG GLN 48 2.000 17.618 17.618 360 2HG GLN 48 1HG GLN 48 1.041 18.173 18.173 361 1HE2 GLN 48 2HE2 GLN 48 4.934 17.473 17.473 362 2HE2 GLN 48 1HE2 GLN 48 3.974 17.037 17.037 363 H GLY 49 H GLY 49 2.582 20.756 20.756 364 1HA GLY 49 2HA GLY 49 2.986 22.751 22.751 365 2HA GLY 49 1HA GLY 49 3.181 23.657 23.657 366 H GLU 50 H GLU 50 1.455 24.202 24.202 367 HA GLU 50 HA GLU 50 -1.195 23.497 23.497 368 1HB GLU 50 2HB GLU 50 0.111 26.123 26.123 369 2HB GLU 50 1HB GLU 50 -1.609 25.872 25.872 370 1HG GLU 50 2HG GLU 50 0.316 23.815 23.815 371 2HG GLU 50 1HG GLU 50 0.002 25.321 25.321 372 HA PRO 51 HA PRO 51 -3.288 24.526 24.526 373 1HB PRO 51 2HB PRO 51 -5.712 24.615 24.615 374 2HB PRO 51 1HB PRO 51 -4.838 26.124 26.124 375 1HG PRO 51 2HG PRO 51 -5.074 24.558 24.558 376 2HG PRO 51 1HG PRO 51 -5.315 26.296 26.296 377 1HD PRO 51 2HD PRO 51 -2.899 25.198 25.198 378 2HD PRO 51 1HD PRO 51 -2.960 26.713 26.713 379 H PHE 52 H PHE 52 -2.399 22.349 22.349 380 HA PHE 52 HA PHE 52 -4.011 20.334 20.334 381 1HB PHE 52 2HB PHE 52 -1.048 20.614 20.614 382 2HB PHE 52 1HB PHE 52 -1.617 18.994 18.994 383 HD1 PHE 52 HD1 PHE 52 -3.680 18.225 18.225 384 HD2 PHE 52 HD2 PHE 52 -0.578 21.021 21.021 385 HE1 PHE 52 HE1 PHE 52 -4.026 17.806 17.806 386 HE2 PHE 52 HE2 PHE 52 -0.947 20.573 20.573 387 HZ PHE 52 HZ PHE 52 -2.615 19.018 19.018 388 HA PRO 53 HA PRO 53 -2.987 18.033 18.033 389 1HB PRO 53 2HB PRO 53 -2.044 19.719 19.719 390 2HB PRO 53 1HB PRO 53 -1.035 18.601 18.601 391 1HG PRO 53 2HG PRO 53 -1.542 21.558 21.558 392 2HG PRO 53 1HG PRO 53 0.003 20.711 20.711 393 1HD PRO 53 2HD PRO 53 -1.141 21.190 21.190 394 2HD PRO 53 1HD PRO 53 -0.518 19.555 19.555 395 H ASN 54 H ASN 54 -4.187 21.061 21.061 396 HA ASN 54 HA ASN 54 -6.391 20.728 20.728 397 1HB ASN 54 2HB ASN 54 -5.195 23.208 23.208 398 2HB ASN 54 1HB ASN 54 -6.719 23.246 23.246 399 1HD2 ASN 54 2HD2 ASN 54 -3.319 23.196 23.196 400 2HD2 ASN 54 1HD2 ASN 54 -3.356 23.449 23.449 401 H ASN 55 H ASN 55 -5.848 20.866 20.866 402 HA ASN 55 HA ASN 55 -8.837 20.677 20.677 403 1HB ASN 55 2HB ASN 55 -6.818 22.322 22.322 404 2HB ASN 55 1HB ASN 55 -8.362 21.823 21.823 405 1HD2 ASN 55 2HD2 ASN 55 -8.303 24.902 24.902 406 2HD2 ASN 55 1HD2 ASN 55 -6.868 24.067 24.067 407 H LEU 56 H LEU 56 -6.393 18.882 18.882 408 HA LEU 56 HA LEU 56 -6.035 17.643 17.643 409 1HB LEU 56 2HB LEU 56 -5.176 15.737 15.737 410 2HB LEU 56 1HB LEU 56 -4.809 17.093 17.093 411 HG LEU 56 HG LEU 56 -7.184 16.476 16.476 412 1HD1 LEU 56 1HD1 LEU 56 -7.642 14.641 14.641 413 2HD1 LEU 56 3HD1 LEU 56 -6.223 13.851 13.851 414 3HD1 LEU 56 2HD1 LEU 56 -7.623 14.044 14.044 415 1HD2 LEU 56 1HD2 LEU 56 -4.907 16.203 16.203 416 2HD2 LEU 56 3HD2 LEU 56 -6.076 14.972 14.972 417 3HD2 LEU 56 2HD2 LEU 56 -4.852 14.599 14.599 418 H ASP 57 H ASP 57 -8.488 17.431 17.431 419 HA ASP 57 HA ASP 57 -9.896 15.303 15.303 420 1HB ASP 57 2HB ASP 57 -10.321 16.989 16.989 421 2HB ASP 57 1HB ASP 57 -11.524 17.650 17.650 422 H LYS 58 H LYS 58 -10.004 18.595 18.595 423 HA LYS 58 HA LYS 58 -12.034 17.536 17.536 424 1HB LYS 58 2HB LYS 58 -11.759 20.098 20.098 425 2HB LYS 58 1HB LYS 58 -11.647 20.360 20.360 426 1HG LYS 58 2HG LYS 58 -13.773 19.236 19.236 427 2HG LYS 58 1HG LYS 58 -13.873 18.746 18.746 428 1HD LYS 58 2HD LYS 58 -14.056 21.117 21.117 429 2HD LYS 58 1HD LYS 58 -13.722 21.672 21.672 430 1HE LYS 58 2HE LYS 58 -16.131 21.842 21.842 431 2HE LYS 58 1HE LYS 58 -15.838 20.636 20.636 432 1HZ LYS 58 1HZ LYS 58 -15.752 19.371 19.371 433 2HZ LYS 58 3HZ LYS 58 -17.170 20.303 20.303 434 3HZ LYS 58 2HZ LYS 58 -16.865 19.126 19.126 435 H LEU 59 H LEU 59 -8.816 18.092 18.092 436 HA LEU 59 HA LEU 59 -8.374 18.562 18.562 437 1HB LEU 59 2HB LEU 59 -6.389 18.923 18.923 438 2HB LEU 59 1HB LEU 59 -6.266 19.514 19.514 439 HG LEU 59 HG LEU 59 -8.477 20.383 20.383 440 1HD1 LEU 59 3HD1 LEU 59 -5.934 21.802 21.802 441 2HD1 LEU 59 2HD1 LEU 59 -7.227 22.473 22.473 442 3HD1 LEU 59 1HD1 LEU 59 -6.315 21.077 21.077 443 1HD2 LEU 59 2HD2 LEU 59 -7.790 21.501 21.501 444 2HD2 LEU 59 1HD2 LEU 59 -9.225 20.568 20.568 445 3HD2 LEU 59 3HD2 LEU 59 -8.963 22.140 22.140 446 H CYS 60 H CYS 60 -8.341 16.073 16.073 447 HA CYS 60 HA CYS 60 -6.341 14.588 14.588 448 1HB CYS 60 2HB CYS 60 -6.846 14.295 14.295 449 2HB CYS 60 1HB CYS 60 -5.623 13.516 13.516 450 H GLY 61 H GLY 61 -9.310 14.879 14.879 451 1HA GLY 61 2HA GLY 61 -11.324 13.581 13.581 452 2HA GLY 61 1HA GLY 61 -10.354 12.716 12.716 453 HA PRO 62 HA PRO 62 -9.752 10.233 10.233 454 1HB PRO 62 2HB PRO 62 -10.784 11.162 11.162 455 2HB PRO 62 1HB PRO 62 -9.319 11.910 11.910 456 1HG PRO 62 2HG PRO 62 -12.238 12.751 12.751 457 2HG PRO 62 1HG PRO 62 -11.016 13.740 13.740 458 1HD PRO 62 2HD PRO 62 -11.273 13.981 13.981 459 2HD PRO 62 1HD PRO 62 -9.648 13.776 13.776 460 H ASN 63 H ASN 63 -11.657 9.952 9.952 461 HA ASN 63 HA ASN 63 -13.660 8.233 8.233 462 1HB ASN 63 2HB ASN 63 -14.356 10.282 10.282 463 2HB ASN 63 1HB ASN 63 -15.485 9.090 9.090 464 1HD2 ASN 63 2HD2 ASN 63 -16.007 10.956 10.956 465 2HD2 ASN 63 1HD2 ASN 63 -16.262 9.447 9.447 466 H VAL 64 H VAL 64 -14.349 8.600 8.600 467 HA VAL 64 HA VAL 64 -12.523 6.401 6.401 468 HB VAL 64 HB VAL 64 -14.397 5.536 5.536 469 1HG1 VAL 64 3HG1 VAL 64 -14.066 4.742 4.742 470 2HG1 VAL 64 2HG1 VAL 64 -15.117 6.018 6.018 471 3HG1 VAL 64 1HG1 VAL 64 -15.771 4.735 4.735 472 1HG2 VAL 64 2HG2 VAL 64 -16.061 7.754 7.754 473 2HG2 VAL 64 1HG2 VAL 64 -15.627 7.672 7.672 474 3HG2 VAL 64 3HG2 VAL 64 -16.689 6.469 6.469 475 H THR 65 H THR 65 -13.238 9.601 9.601 476 HA THR 65 HA THR 65 -13.116 11.107 11.107 477 HB THR 65 HB THR 65 -10.604 10.505 10.505 478 HG1 THR 65 HG1 THR 65 -10.974 12.045 12.045 479 1HG2 THR 65 2HG2 THR 65 -10.670 8.085 8.085 480 2HG2 THR 65 1HG2 THR 65 -10.696 8.957 8.957 481 3HG2 THR 65 3HG2 THR 65 -9.363 9.176 9.176 482 H ASP 66 H ASP 66 -12.008 10.091 10.091 483 HA ASP 66 HA ASP 66 -14.509 8.646 8.646 484 1HB ASP 66 2HB ASP 66 -14.046 11.115 11.115 485 2HB ASP 66 1HB ASP 66 -12.712 10.419 10.419 486 H PHE 67 H PHE 67 -12.492 7.221 7.221 487 HA PHE 67 HA PHE 67 -10.785 6.171 6.171 488 1HB PHE 67 2HB PHE 67 -9.242 5.598 5.598 489 2HB PHE 67 1HB PHE 67 -10.049 6.748 6.748 490 HD1 PHE 67 HD1 PHE 67 -12.452 5.428 5.428 491 HD2 PHE 67 HD2 PHE 67 -8.594 3.717 3.717 492 HE1 PHE 67 HE1 PHE 67 -13.029 3.694 3.694 493 HE2 PHE 67 HE2 PHE 67 -9.180 1.968 1.968 494 HZ PHE 67 HZ PHE 67 -11.397 1.934 1.934 495 HA PRO 68 HA PRO 68 -13.076 2.468 2.468 496 1HB PRO 68 2HB PRO 68 -11.378 0.337 0.337 497 2HB PRO 68 1HB PRO 68 -11.301 1.422 1.422 498 1HG PRO 68 2HG PRO 68 -9.709 1.623 1.623 499 2HG PRO 68 1HG PRO 68 -9.044 1.568 1.568 500 1HD PRO 68 2HD PRO 68 -9.429 3.946 3.946 501 2HD PRO 68 1HD PRO 68 -9.953 3.817 3.817 502 HA PRO 69 HA PRO 69 -14.155 2.025 2.025 503 1HB PRO 69 2HB PRO 69 -16.723 1.185 1.185 504 2HB PRO 69 1HB PRO 69 -16.241 2.827 2.827 505 1HG PRO 69 2HG PRO 69 -16.461 0.394 0.394 506 2HG PRO 69 1HG PRO 69 -17.277 1.957 1.957 507 1HD PRO 69 2HD PRO 69 -14.939 1.530 1.530 508 2HD PRO 69 1HD PRO 69 -15.195 3.110 3.110 509 H PHE 70 H PHE 70 -12.474 0.260 0.260 510 HA PHE 70 HA PHE 70 -12.485 -2.378 -2.378 511 1HB PHE 70 2HB PHE 70 -10.718 -1.038 -1.038 512 2HB PHE 70 1HB PHE 70 -11.759 -1.295 -1.295 513 HD1 PHE 70 HD2 PHE 70 -12.264 -3.665 -3.665 514 HD2 PHE 70 HD1 PHE 70 -9.417 -2.839 -2.839 515 HE1 PHE 70 HE2 PHE 70 -11.377 -5.947 -5.947 516 HE2 PHE 70 HE1 PHE 70 -8.543 -5.085 -5.085 517 HZ PHE 70 HZ PHE 70 -9.489 -6.650 -6.650 518 H HIS 71 H HIS 71 -14.363 -3.654 -3.654 519 HA HIS 71 HA HIS 71 -15.400 -4.030 -4.030 520 1HB HIS 71 2HB HIS 71 -16.896 -2.351 -2.351 521 2HB HIS 71 1HB HIS 71 -17.293 -3.710 -3.710 522 HD1 HIS 71 HD1 HIS 71 -17.155 -3.208 -3.208 523 HD2 HIS 71 HD2 HIS 71 -19.532 -5.019 -5.019 524 HE1 HIS 71 HE1 HIS 71 -19.055 -4.216 -4.216 525 H ALA 72 H ALA 72 -14.376 -5.965 -5.965 526 HA ALA 72 HA ALA 72 -13.782 -7.913 -7.913 527 1HB ALA 72 3HB ALA 72 -13.708 -8.233 -8.233 528 2HB ALA 72 2HB ALA 72 -15.470 -8.410 -8.410 529 3HB ALA 72 1HB ALA 72 -14.476 -9.609 -9.609 530 H ASN 73 H ASN 73 -14.920 -7.827 -7.827 531 HA ASN 73 HA ASN 73 -17.784 -8.376 -8.376 532 1HB ASN 73 2HB ASN 73 -16.925 -6.414 -6.414 533 2HB ASN 73 1HB ASN 73 -15.980 -7.484 -7.484 534 1HD2 ASN 73 2HD2 ASN 73 -18.734 -7.431 -7.431 535 2HD2 ASN 73 1HD2 ASN 73 -17.108 -6.970 -6.970 536 H GLY 74 H GLY 74 -16.613 -10.181 -10.181 537 1HA GLY 74 2HA GLY 74 -17.467 -12.468 -12.468 538 2HA GLY 74 1HA GLY 74 -16.367 -12.217 -12.217 539 H THR 75 H THR 75 -13.946 -12.195 -12.195 540 HA THR 75 HA THR 75 -13.370 -13.293 -13.293 541 HB THR 75 HB THR 75 -14.342 -15.234 -15.234 542 HG1 THR 75 HG1 THR 75 -12.861 -16.506 -16.506 543 1HG2 THR 75 3HG2 THR 75 -11.980 -14.892 -14.892 544 2HG2 THR 75 2HG2 THR 75 -13.095 -16.235 -16.235 545 3HG2 THR 75 1HG2 THR 75 -13.666 -14.622 -14.622 546 H GLU 76 H GLU 76 -11.059 -14.598 -14.598 547 HA GLU 76 HA GLU 76 -9.109 -12.610 -12.610 548 1HB GLU 76 2HB GLU 76 -7.579 -14.177 -14.177 549 2HB GLU 76 1HB GLU 76 -8.525 -14.989 -14.989 550 1HG GLU 76 2HG GLU 76 -10.135 -15.720 -15.720 551 2HG GLU 76 1HG GLU 76 -8.958 -15.064 -15.064 552 H LYS 77 H LYS 77 -10.525 -13.870 -13.870 553 HA LYS 77 HA LYS 77 -9.255 -12.195 -12.195 554 1HB LYS 77 2HB LYS 77 -11.223 -12.542 -12.542 555 2HB LYS 77 1HB LYS 77 -11.057 -14.022 -14.022 556 1HG LYS 77 2HG LYS 77 -12.752 -12.945 -12.945 557 2HG LYS 77 1HG LYS 77 -13.004 -11.700 -11.700 558 1HD LYS 77 2HD LYS 77 -13.828 -13.371 -13.371 559 2HD LYS 77 1HD LYS 77 -13.583 -14.642 -14.642 560 1HE LYS 77 2HE LYS 77 -15.950 -13.983 -13.983 561 2HE LYS 77 1HE LYS 77 -15.186 -13.435 -13.435 562 1HZ LYS 77 2HZ LYS 77 -14.970 -11.418 -11.418 563 2HZ LYS 77 1HZ LYS 77 -16.573 -11.894 -11.894 564 3HZ LYS 77 3HZ LYS 77 -15.783 -11.302 -11.302 565 H ALA 78 H ALA 78 -11.944 -11.324 -11.324 566 HA ALA 78 HA ALA 78 -11.870 -8.601 -8.601 567 1HB ALA 78 2HB ALA 78 -13.496 -9.659 -9.659 568 2HB ALA 78 1HB ALA 78 -13.615 -8.071 -8.071 569 3HB ALA 78 3HB ALA 78 -14.051 -9.470 -9.470 570 H LYS 79 H LYS 79 -11.098 -10.134 -10.134 571 HA LYS 79 HA LYS 79 -10.485 -7.807 -7.807 572 1HB LYS 79 2HB LYS 79 -9.629 -10.743 -10.743 573 2HB LYS 79 1HB LYS 79 -9.287 -9.612 -9.612 574 1HG LYS 79 2HG LYS 79 -11.721 -9.141 -9.141 575 2HG LYS 79 1HG LYS 79 -12.144 -9.846 -9.846 576 1HD LYS 79 2HD LYS 79 -12.965 -11.155 -11.155 577 2HD LYS 79 1HD LYS 79 -11.942 -12.078 -12.078 578 1HE LYS 79 2HE LYS 79 -10.863 -10.869 -10.869 579 2HE LYS 79 1HE LYS 79 -11.738 -12.387 -12.387 580 1HZ LYS 79 3HZ LYS 79 -9.813 -12.459 -12.459 581 2HZ LYS 79 2HZ LYS 79 -9.090 -11.977 -11.977 582 3HZ LYS 79 1HZ LYS 79 -9.912 -13.442 -13.442 583 H LEU 80 H LEU 80 -8.531 -9.813 -9.813 584 HA LEU 80 HA LEU 80 -6.083 -8.294 -8.294 585 1HB LEU 80 2HB LEU 80 -6.825 -10.397 -10.397 586 2HB LEU 80 1HB LEU 80 -5.220 -9.802 -9.802 587 HG LEU 80 HG LEU 80 -7.041 -11.323 -11.323 588 1HD1 LEU 80 2HD1 LEU 80 -5.941 -12.779 -12.779 589 2HD1 LEU 80 1HD1 LEU 80 -4.374 -12.127 -12.127 590 3HD1 LEU 80 3HD1 LEU 80 -5.321 -13.075 -13.075 591 1HD2 LEU 80 3HD2 LEU 80 -4.236 -10.248 -10.248 592 2HD2 LEU 80 2HD2 LEU 80 -5.660 -9.655 -9.655 593 3HD2 LEU 80 1HD2 LEU 80 -5.072 -11.264 -11.264 594 H VAL 81 H VAL 81 -8.446 -8.587 -8.587 595 HA VAL 81 HA VAL 81 -7.032 -6.761 -6.761 596 HB VAL 81 HB VAL 81 -9.984 -7.622 -7.622 597 1HG1 VAL 81 3HG1 VAL 81 -9.938 -5.399 -5.399 598 2HG1 VAL 81 2HG1 VAL 81 -8.787 -6.061 -6.061 599 3HG1 VAL 81 1HG1 VAL 81 -10.417 -6.707 -6.707 600 1HG2 VAL 81 2HG2 VAL 81 -7.758 -8.294 -8.294 601 2HG2 VAL 81 1HG2 VAL 81 -8.328 -9.315 -9.315 602 3HG2 VAL 81 3HG2 VAL 81 -9.384 -8.963 -8.963 603 H GLU 82 H GLU 82 -9.710 -6.144 -6.144 604 HA GLU 82 HA GLU 82 -9.838 -3.362 -3.362 605 1HB GLU 82 2HB GLU 82 -10.637 -5.031 -5.031 606 2HB GLU 82 1HB GLU 82 -11.167 -3.385 -3.385 607 1HG GLU 82 2HG GLU 82 -12.456 -4.078 -4.078 608 2HG GLU 82 1HG GLU 82 -11.724 -5.661 -5.661 609 H LEU 83 H LEU 83 -7.975 -5.313 -5.313 610 HA LEU 83 HA LEU 83 -6.689 -3.192 -3.192 611 1HB LEU 83 2HB LEU 83 -6.502 -5.517 -5.517 612 2HB LEU 83 1HB LEU 83 -5.878 -6.043 -6.043 613 HG LEU 83 HG LEU 83 -4.189 -6.113 -6.113 614 1HD1 LEU 83 2HD1 LEU 83 -3.344 -5.857 -5.857 615 2HD1 LEU 83 1HD1 LEU 83 -3.295 -4.109 -4.109 616 3HD1 LEU 83 3HD1 LEU 83 -2.316 -5.132 -5.132 617 1HD2 LEU 83 3HD2 LEU 83 -4.485 -3.100 -3.100 618 2HD2 LEU 83 2HD2 LEU 83 -4.893 -4.249 -4.249 619 3HD2 LEU 83 1HD2 LEU 83 -3.229 -4.027 -4.027 620 H TYR 84 H TYR 84 -5.333 -5.168 -5.168 621 HA TYR 84 HA TYR 84 -3.187 -4.003 -4.003 622 1HB TYR 84 2HB TYR 84 -4.333 -6.004 -6.004 623 2HB TYR 84 1HB TYR 84 -5.454 -5.020 -5.020 624 HD1 TYR 84 HD2 TYR 84 -4.604 -3.541 -3.541 625 HD2 TYR 84 HD1 TYR 84 -2.087 -6.100 -6.100 626 HE1 TYR 84 HE2 TYR 84 -2.965 -3.265 -3.265 627 HE2 TYR 84 HE1 TYR 84 -0.425 -5.895 -5.895 628 HH TYR 84 HH TYR 84 -0.828 -4.192 -4.192 629 H ARG 85 H ARG 85 -6.029 -3.346 -3.346 630 HA ARG 85 HA ARG 85 -5.194 -1.063 -1.063 631 1HB ARG 85 2HB ARG 85 -7.419 -2.307 -2.307 632 2HB ARG 85 1HB ARG 85 -8.040 -1.419 -1.419 633 1HG ARG 85 2HG ARG 85 -7.699 0.738 0.738 634 2HG ARG 85 1HG ARG 85 -6.790 -0.017 -0.017 635 1HD ARG 85 2HD ARG 85 -9.705 -0.602 -0.602 636 2HD ARG 85 1HD ARG 85 -9.144 0.555 0.555 637 HE ARG 85 HE ARG 85 -7.874 -1.405 -1.405 638 1HH1 ARG 85 2HH1 ARG 85 -10.774 -2.020 -2.020 639 2HH1 ARG 85 1HH1 ARG 85 -11.137 -3.426 -3.426 640 1HH2 ARG 85 1HH2 ARG 85 -8.301 -3.211 -3.211 641 2HH2 ARG 85 2HH2 ARG 85 -9.681 -4.106 -4.106 642 H MET 86 H MET 86 -6.905 -1.084 -1.084 643 HA MET 86 HA MET 86 -7.005 1.634 1.634 644 1HB MET 86 2HB MET 86 -8.091 0.063 0.063 645 2HB MET 86 1HB MET 86 -6.609 -0.744 -0.744 646 1HG MET 86 2HG MET 86 -7.204 2.108 2.108 647 2HG MET 86 1HG MET 86 -7.492 0.735 0.735 648 1HE MET 86 3HE MET 86 -6.063 -0.682 -0.682 649 2HE MET 86 2HE MET 86 -4.369 -0.436 -0.436 650 3HE MET 86 1HE MET 86 -5.570 0.562 0.562 651 H VAL 87 H VAL 87 -4.355 -0.558 -0.558 652 HA VAL 87 HA VAL 87 -2.581 1.374 1.374 653 HB VAL 87 HB VAL 87 -2.361 -1.272 -1.272 654 1HG1 VAL 87 1HG1 VAL 87 -0.260 0.299 0.299 655 2HG1 VAL 87 3HG1 VAL 87 -0.059 -1.394 -1.394 656 3HG1 VAL 87 2HG1 VAL 87 -0.095 -0.170 -0.170 657 1HG2 VAL 87 3HG2 VAL 87 -2.531 -0.598 -0.598 658 2HG2 VAL 87 2HG2 VAL 87 -3.670 -1.479 -1.479 659 3HG2 VAL 87 1HG2 VAL 87 -2.118 -2.194 -2.194 660 H ALA 88 H ALA 88 -3.246 0.116 0.116 661 HA ALA 88 HA ALA 88 -0.811 1.142 1.142 662 1HB ALA 88 2HB ALA 88 -2.141 -0.670 -0.670 663 2HB ALA 88 1HB ALA 88 -3.487 0.363 0.363 664 3HB ALA 88 3HB ALA 88 -1.955 0.575 0.575 665 H TYR 89 H TYR 89 -4.133 2.535 2.535 666 HA TYR 89 HA TYR 89 -3.190 4.994 4.994 667 1HB TYR 89 2HB TYR 89 -5.424 5.874 5.874 668 2HB TYR 89 1HB TYR 89 -5.786 4.161 4.161 669 HD1 TYR 89 HD1 TYR 89 -5.921 3.097 3.097 670 HD2 TYR 89 HD2 TYR 89 -5.956 7.295 7.295 671 HE1 TYR 89 HE1 TYR 89 -6.798 3.364 3.364 672 HE2 TYR 89 HE2 TYR 89 -6.858 7.554 7.554 673 HH TYR 89 HH TYR 89 -6.675 6.114 6.114 674 H LEU 90 H LEU 90 -3.760 3.865 3.865 675 HA LEU 90 HA LEU 90 -3.270 6.206 6.206 676 1HB LEU 90 2HB LEU 90 -4.191 4.168 4.168 677 2HB LEU 90 1HB LEU 90 -2.786 3.263 3.263 678 HG LEU 90 HG LEU 90 -3.053 3.651 3.651 679 1HD1 LEU 90 1HD1 LEU 90 -0.761 3.119 3.119 680 2HD1 LEU 90 3HD1 LEU 90 -0.426 4.833 4.833 681 3HD1 LEU 90 2HD1 LEU 90 -0.731 4.222 4.222 682 1HD2 LEU 90 2HD2 LEU 90 -3.928 5.918 5.918 683 2HD2 LEU 90 1HD2 LEU 90 -2.490 5.918 5.918 684 3HD2 LEU 90 3HD2 LEU 90 -2.412 6.526 6.526 685 H SER 91 H SER 91 -1.117 3.512 3.512 686 HA SER 91 HA SER 91 1.335 4.649 4.649 687 1HB SER 91 2HB SER 91 0.999 2.241 2.241 688 2HB SER 91 1HB SER 91 1.156 2.886 2.886 689 HG SER 91 HG SER 91 3.260 3.197 3.197 690 H ALA 92 H ALA 92 0.070 4.734 4.734 691 HA ALA 92 HA ALA 92 2.016 6.455 6.455 692 1HB ALA 92 2HB ALA 92 0.322 5.257 5.257 693 2HB ALA 92 1HB ALA 92 -0.945 6.286 6.286 694 3HB ALA 92 3HB ALA 92 0.317 6.978 6.978 695 H SER 93 H SER 93 -0.865 7.229 7.229 696 HA SER 93 HA SER 93 -0.571 10.161 10.161 697 1HB SER 93 2HB SER 93 -2.814 8.998 8.998 698 2HB SER 93 1HB SER 93 -2.581 8.381 8.381 699 HG SER 93 HG SER 93 -2.204 10.951 10.951 700 H LEU 94 H LEU 94 0.640 7.852 7.852 701 HA LEU 94 HA LEU 94 1.026 9.388 9.388 702 1HB LEU 94 2HB LEU 94 0.556 6.710 6.710 703 2HB LEU 94 1HB LEU 94 2.303 6.697 6.697 704 HG LEU 94 HG LEU 94 2.199 7.993 7.993 705 1HD1 LEU 94 2HD1 LEU 94 -0.558 6.784 6.784 706 2HD1 LEU 94 1HD1 LEU 94 0.207 7.482 7.482 707 3HD1 LEU 94 3HD1 LEU 94 -0.187 8.499 8.499 708 1HD2 LEU 94 2HD2 LEU 94 1.343 5.055 5.055 709 2HD2 LEU 94 1HD2 LEU 94 3.000 5.612 5.612 710 3HD2 LEU 94 3HD2 LEU 94 2.061 5.869 5.869 711 H THR 95 H THR 95 2.589 8.172 8.172 712 HA THR 95 HA THR 95 5.291 8.976 8.976 713 HB THR 95 HB THR 95 4.166 7.654 7.654 714 HG1 THR 95 HG1 THR 95 5.604 6.182 6.182 715 1HG2 THR 95 3HG2 THR 95 7.041 7.903 7.903 716 2HG2 THR 95 2HG2 THR 95 6.621 6.992 6.992 717 3HG2 THR 95 1HG2 THR 95 6.524 8.739 8.739 718 H ASN 96 H ASN 96 2.943 10.214 10.214 719 HA ASN 96 HA ASN 96 4.876 11.848 11.848 720 1HB ASN 96 2HB ASN 96 2.805 13.261 13.261 721 2HB ASN 96 1HB ASN 96 2.478 11.557 11.557 722 1HD2 ASN 96 2HD2 ASN 96 -0.200 13.420 13.420 723 2HD2 ASN 96 1HD2 ASN 96 0.715 13.972 13.972 724 H ILE 97 H ILE 97 2.922 12.307 12.307 725 HA ILE 97 HA ILE 97 3.956 14.901 14.901 726 HB ILE 97 HB ILE 97 1.853 14.148 14.148 727 1HG1 ILE 97 2HG1 ILE 97 3.756 14.189 14.189 728 2HG1 ILE 97 1HG1 ILE 97 3.333 15.615 15.615 729 1HG2 ILE 97 3HG2 ILE 97 2.241 11.682 11.682 730 2HG2 ILE 97 2HG2 ILE 97 3.279 11.928 11.928 731 3HG2 ILE 97 1HG2 ILE 97 1.568 12.251 12.251 732 1HD1 ILE 97 3HD1 ILE 97 1.346 13.829 13.829 733 2HD1 ILE 97 2HD1 ILE 97 1.906 15.382 15.382 734 3HD1 ILE 97 1HD1 ILE 97 0.935 15.286 15.286 735 H THR 98 H THR 98 4.913 11.597 11.597 736 HA THR 98 HA THR 98 6.776 11.988 11.988 737 HB THR 98 HB THR 98 7.176 10.281 10.281 738 HG1 THR 98 HG1 THR 98 5.388 10.103 10.103 739 1HG2 THR 98 2HG2 THR 98 9.339 10.628 10.628 740 2HG2 THR 98 1HG2 THR 98 8.478 9.991 9.991 741 3HG2 THR 98 3HG2 THR 98 8.708 8.992 8.992 742 H ARG 99 H ARG 99 7.471 12.611 12.611 743 HA ARG 99 HA ARG 99 10.146 13.650 13.650 744 1HB ARG 99 2HB ARG 99 10.421 13.984 13.984 745 2HB ARG 99 1HB ARG 99 9.368 12.586 12.586 746 1HG ARG 99 2HG ARG 99 7.415 14.387 14.387 747 2HG ARG 99 1HG ARG 99 8.670 15.488 15.488 748 1HD ARG 99 2HD ARG 99 7.561 14.559 14.559 749 2HD ARG 99 1HD ARG 99 9.232 13.957 13.957 750 HE ARG 99 HE ARG 99 7.241 12.296 12.296 751 1HH1 ARG 99 2HH1 ARG 99 8.849 13.007 13.007 752 2HH1 ARG 99 1HH1 ARG 99 8.690 11.465 11.465 753 1HH2 ARG 99 1HH2 ARG 99 6.951 10.187 10.187 754 2HH2 ARG 99 2HH2 ARG 99 7.549 9.794 9.794 755 H ASP 100 H ASP 100 6.971 15.003 15.003 756 HA ASP 100 HA ASP 100 7.588 17.703 17.703 757 1HB ASP 100 2HB ASP 100 5.319 16.229 16.229 758 2HB ASP 100 1HB ASP 100 5.138 16.900 16.900 759 H GLN 101 H GLN 101 6.974 15.833 15.833 760 HA GLN 101 HA GLN 101 7.407 17.998 17.998 761 1HB GLN 101 2HB GLN 101 6.706 15.136 15.136 762 2HB GLN 101 1HB GLN 101 7.816 15.549 15.549 763 1HG GLN 101 2HG GLN 101 5.465 15.896 15.896 764 2HG GLN 101 1HG GLN 101 6.304 17.447 17.447 765 1HE2 GLN 101 2HE2 GLN 101 2.947 17.182 17.182 766 2HE2 GLN 101 1HE2 GLN 101 3.369 16.174 16.174 767 H LYS 102 H LYS 102 9.333 15.337 15.337 768 HA LYS 102 HA LYS 102 11.633 15.644 15.644 769 1HB LYS 102 2HB LYS 102 11.246 13.808 13.808 770 2HB LYS 102 1HB LYS 102 11.478 15.000 15.000 771 1HG LYS 102 2HG LYS 102 13.702 14.450 14.450 772 2HG LYS 102 1HG LYS 102 13.473 13.406 13.406 773 1HD LYS 102 2HD LYS 102 13.600 15.683 15.683 774 2HD LYS 102 1HD LYS 102 14.201 16.404 16.404 775 1HE LYS 102 2HE LYS 102 16.088 15.790 15.790 776 2HE LYS 102 1HE LYS 102 16.078 14.887 14.887 777 1HZ LYS 102 2HZ LYS 102 14.570 13.476 13.476 778 2HZ LYS 102 1HZ LYS 102 16.079 13.898 13.898 779 3HZ LYS 102 3HZ LYS 102 16.017 13.009 13.009 780 H VAL 103 H VAL 103 10.514 17.435 17.435 781 HA VAL 103 HA VAL 103 12.944 19.136 19.136 782 HB VAL 103 HB VAL 103 10.365 19.183 19.183 783 1HG1 VAL 103 3HG1 VAL 103 13.028 20.593 20.593 784 2HG1 VAL 103 2HG1 VAL 103 11.655 20.604 20.604 785 3HG1 VAL 103 1HG1 VAL 103 11.537 21.388 21.388 786 1HG2 VAL 103 1HG2 VAL 103 11.671 17.096 17.096 787 2HG2 VAL 103 3HG2 VAL 103 11.747 18.059 18.059 788 3HG2 VAL 103 2HG2 VAL 103 13.116 18.026 18.026 789 H LEU 104 H LEU 104 9.615 19.325 19.325 790 HA LEU 104 HA LEU 104 9.700 22.186 22.186 791 1HB LEU 104 2HB LEU 104 7.803 19.975 19.975 792 2HB LEU 104 1HB LEU 104 7.584 21.583 21.583 793 HG LEU 104 HG LEU 104 6.493 20.609 20.609 794 1HD1 LEU 104 2HD1 LEU 104 7.210 23.503 23.503 795 2HD1 LEU 104 1HD1 LEU 104 5.979 23.020 23.020 796 3HD1 LEU 104 3HD1 LEU 104 5.779 22.633 22.633 797 1HD2 LEU 104 3HD2 LEU 104 8.711 20.666 20.666 798 2HD2 LEU 104 2HD2 LEU 104 7.541 21.771 21.771 799 3HD2 LEU 104 1HD2 LEU 104 8.842 22.379 22.379 800 H ASN 105 H ASN 105 10.327 19.470 19.470 801 HA ASN 105 HA ASN 105 11.241 21.696 21.696 802 1HB ASN 105 2HB ASN 105 9.302 19.586 19.586 803 2HB ASN 105 1HB ASN 105 10.125 20.621 20.621 804 1HD2 ASN 105 2HD2 ASN 105 7.888 23.259 23.259 805 2HD2 ASN 105 1HD2 ASN 105 9.173 22.663 22.663 806 HA PRO 106 HA PRO 106 14.685 19.325 19.325 807 1HB PRO 106 2HB PRO 106 15.318 20.809 20.809 808 2HB PRO 106 1HB PRO 106 15.596 21.435 21.435 809 1HG PRO 106 2HG PRO 106 13.141 21.901 21.901 810 2HG PRO 106 1HG PRO 106 14.147 23.120 23.120 811 1HD PRO 106 2HD PRO 106 11.872 22.304 22.304 812 2HD PRO 106 1HD PRO 106 13.303 22.543 22.543 813 H SER 107 H SER 107 11.711 19.434 19.434 814 HA SER 107 HA SER 107 12.328 17.432 17.432 815 1HB SER 107 2HB SER 107 9.831 19.282 19.282 816 2HB SER 107 1HB SER 107 10.311 18.282 18.282 817 HG SER 107 HG SER 107 12.456 19.571 19.571 818 H ALA 108 H ALA 108 9.901 18.497 18.497 819 HA ALA 108 HA ALA 108 8.368 16.184 16.184 820 1HB ALA 108 2HB ALA 108 9.327 17.798 17.798 821 2HB ALA 108 1HB ALA 108 7.999 16.655 16.655 822 3HB ALA 108 3HB ALA 108 7.877 18.151 18.151 823 H VAL 109 H VAL 109 11.501 16.999 16.999 824 HA VAL 109 HA VAL 109 12.004 14.881 14.881 825 HB VAL 109 HB VAL 109 13.593 16.755 16.755 826 1HG1 VAL 109 3HG1 VAL 109 13.177 16.911 16.911 827 2HG1 VAL 109 2HG1 VAL 109 14.109 15.459 15.459 828 3HG1 VAL 109 1HG1 VAL 109 14.891 16.892 16.892 829 1HG2 VAL 109 1HG2 VAL 109 14.909 14.099 14.099 830 2HG2 VAL 109 3HG2 VAL 109 14.619 14.689 14.689 831 3HG2 VAL 109 2HG2 VAL 109 15.742 15.533 15.533 832 H SER 110 H SER 110 12.088 14.876 14.876 833 HA SER 110 HA SER 110 13.061 12.111 12.111 834 1HB SER 110 2HB SER 110 13.050 14.072 14.072 835 2HB SER 110 1HB SER 110 11.402 13.517 13.517 836 HG SER 110 HG SER 110 13.741 12.325 12.325 837 H LEU 111 H LEU 111 9.960 13.735 13.735 838 HA LEU 111 HA LEU 111 8.197 11.608 11.608 839 1HB LEU 111 2HB LEU 111 7.106 13.606 13.606 840 2HB LEU 111 1HB LEU 111 8.034 14.275 14.275 841 HG LEU 111 HG LEU 111 5.667 12.387 12.387 842 1HD1 LEU 111 1HD1 LEU 111 5.253 14.682 14.682 843 2HD1 LEU 111 3HD1 LEU 111 6.108 15.373 15.373 844 3HD1 LEU 111 2HD1 LEU 111 4.594 14.517 14.517 845 1HD2 LEU 111 1HD2 LEU 111 7.232 13.934 13.934 846 2HD2 LEU 111 3HD2 LEU 111 7.083 12.188 12.188 847 3HD2 LEU 111 2HD2 LEU 111 5.691 13.137 13.137 848 H HIS 112 H HIS 112 9.647 12.659 12.659 849 HA HIS 112 HA HIS 112 8.238 10.680 10.680 850 1HB HIS 112 2HB HIS 112 9.383 11.494 11.494 851 2HB HIS 112 1HB HIS 112 9.693 12.810 12.810 852 HD1 HIS 112 HD1 HIS 112 11.732 9.575 9.575 853 HD2 HIS 112 HD2 HIS 112 12.023 13.635 13.635 854 HE1 HIS 112 HE1 HIS 112 14.098 10.075 10.075 855 H SER 113 H SER 113 11.516 10.580 10.580 856 HA SER 113 HA SER 113 12.377 8.060 8.060 857 1HB SER 113 2HB SER 113 13.578 7.762 7.762 858 2HB SER 113 1HB SER 113 13.462 9.515 9.515 859 HG SER 113 HG SER 113 12.000 9.615 9.615 860 H LYS 114 H LYS 114 10.270 8.605 8.605 861 HA LYS 114 HA LYS 114 9.449 5.955 5.955 862 1HB LYS 114 2HB LYS 114 8.263 8.691 8.691 863 2HB LYS 114 1HB LYS 114 7.091 7.405 7.405 864 1HG LYS 114 2HG LYS 114 9.690 7.371 7.371 865 2HG LYS 114 1HG LYS 114 8.195 8.037 8.037 866 1HD LYS 114 2HD LYS 114 7.056 5.997 5.997 867 2HD LYS 114 1HD LYS 114 8.034 5.226 5.226 868 1HE LYS 114 2HE LYS 114 8.921 5.889 5.889 869 2HE LYS 114 1HE LYS 114 8.522 4.293 4.293 870 1HZ LYS 114 3HZ LYS 114 10.416 5.454 5.454 871 2HZ LYS 114 2HZ LYS 114 10.997 5.631 5.631 872 3HZ LYS 114 1HZ LYS 114 10.594 4.088 4.088 873 H LEU 115 H LEU 115 8.017 8.194 8.194 874 HA LEU 115 HA LEU 115 5.895 6.694 6.694 875 1HB LEU 115 2HB LEU 115 6.751 9.270 9.270 876 2HB LEU 115 1HB LEU 115 7.370 8.706 8.706 877 HG LEU 115 HG LEU 115 5.238 9.651 9.651 878 1HD1 LEU 115 1HD1 LEU 115 5.779 7.517 7.517 879 2HD1 LEU 115 3HD1 LEU 115 4.852 6.647 6.647 880 3HD1 LEU 115 2HD1 LEU 115 4.065 7.756 7.756 881 1HD2 LEU 115 1HD2 LEU 115 4.139 7.893 7.893 882 2HD2 LEU 115 3HD2 LEU 115 4.389 9.636 9.636 883 3HD2 LEU 115 2HD2 LEU 115 3.191 8.958 8.958 884 H ASN 116 H ASN 116 9.279 6.969 6.969 885 HA ASN 116 HA ASN 116 9.261 5.611 5.611 886 1HB ASN 116 2HB ASN 116 11.378 5.353 5.353 887 2HB ASN 116 1HB ASN 116 11.527 4.669 4.669 888 1HD2 ASN 116 2HD2 ASN 116 12.545 7.609 7.609 889 2HD2 ASN 116 1HD2 ASN 116 12.270 5.928 5.928 890 H ALA 117 H ALA 117 9.527 4.424 4.424 891 HA ALA 117 HA ALA 117 9.692 1.696 1.696 892 1HB ALA 117 2HB ALA 117 9.972 2.389 2.389 893 2HB ALA 117 1HB ALA 117 8.257 2.800 2.800 894 3HB ALA 117 3HB ALA 117 8.749 1.134 1.134 895 H THR 118 H THR 118 6.780 3.403 3.403 896 HA THR 118 HA THR 118 4.928 1.424 1.424 897 HB THR 118 HB THR 118 3.381 3.665 3.665 898 HG1 THR 118 HG1 THR 118 5.552 4.665 4.665 899 1HG2 THR 118 3HG2 THR 118 4.834 3.404 3.404 900 2HG2 THR 118 2HG2 THR 118 3.321 4.252 4.252 901 3HG2 THR 118 1HG2 THR 118 3.385 2.497 2.497 902 H ILE 119 H ILE 119 6.427 3.566 3.566 903 HA ILE 119 HA ILE 119 4.707 2.763 2.763 904 HB ILE 119 HB ILE 119 7.510 3.952 3.952 905 1HG1 ILE 119 2HG1 ILE 119 4.891 5.318 5.318 906 2HG1 ILE 119 1HG1 ILE 119 5.547 5.314 5.314 907 1HG2 ILE 119 3HG2 ILE 119 5.599 3.625 3.625 908 2HG2 ILE 119 2HG2 ILE 119 7.135 4.492 4.492 909 3HG2 ILE 119 1HG2 ILE 119 7.116 2.767 2.767 910 1HD1 ILE 119 2HD1 ILE 119 7.183 6.330 6.330 911 2HD1 ILE 119 1HD1 ILE 119 6.276 7.368 7.368 912 3HD1 ILE 119 3HD1 ILE 119 7.626 6.434 6.434 913 H ASP 120 H ASP 120 8.074 2.042 2.042 914 HA ASP 120 HA ASP 120 8.462 -0.007 -0.007 915 1HB ASP 120 2HB ASP 120 10.204 1.258 1.258 916 2HB ASP 120 1HB ASP 120 9.844 0.004 0.004 917 H VAL 121 H VAL 121 7.681 -0.465 -0.465 918 HA VAL 121 HA VAL 121 7.491 -3.299 -3.299 919 HB VAL 121 HB VAL 121 6.350 -2.983 -2.983 920 1HG1 VAL 121 1HG1 VAL 121 8.732 -2.479 -2.479 921 2HG1 VAL 121 3HG1 VAL 121 8.437 -0.799 -0.799 922 3HG1 VAL 121 2HG1 VAL 121 7.879 -1.473 -1.473 923 1HG2 VAL 121 3HG2 VAL 121 5.761 -0.217 -0.217 924 2HG2 VAL 121 2HG2 VAL 121 4.622 -1.463 -1.463 925 3HG2 VAL 121 1HG2 VAL 121 5.562 -0.684 -0.684 926 H MET 122 H MET 122 5.068 -0.793 -0.793 927 HA MET 122 HA MET 122 2.868 -2.595 -2.595 928 1HB MET 122 2HB MET 122 3.401 0.279 0.279 929 2HB MET 122 1HB MET 122 1.924 -0.553 -0.553 930 1HG MET 122 2HG MET 122 3.002 -0.345 -0.345 931 2HG MET 122 1HG MET 122 1.865 0.797 0.797 932 1HE MET 122 2HE MET 122 0.414 0.699 0.699 933 2HE MET 122 1HE MET 122 -0.718 0.506 0.506 934 3HE MET 122 3HE MET 122 -0.878 -0.465 -0.465 935 H ARG 123 H ARG 123 5.186 -1.070 -1.070 936 HA ARG 123 HA ARG 123 4.247 -1.951 -1.951 937 1HB ARG 123 2HB ARG 123 6.410 -0.559 -0.559 938 2HB ARG 123 1HB ARG 123 7.183 -2.120 -2.120 939 1HG ARG 123 2HG ARG 123 6.688 -2.624 -2.624 940 2HG ARG 123 1HG ARG 123 5.945 -1.041 -1.041 941 1HD ARG 123 2HD ARG 123 8.330 -0.971 -0.971 942 2HD ARG 123 1HD ARG 123 8.070 0.055 0.055 943 HE ARG 123 HE ARG 123 9.111 -2.763 -2.763 944 1HH1 ARG 123 2HH1 ARG 123 9.289 0.587 0.587 945 2HH1 ARG 123 1HH1 ARG 123 10.539 0.290 0.290 946 1HH2 ARG 123 1HH2 ARG 123 10.808 -3.120 -3.120 947 2HH2 ARG 123 2HH2 ARG 123 11.334 -1.811 -1.811 948 H GLY 124 H GLY 124 6.221 -3.576 -3.576 949 1HA GLY 124 2HA GLY 124 6.281 -6.145 -6.145 950 2HA GLY 124 1HA GLY 124 6.634 -5.872 -5.872 951 H LEU 125 H LEU 125 4.239 -4.786 -4.786 952 HA LEU 125 HA LEU 125 2.585 -7.027 -7.027 953 1HB LEU 125 2HB LEU 125 2.643 -4.621 -4.621 954 2HB LEU 125 1HB LEU 125 1.615 -4.128 -4.128 955 HG LEU 125 HG LEU 125 0.079 -6.165 -6.165 956 1HD1 LEU 125 3HD1 LEU 125 1.796 -6.854 -6.854 957 2HD1 LEU 125 2HD1 LEU 125 1.667 -5.280 -5.280 958 3HD1 LEU 125 1HD1 LEU 125 0.299 -6.375 -6.375 959 1HD2 LEU 125 1HD2 LEU 125 -0.473 -3.686 -3.686 960 2HD2 LEU 125 3HD2 LEU 125 -1.137 -4.559 -4.559 961 3HD2 LEU 125 2HD2 LEU 125 0.284 -3.550 -3.550 962 H LEU 126 H LEU 126 1.761 -4.389 -4.389 963 HA LEU 126 HA LEU 126 -0.273 -5.707 -5.707 964 1HB LEU 126 2HB LEU 126 1.757 -3.654 -3.654 965 2HB LEU 126 1HB LEU 126 0.819 -4.336 -4.336 966 HG LEU 126 HG LEU 126 -1.199 -3.913 -3.913 967 1HD1 LEU 126 1HD1 LEU 126 0.784 -1.836 -1.836 968 2HD1 LEU 126 3HD1 LEU 126 -0.924 -1.943 -1.943 969 3HD1 LEU 126 2HD1 LEU 126 0.132 -3.129 -3.129 970 1HD2 LEU 126 2HD2 LEU 126 -1.136 -2.777 -2.777 971 2HD2 LEU 126 1HD2 LEU 126 -1.698 -1.871 -1.871 972 3HD2 LEU 126 3HD2 LEU 126 -0.093 -1.555 -1.555 973 H SER 127 H SER 127 3.033 -5.806 -5.806 974 HA SER 127 HA SER 127 2.779 -7.551 -7.551 975 1HB SER 127 2HB SER 127 4.963 -6.332 -6.332 976 2HB SER 127 1HB SER 127 5.185 -7.656 -7.656 977 HG SER 127 HG SER 127 5.872 -8.757 -8.757 978 H ASN 128 H ASN 128 2.867 -8.156 -8.156 979 HA ASN 128 HA ASN 128 3.035 -11.064 -11.064 980 1HB ASN 128 2HB ASN 128 2.355 -9.118 -9.118 981 2HB ASN 128 1HB ASN 128 1.990 -10.792 -10.792 982 1HD2 ASN 128 2HD2 ASN 128 5.697 -9.527 -9.527 983 2HD2 ASN 128 1HD2 ASN 128 4.367 -8.488 -8.488 984 H VAL 129 H VAL 129 0.381 -8.615 -8.615 985 HA VAL 129 HA VAL 129 -1.622 -10.660 -10.660 986 HB VAL 129 HB VAL 129 -1.556 -7.783 -7.783 987 1HG1 VAL 129 2HG1 VAL 129 -3.961 -9.691 -9.691 988 2HG1 VAL 129 1HG1 VAL 129 -4.118 -7.976 -7.976 989 3HG1 VAL 129 3HG1 VAL 129 -3.265 -8.965 -8.965 990 1HG2 VAL 129 3HG2 VAL 129 -3.095 -9.335 -9.335 991 2HG2 VAL 129 2HG2 VAL 129 -1.699 -8.298 -8.298 992 3HG2 VAL 129 1HG2 VAL 129 -3.233 -7.609 -7.609 993 H LEU 130 H LEU 130 -0.527 -8.762 -8.762 994 HA LEU 130 HA LEU 130 -1.805 -10.256 -10.256 995 1HB LEU 130 2HB LEU 130 0.657 -8.533 -8.533 996 2HB LEU 130 1HB LEU 130 0.316 -9.425 -9.425 997 HG LEU 130 HG LEU 130 -0.709 -6.981 -6.981 998 1HD1 LEU 130 1HD1 LEU 130 -2.295 -9.429 -9.429 999 2HD1 LEU 130 3HD1 LEU 130 -2.650 -7.775 -7.775 1000 3HD1 LEU 130 2HD1 LEU 130 -1.150 -8.533 -8.533 1001 1HD2 LEU 130 3HD2 LEU 130 -1.915 -7.656 -7.656 1002 2HD2 LEU 130 2HD2 LEU 130 -2.921 -6.953 -6.953 1003 3HD2 LEU 130 1HD2 LEU 130 -2.966 -8.674 -8.674 1004 H CYS 131 H CYS 131 0.879 -11.270 -11.270 1005 HA CYS 131 HA CYS 131 1.756 -13.326 -13.326 1006 1HB CYS 131 2HB CYS 131 3.404 -12.513 -12.513 1007 2HB CYS 131 1HB CYS 131 2.317 -12.955 -12.955 1008 H ARG 132 H ARG 132 -0.198 -12.960 -12.960 1009 HA ARG 132 HA ARG 132 -1.089 -15.714 -15.714 1010 1HB ARG 132 2HB ARG 132 -0.913 -14.292 -14.292 1011 2HB ARG 132 1HB ARG 132 -2.109 -13.184 -13.184 1012 1HG ARG 132 2HG ARG 132 -3.024 -14.629 -14.629 1013 2HG ARG 132 1HG ARG 132 -3.893 -14.816 -14.816 1014 1HD ARG 132 2HD ARG 132 -1.607 -16.672 -16.672 1015 2HD ARG 132 1HD ARG 132 -3.094 -16.987 -16.987 1016 HE ARG 132 HE ARG 132 -2.632 -17.028 -17.028 1017 1HH1 ARG 132 2HH1 ARG 132 -4.781 -17.407 -17.407 1018 2HH1 ARG 132 1HH1 ARG 132 -6.045 -18.159 -18.159 1019 1HH2 ARG 132 1HH2 ARG 132 -4.113 -18.060 -18.060 1020 2HH2 ARG 132 2HH2 ARG 132 -5.563 -18.661 -18.661 1021 H LEU 133 H LEU 133 -2.664 -12.693 -12.693 1022 HA LEU 133 HA LEU 133 -4.217 -14.190 -14.190 1023 1HB LEU 133 2HB LEU 133 -6.405 -13.951 -13.951 1024 2HB LEU 133 1HB LEU 133 -5.332 -14.506 -14.506 1025 HG LEU 133 HG LEU 133 -6.667 -13.079 -13.079 1026 1HD1 LEU 133 3HD1 LEU 133 -4.351 -12.830 -12.830 1027 2HD1 LEU 133 2HD1 LEU 133 -4.092 -11.567 -11.567 1028 3HD1 LEU 133 1HD1 LEU 133 -5.188 -11.310 -11.310 1029 1HD2 LEU 133 1HD2 LEU 133 -7.768 -11.796 -11.796 1030 2HD2 LEU 133 3HD2 LEU 133 -7.110 -10.763 -10.763 1031 3HD2 LEU 133 2HD2 LEU 133 -6.311 -10.866 -10.866 1032 H CYS 134 H CYS 134 -4.841 -12.748 -12.748 1033 HA CYS 134 HA CYS 134 -4.219 -9.911 -9.911 1034 1HB CYS 134 2HB CYS 134 -5.216 -11.555 -11.555 1035 2HB CYS 134 1HB CYS 134 -5.116 -9.832 -9.832 1036 H ASN 135 H ASN 135 -7.109 -11.256 -11.256 1037 HA ASN 135 HA ASN 135 -8.752 -9.480 -9.480 1038 1HB ASN 135 2HB ASN 135 -8.870 -9.761 -9.761 1039 2HB ASN 135 1HB ASN 135 -10.199 -10.781 -10.781 1040 1HD2 ASN 135 2HD2 ASN 135 -10.832 -6.935 -6.935 1041 2HD2 ASN 135 1HD2 ASN 135 -9.573 -7.628 -7.628 1042 H LYS 136 H LYS 136 -8.468 -12.759 -12.759 1043 HA LYS 136 HA LYS 136 -9.570 -13.999 -13.999 1044 1HB LYS 136 2HB LYS 136 -10.911 -14.097 -14.097 1045 2HB LYS 136 1HB LYS 136 -11.047 -15.444 -15.444 1046 1HG LYS 136 2HG LYS 136 -11.681 -13.109 -13.109 1047 2HG LYS 136 1HG LYS 136 -12.440 -12.826 -12.826 1048 1HD LYS 136 2HD LYS 136 -14.025 -13.985 -13.985 1049 2HD LYS 136 1HD LYS 136 -13.582 -15.035 -15.035 1050 1HE LYS 136 2HE LYS 136 -11.971 -16.270 -16.270 1051 2HE LYS 136 1HE LYS 136 -12.189 -15.160 -15.160 1052 1HZ LYS 136 2HZ LYS 136 -14.719 -16.204 -16.204 1053 2HZ LYS 136 1HZ LYS 136 -13.612 -17.476 -17.476 1054 3HZ LYS 136 3HZ LYS 136 -13.835 -16.484 -16.484 1055 H TYR 137 H TYR 137 -7.174 -13.955 -13.955 1056 HA TYR 137 HA TYR 137 -5.260 -15.181 -15.181 1057 1HB TYR 137 2HB TYR 137 -6.765 -17.716 -17.716 1058 2HB TYR 137 1HB TYR 137 -5.344 -17.404 -17.404 1059 HD1 TYR 137 HD2 TYR 137 -5.619 -16.215 -16.215 1060 HD2 TYR 137 HD1 TYR 137 -8.974 -17.474 -17.474 1061 HE1 TYR 137 HE2 TYR 137 -7.022 -16.025 -16.025 1062 HE2 TYR 137 HE1 TYR 137 -10.391 -17.328 -17.328 1063 HH TYR 137 HH TYR 137 -9.078 -16.886 -16.886 1064 H ARG 138 H ARG 138 -7.442 -16.565 -16.565 1065 HA ARG 138 HA ARG 138 -5.284 -16.600 -16.600 1066 1HB ARG 138 2HB ARG 138 -6.125 -18.828 -18.828 1067 2HB ARG 138 1HB ARG 138 -7.638 -18.530 -18.530 1068 1HG ARG 138 2HG ARG 138 -6.462 -18.560 -18.560 1069 2HG ARG 138 1HG ARG 138 -4.934 -18.853 -18.853 1070 1HD ARG 138 2HD ARG 138 -5.834 -20.934 -20.934 1071 2HD ARG 138 1HD ARG 138 -7.384 -20.713 -20.713 1072 HE ARG 138 HE ARG 138 -4.800 -21.373 -21.373 1073 1HH1 ARG 138 2HH1 ARG 138 -8.208 -20.976 -20.976 1074 2HH1 ARG 138 1HH1 ARG 138 -8.406 -21.838 -21.838 1075 1HH2 ARG 138 1HH2 ARG 138 -4.939 -22.472 -22.472 1076 2HH2 ARG 138 2HH2 ARG 138 -6.451 -22.676 -22.676 1077 H VAL 139 H VAL 139 -6.509 -14.393 -14.393 1078 HA VAL 139 HA VAL 139 -8.359 -14.356 -14.356 1079 HB VAL 139 HB VAL 139 -9.722 -14.026 -14.026 1080 1HG1 VAL 139 3HG1 VAL 139 -7.923 -13.428 -13.428 1081 2HG1 VAL 139 2HG1 VAL 139 -7.867 -11.798 -11.798 1082 3HG1 VAL 139 1HG1 VAL 139 -9.342 -12.389 -12.389 1083 1HG2 VAL 139 3HG2 VAL 139 -10.243 -12.491 -12.491 1084 2HG2 VAL 139 2HG2 VAL 139 -10.592 -11.702 -11.702 1085 3HG2 VAL 139 1HG2 VAL 139 -9.139 -11.291 -11.291 1086 H GLY 140 H GLY 140 -6.159 -12.169 -12.169 1087 1HA GLY 140 2HA GLY 140 -4.377 -11.404 -11.404 1088 2HA GLY 140 1HA GLY 140 -5.727 -10.810 -10.810 1089 H HIS 141 H HIS 141 -3.659 -10.322 -10.322 1090 HA HIS 141 HA HIS 141 -3.387 -8.595 -8.595 1091 1HB HIS 141 2HB HIS 141 -2.082 -8.348 -8.348 1092 2HB HIS 141 1HB HIS 141 -3.130 -6.947 -6.947 1093 HD1 HIS 141 HD1 HIS 141 -0.083 -6.954 -6.954 1094 HD2 HIS 141 HD2 HIS 141 -2.747 -5.919 -5.919 1095 HE1 HIS 141 HE1 HIS 141 1.124 -5.414 -5.414 1096 H VAL 142 H VAL 142 -5.108 -8.079 -8.079 1097 HA VAL 142 HA VAL 142 -7.524 -7.145 -7.145 1098 HB VAL 142 HB VAL 142 -7.055 -7.354 -7.354 1099 1HG1 VAL 142 1HG1 VAL 142 -4.345 -5.984 -5.984 1100 2HG1 VAL 142 3HG1 VAL 142 -4.955 -6.653 -6.653 1101 3HG1 VAL 142 2HG1 VAL 142 -4.615 -7.720 -7.720 1102 1HG2 VAL 142 1HG2 VAL 142 -6.364 -4.401 -4.401 1103 2HG2 VAL 142 3HG2 VAL 142 -7.969 -5.109 -5.109 1104 3HG2 VAL 142 2HG2 VAL 142 -6.779 -5.294 -5.294 1105 H ASP 143 H ASP 143 -4.990 -4.879 -4.879 1106 HA ASP 143 HA ASP 143 -5.092 -2.854 -2.854 1107 1HB ASP 143 2HB ASP 143 -7.167 -3.808 -3.808 1108 2HB ASP 143 1HB ASP 143 -8.145 -3.032 -3.032 1109 H VAL 144 H VAL 144 -5.120 -0.827 -0.827 1110 HA VAL 144 HA VAL 144 -6.331 0.046 0.046 1111 HB VAL 144 HB VAL 144 -3.468 0.646 0.646 1112 1HG1 VAL 144 2HG1 VAL 144 -4.554 2.389 2.389 1113 2HG1 VAL 144 1HG1 VAL 144 -4.941 1.173 1.173 1114 3HG1 VAL 144 3HG1 VAL 144 -3.268 1.587 1.587 1115 1HG2 VAL 144 3HG2 VAL 144 -4.519 -1.296 -1.296 1116 2HG2 VAL 144 2HG2 VAL 144 -3.742 -1.761 -1.761 1117 3HG2 VAL 144 1HG2 VAL 144 -2.826 -0.919 -0.919 1118 HA PRO 145 HA PRO 145 -7.528 3.421 3.421 1119 1HB PRO 145 2HB PRO 145 -9.449 4.214 4.214 1120 2HB PRO 145 1HB PRO 145 -9.746 3.270 3.270 1121 1HG PRO 145 2HG PRO 145 -9.098 2.269 2.269 1122 2HG PRO 145 1HG PRO 145 -10.395 1.705 1.705 1123 1HD PRO 145 2HD PRO 145 -8.191 0.200 0.200 1124 2HD PRO 145 1HD PRO 145 -8.755 0.738 0.738 1125 HA PRO 146 HA PRO 146 -4.708 5.862 5.862 1126 1HB PRO 146 2HB PRO 146 -3.535 7.401 7.401 1127 2HB PRO 146 1HB PRO 146 -3.150 5.675 5.675 1128 1HG PRO 146 2HG PRO 146 -5.249 6.977 6.977 1129 2HG PRO 146 1HG PRO 146 -3.919 5.914 5.914 1130 1HD PRO 146 2HD PRO 146 -6.374 4.851 4.851 1131 2HD PRO 146 1HD PRO 146 -4.938 3.969 3.969 1132 H VAL 147 H VAL 147 -6.933 6.561 6.561 1133 HA VAL 147 HA VAL 147 -7.553 9.370 9.370 1134 HB VAL 147 HB VAL 147 -9.377 7.347 7.347 1135 1HG1 VAL 147 2HG1 VAL 147 -10.002 10.009 10.009 1136 2HG1 VAL 147 1HG1 VAL 147 -11.191 8.893 8.893 1137 3HG1 VAL 147 3HG1 VAL 147 -10.065 9.692 9.692 1138 1HG2 VAL 147 1HG2 VAL 147 -9.175 8.120 8.120 1139 2HG2 VAL 147 3HG2 VAL 147 -8.733 6.564 6.564 1140 3HG2 VAL 147 2HG2 VAL 147 -10.409 7.079 7.079 1141 HA PRO 148 HA PRO 148 -6.586 10.166 10.166 1142 1HB PRO 148 2HB PRO 148 -4.684 11.990 11.990 1143 2HB PRO 148 1HB PRO 148 -4.309 10.318 10.318 1144 1HG PRO 148 2HG PRO 148 -5.133 12.660 12.660 1145 2HG PRO 148 1HG PRO 148 -3.812 11.520 11.520 1146 1HD PRO 148 2HD PRO 148 -6.447 11.253 11.253 1147 2HD PRO 148 1HD PRO 148 -5.272 9.923 9.923 1148 H ASP 149 H ASP 149 -7.773 11.727 11.727 1149 HA ASP 149 HA ASP 149 -9.014 13.969 13.969 1150 1HB ASP 149 2HB ASP 149 -10.675 12.199 12.199 1151 2HB ASP 149 1HB ASP 149 -10.296 12.308 12.308 1152 H HIS 150 H HIS 150 -7.249 15.170 15.170 1153 HA HIS 150 HA HIS 150 -7.651 16.339 16.339 1154 1HB HIS 150 2HB HIS 150 -5.093 16.758 16.758 1155 2HB HIS 150 1HB HIS 150 -5.545 15.059 15.059 1156 HD1 HIS 150 HD1 HIS 150 -5.177 17.364 17.364 1157 HD2 HIS 150 HD2 HIS 150 -4.053 13.633 13.633 1158 HE1 HIS 150 HE1 HIS 150 -3.906 16.369 16.369 1159 H SER 151 H SER 151 -8.304 17.105 17.105 1160 HA SER 151 HA SER 151 -7.058 19.792 19.792 1161 1HB SER 151 2HB SER 151 -8.602 19.780 19.780 1162 2HB SER 151 1HB SER 151 -7.230 18.653 18.653 1163 HG SER 151 HG SER 151 -9.934 18.158 18.158 1164 H ASP 152 H ASP 152 -8.456 19.347 19.347 1165 HA ASP 152 HA ASP 152 -11.094 20.704 20.704 1166 1HB ASP 152 2HB ASP 152 -11.649 19.773 19.773 1167 2HB ASP 152 1HB ASP 152 -11.146 18.470 18.470 1168 H LYS 153 H LYS 153 -8.095 20.737 20.737 1169 HA LYS 153 HA LYS 153 -8.613 23.607 23.607 1170 1HB LYS 153 2HB LYS 153 -7.498 21.345 21.345 1171 2HB LYS 153 1HB LYS 153 -7.463 23.006 23.006 1172 1HG LYS 153 2HG LYS 153 -9.994 21.457 21.457 1173 2HG LYS 153 1HG LYS 153 -9.424 21.526 21.526 1174 1HD LYS 153 2HD LYS 153 -10.086 24.092 24.092 1175 2HD LYS 153 1HD LYS 153 -11.340 23.107 23.107 1176 1HE LYS 153 2HE LYS 153 -10.817 24.823 24.823 1177 2HE LYS 153 1HE LYS 153 -10.284 23.279 23.279 1178 1HZ LYS 153 1HZ LYS 153 -8.148 24.382 24.382 1179 2HZ LYS 153 3HZ LYS 153 -8.747 25.597 25.597 1180 3HZ LYS 153 2HZ LYS 153 -8.201 24.148 24.148 1181 H GLU 154 H GLU 154 -6.750 24.950 24.950 1182 HA GLU 154 HA GLU 154 -4.704 24.301 24.301 1183 1HB GLU 154 2HB GLU 154 -5.634 26.528 26.528 1184 2HB GLU 154 1HB GLU 154 -5.152 26.721 26.721 1185 1HG GLU 154 2HG GLU 154 -3.633 27.988 27.988 1186 2HG GLU 154 1HG GLU 154 -2.671 26.667 26.667 1187 H VAL 155 H VAL 155 -3.446 26.038 26.038 1188 HA VAL 155 HA VAL 155 -0.972 24.853 24.853 1189 HB VAL 155 HB VAL 155 -2.728 25.840 25.840 1190 1HG1 VAL 155 1HG1 VAL 155 -0.645 24.702 24.702 1191 2HG1 VAL 155 3HG1 VAL 155 0.300 25.771 25.771 1192 3HG1 VAL 155 2HG1 VAL 155 -0.592 26.419 26.419 1193 1HG2 VAL 155 1HG2 VAL 155 -0.861 27.421 27.421 1194 2HG2 VAL 155 3HG2 VAL 155 -2.606 27.560 27.560 1195 3HG2 VAL 155 2HG2 VAL 155 -1.698 28.067 28.067 1196 H PHE 156 H PHE 156 -3.899 24.045 24.045 1197 HA PHE 156 HA PHE 156 -3.307 21.820 21.820 1198 1HB PHE 156 2HB PHE 156 -5.736 22.016 22.016 1199 2HB PHE 156 1HB PHE 156 -5.684 21.269 21.269 1200 HD1 PHE 156 HD2 PHE 156 -5.718 24.494 24.494 1201 HD2 PHE 156 HD1 PHE 156 -5.822 22.645 22.645 1202 HE1 PHE 156 HE2 PHE 156 -6.359 26.626 26.626 1203 HE2 PHE 156 HE1 PHE 156 -6.472 24.786 24.786 1204 HZ PHE 156 HZ PHE 156 -6.742 26.774 26.774 1205 H GLN 157 H GLN 157 -4.241 21.726 21.726 1206 HA GLN 157 HA GLN 157 -4.031 18.903 18.903 1207 1HB GLN 157 2HB GLN 157 -4.941 20.268 20.268 1208 2HB GLN 157 1HB GLN 157 -3.401 21.079 21.079 1209 1HG GLN 157 2HG GLN 157 -3.521 18.051 18.051 1210 2HG GLN 157 1HG GLN 157 -4.189 19.007 19.007 1211 1HE2 GLN 157 2HE2 GLN 157 -0.888 18.477 18.477 1212 2HE2 GLN 157 1HE2 GLN 157 -2.432 17.749 17.749 1213 H LYS 158 H LYS 158 -1.764 21.433 21.433 1214 HA LYS 158 HA LYS 158 0.431 19.854 19.854 1215 1HB LYS 158 2HB LYS 158 -0.051 22.648 22.648 1216 2HB LYS 158 1HB LYS 158 1.513 22.084 22.084 1217 1HG LYS 158 2HG LYS 158 0.575 21.820 21.820 1218 2HG LYS 158 1HG LYS 158 1.387 23.269 23.269 1219 1HD LYS 158 2HD LYS 158 3.376 22.013 22.013 1220 2HD LYS 158 1HD LYS 158 2.591 20.471 20.471 1221 1HE LYS 158 2HE LYS 158 2.454 20.955 20.955 1222 2HE LYS 158 1HE LYS 158 3.215 22.522 22.522 1223 1HZ LYS 158 2HZ LYS 158 4.772 20.516 20.516 1224 2HZ LYS 158 1HZ LYS 158 4.466 19.951 19.951 1225 3HZ LYS 158 3HZ LYS 158 5.245 21.470 21.470 1226 H LYS 159 H LYS 159 -0.367 20.848 20.848 1227 HA LYS 159 HA LYS 159 1.795 19.033 19.033 1228 1HB LYS 159 2HB LYS 159 0.046 21.105 21.105 1229 2HB LYS 159 1HB LYS 159 1.158 20.045 20.045 1230 1HG LYS 159 2HG LYS 159 2.994 20.806 20.806 1231 2HG LYS 159 1HG LYS 159 1.853 22.003 22.003 1232 1HD LYS 159 2HD LYS 159 1.651 22.989 22.989 1233 2HD LYS 159 1HD LYS 159 2.688 21.725 21.725 1234 1HE LYS 159 2HE LYS 159 4.567 22.514 22.514 1235 2HE LYS 159 1HE LYS 159 3.540 23.836 23.836 1236 1HZ LYS 159 3HZ LYS 159 3.375 23.686 23.686 1237 2HZ LYS 159 2HZ LYS 159 4.991 23.683 23.683 1238 3HZ LYS 159 1HZ LYS 159 4.023 24.962 24.962 1239 H LYS 160 H LYS 160 -1.642 19.368 19.368 1240 HA LYS 160 HA LYS 160 -1.952 16.998 16.998 1241 1HB LYS 160 2HB LYS 160 -4.282 17.559 17.559 1242 2HB LYS 160 1HB LYS 160 -3.863 19.066 19.066 1243 1HG LYS 160 2HG LYS 160 -4.340 17.948 17.948 1244 2HG LYS 160 1HG LYS 160 -4.796 16.505 16.505 1245 1HD LYS 160 2HD LYS 160 -6.623 18.023 18.023 1246 2HD LYS 160 1HD LYS 160 -6.342 19.064 19.064 1247 1HE LYS 160 2HE LYS 160 -6.727 17.199 17.199 1248 2HE LYS 160 1HE LYS 160 -6.857 16.046 16.046 1249 1HZ LYS 160 1HZ LYS 160 -8.823 18.132 18.132 1250 2HZ LYS 160 3HZ LYS 160 -8.856 17.441 17.441 1251 3HZ LYS 160 2HZ LYS 160 -9.078 16.434 16.434 1252 H LEU 161 H LEU 161 -1.383 17.489 17.489 1253 HA LEU 161 HA LEU 161 -2.672 15.746 15.746 1254 1HB LEU 161 2HB LEU 161 0.055 16.659 16.659 1255 2HB LEU 161 1HB LEU 161 0.107 14.936 14.936 1256 HG LEU 161 HG LEU 161 -1.552 16.859 16.859 1257 1HD1 LEU 161 2HD1 LEU 161 0.887 17.127 17.127 1258 2HD1 LEU 161 1HD1 LEU 161 1.042 15.403 15.403 1259 3HD1 LEU 161 3HD1 LEU 161 0.111 16.416 16.416 1260 1HD2 LEU 161 3HD2 LEU 161 -1.023 13.867 13.867 1261 2HD2 LEU 161 2HD2 LEU 161 -2.569 14.609 14.609 1262 3HD2 LEU 161 1HD2 LEU 161 -1.800 14.836 14.836 1263 H GLY 162 H GLY 162 -0.739 14.564 14.564 1264 1HA GLY 162 2HA GLY 162 -1.438 11.745 11.745 1265 2HA GLY 162 1HA GLY 162 -0.171 12.239 12.239 1266 H CYS 163 H CYS 163 -1.600 14.160 14.160 1267 HA CYS 163 HA CYS 163 -2.655 12.922 12.922 1268 1HB CYS 163 2HB CYS 163 -2.489 15.533 15.533 1269 2HB CYS 163 1HB CYS 163 -4.223 15.360 15.360 1270 H GLN 164 H GLN 164 -4.604 13.982 13.982 1271 HA GLN 164 HA GLN 164 -7.098 12.946 12.946 1272 1HB GLN 164 2HB GLN 164 -6.245 14.021 14.021 1273 2HB GLN 164 1HB GLN 164 -6.781 12.398 12.398 1274 1HG GLN 164 2HG GLN 164 -8.829 12.927 12.927 1275 2HG GLN 164 1HG GLN 164 -8.385 14.583 14.583 1276 1HE2 GLN 164 2HE2 GLN 164 -9.164 13.549 13.549 1277 2HE2 GLN 164 1HE2 GLN 164 -7.612 13.412 13.412 1278 H LEU 165 H LEU 165 -4.662 11.442 11.442 1279 HA LEU 165 HA LEU 165 -5.841 8.866 8.866 1280 1HB LEU 165 2HB LEU 165 -2.851 9.678 9.678 1281 2HB LEU 165 1HB LEU 165 -3.427 8.083 8.083 1282 HG LEU 165 HG LEU 165 -2.960 9.394 9.394 1283 1HD1 LEU 165 2HD1 LEU 165 -4.500 7.392 7.392 1284 2HD1 LEU 165 1HD1 LEU 165 -5.843 8.480 8.480 1285 3HD1 LEU 165 3HD1 LEU 165 -4.979 8.573 8.573 1286 1HD2 LEU 165 3HD2 LEU 165 -3.947 11.585 11.585 1287 2HD2 LEU 165 2HD2 LEU 165 -4.633 11.027 11.027 1288 3HD2 LEU 165 1HD2 LEU 165 -5.543 10.832 10.832 1289 H LEU 166 H LEU 166 -3.513 10.252 10.252 1290 HA LEU 166 HA LEU 166 -3.493 7.858 7.858 1291 1HB LEU 166 2HB LEU 166 -3.005 10.745 10.745 1292 2HB LEU 166 1HB LEU 166 -3.211 9.642 9.642 1293 HG LEU 166 HG LEU 166 -0.763 9.882 9.882 1294 1HD1 LEU 166 3HD1 LEU 166 -2.116 7.126 7.126 1295 2HD1 LEU 166 2HD1 LEU 166 -0.425 7.321 7.321 1296 3HD1 LEU 166 1HD1 LEU 166 -1.543 7.979 7.979 1297 1HD2 LEU 166 1HD2 LEU 166 -1.166 9.824 9.824 1298 2HD2 LEU 166 3HD2 LEU 166 -0.080 8.550 8.550 1299 3HD2 LEU 166 2HD2 LEU 166 -1.735 8.160 8.160 1300 H GLY 167 H GLY 167 -5.772 10.582 10.582 1301 1HA GLY 167 2HA GLY 167 -7.262 9.676 9.676 1302 2HA GLY 167 1HA GLY 167 -8.026 10.421 10.421 1303 H THR 168 H THR 168 -7.696 8.585 8.585 1304 HA THR 168 HA THR 168 -9.794 6.655 6.655 1305 HB THR 168 HB THR 168 -9.425 5.945 5.945 1306 HG1 THR 168 HG1 THR 168 -7.899 7.140 7.140 1307 1HG2 THR 168 1HG2 THR 168 -11.040 7.657 7.657 1308 2HG2 THR 168 3HG2 THR 168 -9.819 8.885 8.885 1309 3HG2 THR 168 2HG2 THR 168 -10.471 7.943 7.943 1310 H TYR 169 H TYR 169 -6.660 6.548 6.548 1311 HA TYR 169 HA TYR 169 -5.991 3.896 3.896 1312 1HB TYR 169 2HB TYR 169 -4.507 5.648 5.648 1313 2HB TYR 169 1HB TYR 169 -4.376 6.201 6.201 1314 HD1 TYR 169 HD2 TYR 169 -3.516 3.420 3.420 1315 HD2 TYR 169 HD1 TYR 169 -2.757 5.286 5.286 1316 HE1 TYR 169 HE2 TYR 169 -1.467 2.092 2.092 1317 HE2 TYR 169 HE1 TYR 169 -0.705 3.918 3.918 1318 HH TYR 169 HH TYR 169 0.798 3.153 3.153 1319 H LYS 170 H LYS 170 -5.780 5.937 5.937 1320 HA LYS 170 HA LYS 170 -4.994 3.764 3.764 1321 1HB LYS 170 2HB LYS 170 -4.804 5.436 5.436 1322 2HB LYS 170 1HB LYS 170 -4.511 6.264 6.264 1323 1HG LYS 170 2HG LYS 170 -5.836 7.758 7.758 1324 2HG LYS 170 1HG LYS 170 -6.829 7.161 7.161 1325 1HD LYS 170 2HD LYS 170 -8.110 5.771 5.771 1326 2HD LYS 170 1HD LYS 170 -6.906 5.756 5.756 1327 1HE LYS 170 2HE LYS 170 -7.548 8.013 8.013 1328 2HE LYS 170 1HE LYS 170 -8.455 8.267 8.267 1329 1HZ LYS 170 1HZ LYS 170 -9.400 5.930 5.930 1330 2HZ LYS 170 3HZ LYS 170 -9.387 7.154 7.154 1331 3HZ LYS 170 2HZ LYS 170 -10.218 7.406 7.406 1332 H GLN 171 H GLN 171 -7.866 4.558 4.558 1333 HA GLN 171 HA GLN 171 -9.459 3.293 3.293 1334 1HB GLN 171 2HB GLN 171 -9.980 5.631 5.631 1335 2HB GLN 171 1HB GLN 171 -10.205 5.104 5.104 1336 1HG GLN 171 2HG GLN 171 -12.269 4.055 4.055 1337 2HG GLN 171 1HG GLN 171 -12.003 4.003 4.003 1338 1HE2 GLN 171 2HE2 GLN 171 -12.398 7.901 7.901 1339 2HE2 GLN 171 1HE2 GLN 171 -10.977 7.074 7.074 1340 H VAL 172 H VAL 172 -8.755 3.109 3.109 1341 HA VAL 172 HA VAL 172 -10.398 0.703 0.703 1342 HB VAL 172 HB VAL 172 -9.866 1.212 1.212 1343 1HG1 VAL 172 3HG1 VAL 172 -10.250 3.775 3.775 1344 2HG1 VAL 172 2HG1 VAL 172 -10.548 3.669 3.669 1345 3HG1 VAL 172 1HG1 VAL 172 -11.514 2.727 2.727 1346 1HG2 VAL 172 3HG2 VAL 172 -7.747 3.067 3.067 1347 2HG2 VAL 172 2HG2 VAL 172 -7.439 1.557 1.557 1348 3HG2 VAL 172 1HG2 VAL 172 -8.174 2.893 2.893 1349 H ILE 173 H ILE 173 -6.881 1.623 1.623 1350 HA ILE 173 HA ILE 173 -5.728 -0.885 -0.885 1351 HB ILE 173 HB ILE 173 -4.911 1.386 1.386 1352 1HG1 ILE 173 2HG1 ILE 173 -4.606 1.524 1.524 1353 2HG1 ILE 173 1HG1 ILE 173 -3.226 1.902 1.902 1354 1HG2 ILE 173 1HG2 ILE 173 -3.374 -1.105 -1.105 1355 2HG2 ILE 173 3HG2 ILE 173 -2.722 0.478 0.478 1356 3HG2 ILE 173 2HG2 ILE 173 -4.055 -0.185 -0.185 1357 1HD1 ILE 173 1HD1 ILE 173 -3.667 -0.845 -0.845 1358 2HD1 ILE 173 3HD1 ILE 173 -2.642 0.401 0.401 1359 3HD1 ILE 173 2HD1 ILE 173 -2.249 -0.336 -0.336 1360 H SER 174 H SER 174 -6.818 0.472 0.472 1361 HA SER 174 HA SER 174 -6.357 -1.622 -1.622 1362 1HB SER 174 2HB SER 174 -8.615 -0.446 -0.446 1363 2HB SER 174 1HB SER 174 -7.021 0.325 0.325 1364 HG SER 174 HG SER 174 -9.184 0.794 0.794 1365 H VAL 175 H VAL 175 -8.425 -1.626 -1.626 1366 HA VAL 175 HA VAL 175 -10.125 -3.849 -3.849 1367 HB VAL 175 HB VAL 175 -10.498 -1.902 -1.902 1368 1HG1 VAL 175 3HG1 VAL 175 -12.185 -4.314 -4.314 1369 2HG1 VAL 175 2HG1 VAL 175 -12.629 -3.099 -3.099 1370 3HG1 VAL 175 1HG1 VAL 175 -11.239 -4.123 -4.123 1371 1HG2 VAL 175 1HG2 VAL 175 -10.996 -1.062 -1.062 1372 2HG2 VAL 175 3HG2 VAL 175 -12.453 -1.230 -1.230 1373 3HG2 VAL 175 2HG2 VAL 175 -12.077 -2.424 -2.424 1374 H VAL 176 H VAL 176 -7.756 -2.879 -2.879 1375 HA VAL 176 HA VAL 176 -8.310 -5.352 -5.352 1376 HB VAL 176 HB VAL 176 -6.573 -4.874 -4.874 1377 1HG1 VAL 176 2HG1 VAL 176 -8.805 -3.790 -3.790 1378 2HG1 VAL 176 1HG1 VAL 176 -8.278 -2.443 -2.443 1379 3HG1 VAL 176 3HG1 VAL 176 -7.584 -2.708 -2.708 1380 1HG2 VAL 176 2HG2 VAL 176 -6.141 -2.609 -2.609 1381 2HG2 VAL 176 1HG2 VAL 176 -4.902 -3.787 -3.787 1382 3HG2 VAL 176 3HG2 VAL 176 -5.391 -2.611 -2.611 1383 H VAL 177 H VAL 177 -6.071 -4.003 -4.003 1384 HA VAL 177 HA VAL 177 -4.048 -6.031 -6.031 1385 HB VAL 177 HB VAL 177 -4.165 -3.496 -3.496 1386 1HG1 VAL 177 3HG1 VAL 177 -6.072 -3.614 -3.614 1387 2HG1 VAL 177 2HG1 VAL 177 -5.246 -4.723 -4.723 1388 3HG1 VAL 177 1HG1 VAL 177 -4.658 -3.082 -3.082 1389 1HG2 VAL 177 2HG2 VAL 177 -2.856 -5.568 -5.568 1390 2HG2 VAL 177 1HG2 VAL 177 -2.109 -4.866 -4.866 1391 3HG2 VAL 177 3HG2 VAL 177 -2.453 -3.873 -3.873 1392 H GLN 178 H GLN 178 -7.250 -5.585 -5.585 1393 HA GLN 178 HA GLN 178 -7.249 -7.991 -7.991 1394 1HB GLN 178 2HB GLN 178 -7.924 -5.679 -5.679 1395 2HB GLN 178 1HB GLN 178 -9.316 -5.790 -5.790 1396 1HG GLN 178 2HG GLN 178 -10.223 -7.692 -7.692 1397 2HG GLN 178 1HG GLN 178 -8.700 -7.973 -7.973 1398 1HE2 GLN 178 2HE2 GLN 178 -11.268 -5.317 -5.317 1399 2HE2 GLN 178 1HE2 GLN 178 -11.680 -6.210 -6.210 1400 H ALA 179 H ALA 179 -7.321 -7.702 -7.702 1401 HA ALA 179 HA ALA 179 -9.937 -9.013 -9.013 1402 1HB ALA 179 2HB ALA 179 -9.397 -6.990 -6.990 1403 2HB ALA 179 1HB ALA 179 -7.888 -7.742 -7.742 1404 3HB ALA 179 3HB ALA 179 -9.423 -8.430 -8.430 1405 H PHE 180 H PHE 180 -6.469 -9.165 -9.165 1406 HA PHE 180 HA PHE 180 -6.681 -12.074 -12.074 1407 1HB PHE 180 2HB PHE 180 -4.588 -11.600 -11.600 1408 2HB PHE 180 1HB PHE 180 -6.142 -11.000 -11.000 1409 HD1 PHE 180 HD1 PHE 180 -3.137 -9.706 -9.706 1410 HD2 PHE 180 HD2 PHE 180 -6.352 -8.871 -8.871 1411 HE1 PHE 180 HE1 PHE 180 -2.384 -7.376 -7.376 1412 HE2 PHE 180 HE2 PHE 180 -5.619 -6.586 -6.586 1413 HZ PHE 180 HZ PHE 180 -3.565 -5.855 -5.855 Start of MODEL 8 1 1H SER 1 2H SER 1 -6.300 8.026 8.026 2 2H SER 1 1H SER 1 -7.465 8.194 8.194 3 3H SER 1 3H SER 1 -7.936 7.663 7.663 4 HA SER 1 HA SER 1 -7.571 5.560 5.560 5 1HB SER 1 2HB SER 1 -6.725 5.468 5.468 6 2HB SER 1 1HB SER 1 -8.368 6.014 6.014 7 HG SER 1 HG SER 1 -6.358 7.436 7.436 8 HA PRO 2 HA PRO 2 -3.233 7.012 7.012 9 1HB PRO 2 2HB PRO 2 -2.732 5.023 5.023 10 2HB PRO 2 1HB PRO 2 -3.409 6.613 6.613 11 1HG PRO 2 2HG PRO 2 -4.931 3.996 3.996 12 2HG PRO 2 1HG PRO 2 -5.195 5.198 5.198 13 1HD PRO 2 2HD PRO 2 -6.776 5.283 5.283 14 2HD PRO 2 1HD PRO 2 -6.073 6.823 6.823 15 H LEU 3 H LEU 3 -3.883 3.658 3.658 16 HA LEU 3 HA LEU 3 -3.278 2.007 2.007 17 1HB LEU 3 2HB LEU 3 -2.005 3.861 3.861 18 2HB LEU 3 1HB LEU 3 -0.634 3.520 3.520 19 HG LEU 3 HG LEU 3 -0.657 1.127 1.127 20 1HD1 LEU 3 1HD1 LEU 3 -2.771 2.112 2.112 21 2HD1 LEU 3 3HD1 LEU 3 -2.002 0.532 0.532 22 3HD1 LEU 3 2HD1 LEU 3 -3.068 0.958 0.958 23 1HD2 LEU 3 2HD2 LEU 3 -0.476 3.204 3.204 24 2HD2 LEU 3 1HD2 LEU 3 0.810 2.792 2.792 25 3HD2 LEU 3 3HD2 LEU 3 0.247 1.606 1.606 26 HA PRO 4 HA PRO 4 -0.947 1.209 1.209 27 1HB PRO 4 2HB PRO 4 -2.688 -0.388 -0.388 28 2HB PRO 4 1HB PRO 4 -3.018 1.340 1.340 29 1HG PRO 4 2HG PRO 4 -4.031 -0.908 -0.908 30 2HG PRO 4 1HG PRO 4 -5.012 0.276 0.276 31 1HD PRO 4 2HD PRO 4 -4.269 0.700 0.700 32 2HD PRO 4 1HD PRO 4 -4.338 2.060 2.060 33 H ILE 5 H ILE 5 -0.368 -1.042 -1.042 34 HA ILE 5 HA ILE 5 0.013 -2.954 -2.954 35 HB ILE 5 HB ILE 5 2.201 -3.544 -3.544 36 1HG1 ILE 5 2HG1 ILE 5 1.769 -0.913 -0.913 37 2HG1 ILE 5 1HG1 ILE 5 1.436 -2.466 -2.466 38 1HG2 ILE 5 3HG2 ILE 5 2.108 -2.047 -2.047 39 2HG2 ILE 5 2HG2 ILE 5 1.831 -0.659 -0.659 40 3HG2 ILE 5 1HG2 ILE 5 3.367 -1.510 -1.510 41 1HD1 ILE 5 2HD1 ILE 5 3.790 -3.163 -3.163 42 2HD1 ILE 5 1HD1 ILE 5 4.128 -1.599 -1.599 43 3HD1 ILE 5 3HD1 ILE 5 3.705 -1.701 -1.701 44 H THR 6 H THR 6 -0.537 -4.937 -4.937 45 HA THR 6 HA THR 6 -1.088 -6.192 -6.192 46 HB THR 6 HB THR 6 -2.820 -6.281 -6.281 47 HG1 THR 6 HG1 THR 6 -3.330 -4.457 -4.457 48 1HG2 THR 6 2HG2 THR 6 -3.020 -8.365 -8.365 49 2HG2 THR 6 1HG2 THR 6 -3.469 -7.249 -7.249 50 3HG2 THR 6 3HG2 THR 6 -4.483 -7.412 -7.412 51 HA PRO 7 HA PRO 7 1.566 -8.995 -8.995 52 1HB PRO 7 2HB PRO 7 1.927 -11.006 -11.006 53 2HB PRO 7 1HB PRO 7 2.613 -9.406 -9.406 54 1HG PRO 7 2HG PRO 7 0.064 -10.593 -10.593 55 2HG PRO 7 1HG PRO 7 1.318 -9.629 -9.629 56 1HD PRO 7 2HD PRO 7 -1.070 -8.490 -8.490 57 2HD PRO 7 1HD PRO 7 0.443 -7.602 -7.602 58 H VAL 8 H VAL 8 -0.956 -10.500 -10.500 59 HA VAL 8 HA VAL 8 -2.136 -11.764 -11.764 60 HB VAL 8 HB VAL 8 -0.651 -13.513 -13.513 61 1HG1 VAL 8 1HG1 VAL 8 -0.069 -12.669 -12.669 62 2HG1 VAL 8 3HG1 VAL 8 -1.631 -13.213 -13.213 63 3HG1 VAL 8 2HG1 VAL 8 -0.481 -14.365 -14.365 64 1HG2 VAL 8 3HG2 VAL 8 -3.429 -14.139 -14.139 65 2HG2 VAL 8 2HG2 VAL 8 -2.859 -14.372 -14.372 66 3HG2 VAL 8 1HG2 VAL 8 -2.185 -15.332 -15.332 67 H ASN 9 H ASN 9 -2.395 -11.649 -11.649 68 HA ASN 9 HA ASN 9 -5.247 -10.755 -10.755 69 1HB ASN 9 2HB ASN 9 -3.977 -12.716 -12.716 70 2HB ASN 9 1HB ASN 9 -5.578 -12.038 -12.038 71 1HD2 ASN 9 2HD2 ASN 9 -5.901 -15.228 -15.228 72 2HD2 ASN 9 1HD2 ASN 9 -5.361 -14.831 -14.831 73 H ALA 10 H ALA 10 -2.938 -10.961 -10.961 74 HA ALA 10 HA ALA 10 -3.149 -7.986 -7.986 75 1HB ALA 10 3HB ALA 10 -3.420 -10.037 -10.037 76 2HB ALA 10 2HB ALA 10 -3.272 -8.297 -8.297 77 3HB ALA 10 1HB ALA 10 -4.685 -8.981 -8.981 78 H THR 11 H THR 11 -1.665 -10.335 -10.335 79 HA THR 11 HA THR 11 1.043 -9.535 -9.535 80 HB THR 11 HB THR 11 0.581 -10.157 -10.157 81 HG1 THR 11 HG1 THR 11 0.338 -7.559 -7.559 82 1HG2 THR 11 3HG2 THR 11 2.311 -8.102 -8.102 83 2HG2 THR 11 2HG2 THR 11 2.371 -8.473 -8.473 84 3HG2 THR 11 1HG2 THR 11 2.900 -9.664 -9.664 85 H CYS 12 H CYS 12 -1.043 -12.024 -12.024 86 HA CYS 12 HA CYS 12 -0.126 -14.265 -14.265 87 1HB CYS 12 2HB CYS 12 -1.154 -14.003 -14.003 88 2HB CYS 12 1HB CYS 12 -0.909 -15.539 -15.539 89 H ALA 13 H ALA 13 1.789 -12.735 -12.735 90 HA ALA 13 HA ALA 13 3.484 -15.143 -15.143 91 1HB ALA 13 3HB ALA 13 3.771 -12.270 -12.270 92 2HB ALA 13 2HB ALA 13 4.793 -13.629 -13.629 93 3HB ALA 13 1HB ALA 13 3.095 -13.615 -13.615 94 H ILE 14 H ILE 14 3.689 -11.847 -11.847 95 HA ILE 14 HA ILE 14 6.129 -12.741 -12.741 96 HB ILE 14 HB ILE 14 5.110 -9.876 -9.876 97 1HG1 ILE 14 2HG1 ILE 14 6.900 -9.714 -9.714 98 2HG1 ILE 14 1HG1 ILE 14 7.862 -10.946 -10.946 99 1HG2 ILE 14 2HG2 ILE 14 7.636 -10.645 -10.645 100 2HG2 ILE 14 1HG2 ILE 14 7.214 -9.027 -9.027 101 3HG2 ILE 14 3HG2 ILE 14 6.256 -9.826 -9.826 102 1HD1 ILE 14 2HD1 ILE 14 5.277 -11.473 -11.473 103 2HD1 ILE 14 1HD1 ILE 14 6.729 -11.987 -11.987 104 3HD1 ILE 14 3HD1 ILE 14 6.397 -12.645 -12.645 105 H ARG 15 H ARG 15 3.529 -13.313 -13.313 106 HA ARG 15 HA ARG 15 2.624 -12.397 -12.397 107 1HB ARG 15 2HB ARG 15 0.800 -12.314 -12.314 108 2HB ARG 15 1HB ARG 15 1.471 -13.668 -13.668 109 1HG ARG 15 2HG ARG 15 0.301 -14.110 -14.110 110 2HG ARG 15 1HG ARG 15 -0.797 -13.870 -13.870 111 1HD ARG 15 2HD ARG 15 -0.523 -16.127 -16.127 112 2HD ARG 15 1HD ARG 15 1.145 -15.792 -15.792 113 HE ARG 15 HE ARG 15 1.165 -15.837 -15.837 114 1HH1 ARG 15 2HH1 ARG 15 0.288 -18.025 -18.025 115 2HH1 ARG 15 1HH1 ARG 15 0.740 -19.446 -19.446 116 1HH2 ARG 15 1HH2 ARG 15 1.731 -17.518 -17.518 117 2HH2 ARG 15 2HH2 ARG 15 1.633 -19.136 -19.136 118 H HIS 16 H HIS 16 4.190 -14.919 -14.919 119 HA HIS 16 HA HIS 16 3.883 -16.639 -16.639 120 1HB HIS 16 2HB HIS 16 3.110 -17.485 -17.485 121 2HB HIS 16 1HB HIS 16 4.822 -17.871 -17.871 122 HD1 HIS 16 HD1 HIS 16 2.965 -20.224 -20.224 123 HD2 HIS 16 HD2 HIS 16 4.650 -18.526 -18.526 124 HE1 HIS 16 HE1 HIS 16 2.892 -21.932 -21.932 125 HA PRO 17 HA PRO 17 8.385 -16.216 -16.216 126 1HB PRO 17 2HB PRO 17 9.153 -13.788 -13.788 127 2HB PRO 17 1HB PRO 17 8.610 -14.088 -14.088 128 1HG PRO 17 2HG PRO 17 7.029 -12.835 -12.835 129 2HG PRO 17 1HG PRO 17 7.096 -12.315 -12.315 130 1HD PRO 17 2HD PRO 17 5.053 -14.059 -14.059 131 2HD PRO 17 1HD PRO 17 5.474 -13.770 -13.770 132 H CYS 18 H CYS 18 6.173 -14.556 -14.556 133 HA CYS 18 HA CYS 18 7.795 -15.012 -15.012 134 1HB CYS 18 2HB CYS 18 6.122 -13.871 -13.871 135 2HB CYS 18 1HB CYS 18 5.947 -13.205 -13.205 136 H HIS 19 H HIS 19 7.372 -16.410 -16.410 137 HA HIS 19 HA HIS 19 5.329 -18.496 -18.496 138 1HB HIS 19 2HB HIS 19 8.325 -19.121 -19.121 139 2HB HIS 19 1HB HIS 19 7.084 -20.323 -20.323 140 HD1 HIS 19 HD1 HIS 19 8.108 -17.830 -17.830 141 HD2 HIS 19 HD2 HIS 19 6.320 -21.487 -21.487 142 HE1 HIS 19 HE1 HIS 19 7.702 -18.718 -18.718 143 H GLY 20 H GLY 20 6.059 -20.147 -20.147 144 1HA GLY 20 2HA GLY 20 6.705 -20.393 -20.393 145 2HA GLY 20 1HA GLY 20 6.658 -18.651 -18.651 146 H ASN 21 H ASN 21 4.717 -17.677 -17.677 147 HA ASN 21 HA ASN 21 2.301 -19.391 -19.391 148 1HB ASN 21 2HB ASN 21 3.371 -17.235 -17.235 149 2HB ASN 21 1HB ASN 21 1.760 -17.899 -17.899 150 1HD2 ASN 21 2HD2 ASN 21 4.116 -21.017 -21.017 151 2HD2 ASN 21 1HD2 ASN 21 3.863 -20.472 -20.472 152 H LEU 22 H LEU 22 3.417 -16.089 -16.089 153 HA LEU 22 HA LEU 22 2.742 -14.145 -14.145 154 1HB LEU 22 2HB LEU 22 2.060 -16.112 -16.112 155 2HB LEU 22 1HB LEU 22 0.576 -15.197 -15.197 156 HG LEU 22 HG LEU 22 2.022 -13.067 -13.067 157 1HD1 LEU 22 1HD1 LEU 22 4.099 -15.090 -15.090 158 2HD1 LEU 22 3HD1 LEU 22 4.233 -13.348 -13.348 159 3HD1 LEU 22 2HD1 LEU 22 4.235 -14.094 -14.094 160 1HD2 LEU 22 3HD2 LEU 22 1.829 -14.943 -14.943 161 2HD2 LEU 22 2HD2 LEU 22 0.633 -13.762 -13.762 162 3HD2 LEU 22 1HD2 LEU 22 2.165 -13.225 -13.225 163 H MET 23 H MET 23 -0.087 -16.121 -16.121 164 HA MET 23 HA MET 23 -2.199 -14.526 -14.526 165 1HB MET 23 2HB MET 23 -1.856 -17.186 -17.186 166 2HB MET 23 1HB MET 23 -1.795 -16.873 -16.873 167 1HG MET 23 2HG MET 23 -4.101 -16.412 -16.412 168 2HG MET 23 1HG MET 23 -4.006 -17.512 -17.512 169 1HE MET 23 2HE MET 23 -6.518 -16.326 -16.326 170 2HE MET 23 1HE MET 23 -6.900 -14.836 -14.836 171 3HE MET 23 3HE MET 23 -6.099 -14.767 -14.767 172 H ASN 24 H ASN 24 -0.131 -15.597 -15.597 173 HA ASN 24 HA ASN 24 -1.228 -13.544 -13.544 174 1HB ASN 24 2HB ASN 24 0.091 -14.884 -14.884 175 2HB ASN 24 1HB ASN 24 -1.111 -15.847 -15.847 176 1HD2 ASN 24 2HD2 ASN 24 1.798 -18.013 -18.013 177 2HD2 ASN 24 1HD2 ASN 24 0.499 -17.669 -17.669 178 H GLN 25 H GLN 25 1.077 -13.583 -13.583 179 HA GLN 25 HA GLN 25 3.254 -12.352 -12.352 180 1HB GLN 25 2HB GLN 25 3.565 -13.536 -13.536 181 2HB GLN 25 1HB GLN 25 2.840 -12.113 -12.113 182 1HG GLN 25 2HG GLN 25 5.248 -11.785 -11.785 183 2HG GLN 25 1HG GLN 25 4.700 -10.737 -10.737 184 1HE2 GLN 25 2HE2 GLN 25 6.561 -12.568 -12.568 185 2HE2 GLN 25 1HE2 GLN 25 5.562 -11.212 -11.212 186 H ILE 26 H ILE 26 0.935 -11.244 -11.244 187 HA ILE 26 HA ILE 26 1.255 -8.493 -8.493 188 HB ILE 26 HB ILE 26 -1.153 -8.302 -8.302 189 1HG1 ILE 26 2HG1 ILE 26 -1.061 -11.346 -11.346 190 2HG1 ILE 26 1HG1 ILE 26 -1.925 -10.603 -10.603 191 1HG2 ILE 26 1HG2 ILE 26 0.806 -10.139 -10.139 192 2HG2 ILE 26 3HG2 ILE 26 -0.504 -9.259 -9.259 193 3HG2 ILE 26 2HG2 ILE 26 0.799 -8.387 -8.387 194 1HD1 ILE 26 1HD1 ILE 26 -2.427 -9.959 -9.959 195 2HD1 ILE 26 3HD1 ILE 26 -3.447 -10.994 -10.994 196 3HD1 ILE 26 2HD1 ILE 26 -3.286 -9.272 -9.272 197 H LYS 27 H LYS 27 -0.710 -10.697 -10.697 198 HA LYS 27 HA LYS 27 -2.127 -8.712 -8.712 199 1HB LYS 27 2HB LYS 27 -2.640 -11.231 -11.231 200 2HB LYS 27 1HB LYS 27 -1.158 -11.422 -11.422 201 1HG LYS 27 2HG LYS 27 -2.036 -9.791 -9.791 202 2HG LYS 27 1HG LYS 27 -3.463 -9.563 -9.563 203 1HD LYS 27 2HD LYS 27 -3.596 -12.280 -12.280 204 2HD LYS 27 1HD LYS 27 -2.622 -11.880 -11.880 205 1HE LYS 27 2HE LYS 27 -5.011 -11.769 -11.769 206 2HE LYS 27 1HE LYS 27 -4.320 -10.148 -10.148 207 1HZ LYS 27 3HZ LYS 27 -5.139 -10.766 -10.766 208 2HZ LYS 27 2HZ LYS 27 -6.472 -10.990 -10.990 209 3HZ LYS 27 1HZ LYS 27 -5.663 -9.486 -9.486 210 H ASN 28 H ASN 28 0.894 -10.336 -10.336 211 HA ASN 28 HA ASN 28 1.441 -8.755 -8.755 212 1HB ASN 28 2HB ASN 28 3.103 -10.735 -10.735 213 2HB ASN 28 1HB ASN 28 3.689 -9.913 -9.913 214 1HD2 ASN 28 2HD2 ASN 28 1.166 -12.976 -12.976 215 2HD2 ASN 28 1HD2 ASN 28 1.817 -12.652 -12.652 216 H GLN 29 H GLN 29 2.820 -8.566 -8.566 217 HA GLN 29 HA GLN 29 4.598 -6.427 -6.427 218 1HB GLN 29 2HB GLN 29 3.579 -7.227 -7.227 219 2HB GLN 29 1HB GLN 29 4.738 -5.933 -5.933 220 1HG GLN 29 2HG GLN 29 6.120 -7.794 -7.794 221 2HG GLN 29 1HG GLN 29 5.079 -8.929 -8.929 222 1HE2 GLN 29 2HE2 GLN 29 8.156 -7.982 -7.982 223 2HE2 GLN 29 1HE2 GLN 29 8.042 -8.483 -8.483 224 H LEU 30 H LEU 30 1.224 -6.542 -6.542 225 HA LEU 30 HA LEU 30 1.107 -3.669 -3.669 226 1HB LEU 30 2HB LEU 30 -0.445 -5.311 -5.311 227 2HB LEU 30 1HB LEU 30 -1.150 -5.647 -5.647 228 HG LEU 30 HG LEU 30 -1.271 -2.836 -2.836 229 1HD1 LEU 30 2HD1 LEU 30 -1.803 -3.861 -3.861 230 2HD1 LEU 30 1HD1 LEU 30 -2.167 -2.242 -2.242 231 3HD1 LEU 30 3HD1 LEU 30 -0.509 -2.770 -2.770 232 1HD2 LEU 30 3HD2 LEU 30 -3.338 -4.814 -4.814 233 2HD2 LEU 30 2HD2 LEU 30 -2.960 -4.343 -4.343 234 3HD2 LEU 30 1HD2 LEU 30 -3.635 -3.150 -3.150 235 H ALA 31 H ALA 31 0.261 -5.774 -5.774 236 HA ALA 31 HA ALA 31 -0.970 -3.860 -3.860 237 1HB ALA 31 2HB ALA 31 -0.670 -6.289 -6.289 238 2HB ALA 31 1HB ALA 31 1.057 -5.999 -5.999 239 3HB ALA 31 3HB ALA 31 -0.117 -5.239 -5.239 240 H GLN 32 H GLN 32 2.350 -4.574 -4.574 241 HA GLN 32 HA GLN 32 3.679 -2.756 -2.756 242 1HB GLN 32 2HB GLN 32 4.729 -4.605 -4.605 243 2HB GLN 32 1HB GLN 32 4.524 -3.536 -3.536 244 1HG GLN 32 2HG GLN 32 6.118 -1.939 -1.939 245 2HG GLN 32 1HG GLN 32 6.217 -2.769 -2.769 246 1HE2 GLN 32 2HE2 GLN 32 8.971 -4.624 -4.624 247 2HE2 GLN 32 1HE2 GLN 32 8.311 -3.724 -3.724 248 H LEU 33 H LEU 33 1.827 -2.196 -2.196 249 HA LEU 33 HA LEU 33 2.596 0.668 0.668 250 1HB LEU 33 2HB LEU 33 0.688 -0.896 -0.896 251 2HB LEU 33 1HB LEU 33 1.534 0.590 0.590 252 HG LEU 33 HG LEU 33 2.827 -2.140 -2.140 253 1HD1 LEU 33 1HD1 LEU 33 1.689 -1.806 -1.806 254 2HD1 LEU 33 3HD1 LEU 33 2.614 -0.354 -0.354 255 3HD1 LEU 33 2HD1 LEU 33 3.424 -1.908 -1.908 256 1HD2 LEU 33 3HD2 LEU 33 4.322 -0.372 -0.372 257 2HD2 LEU 33 2HD2 LEU 33 4.962 -1.059 -1.059 258 3HD2 LEU 33 1HD2 LEU 33 4.201 0.516 0.516 259 H ASN 34 H ASN 34 -0.351 -1.407 -1.407 260 HA ASN 34 HA ASN 34 -2.247 0.679 0.679 261 1HB ASN 34 2HB ASN 34 -2.662 -1.855 -1.855 262 2HB ASN 34 1HB ASN 34 -1.929 -1.474 -1.474 263 1HD2 ASN 34 2HD2 ASN 34 -5.004 -0.435 -0.435 264 2HD2 ASN 34 1HD2 ASN 34 -3.696 -1.494 -1.494 265 H GLY 35 H GLY 35 -0.047 -0.521 -0.521 266 1HA GLY 35 2HA GLY 35 -0.334 1.306 1.306 267 2HA GLY 35 1HA GLY 35 1.231 0.599 0.599 268 H SER 36 H SER 36 1.507 1.739 1.739 269 HA SER 36 HA SER 36 2.459 4.399 4.399 270 1HB SER 36 2HB SER 36 3.470 4.437 4.437 271 2HB SER 36 1HB SER 36 3.635 2.815 2.815 272 HG SER 36 HG SER 36 1.284 2.971 2.971 273 H ALA 37 H ALA 37 -0.249 3.073 3.073 274 HA ALA 37 HA ALA 37 -1.179 5.255 5.255 275 1HB ALA 37 2HB ALA 37 -2.327 2.966 2.966 276 2HB ALA 37 1HB ALA 37 -2.934 3.428 3.428 277 3HB ALA 37 3HB ALA 37 -3.321 4.410 4.410 278 H ASN 38 H ASN 38 -1.239 4.489 4.489 279 HA ASN 38 HA ASN 38 -2.637 7.033 7.033 280 1HB ASN 38 2HB ASN 38 -3.195 4.974 4.974 281 2HB ASN 38 1HB ASN 38 -1.523 4.798 4.798 282 1HD2 ASN 38 2HD2 ASN 38 -2.485 8.194 8.194 283 2HD2 ASN 38 1HD2 ASN 38 -1.884 8.163 8.163 284 H ALA 39 H ALA 39 0.452 5.381 5.381 285 HA ALA 39 HA ALA 39 1.600 7.799 7.799 286 1HB ALA 39 3HB ALA 39 2.938 5.196 5.196 287 2HB ALA 39 2HB ALA 39 3.773 6.411 6.411 288 3HB ALA 39 1HB ALA 39 2.427 5.521 5.521 289 H LEU 40 H LEU 40 2.524 6.207 6.207 290 HA LEU 40 HA LEU 40 4.203 8.288 8.288 291 1HB LEU 40 2HB LEU 40 4.173 6.348 6.348 292 2HB LEU 40 1HB LEU 40 2.439 6.244 6.244 293 HG LEU 40 HG LEU 40 3.746 6.908 6.908 294 1HD1 LEU 40 2HD1 LEU 40 1.317 8.588 8.588 295 2HD1 LEU 40 1HD1 LEU 40 1.950 8.339 8.339 296 3HD1 LEU 40 3HD1 LEU 40 1.315 6.979 6.979 297 1HD2 LEU 40 2HD2 LEU 40 3.566 9.628 9.628 298 2HD2 LEU 40 1HD2 LEU 40 5.051 8.829 8.829 299 3HD2 LEU 40 3HD2 LEU 40 3.875 9.308 9.308 300 H PHE 41 H PHE 41 0.710 7.833 7.833 301 HA PHE 41 HA PHE 41 0.139 10.220 10.220 302 1HB PHE 41 2HB PHE 41 -1.644 8.702 8.702 303 2HB PHE 41 1HB PHE 41 -1.431 8.989 8.989 304 HD1 PHE 41 HD2 PHE 41 -1.294 11.773 11.773 305 HD2 PHE 41 HD1 PHE 41 -3.783 9.654 9.654 306 HE1 PHE 41 HE2 PHE 41 -2.918 13.546 13.546 307 HE2 PHE 41 HE1 PHE 41 -5.418 11.462 11.462 308 HZ PHE 41 HZ PHE 41 -4.925 13.456 13.456 309 H ILE 42 H ILE 42 0.105 10.002 10.002 310 HA ILE 42 HA ILE 42 -0.162 12.775 12.775 311 HB ILE 42 HB ILE 42 0.635 10.561 10.561 312 1HG1 ILE 42 2HG1 ILE 42 -1.337 11.519 11.519 313 2HG1 ILE 42 1HG1 ILE 42 -1.466 12.791 12.791 314 1HG2 ILE 42 1HG2 ILE 42 0.846 13.526 13.526 315 2HG2 ILE 42 3HG2 ILE 42 0.934 12.169 12.169 316 3HG2 ILE 42 2HG2 ILE 42 2.190 12.411 12.411 317 1HD1 ILE 42 1HD1 ILE 42 -1.829 11.031 11.031 318 2HD1 ILE 42 3HD1 ILE 42 -1.899 9.846 9.846 319 3HD1 ILE 42 2HD1 ILE 42 -3.096 11.110 11.110 320 H SER 43 H SER 43 2.639 10.799 10.799 321 HA SER 43 HA SER 43 4.495 12.969 12.969 322 1HB SER 43 2HB SER 43 4.892 10.480 10.480 323 2HB SER 43 1HB SER 43 4.950 10.185 10.185 324 HG SER 43 HG SER 43 6.696 12.044 12.044 325 H TYR 44 H TYR 44 2.764 12.035 12.035 326 HA TYR 44 HA TYR 44 4.595 13.141 13.141 327 1HB TYR 44 2HB TYR 44 3.600 11.366 11.366 328 2HB TYR 44 1HB TYR 44 2.199 11.307 11.307 329 HD1 TYR 44 HD1 TYR 44 0.195 12.794 12.794 330 HD2 TYR 44 HD2 TYR 44 3.500 12.526 12.526 331 HE1 TYR 44 HE1 TYR 44 -0.994 13.812 13.812 332 HE2 TYR 44 HE2 TYR 44 2.334 13.574 13.574 333 HH TYR 44 HH TYR 44 0.120 15.411 15.411 334 H TYR 45 H TYR 45 1.226 13.676 13.676 335 HA TYR 45 HA TYR 45 1.075 16.265 16.265 336 1HB TYR 45 2HB TYR 45 -1.198 16.398 16.398 337 2HB TYR 45 1HB TYR 45 -0.922 14.695 14.695 338 HD1 TYR 45 HD2 TYR 45 0.683 14.498 14.498 339 HD2 TYR 45 HD1 TYR 45 -2.776 16.747 16.747 340 HE1 TYR 45 HE2 TYR 45 0.085 14.473 14.473 341 HE2 TYR 45 HE1 TYR 45 -3.352 16.730 16.730 342 HH TYR 45 HH TYR 45 -1.826 14.718 14.718 343 H THR 46 H THR 46 2.319 15.462 15.462 344 HA THR 46 HA THR 46 2.145 18.160 18.160 345 HB THR 46 HB THR 46 4.311 17.383 17.383 346 HG1 THR 46 HG1 THR 46 5.070 15.598 15.598 347 1HG2 THR 46 1HG2 THR 46 1.747 15.788 15.788 348 2HG2 THR 46 3HG2 THR 46 3.014 15.799 15.799 349 3HG2 THR 46 2HG2 THR 46 2.102 17.257 17.257 350 H ALA 47 H ALA 47 4.374 16.627 16.627 351 HA ALA 47 HA ALA 47 6.235 18.850 18.850 352 1HB ALA 47 2HB ALA 47 5.811 16.570 16.570 353 2HB ALA 47 1HB ALA 47 7.171 17.684 17.684 354 3HB ALA 47 3HB ALA 47 6.936 16.565 16.565 355 H GLN 48 H GLN 48 3.082 18.600 18.600 356 HA GLN 48 HA GLN 48 3.648 20.277 20.277 357 1HB GLN 48 2HB GLN 48 1.181 19.054 19.054 358 2HB GLN 48 1HB GLN 48 0.969 20.339 20.339 359 1HG GLN 48 2HG GLN 48 0.876 18.290 18.290 360 2HG GLN 48 1HG GLN 48 2.505 18.855 18.855 361 1HE2 GLN 48 2HE2 GLN 48 3.827 16.297 16.297 362 2HE2 GLN 48 1HE2 GLN 48 4.093 17.930 17.930 363 H GLY 49 H GLY 49 2.861 20.575 20.575 364 1HA GLY 49 2HA GLY 49 3.268 22.538 22.538 365 2HA GLY 49 1HA GLY 49 2.810 23.528 23.528 366 H GLU 50 H GLU 50 0.863 24.115 24.115 367 HA GLU 50 HA GLU 50 -1.362 22.880 22.880 368 1HB GLU 50 2HB GLU 50 -1.999 25.366 25.366 369 2HB GLU 50 1HB GLU 50 -0.720 24.547 24.547 370 1HG GLU 50 2HG GLU 50 0.968 25.717 25.717 371 2HG GLU 50 1HG GLU 50 -0.354 26.544 26.544 372 HA PRO 51 HA PRO 51 -3.625 24.200 24.200 373 1HB PRO 51 2HB PRO 51 -6.149 24.499 24.499 374 2HB PRO 51 1HB PRO 51 -5.050 25.885 25.885 375 1HG PRO 51 2HG PRO 51 -5.802 23.946 23.946 376 2HG PRO 51 1HG PRO 51 -5.743 25.716 25.716 377 1HD PRO 51 2HD PRO 51 -3.636 24.067 24.067 378 2HD PRO 51 1HD PRO 51 -3.391 25.731 25.731 379 H PHE 52 H PHE 52 -2.759 22.138 22.138 380 HA PHE 52 HA PHE 52 -4.502 19.879 19.879 381 1HB PHE 52 2HB PHE 52 -1.544 20.309 20.309 382 2HB PHE 52 1HB PHE 52 -2.053 18.708 18.708 383 HD1 PHE 52 HD2 PHE 52 -4.527 20.221 20.221 384 HD2 PHE 52 HD1 PHE 52 -0.669 18.359 18.359 385 HE1 PHE 52 HE2 PHE 52 -4.644 19.594 19.594 386 HE2 PHE 52 HE1 PHE 52 -0.833 17.750 17.750 387 HZ PHE 52 HZ PHE 52 -2.735 18.390 18.390 388 HA PRO 53 HA PRO 53 -2.402 18.262 18.262 389 1HB PRO 53 2HB PRO 53 -1.556 20.483 20.483 390 2HB PRO 53 1HB PRO 53 -0.501 19.344 19.344 391 1HG PRO 53 2HG PRO 53 -1.535 22.032 22.032 392 2HG PRO 53 1HG PRO 53 0.099 21.372 21.372 393 1HD PRO 53 2HD PRO 53 -1.405 21.193 21.193 394 2HD PRO 53 1HD PRO 53 -0.564 19.712 19.712 395 H ASN 54 H ASN 54 -4.117 21.095 21.095 396 HA ASN 54 HA ASN 54 -5.990 20.474 20.474 397 1HB ASN 54 2HB ASN 54 -4.756 22.749 22.749 398 2HB ASN 54 1HB ASN 54 -5.797 23.158 23.158 399 1HD2 ASN 54 2HD2 ASN 54 -8.515 22.620 22.620 400 2HD2 ASN 54 1HD2 ASN 54 -7.994 21.411 21.411 401 H ASN 55 H ASN 55 -5.865 20.662 20.662 402 HA ASN 55 HA ASN 55 -8.857 20.293 20.293 403 1HB ASN 55 2HB ASN 55 -7.163 21.764 21.764 404 2HB ASN 55 1HB ASN 55 -8.854 21.352 21.352 405 1HD2 ASN 55 2HD2 ASN 55 -8.027 24.655 24.655 406 2HD2 ASN 55 1HD2 ASN 55 -6.796 23.774 23.774 407 H LEU 56 H LEU 56 -6.433 18.508 18.508 408 HA LEU 56 HA LEU 56 -6.388 17.242 17.242 409 1HB LEU 56 2HB LEU 56 -5.024 15.612 15.612 410 2HB LEU 56 1HB LEU 56 -4.924 16.972 16.972 411 HG LEU 56 HG LEU 56 -6.886 15.814 15.814 412 1HD1 LEU 56 2HD1 LEU 56 -7.346 14.084 14.084 413 2HD1 LEU 56 1HD1 LEU 56 -5.745 13.472 13.472 414 3HD1 LEU 56 3HD1 LEU 56 -6.995 13.401 13.401 415 1HD2 LEU 56 3HD2 LEU 56 -4.191 14.426 14.426 416 2HD2 LEU 56 2HD2 LEU 56 -4.569 15.843 15.843 417 3HD2 LEU 56 1HD2 LEU 56 -5.352 14.316 14.316 418 H ASP 57 H ASP 57 -8.374 16.978 16.978 419 HA ASP 57 HA ASP 57 -9.772 14.730 14.730 420 1HB ASP 57 2HB ASP 57 -10.784 17.101 17.101 421 2HB ASP 57 1HB ASP 57 -11.412 15.464 15.464 422 H LYS 58 H LYS 58 -9.995 17.872 17.872 423 HA LYS 58 HA LYS 58 -12.584 17.226 17.226 424 1HB LYS 58 2HB LYS 58 -12.587 19.314 19.314 425 2HB LYS 58 1HB LYS 58 -11.229 19.938 19.938 426 1HG LYS 58 2HG LYS 58 -12.633 19.835 19.835 427 2HG LYS 58 1HG LYS 58 -13.979 19.237 19.237 428 1HD LYS 58 2HD LYS 58 -14.078 21.340 21.340 429 2HD LYS 58 1HD LYS 58 -12.628 21.931 21.931 430 1HE LYS 58 2HE LYS 58 -13.797 21.814 21.814 431 2HE LYS 58 1HE LYS 58 -15.246 21.213 21.213 432 1HZ LYS 58 1HZ LYS 58 -14.491 23.583 23.583 433 2HZ LYS 58 3HZ LYS 58 -14.441 23.888 23.888 434 3HZ LYS 58 2HZ LYS 58 -15.873 23.320 23.320 435 H LEU 59 H LEU 59 -9.237 17.900 17.900 436 HA LEU 59 HA LEU 59 -9.739 17.981 17.981 437 1HB LEU 59 2HB LEU 59 -7.309 18.814 18.814 438 2HB LEU 59 1HB LEU 59 -7.337 18.801 18.801 439 HG LEU 59 HG LEU 59 -8.292 20.867 20.867 440 1HD1 LEU 59 2HD1 LEU 59 -10.587 19.988 19.988 441 2HD1 LEU 59 1HD1 LEU 59 -10.176 20.214 20.214 442 3HD1 LEU 59 3HD1 LEU 59 -10.268 21.595 21.595 443 1HD2 LEU 59 1HD2 LEU 59 -7.887 20.671 20.671 444 2HD2 LEU 59 3HD2 LEU 59 -6.659 21.158 21.158 445 3HD2 LEU 59 2HD2 LEU 59 -8.050 22.189 22.189 446 H CYS 60 H CYS 60 -8.343 16.082 16.082 447 HA CYS 60 HA CYS 60 -6.975 14.313 14.313 448 1HB CYS 60 2HB CYS 60 -6.068 14.994 14.994 449 2HB CYS 60 1HB CYS 60 -5.329 13.882 13.882 450 H GLY 61 H GLY 61 -9.781 13.587 13.587 451 1HA GLY 61 2HA GLY 61 -9.024 11.167 11.167 452 2HA GLY 61 1HA GLY 61 -10.130 12.280 12.280 453 HA PRO 62 HA PRO 62 -12.994 10.830 10.830 454 1HB PRO 62 2HB PRO 62 -12.128 9.917 9.917 455 2HB PRO 62 1HB PRO 62 -12.233 11.633 11.633 456 1HG PRO 62 2HG PRO 62 -9.694 9.880 9.880 457 2HG PRO 62 1HG PRO 62 -9.849 11.288 11.288 458 1HD PRO 62 2HD PRO 62 -8.954 11.470 11.470 459 2HD PRO 62 1HD PRO 62 -10.138 12.686 12.686 460 H ASN 63 H ASN 63 -13.792 8.862 8.862 461 HA ASN 63 HA ASN 63 -12.683 6.370 6.370 462 1HB ASN 63 2HB ASN 63 -15.157 5.784 5.784 463 2HB ASN 63 1HB ASN 63 -14.446 7.017 7.017 464 1HD2 ASN 63 2HD2 ASN 63 -16.774 9.457 9.457 465 2HD2 ASN 63 1HD2 ASN 63 -15.505 9.058 9.058 466 H VAL 64 H VAL 64 -15.263 7.415 7.415 467 HA VAL 64 HA VAL 64 -14.475 5.611 5.611 468 HB VAL 64 HB VAL 64 -17.325 6.056 6.056 469 1HG1 VAL 64 2HG1 VAL 64 -16.298 4.278 4.278 470 2HG1 VAL 64 1HG1 VAL 64 -17.971 4.360 4.360 471 3HG1 VAL 64 3HG1 VAL 64 -17.218 5.753 5.753 472 1HG2 VAL 64 3HG2 VAL 64 -15.568 3.547 3.547 473 2HG2 VAL 64 2HG2 VAL 64 -16.053 4.505 4.505 474 3HG2 VAL 64 1HG2 VAL 64 -17.254 3.595 3.595 475 H THR 65 H THR 65 -13.517 7.637 7.637 476 HA THR 65 HA THR 65 -15.235 9.874 9.874 477 HB THR 65 HB THR 65 -13.132 10.475 10.475 478 HG1 THR 65 HG1 THR 65 -13.707 11.772 11.772 479 1HG2 THR 65 3HG2 THR 65 -11.760 8.412 8.412 480 2HG2 THR 65 2HG2 THR 65 -11.515 9.235 9.235 481 3HG2 THR 65 1HG2 THR 65 -10.888 9.938 9.938 482 H ASP 66 H ASP 66 -12.820 10.093 10.093 483 HA ASP 66 HA ASP 66 -14.192 8.389 8.389 484 1HB ASP 66 2HB ASP 66 -13.972 10.784 10.784 485 2HB ASP 66 1HB ASP 66 -12.251 10.734 10.734 486 H PHE 67 H PHE 67 -12.487 7.255 7.255 487 HA PHE 67 HA PHE 67 -10.092 6.472 6.472 488 1HB PHE 67 2HB PHE 67 -9.011 6.194 6.194 489 2HB PHE 67 1HB PHE 67 -10.256 7.195 7.195 490 HD1 PHE 67 HD1 PHE 67 -12.443 5.887 5.887 491 HD2 PHE 67 HD2 PHE 67 -8.611 4.064 4.064 492 HE1 PHE 67 HE1 PHE 67 -13.082 4.084 4.084 493 HE2 PHE 67 HE2 PHE 67 -9.273 2.290 2.290 494 HZ PHE 67 HZ PHE 67 -11.519 2.297 2.297 495 HA PRO 68 HA PRO 68 -12.020 2.613 2.613 496 1HB PRO 68 2HB PRO 68 -10.145 0.712 0.712 497 2HB PRO 68 1HB PRO 68 -10.077 1.724 1.724 498 1HG PRO 68 2HG PRO 68 -8.837 2.268 2.268 499 2HG PRO 68 1HG PRO 68 -7.980 2.244 2.244 500 1HD PRO 68 2HD PRO 68 -8.754 4.599 4.599 501 2HD PRO 68 1HD PRO 68 -9.135 4.278 4.278 502 HA PRO 69 HA PRO 69 -13.503 2.343 2.343 503 1HB PRO 69 2HB PRO 69 -16.114 1.939 1.939 504 2HB PRO 69 1HB PRO 69 -15.335 3.389 3.389 505 1HG PRO 69 2HG PRO 69 -15.793 0.723 0.723 506 2HG PRO 69 1HG PRO 69 -16.338 2.327 2.327 507 1HD PRO 69 2HD PRO 69 -13.947 1.304 1.304 508 2HD PRO 69 1HD PRO 69 -14.120 3.046 3.046 509 H PHE 70 H PHE 70 -12.033 0.438 0.438 510 HA PHE 70 HA PHE 70 -12.429 -2.217 -2.217 511 1HB PHE 70 2HB PHE 70 -10.442 -1.021 -1.021 512 2HB PHE 70 1HB PHE 70 -11.385 -1.084 -1.084 513 HD1 PHE 70 HD1 PHE 70 -12.405 -3.616 -3.616 514 HD2 PHE 70 HD2 PHE 70 -8.868 -2.687 -2.687 515 HE1 PHE 70 HE1 PHE 70 -11.573 -5.881 -5.881 516 HE2 PHE 70 HE2 PHE 70 -8.054 -4.971 -4.971 517 HZ PHE 70 HZ PHE 70 -9.371 -6.543 -6.543 518 H HIS 71 H HIS 71 -14.317 -3.463 -3.463 519 HA HIS 71 HA HIS 71 -15.481 -3.087 -3.087 520 1HB HIS 71 2HB HIS 71 -16.889 -1.983 -1.983 521 2HB HIS 71 1HB HIS 71 -17.205 -3.607 -3.607 522 HD1 HIS 71 HD1 HIS 71 -19.734 -3.028 -3.028 523 HD2 HIS 71 HD2 HIS 71 -17.047 -3.542 -3.542 524 HE1 HIS 71 HE1 HIS 71 -21.050 -3.368 -3.368 525 H ALA 72 H ALA 72 -14.164 -4.793 -4.793 526 HA ALA 72 HA ALA 72 -13.726 -7.289 -7.289 527 1HB ALA 72 1HB ALA 72 -13.064 -6.524 -6.524 528 2HB ALA 72 3HB ALA 72 -14.748 -6.709 -6.709 529 3HB ALA 72 2HB ALA 72 -13.818 -8.118 -8.118 530 H ASN 73 H ASN 73 -15.519 -7.769 -7.769 531 HA ASN 73 HA ASN 73 -18.003 -8.652 -8.652 532 1HB ASN 73 2HB ASN 73 -18.087 -7.174 -7.174 533 2HB ASN 73 1HB ASN 73 -17.338 -8.481 -8.481 534 1HD2 ASN 73 2HD2 ASN 73 -20.319 -10.389 -10.389 535 2HD2 ASN 73 1HD2 ASN 73 -18.613 -10.421 -10.421 536 H GLY 74 H GLY 74 -16.151 -9.864 -9.864 537 1HA GLY 74 2HA GLY 74 -14.847 -11.823 -11.823 538 2HA GLY 74 1HA GLY 74 -16.462 -12.554 -12.554 539 H THR 75 H THR 75 -14.482 -10.885 -10.885 540 HA THR 75 HA THR 75 -14.329 -13.254 -13.254 541 HB THR 75 HB THR 75 -13.933 -10.956 -10.956 542 HG1 THR 75 HG1 THR 75 -15.068 -9.387 -9.387 543 1HG2 THR 75 2HG2 THR 75 -16.474 -12.375 -12.375 544 2HG2 THR 75 1HG2 THR 75 -16.138 -11.480 -11.480 545 3HG2 THR 75 3HG2 THR 75 -15.252 -12.972 -12.972 546 H GLU 76 H GLU 76 -12.497 -13.859 -13.859 547 HA GLU 76 HA GLU 76 -10.121 -12.750 -12.750 548 1HB GLU 76 2HB GLU 76 -10.396 -15.227 -15.227 549 2HB GLU 76 1HB GLU 76 -9.826 -14.511 -14.511 550 1HG GLU 76 2HG GLU 76 -7.797 -15.057 -15.057 551 2HG GLU 76 1HG GLU 76 -7.946 -13.437 -13.437 552 H LYS 77 H LYS 77 -10.843 -13.092 -13.092 553 HA LYS 77 HA LYS 77 -9.099 -11.216 -11.216 554 1HB LYS 77 2HB LYS 77 -10.492 -12.421 -12.421 555 2HB LYS 77 1HB LYS 77 -11.980 -11.774 -11.774 556 1HG LYS 77 2HG LYS 77 -10.649 -9.506 -9.506 557 2HG LYS 77 1HG LYS 77 -9.911 -10.754 -10.754 558 1HD LYS 77 2HD LYS 77 -11.807 -10.099 -10.099 559 2HD LYS 77 1HD LYS 77 -12.324 -11.581 -11.581 560 1HE LYS 77 2HE LYS 77 -13.283 -10.113 -10.113 561 2HE LYS 77 1HE LYS 77 -12.908 -8.719 -8.719 562 1HZ LYS 77 2HZ LYS 77 -14.336 -10.567 -10.567 563 2HZ LYS 77 1HZ LYS 77 -15.190 -10.322 -10.322 564 3HZ LYS 77 3HZ LYS 77 -14.778 -9.003 -9.003 565 H ALA 78 H ALA 78 -12.336 -10.415 -10.415 566 HA ALA 78 HA ALA 78 -11.968 -7.610 -7.610 567 1HB ALA 78 3HB ALA 78 -14.124 -8.535 -8.535 568 2HB ALA 78 2HB ALA 78 -13.377 -8.820 -8.820 569 3HB ALA 78 1HB ALA 78 -13.598 -7.188 -7.188 570 H LYS 79 H LYS 79 -11.256 -9.475 -9.475 571 HA LYS 79 HA LYS 79 -10.144 -7.370 -7.370 572 1HB LYS 79 2HB LYS 79 -9.530 -10.322 -10.322 573 2HB LYS 79 1HB LYS 79 -8.902 -9.223 -9.223 574 1HG LYS 79 2HG LYS 79 -11.235 -8.402 -8.402 575 2HG LYS 79 1HG LYS 79 -11.906 -9.550 -9.550 576 1HD LYS 79 2HD LYS 79 -10.336 -10.202 -10.202 577 2HD LYS 79 1HD LYS 79 -12.056 -10.342 -10.342 578 1HE LYS 79 2HE LYS 79 -11.945 -12.312 -12.312 579 2HE LYS 79 1HE LYS 79 -10.534 -11.826 -11.826 580 1HZ LYS 79 2HZ LYS 79 -9.687 -12.206 -12.206 581 2HZ LYS 79 1HZ LYS 79 -10.647 -13.525 -13.525 582 3HZ LYS 79 3HZ LYS 79 -9.316 -13.129 -13.129 583 H LEU 80 H LEU 80 -8.556 -9.420 -9.420 584 HA LEU 80 HA LEU 80 -5.966 -8.115 -8.115 585 1HB LEU 80 2HB LEU 80 -6.959 -10.211 -10.211 586 2HB LEU 80 1HB LEU 80 -5.349 -9.530 -9.530 587 HG LEU 80 HG LEU 80 -4.754 -10.339 -10.339 588 1HD1 LEU 80 1HD1 LEU 80 -7.575 -11.457 -11.457 589 2HD1 LEU 80 3HD1 LEU 80 -6.328 -11.784 -11.784 590 3HD1 LEU 80 2HD1 LEU 80 -6.946 -10.167 -10.167 591 1HD2 LEU 80 1HD2 LEU 80 -4.460 -11.931 -11.931 592 2HD2 LEU 80 3HD2 LEU 80 -4.885 -12.770 -12.770 593 3HD2 LEU 80 2HD2 LEU 80 -6.096 -12.534 -12.534 594 H VAL 81 H VAL 81 -8.223 -8.172 -8.172 595 HA VAL 81 HA VAL 81 -6.880 -6.209 -6.209 596 HB VAL 81 HB VAL 81 -9.887 -6.869 -6.869 597 1HG1 VAL 81 3HG1 VAL 81 -8.577 -5.150 -5.150 598 2HG1 VAL 81 2HG1 VAL 81 -10.240 -5.705 -5.705 599 3HG1 VAL 81 1HG1 VAL 81 -9.704 -4.581 -4.581 600 1HG2 VAL 81 2HG2 VAL 81 -7.819 -7.587 -7.587 601 2HG2 VAL 81 1HG2 VAL 81 -8.497 -8.685 -8.685 602 3HG2 VAL 81 3HG2 VAL 81 -9.517 -8.034 -8.034 603 H GLU 82 H GLU 82 -9.420 -5.740 -5.740 604 HA GLU 82 HA GLU 82 -9.498 -2.906 -2.906 605 1HB GLU 82 2HB GLU 82 -10.260 -4.646 -4.646 606 2HB GLU 82 1HB GLU 82 -10.669 -2.956 -2.956 607 1HG GLU 82 2HG GLU 82 -11.988 -3.470 -3.470 608 2HG GLU 82 1HG GLU 82 -11.522 -5.159 -5.159 609 H LEU 83 H LEU 83 -7.793 -5.105 -5.105 610 HA LEU 83 HA LEU 83 -6.543 -3.210 -3.210 611 1HB LEU 83 2HB LEU 83 -6.125 -5.596 -5.596 612 2HB LEU 83 1HB LEU 83 -5.523 -5.855 -5.855 613 HG LEU 83 HG LEU 83 -3.545 -4.355 -4.355 614 1HD1 LEU 83 3HD1 LEU 83 -4.633 -3.056 -3.056 615 2HD1 LEU 83 2HD1 LEU 83 -4.696 -4.500 -4.500 616 3HD1 LEU 83 1HD1 LEU 83 -3.151 -3.793 -3.793 617 1HD2 LEU 83 3HD2 LEU 83 -3.996 -6.836 -6.836 618 2HD2 LEU 83 2HD2 LEU 83 -3.388 -6.778 -6.778 619 3HD2 LEU 83 1HD2 LEU 83 -2.453 -6.077 -6.077 620 H TYR 84 H TYR 84 -5.269 -4.753 -4.753 621 HA TYR 84 HA TYR 84 -3.088 -3.278 -3.278 622 1HB TYR 84 2HB TYR 84 -3.910 -5.482 -5.482 623 2HB TYR 84 1HB TYR 84 -5.085 -4.706 -4.706 624 HD1 TYR 84 HD2 TYR 84 -4.007 -2.794 -2.794 625 HD2 TYR 84 HD1 TYR 84 -1.911 -6.090 -6.090 626 HE1 TYR 84 HE2 TYR 84 -2.420 -2.489 -2.489 627 HE2 TYR 84 HE1 TYR 84 -0.277 -5.859 -5.859 628 HH TYR 84 HH TYR 84 -0.569 -3.966 -3.966 629 H ARG 85 H ARG 85 -5.882 -3.031 -3.031 630 HA ARG 85 HA ARG 85 -5.569 -0.522 -0.522 631 1HB ARG 85 2HB ARG 85 -7.646 -1.977 -1.977 632 2HB ARG 85 1HB ARG 85 -8.224 -1.351 -1.351 633 1HG ARG 85 2HG ARG 85 -8.333 0.922 0.922 634 2HG ARG 85 1HG ARG 85 -7.447 0.539 0.539 635 1HD ARG 85 2HD ARG 85 -10.117 -0.856 -0.856 636 2HD ARG 85 1HD ARG 85 -10.004 0.772 0.772 637 HE ARG 85 HE ARG 85 -8.216 -1.205 -1.205 638 1HH1 ARG 85 2HH1 ARG 85 -11.318 0.251 0.251 639 2HH1 ARG 85 1HH1 ARG 85 -11.581 -0.024 -0.024 640 1HH2 ARG 85 1HH2 ARG 85 -8.437 -1.628 -1.628 641 2HH2 ARG 85 2HH2 ARG 85 -9.853 -1.181 -1.181 642 H MET 86 H MET 86 -6.452 -1.030 -1.030 643 HA MET 86 HA MET 86 -6.847 1.768 1.768 644 1HB MET 86 2HB MET 86 -8.122 0.157 0.157 645 2HB MET 86 1HB MET 86 -6.722 -0.814 -0.814 646 1HG MET 86 2HG MET 86 -6.914 1.910 1.910 647 2HG MET 86 1HG MET 86 -7.719 0.538 0.538 648 1HE MET 86 2HE MET 86 -4.976 2.651 2.651 649 2HE MET 86 1HE MET 86 -4.722 2.262 2.262 650 3HE MET 86 3HE MET 86 -3.520 1.812 1.812 651 H VAL 87 H VAL 87 -4.223 -0.475 -0.475 652 HA VAL 87 HA VAL 87 -2.447 1.324 1.324 653 HB VAL 87 HB VAL 87 -2.400 -1.364 -1.364 654 1HG1 VAL 87 3HG1 VAL 87 0.027 0.002 0.002 655 2HG1 VAL 87 2HG1 VAL 87 0.023 -1.683 -1.683 656 3HG1 VAL 87 1HG1 VAL 87 -0.060 -0.411 -0.411 657 1HG2 VAL 87 1HG2 VAL 87 -3.427 -1.378 -1.378 658 2HG2 VAL 87 3HG2 VAL 87 -1.917 -2.265 -2.265 659 3HG2 VAL 87 2HG2 VAL 87 -2.030 -0.635 -0.635 660 H ALA 88 H ALA 88 -2.402 -0.463 -0.463 661 HA ALA 88 HA ALA 88 -0.537 0.773 0.773 662 1HB ALA 88 3HB ALA 88 -3.354 0.091 0.091 663 2HB ALA 88 2HB ALA 88 -2.005 0.265 0.265 664 3HB ALA 88 1HB ALA 88 -2.006 -1.017 -1.017 665 H TYR 89 H TYR 89 -3.807 2.056 2.056 666 HA TYR 89 HA TYR 89 -3.007 4.516 4.516 667 1HB TYR 89 2HB TYR 89 -5.263 5.169 5.169 668 2HB TYR 89 1HB TYR 89 -5.551 3.493 3.493 669 HD1 TYR 89 HD1 TYR 89 -5.522 2.926 2.926 670 HD2 TYR 89 HD2 TYR 89 -5.879 6.904 6.904 671 HE1 TYR 89 HE1 TYR 89 -6.410 3.555 3.555 672 HE2 TYR 89 HE2 TYR 89 -6.746 7.530 7.530 673 HH TYR 89 HH TYR 89 -6.805 6.875 6.875 674 H LEU 90 H LEU 90 -3.677 3.781 3.781 675 HA LEU 90 HA LEU 90 -3.052 6.377 6.377 676 1HB LEU 90 2HB LEU 90 -4.187 4.609 4.609 677 2HB LEU 90 1HB LEU 90 -2.760 3.617 3.617 678 HG LEU 90 HG LEU 90 -3.421 4.926 4.926 679 1HD1 LEU 90 2HD1 LEU 90 -1.254 3.640 3.640 680 2HD1 LEU 90 1HD1 LEU 90 -0.494 4.993 4.993 681 3HD1 LEU 90 3HD1 LEU 90 -0.958 5.117 5.117 682 1HD2 LEU 90 1HD2 LEU 90 -3.748 7.053 7.053 683 2HD2 LEU 90 3HD2 LEU 90 -2.451 7.100 7.100 684 3HD2 LEU 90 2HD2 LEU 90 -2.074 7.197 7.197 685 H SER 91 H SER 91 -1.050 3.522 3.522 686 HA SER 91 HA SER 91 1.442 4.410 4.410 687 1HB SER 91 2HB SER 91 2.408 2.657 2.657 688 2HB SER 91 1HB SER 91 0.945 2.039 2.039 689 HG SER 91 HG SER 91 -0.237 2.733 2.733 690 H ALA 92 H ALA 92 0.319 4.514 4.514 691 HA ALA 92 HA ALA 92 2.405 5.985 5.985 692 1HB ALA 92 1HB ALA 92 -0.593 6.076 6.076 693 2HB ALA 92 3HB ALA 92 0.700 6.603 6.603 694 3HB ALA 92 2HB ALA 92 0.559 4.905 4.905 695 H SER 93 H SER 93 -0.602 7.120 7.120 696 HA SER 93 HA SER 93 -0.311 9.913 9.913 697 1HB SER 93 2HB SER 93 -2.303 8.408 8.408 698 2HB SER 93 1HB SER 93 -1.463 8.671 8.671 699 HG SER 93 HG SER 93 -2.869 10.514 10.514 700 H LEU 94 H LEU 94 0.763 7.828 7.828 701 HA LEU 94 HA LEU 94 2.123 9.696 9.696 702 1HB LEU 94 2HB LEU 94 2.184 6.666 6.666 703 2HB LEU 94 1HB LEU 94 3.585 7.436 7.436 704 HG LEU 94 HG LEU 94 2.454 8.285 8.285 705 1HD1 LEU 94 2HD1 LEU 94 -0.066 6.931 6.931 706 2HD1 LEU 94 1HD1 LEU 94 0.053 7.621 7.621 707 3HD1 LEU 94 3HD1 LEU 94 0.119 8.660 8.660 708 1HD2 LEU 94 2HD2 LEU 94 3.303 5.975 5.975 709 2HD2 LEU 94 1HD2 LEU 94 1.860 6.129 6.129 710 3HD2 LEU 94 3HD2 LEU 94 1.775 5.352 5.352 711 H THR 95 H THR 95 3.242 7.638 7.638 712 HA THR 95 HA THR 95 5.989 8.407 8.407 713 HB THR 95 HB THR 95 4.338 7.499 7.499 714 HG1 THR 95 HG1 THR 95 5.456 6.353 6.353 715 1HG2 THR 95 2HG2 THR 95 7.406 7.833 7.833 716 2HG2 THR 95 1HG2 THR 95 6.687 7.245 7.245 717 3HG2 THR 95 3HG2 THR 95 6.508 8.916 8.916 718 H ASN 96 H ASN 96 3.483 9.755 9.755 719 HA ASN 96 HA ASN 96 4.919 11.799 11.799 720 1HB ASN 96 2HB ASN 96 2.068 12.021 12.021 721 2HB ASN 96 1HB ASN 96 2.789 13.213 13.213 722 1HD2 ASN 96 2HD2 ASN 96 1.469 9.733 9.733 723 2HD2 ASN 96 1HD2 ASN 96 1.434 9.993 9.993 724 H ILE 97 H ILE 97 3.219 12.156 12.156 725 HA ILE 97 HA ILE 97 4.269 14.809 14.809 726 HB ILE 97 HB ILE 97 2.286 13.856 13.856 727 1HG1 ILE 97 2HG1 ILE 97 4.218 14.542 14.542 728 2HG1 ILE 97 1HG1 ILE 97 3.808 15.770 15.770 729 1HG2 ILE 97 2HG2 ILE 97 4.265 12.129 12.129 730 2HG2 ILE 97 1HG2 ILE 97 2.574 12.327 12.327 731 3HG2 ILE 97 3HG2 ILE 97 3.010 11.616 11.616 732 1HD1 ILE 97 1HD1 ILE 97 1.753 14.175 14.175 733 2HD1 ILE 97 3HD1 ILE 97 2.177 15.847 15.847 734 3HD1 ILE 97 2HD1 ILE 97 1.381 15.394 15.394 735 H THR 98 H THR 98 5.462 11.609 11.609 736 HA THR 98 HA THR 98 7.547 12.065 12.065 737 HB THR 98 HB THR 98 7.971 10.486 10.486 738 HG1 THR 98 HG1 THR 98 6.169 9.831 9.831 739 1HG2 THR 98 1HG2 THR 98 10.073 10.774 10.774 740 2HG2 THR 98 3HG2 THR 98 9.207 9.956 9.956 741 3HG2 THR 98 2HG2 THR 98 9.500 9.134 9.134 742 H ARG 99 H ARG 99 7.911 12.514 12.514 743 HA ARG 99 HA ARG 99 10.481 13.790 13.790 744 1HB ARG 99 2HB ARG 99 9.418 12.623 12.623 745 2HB ARG 99 1HB ARG 99 8.639 14.166 14.166 746 1HG ARG 99 2HG ARG 99 11.099 15.155 15.155 747 2HG ARG 99 1HG ARG 99 11.606 13.505 13.505 748 1HD ARG 99 2HD ARG 99 11.599 14.271 14.271 749 2HD ARG 99 1HD ARG 99 9.984 13.674 13.674 750 HE ARG 99 HE ARG 99 9.109 15.885 15.885 751 1HH1 ARG 99 2HH1 ARG 99 12.501 15.773 15.773 752 2HH1 ARG 99 1HH1 ARG 99 12.615 17.375 17.375 753 1HH2 ARG 99 1HH2 ARG 99 9.225 18.069 18.069 754 2HH2 ARG 99 2HH2 ARG 99 10.721 18.729 18.729 755 H ASP 100 H ASP 100 7.257 15.086 15.086 756 HA ASP 100 HA ASP 100 7.894 17.811 17.811 757 1HB ASP 100 2HB ASP 100 5.553 16.556 16.556 758 2HB ASP 100 1HB ASP 100 5.450 16.940 16.940 759 H GLN 101 H GLN 101 6.992 16.164 16.164 760 HA GLN 101 HA GLN 101 7.488 18.252 18.252 761 1HB GLN 101 2HB GLN 101 6.358 15.660 15.660 762 2HB GLN 101 1HB GLN 101 7.769 15.470 15.470 763 1HG GLN 101 2HG GLN 101 6.288 16.277 16.277 764 2HG GLN 101 1HG GLN 101 6.768 17.830 17.830 765 1HE2 GLN 101 2HE2 GLN 101 2.948 17.097 17.097 766 2HE2 GLN 101 1HE2 GLN 101 4.019 16.301 16.301 767 H LYS 102 H LYS 102 9.386 15.454 15.454 768 HA LYS 102 HA LYS 102 11.643 15.749 15.749 769 1HB LYS 102 2HB LYS 102 11.393 13.797 13.797 770 2HB LYS 102 1HB LYS 102 11.550 14.909 14.909 771 1HG LYS 102 2HG LYS 102 13.827 14.909 14.909 772 2HG LYS 102 1HG LYS 102 13.614 13.423 13.423 773 1HD LYS 102 2HD LYS 102 13.992 14.419 14.419 774 2HD LYS 102 1HD LYS 102 13.612 16.034 16.034 775 1HE LYS 102 2HE LYS 102 16.063 14.432 14.432 776 2HE LYS 102 1HE LYS 102 16.095 15.612 15.612 777 1HZ LYS 102 3HZ LYS 102 14.881 16.804 16.804 778 2HZ LYS 102 2HZ LYS 102 16.314 16.061 16.061 779 3HZ LYS 102 1HZ LYS 102 16.340 17.235 17.235 780 H VAL 103 H VAL 103 10.543 17.644 17.644 781 HA VAL 103 HA VAL 103 13.094 19.221 19.221 782 HB VAL 103 HB VAL 103 10.797 19.221 19.221 783 1HG1 VAL 103 3HG1 VAL 103 13.588 20.476 20.476 784 2HG1 VAL 103 2HG1 VAL 103 12.391 20.468 20.468 785 3HG1 VAL 103 1HG1 VAL 103 12.085 21.360 21.360 786 1HG2 VAL 103 1HG2 VAL 103 12.029 17.070 17.070 787 2HG2 VAL 103 3HG2 VAL 103 12.345 17.920 17.920 788 3HG2 VAL 103 2HG2 VAL 103 13.548 17.919 17.919 789 H LEU 104 H LEU 104 9.753 19.430 19.430 790 HA LEU 104 HA LEU 104 9.724 22.302 22.302 791 1HB LEU 104 2HB LEU 104 7.736 20.827 20.827 792 2HB LEU 104 1HB LEU 104 7.746 20.300 20.300 793 HG LEU 104 HG LEU 104 7.385 22.670 22.670 794 1HD1 LEU 104 3HD1 LEU 104 7.047 23.218 23.218 795 2HD1 LEU 104 2HD1 LEU 104 6.693 24.356 24.356 796 3HD1 LEU 104 1HD1 LEU 104 8.341 23.853 23.853 797 1HD2 LEU 104 3HD2 LEU 104 5.340 21.579 21.579 798 2HD2 LEU 104 2HD2 LEU 104 5.473 21.121 21.121 799 3HD2 LEU 104 1HD2 LEU 104 4.999 22.762 22.762 800 H ASN 105 H ASN 105 10.064 19.835 19.835 801 HA ASN 105 HA ASN 105 10.666 22.239 22.239 802 1HB ASN 105 2HB ASN 105 8.228 21.474 21.474 803 2HB ASN 105 1HB ASN 105 8.889 20.030 20.030 804 1HD2 ASN 105 2HD2 ASN 105 8.613 23.137 23.137 805 2HD2 ASN 105 1HD2 ASN 105 7.812 23.081 23.081 806 HA PRO 106 HA PRO 106 14.307 20.200 20.200 807 1HB PRO 106 2HB PRO 106 14.569 21.495 21.495 808 2HB PRO 106 1HB PRO 106 15.073 22.185 22.185 809 1HG PRO 106 2HG PRO 106 12.394 22.552 22.552 810 2HG PRO 106 1HG PRO 106 13.445 23.801 23.801 811 1HD PRO 106 2HD PRO 106 11.383 23.009 23.009 812 2HD PRO 106 1HD PRO 106 12.923 23.113 23.113 813 H SER 107 H SER 107 11.407 20.110 20.110 814 HA SER 107 HA SER 107 12.219 17.798 17.798 815 1HB SER 107 2HB SER 107 10.915 19.792 19.792 816 2HB SER 107 1HB SER 107 9.516 19.256 19.256 817 HG SER 107 HG SER 107 10.297 18.211 18.211 818 H ALA 108 H ALA 108 10.058 18.880 18.880 819 HA ALA 108 HA ALA 108 8.358 16.632 16.632 820 1HB ALA 108 3HB ALA 108 9.696 18.163 18.163 821 2HB ALA 108 2HB ALA 108 8.444 16.970 16.970 822 3HB ALA 108 1HB ALA 108 8.079 18.475 18.475 823 H VAL 109 H VAL 109 11.654 17.228 17.228 824 HA VAL 109 HA VAL 109 12.315 15.037 15.037 825 HB VAL 109 HB VAL 109 14.612 15.148 15.148 826 1HG1 VAL 109 2HG1 VAL 109 13.991 17.021 17.021 827 2HG1 VAL 109 1HG1 VAL 109 13.406 17.952 17.952 828 3HG1 VAL 109 3HG1 VAL 109 15.113 17.579 17.579 829 1HG2 VAL 109 3HG2 VAL 109 13.416 16.741 16.741 830 2HG2 VAL 109 2HG2 VAL 109 14.191 15.176 15.176 831 3HG2 VAL 109 1HG2 VAL 109 15.138 16.585 16.585 832 H SER 110 H SER 110 11.920 15.172 15.172 833 HA SER 110 HA SER 110 12.604 12.396 12.396 834 1HB SER 110 2HB SER 110 12.604 14.075 14.075 835 2HB SER 110 1HB SER 110 10.900 14.440 14.440 836 HG SER 110 HG SER 110 10.444 12.760 12.760 837 H LEU 111 H LEU 111 9.547 14.104 14.104 838 HA LEU 111 HA LEU 111 7.677 12.075 12.075 839 1HB LEU 111 2HB LEU 111 6.868 14.244 14.244 840 2HB LEU 111 1HB LEU 111 7.780 14.589 14.589 841 HG LEU 111 HG LEU 111 5.441 12.650 12.650 842 1HD1 LEU 111 1HD1 LEU 111 5.549 15.676 15.676 843 2HD1 LEU 111 3HD1 LEU 111 4.130 14.683 14.683 844 3HD1 LEU 111 2HD1 LEU 111 4.780 14.802 14.802 845 1HD2 LEU 111 1HD2 LEU 111 6.748 14.296 14.296 846 2HD2 LEU 111 3HD2 LEU 111 6.826 12.568 12.568 847 3HD2 LEU 111 2HD2 LEU 111 5.306 13.321 13.321 848 H HIS 112 H HIS 112 9.112 13.005 13.005 849 HA HIS 112 HA HIS 112 7.989 10.883 10.883 850 1HB HIS 112 2HB HIS 112 9.303 11.735 11.735 851 2HB HIS 112 1HB HIS 112 9.514 13.025 13.025 852 HD1 HIS 112 HD1 HIS 112 11.545 9.801 9.801 853 HD2 HIS 112 HD2 HIS 112 11.811 13.860 13.860 854 HE1 HIS 112 HE1 HIS 112 13.964 10.323 10.323 855 H SER 113 H SER 113 11.197 10.924 10.924 856 HA SER 113 HA SER 113 12.207 8.422 8.422 857 1HB SER 113 2HB SER 113 13.110 10.110 10.110 858 2HB SER 113 1HB SER 113 11.904 9.484 9.484 859 HG SER 113 HG SER 113 14.251 8.364 8.364 860 H LYS 114 H LYS 114 9.717 9.065 9.065 861 HA LYS 114 HA LYS 114 9.150 6.312 6.312 862 1HB LYS 114 2HB LYS 114 7.288 8.729 8.729 863 2HB LYS 114 1HB LYS 114 6.877 7.154 7.154 864 1HG LYS 114 2HG LYS 114 9.140 7.362 7.362 865 2HG LYS 114 1HG LYS 114 9.063 9.070 9.070 866 1HD LYS 114 2HD LYS 114 6.835 9.265 9.265 867 2HD LYS 114 1HD LYS 114 6.826 7.535 7.535 868 1HE LYS 114 2HE LYS 114 8.965 7.961 7.961 869 2HE LYS 114 1HE LYS 114 8.650 9.679 9.679 870 1HZ LYS 114 1HZ LYS 114 6.272 8.423 8.423 871 2HZ LYS 114 3HZ LYS 114 7.538 7.994 7.994 872 3HZ LYS 114 2HZ LYS 114 7.180 9.643 9.643 873 H LEU 115 H LEU 115 7.447 8.456 8.456 874 HA LEU 115 HA LEU 115 5.614 6.569 6.569 875 1HB LEU 115 2HB LEU 115 6.958 8.932 8.932 876 2HB LEU 115 1HB LEU 115 5.783 7.921 7.921 877 HG LEU 115 HG LEU 115 4.154 8.420 8.420 878 1HD1 LEU 115 3HD1 LEU 115 6.180 10.562 10.562 879 2HD1 LEU 115 2HD1 LEU 115 4.563 10.481 10.481 880 3HD1 LEU 115 1HD1 LEU 115 5.726 9.237 9.237 881 1HD2 LEU 115 2HD2 LEU 115 4.045 9.566 9.566 882 2HD2 LEU 115 1HD2 LEU 115 3.524 10.636 10.636 883 3HD2 LEU 115 3HD2 LEU 115 5.132 10.807 10.807 884 H ASN 116 H ASN 116 8.994 7.106 7.106 885 HA ASN 116 HA ASN 116 9.188 5.521 5.521 886 1HB ASN 116 2HB ASN 116 11.275 5.696 5.696 887 2HB ASN 116 1HB ASN 116 11.539 4.927 4.927 888 1HD2 ASN 116 2HD2 ASN 116 12.370 7.907 7.907 889 2HD2 ASN 116 1HD2 ASN 116 12.324 6.204 6.204 890 H ALA 117 H ALA 117 9.564 4.638 4.638 891 HA ALA 117 HA ALA 117 9.963 1.909 1.909 892 1HB ALA 117 3HB ALA 117 8.413 2.933 2.933 893 2HB ALA 117 2HB ALA 117 8.991 1.289 1.289 894 3HB ALA 117 1HB ALA 117 10.151 2.599 2.599 895 H THR 118 H THR 118 6.874 3.376 3.376 896 HA THR 118 HA THR 118 5.200 1.215 1.215 897 HB THR 118 HB THR 118 3.498 3.197 3.197 898 HG1 THR 118 HG1 THR 118 5.641 4.415 4.415 899 1HG2 THR 118 2HG2 THR 118 4.869 3.263 3.263 900 2HG2 THR 118 1HG2 THR 118 3.310 3.975 3.975 901 3HG2 THR 118 3HG2 THR 118 3.495 2.235 2.235 902 H ILE 119 H ILE 119 6.430 3.317 3.317 903 HA ILE 119 HA ILE 119 4.868 1.953 1.953 904 HB ILE 119 HB ILE 119 6.998 4.077 4.077 905 1HG1 ILE 119 2HG1 ILE 119 4.788 4.479 4.479 906 2HG1 ILE 119 1HG1 ILE 119 4.134 3.885 3.885 907 1HG2 ILE 119 2HG2 ILE 119 6.169 2.596 2.596 908 2HG2 ILE 119 1HG2 ILE 119 7.102 4.088 4.088 909 3HG2 ILE 119 3HG2 ILE 119 7.781 2.606 2.606 910 1HD1 ILE 119 1HD1 ILE 119 5.947 6.341 6.341 911 2HD1 ILE 119 3HD1 ILE 119 4.210 6.284 6.284 912 3HD1 ILE 119 2HD1 ILE 119 5.062 5.661 5.661 913 H ASP 120 H ASP 120 8.354 1.946 1.946 914 HA ASP 120 HA ASP 120 9.098 -0.028 -0.028 915 1HB ASP 120 2HB ASP 120 10.658 1.463 1.463 916 2HB ASP 120 1HB ASP 120 10.384 0.318 0.318 917 H VAL 121 H VAL 121 7.850 -0.414 -0.414 918 HA VAL 121 HA VAL 121 8.149 -3.324 -3.324 919 HB VAL 121 HB VAL 121 7.234 -3.143 -3.143 920 1HG1 VAL 121 2HG1 VAL 121 8.970 -0.740 -0.740 921 2HG1 VAL 121 1HG1 VAL 121 8.619 -1.447 -1.447 922 3HG1 VAL 121 3HG1 VAL 121 9.480 -2.370 -2.370 923 1HG2 VAL 121 1HG2 VAL 121 6.183 -0.426 -0.426 924 2HG2 VAL 121 3HG2 VAL 121 5.224 -1.842 -1.842 925 3HG2 VAL 121 2HG2 VAL 121 6.158 -1.126 -1.126 926 H MET 122 H MET 122 5.423 -1.017 -1.017 927 HA MET 122 HA MET 122 3.488 -3.137 -3.137 928 1HB MET 122 2HB MET 122 1.913 -1.491 -1.491 929 2HB MET 122 1HB MET 122 2.945 -0.639 -0.639 930 1HG MET 122 2HG MET 122 2.641 0.867 0.867 931 2HG MET 122 1HG MET 122 4.194 0.161 0.161 932 1HE MET 122 1HE MET 122 4.972 -0.012 -0.012 933 2HE MET 122 3HE MET 122 3.880 0.236 0.236 934 3HE MET 122 2HE MET 122 4.013 1.477 1.477 935 H ARG 123 H ARG 123 5.692 -1.595 -1.595 936 HA ARG 123 HA ARG 123 4.829 -2.278 -2.278 937 1HB ARG 123 2HB ARG 123 7.444 -1.936 -1.936 938 2HB ARG 123 1HB ARG 123 7.581 -3.279 -3.279 939 1HG ARG 123 2HG ARG 123 6.591 -0.547 -0.547 940 2HG ARG 123 1HG ARG 123 8.283 -0.982 -0.982 941 1HD ARG 123 2HD ARG 123 7.817 -2.838 -2.838 942 2HD ARG 123 1HD ARG 123 6.119 -2.351 -2.351 943 HE ARG 123 HE ARG 123 7.319 -0.015 -0.015 944 1HH1 ARG 123 2HH1 ARG 123 8.144 -3.100 -3.100 945 2HH1 ARG 123 1HH1 ARG 123 8.840 -2.491 -2.491 946 1HH2 ARG 123 1HH2 ARG 123 8.179 0.866 0.866 947 2HH2 ARG 123 2HH2 ARG 123 8.879 -0.080 -0.080 948 H GLY 124 H GLY 124 6.268 -4.184 -4.184 949 1HA GLY 124 2HA GLY 124 6.128 -6.761 -6.761 950 2HA GLY 124 1HA GLY 124 6.312 -6.470 -6.470 951 H LEU 125 H LEU 125 4.135 -5.418 -5.418 952 HA LEU 125 HA LEU 125 2.109 -7.276 -7.276 953 1HB LEU 125 2HB LEU 125 1.659 -4.268 -4.268 954 2HB LEU 125 1HB LEU 125 0.485 -5.378 -5.378 955 HG LEU 125 HG LEU 125 3.272 -4.980 -4.980 956 1HD1 LEU 125 2HD1 LEU 125 0.546 -3.940 -3.940 957 2HD1 LEU 125 1HD1 LEU 125 2.062 -3.769 -3.769 958 3HD1 LEU 125 3HD1 LEU 125 1.818 -2.921 -2.921 959 1HD2 LEU 125 1HD2 LEU 125 0.790 -6.404 -6.404 960 2HD2 LEU 125 3HD2 LEU 125 2.284 -7.173 -7.173 961 3HD2 LEU 125 2HD2 LEU 125 2.281 -6.143 -6.143 962 H LEU 126 H LEU 126 2.232 -4.850 -4.850 963 HA LEU 126 HA LEU 126 -0.133 -5.705 -5.705 964 1HB LEU 126 2HB LEU 126 2.226 -3.945 -3.945 965 2HB LEU 126 1HB LEU 126 0.860 -4.102 -4.102 966 HG LEU 126 HG LEU 126 1.193 -2.583 -2.583 967 1HD1 LEU 126 3HD1 LEU 126 0.516 -1.578 -1.578 968 2HD1 LEU 126 2HD1 LEU 126 -0.933 -2.581 -2.581 969 3HD1 LEU 126 1HD1 LEU 126 -0.694 -1.316 -1.316 970 1HD2 LEU 126 1HD2 LEU 126 -1.416 -4.017 -4.017 971 2HD2 LEU 126 3HD2 LEU 126 -0.412 -4.274 -4.274 972 3HD2 LEU 126 2HD2 LEU 126 -1.178 -2.733 -2.733 973 H SER 127 H SER 127 3.283 -5.962 -5.962 974 HA SER 127 HA SER 127 2.868 -7.580 -7.580 975 1HB SER 127 2HB SER 127 5.213 -7.643 -7.643 976 2HB SER 127 1HB SER 127 5.248 -8.302 -8.302 977 HG SER 127 HG SER 127 5.028 -5.646 -5.646 978 H ASN 128 H ASN 128 2.906 -8.293 -8.293 979 HA ASN 128 HA ASN 128 2.837 -11.183 -11.183 980 1HB ASN 128 2HB ASN 128 2.206 -9.179 -9.179 981 2HB ASN 128 1HB ASN 128 1.968 -10.890 -10.890 982 1HD2 ASN 128 2HD2 ASN 128 5.851 -9.851 -9.851 983 2HD2 ASN 128 1HD2 ASN 128 4.670 -9.136 -9.136 984 H VAL 129 H VAL 129 0.427 -8.552 -8.552 985 HA VAL 129 HA VAL 129 -1.783 -10.370 -10.370 986 HB VAL 129 HB VAL 129 -1.389 -7.538 -7.538 987 1HG1 VAL 129 2HG1 VAL 129 -3.934 -9.062 -9.062 988 2HG1 VAL 129 1HG1 VAL 129 -3.953 -7.327 -7.327 989 3HG1 VAL 129 3HG1 VAL 129 -2.957 -8.114 -8.114 990 1HG2 VAL 129 2HG2 VAL 129 -3.423 -8.877 -8.877 991 2HG2 VAL 129 1HG2 VAL 129 -1.917 -8.103 -8.103 992 3HG2 VAL 129 3HG2 VAL 129 -3.224 -7.145 -7.145 993 H LEU 130 H LEU 130 -0.625 -8.664 -8.664 994 HA LEU 130 HA LEU 130 -2.239 -10.085 -10.085 995 1HB LEU 130 2HB LEU 130 0.136 -8.351 -8.351 996 2HB LEU 130 1HB LEU 130 0.137 -9.581 -9.581 997 HG LEU 130 HG LEU 130 -1.060 -7.471 -7.471 998 1HD1 LEU 130 1HD1 LEU 130 -1.669 -9.673 -9.673 999 2HD1 LEU 130 3HD1 LEU 130 -2.889 -9.919 -9.919 1000 3HD1 LEU 130 2HD1 LEU 130 -3.038 -8.599 -8.599 1001 1HD2 LEU 130 2HD2 LEU 130 -2.113 -6.909 -6.909 1002 2HD2 LEU 130 1HD2 LEU 130 -3.266 -6.942 -6.942 1003 3HD2 LEU 130 3HD2 LEU 130 -3.194 -8.272 -8.272 1004 H CYS 131 H CYS 131 0.971 -10.839 -10.839 1005 HA CYS 131 HA CYS 131 1.630 -13.051 -13.051 1006 1HB CYS 131 2HB CYS 131 3.186 -12.111 -12.111 1007 2HB CYS 131 1HB CYS 131 2.169 -12.668 -12.668 1008 H ARG 132 H ARG 132 -0.387 -12.871 -12.871 1009 HA ARG 132 HA ARG 132 -0.936 -15.782 -15.782 1010 1HB ARG 132 2HB ARG 132 -0.870 -14.803 -14.803 1011 2HB ARG 132 1HB ARG 132 -2.178 -13.691 -13.691 1012 1HG ARG 132 2HG ARG 132 -3.475 -15.917 -15.917 1013 2HG ARG 132 1HG ARG 132 -2.166 -16.726 -16.726 1014 1HD ARG 132 2HD ARG 132 -2.890 -16.040 -16.040 1015 2HD ARG 132 1HD ARG 132 -3.724 -14.596 -14.596 1016 HE ARG 132 HE ARG 132 -4.823 -16.904 -16.904 1017 1HH1 ARG 132 2HH1 ARG 132 -4.829 -15.368 -15.368 1018 2HH1 ARG 132 1HH1 ARG 132 -6.368 -16.024 -16.024 1019 1HH2 ARG 132 1HH2 ARG 132 -6.739 -17.720 -17.720 1020 2HH2 ARG 132 2HH2 ARG 132 -7.500 -17.316 -17.316 1021 H LEU 133 H LEU 133 -2.963 -12.853 -12.853 1022 HA LEU 133 HA LEU 133 -5.427 -13.539 -13.539 1023 1HB LEU 133 2HB LEU 133 -3.834 -11.361 -11.361 1024 2HB LEU 133 1HB LEU 133 -4.428 -11.903 -11.903 1025 HG LEU 133 HG LEU 133 -6.775 -11.785 -11.785 1026 1HD1 LEU 133 3HD1 LEU 133 -5.547 -10.793 -10.793 1027 2HD1 LEU 133 2HD1 LEU 133 -7.256 -10.779 -10.779 1028 3HD1 LEU 133 1HD1 LEU 133 -6.436 -12.286 -12.286 1029 1HD2 LEU 133 1HD2 LEU 133 -5.657 -9.778 -9.778 1030 2HD2 LEU 133 3HD2 LEU 133 -6.890 -9.407 -9.407 1031 3HD2 LEU 133 2HD2 LEU 133 -5.205 -9.299 -9.299 1032 H CYS 134 H CYS 134 -3.328 -13.735 -13.735 1033 HA CYS 134 HA CYS 134 -5.062 -14.818 -14.818 1034 1HB CYS 134 2HB CYS 134 -2.233 -15.606 -15.606 1035 2HB CYS 134 1HB CYS 134 -3.046 -16.293 -16.293 1036 H ASN 135 H ASN 135 -3.668 -16.407 -16.407 1037 HA ASN 135 HA ASN 135 -3.985 -19.027 -19.027 1038 1HB ASN 135 2HB ASN 135 -3.637 -17.742 -17.742 1039 2HB ASN 135 1HB ASN 135 -5.085 -16.799 -16.799 1040 1HD2 ASN 135 2HD2 ASN 135 -6.146 -20.468 -20.468 1041 2HD2 ASN 135 1HD2 ASN 135 -5.474 -20.274 -20.274 1042 H LYS 136 H LYS 136 -6.722 -16.925 -16.925 1043 HA LYS 136 HA LYS 136 -8.356 -18.808 -18.808 1044 1HB LYS 136 2HB LYS 136 -9.086 -17.731 -17.731 1045 2HB LYS 136 1HB LYS 136 -10.304 -18.374 -18.374 1046 1HG LYS 136 2HG LYS 136 -8.777 -20.532 -20.532 1047 2HG LYS 136 1HG LYS 136 -7.964 -19.850 -19.850 1048 1HD LYS 136 2HD LYS 136 -9.908 -19.831 -19.831 1049 2HD LYS 136 1HD LYS 136 -10.985 -20.223 -20.223 1050 1HE LYS 136 2HE LYS 136 -8.790 -22.139 -22.139 1051 2HE LYS 136 1HE LYS 136 -10.427 -22.164 -22.164 1052 1HZ LYS 136 1HZ LYS 136 -10.636 -22.211 -22.211 1053 2HZ LYS 136 3HZ LYS 136 -9.426 -23.320 -23.320 1054 3HZ LYS 136 2HZ LYS 136 -10.972 -23.467 -23.467 1055 H TYR 137 H TYR 137 -7.106 -16.026 -16.026 1056 HA TYR 137 HA TYR 137 -9.437 -14.663 -14.663 1057 1HB TYR 137 2HB TYR 137 -7.348 -13.308 -13.308 1058 2HB TYR 137 1HB TYR 137 -8.815 -12.565 -12.565 1059 HD1 TYR 137 HD2 TYR 137 -10.983 -14.180 -14.180 1060 HD2 TYR 137 HD1 TYR 137 -7.432 -13.794 -13.794 1061 HE1 TYR 137 HE2 TYR 137 -12.208 -14.846 -14.846 1062 HE2 TYR 137 HE1 TYR 137 -8.618 -14.449 -14.449 1063 HH TYR 137 HH TYR 137 -11.824 -15.773 -15.773 1064 H ARG 138 H ARG 138 -7.763 -16.094 -16.094 1065 HA ARG 138 HA ARG 138 -5.619 -14.229 -14.229 1066 1HB ARG 138 2HB ARG 138 -4.838 -16.144 -16.144 1067 2HB ARG 138 1HB ARG 138 -4.904 -16.575 -16.575 1068 1HG ARG 138 2HG ARG 138 -6.976 -17.829 -17.829 1069 2HG ARG 138 1HG ARG 138 -7.131 -17.277 -17.277 1070 1HD ARG 138 2HD ARG 138 -4.718 -18.351 -18.351 1071 2HD ARG 138 1HD ARG 138 -5.140 -19.199 -19.199 1072 HE ARG 138 HE ARG 138 -6.756 -19.237 -19.237 1073 1HH1 ARG 138 2HH1 ARG 138 -5.665 -20.896 -20.896 1074 2HH1 ARG 138 1HH1 ARG 138 -6.430 -22.365 -22.365 1075 1HH2 ARG 138 1HH2 ARG 138 -7.750 -21.073 -21.073 1076 2HH2 ARG 138 2HH2 ARG 138 -7.667 -22.480 -22.480 1077 H VAL 139 H VAL 139 -7.783 -13.166 -13.166 1078 HA VAL 139 HA VAL 139 -8.832 -13.724 -13.724 1079 HB VAL 139 HB VAL 139 -10.518 -13.656 -13.656 1080 1HG1 VAL 139 2HG1 VAL 139 -9.298 -12.283 -12.283 1081 2HG1 VAL 139 1HG1 VAL 139 -9.559 -10.851 -10.851 1082 3HG1 VAL 139 3HG1 VAL 139 -10.912 -11.709 -11.709 1083 1HG2 VAL 139 2HG2 VAL 139 -11.186 -12.670 -12.670 1084 2HG2 VAL 139 1HG2 VAL 139 -11.985 -11.848 -11.848 1085 3HG2 VAL 139 3HG2 VAL 139 -10.627 -11.088 -11.088 1086 H GLY 140 H GLY 140 -7.791 -10.958 -10.958 1087 1HA GLY 140 2HA GLY 140 -6.065 -9.411 -9.411 1088 2HA GLY 140 1HA GLY 140 -6.628 -9.769 -9.769 1089 H HIS 141 H HIS 141 -8.381 -8.904 -8.904 1090 HA HIS 141 HA HIS 141 -9.388 -6.456 -6.456 1091 1HB HIS 141 2HB HIS 141 -11.630 -6.922 -6.922 1092 2HB HIS 141 1HB HIS 141 -11.093 -8.318 -8.318 1093 HD1 HIS 141 HD1 HIS 141 -12.934 -9.333 -9.333 1094 HD2 HIS 141 HD2 HIS 141 -9.225 -8.452 -8.452 1095 HE1 HIS 141 HE1 HIS 141 -12.723 -10.595 -10.595 1096 H VAL 142 H VAL 142 -7.351 -6.925 -6.925 1097 HA VAL 142 HA VAL 142 -8.732 -5.523 -5.523 1098 HB VAL 142 HB VAL 142 -7.390 -7.182 -7.182 1099 1HG1 VAL 142 2HG1 VAL 142 -5.095 -6.635 -6.635 1100 2HG1 VAL 142 1HG1 VAL 142 -5.101 -7.798 -7.798 1101 3HG1 VAL 142 3HG1 VAL 142 -6.205 -7.996 -7.996 1102 1HG2 VAL 142 1HG2 VAL 142 -6.778 -5.077 -5.077 1103 2HG2 VAL 142 3HG2 VAL 142 -5.424 -6.171 -6.171 1104 3HG2 VAL 142 2HG2 VAL 142 -5.441 -4.805 -4.805 1105 H ASP 143 H ASP 143 -5.575 -4.936 -4.936 1106 HA ASP 143 HA ASP 143 -4.307 -3.090 -3.090 1107 1HB ASP 143 2HB ASP 143 -5.486 -3.301 -3.301 1108 2HB ASP 143 1HB ASP 143 -6.729 -2.195 -2.195 1109 H VAL 144 H VAL 144 -3.828 -1.199 -1.199 1110 HA VAL 144 HA VAL 144 -5.390 0.731 0.731 1111 HB VAL 144 HB VAL 144 -3.335 1.045 1.045 1112 1HG1 VAL 144 3HG1 VAL 144 -5.384 -0.273 -0.273 1113 2HG1 VAL 144 2HG1 VAL 144 -4.693 -1.713 -1.713 1114 3HG1 VAL 144 1HG1 VAL 144 -3.959 -1.013 -1.013 1115 1HG2 VAL 144 1HG2 VAL 144 -1.717 -0.081 -0.081 1116 2HG2 VAL 144 3HG2 VAL 144 -1.651 -0.801 -0.801 1117 3HG2 VAL 144 2HG2 VAL 144 -2.517 -1.607 -1.607 1118 HA PRO 145 HA PRO 145 -3.237 3.316 3.316 1119 1HB PRO 145 2HB PRO 145 -5.244 5.244 5.244 1120 2HB PRO 145 1HB PRO 145 -5.243 3.785 3.785 1121 1HG PRO 145 2HG PRO 145 -6.587 4.192 4.192 1122 2HG PRO 145 1HG PRO 145 -7.342 3.620 3.620 1123 1HD PRO 145 2HD PRO 145 -6.516 1.783 1.783 1124 2HD PRO 145 1HD PRO 145 -6.080 1.514 1.514 1125 HA PRO 146 HA PRO 146 -1.887 6.240 6.240 1126 1HB PRO 146 2HB PRO 146 -0.331 7.872 7.872 1127 2HB PRO 146 1HB PRO 146 0.013 6.139 6.139 1128 1HG PRO 146 2HG PRO 146 -1.503 7.755 7.755 1129 2HG PRO 146 1HG PRO 146 -0.210 6.584 6.584 1130 1HD PRO 146 2HD PRO 146 -2.953 5.915 5.915 1131 2HD PRO 146 1HD PRO 146 -1.668 4.745 4.745 1132 H VAL 147 H VAL 147 -3.918 7.478 7.478 1133 HA VAL 147 HA VAL 147 -4.326 10.080 10.080 1134 HB VAL 147 HB VAL 147 -6.600 8.232 8.232 1135 1HG1 VAL 147 2HG1 VAL 147 -6.638 10.895 10.895 1136 2HG1 VAL 147 1HG1 VAL 147 -8.030 9.863 9.863 1137 3HG1 VAL 147 3HG1 VAL 147 -7.229 10.630 10.630 1138 1HG2 VAL 147 3HG2 VAL 147 -5.545 8.920 8.920 1139 2HG2 VAL 147 2HG2 VAL 147 -5.422 7.343 7.343 1140 3HG2 VAL 147 1HG2 VAL 147 -6.990 7.985 7.985 1141 HA PRO 148 HA PRO 148 -4.448 10.973 10.973 1142 1HB PRO 148 2HB PRO 148 -3.063 13.290 13.290 1143 2HB PRO 148 1HB PRO 148 -2.225 11.746 11.746 1144 1HG PRO 148 2HG PRO 148 -3.140 13.689 13.689 1145 2HG PRO 148 1HG PRO 148 -1.532 12.990 12.990 1146 1HD PRO 148 2HD PRO 148 -3.395 11.874 11.874 1147 2HD PRO 148 1HD PRO 148 -2.225 10.850 10.850 1148 H ASP 149 H ASP 149 -6.123 11.879 11.879 1149 HA ASP 149 HA ASP 149 -7.598 14.091 14.091 1150 1HB ASP 149 2HB ASP 149 -8.656 11.547 11.547 1151 2HB ASP 149 1HB ASP 149 -9.698 12.916 12.916 1152 H HIS 150 H HIS 150 -6.214 15.389 15.389 1153 HA HIS 150 HA HIS 150 -7.466 15.673 15.673 1154 1HB HIS 150 2HB HIS 150 -4.576 16.465 16.465 1155 2HB HIS 150 1HB HIS 150 -5.314 16.198 16.198 1156 HD1 HIS 150 HD1 HIS 150 -3.372 14.427 14.427 1157 HD2 HIS 150 HD2 HIS 150 -6.307 13.360 13.360 1158 HE1 HIS 150 HE1 HIS 150 -3.205 11.975 11.975 1159 H SER 151 H SER 151 -8.216 16.879 16.879 1160 HA SER 151 HA SER 151 -7.377 19.731 19.731 1161 1HB SER 151 2HB SER 151 -7.551 18.682 18.682 1162 2HB SER 151 1HB SER 151 -9.301 18.490 18.490 1163 HG SER 151 HG SER 151 -9.478 20.693 20.693 1164 H ASP 152 H ASP 152 -8.670 18.761 18.761 1165 HA ASP 152 HA ASP 152 -11.431 19.931 19.931 1166 1HB ASP 152 2HB ASP 152 -11.503 17.612 17.612 1167 2HB ASP 152 1HB ASP 152 -10.301 17.961 17.961 1168 H LYS 153 H LYS 153 -8.488 19.968 19.968 1169 HA LYS 153 HA LYS 153 -9.291 22.601 22.601 1170 1HB LYS 153 2HB LYS 153 -7.872 20.262 20.262 1171 2HB LYS 153 1HB LYS 153 -8.206 21.809 21.809 1172 1HG LYS 153 2HG LYS 153 -10.358 20.008 20.008 1173 2HG LYS 153 1HG LYS 153 -9.897 19.965 19.965 1174 1HD LYS 153 2HD LYS 153 -10.613 22.233 22.233 1175 2HD LYS 153 1HD LYS 153 -10.812 22.598 22.598 1176 1HE LYS 153 2HE LYS 153 -12.513 20.513 20.513 1177 2HE LYS 153 1HE LYS 153 -12.981 22.202 22.202 1178 1HZ LYS 153 1HZ LYS 153 -12.278 21.227 21.227 1179 2HZ LYS 153 3HZ LYS 153 -13.245 20.114 20.114 1180 3HZ LYS 153 2HZ LYS 153 -13.809 21.684 21.684 1181 H GLU 154 H GLU 154 -7.434 24.039 24.039 1182 HA GLU 154 HA GLU 154 -5.344 23.364 23.364 1183 1HB GLU 154 2HB GLU 154 -4.946 26.062 26.062 1184 2HB GLU 154 1HB GLU 154 -5.648 25.500 25.500 1185 1HG GLU 154 2HG GLU 154 -7.212 27.035 27.035 1186 2HG GLU 154 1HG GLU 154 -7.920 25.438 25.438 1187 H VAL 155 H VAL 155 -4.863 25.367 25.367 1188 HA VAL 155 HA VAL 155 -2.141 24.646 24.646 1189 HB VAL 155 HB VAL 155 -2.413 25.663 25.663 1190 1HG1 VAL 155 3HG1 VAL 155 -2.181 27.186 27.186 1191 2HG1 VAL 155 2HG1 VAL 155 -3.924 27.182 27.182 1192 3HG1 VAL 155 1HG1 VAL 155 -3.217 27.905 27.905 1193 1HG2 VAL 155 2HG2 VAL 155 -5.398 25.726 25.726 1194 2HG2 VAL 155 1HG2 VAL 155 -4.659 24.740 24.740 1195 3HG2 VAL 155 3HG2 VAL 155 -4.642 26.486 26.486 1196 H PHE 156 H PHE 156 -4.953 23.047 23.047 1197 HA PHE 156 HA PHE 156 -3.888 21.209 21.209 1198 1HB PHE 156 2HB PHE 156 -6.519 20.862 20.862 1199 2HB PHE 156 1HB PHE 156 -6.052 20.296 20.296 1200 HD1 PHE 156 HD1 PHE 156 -6.923 23.387 23.387 1201 HD2 PHE 156 HD2 PHE 156 -6.331 21.604 21.604 1202 HE1 PHE 156 HE1 PHE 156 -7.864 25.338 25.338 1203 HE2 PHE 156 HE2 PHE 156 -7.296 23.598 23.598 1204 HZ PHE 156 HZ PHE 156 -8.074 25.482 25.482 1205 H GLN 157 H GLN 157 -5.127 20.956 20.956 1206 HA GLN 157 HA GLN 157 -4.556 18.168 18.168 1207 1HB GLN 157 2HB GLN 157 -4.619 18.341 18.341 1208 2HB GLN 157 1HB GLN 157 -5.825 19.427 19.427 1209 1HG GLN 157 2HG GLN 157 -4.867 20.867 20.867 1210 2HG GLN 157 1HG GLN 157 -3.604 21.126 21.126 1211 1HE2 GLN 157 2HE2 GLN 157 -2.907 18.931 18.931 1212 2HE2 GLN 157 1HE2 GLN 157 -4.476 19.477 19.477 1213 H LYS 158 H LYS 158 -2.553 20.953 20.953 1214 HA LYS 158 HA LYS 158 -0.275 19.507 19.507 1215 1HB LYS 158 2HB LYS 158 -0.554 22.068 22.068 1216 2HB LYS 158 1HB LYS 158 -0.188 22.037 22.037 1217 1HG LYS 158 2HG LYS 158 2.007 20.823 20.823 1218 2HG LYS 158 1HG LYS 158 1.614 21.093 21.093 1219 1HD LYS 158 2HD LYS 158 1.435 23.672 23.672 1220 2HD LYS 158 1HD LYS 158 2.228 23.116 23.116 1221 1HE LYS 158 2HE LYS 158 3.865 23.986 23.986 1222 2HE LYS 158 1HE LYS 158 4.179 22.306 22.306 1223 1HZ LYS 158 2HZ LYS 158 2.348 22.337 22.337 1224 2HZ LYS 158 1HZ LYS 158 3.629 23.374 23.374 1225 3HZ LYS 158 3HZ LYS 158 3.925 21.745 21.745 1226 H LYS 159 H LYS 159 -0.873 20.668 20.668 1227 HA LYS 159 HA LYS 159 1.268 19.047 19.047 1228 1HB LYS 159 2HB LYS 159 -0.896 20.870 20.870 1229 2HB LYS 159 1HB LYS 159 0.161 20.046 20.046 1230 1HG LYS 159 2HG LYS 159 2.105 21.020 21.020 1231 2HG LYS 159 1HG LYS 159 0.860 22.100 22.100 1232 1HD LYS 159 2HD LYS 159 1.796 21.801 21.801 1233 2HD LYS 159 1HD LYS 159 2.248 23.097 23.097 1234 1HE LYS 159 2HE LYS 159 -0.056 23.925 23.925 1235 2HE LYS 159 1HE LYS 159 -0.632 22.560 22.560 1236 1HZ LYS 159 1HZ LYS 159 1.470 23.704 23.704 1237 2HZ LYS 159 3HZ LYS 159 0.422 24.988 24.988 1238 3HZ LYS 159 2HZ LYS 159 -0.167 23.646 23.646 1239 H LYS 160 H LYS 160 -2.192 18.848 18.848 1240 HA LYS 160 HA LYS 160 -2.110 16.343 16.343 1241 1HB LYS 160 2HB LYS 160 -4.397 16.861 16.861 1242 2HB LYS 160 1HB LYS 160 -4.016 18.386 18.386 1243 1HG LYS 160 2HG LYS 160 -5.005 17.793 17.793 1244 2HG LYS 160 1HG LYS 160 -5.200 16.130 16.130 1245 1HD LYS 160 2HD LYS 160 -6.654 16.612 16.612 1246 2HD LYS 160 1HD LYS 160 -6.321 18.328 18.328 1247 1HE LYS 160 2HE LYS 160 -7.484 18.661 18.661 1248 2HE LYS 160 1HE LYS 160 -7.583 16.931 16.931 1249 1HZ LYS 160 2HZ LYS 160 -8.602 17.376 17.376 1250 2HZ LYS 160 1HZ LYS 160 -9.343 18.541 18.541 1251 3HZ LYS 160 3HZ LYS 160 -9.404 16.885 16.885 1252 H LEU 161 H LEU 161 -1.556 16.980 16.980 1253 HA LEU 161 HA LEU 161 -2.884 15.289 15.289 1254 1HB LEU 161 2HB LEU 161 -0.345 16.471 16.471 1255 2HB LEU 161 1HB LEU 161 0.068 14.773 14.773 1256 HG LEU 161 HG LEU 161 -1.921 15.974 15.974 1257 1HD1 LEU 161 2HD1 LEU 161 0.314 16.922 16.922 1258 2HD1 LEU 161 1HD1 LEU 161 1.013 15.307 15.307 1259 3HD1 LEU 161 3HD1 LEU 161 -0.112 15.818 15.818 1260 1HD2 LEU 161 3HD2 LEU 161 -0.512 13.247 13.247 1261 2HD2 LEU 161 2HD2 LEU 161 -2.220 13.530 13.530 1262 3HD2 LEU 161 1HD2 LEU 161 -1.544 13.821 13.821 1263 H GLY 162 H GLY 162 -0.657 14.312 14.312 1264 1HA GLY 162 2HA GLY 162 -1.502 11.460 11.460 1265 2HA GLY 162 1HA GLY 162 0.018 11.958 11.958 1266 H CYS 163 H CYS 163 -2.311 13.981 13.981 1267 HA CYS 163 HA CYS 163 -2.507 12.698 12.698 1268 1HB CYS 163 2HB CYS 163 -1.820 15.184 15.184 1269 2HB CYS 163 1HB CYS 163 -3.513 15.402 15.402 1270 H GLN 164 H GLN 164 -4.786 14.285 14.285 1271 HA GLN 164 HA GLN 164 -7.170 13.433 13.433 1272 1HB GLN 164 2HB GLN 164 -6.832 14.792 14.792 1273 2HB GLN 164 1HB GLN 164 -7.252 13.209 13.209 1274 1HG GLN 164 2HG GLN 164 -9.266 13.303 13.303 1275 2HG GLN 164 1HG GLN 164 -8.856 14.977 14.977 1276 1HE2 GLN 164 2HE2 GLN 164 -10.764 13.873 13.873 1277 2HE2 GLN 164 1HE2 GLN 164 -10.397 12.715 12.715 1278 H LEU 165 H LEU 165 -5.084 12.136 12.136 1279 HA LEU 165 HA LEU 165 -6.155 9.541 9.541 1280 1HB LEU 165 2HB LEU 165 -3.444 10.865 10.865 1281 2HB LEU 165 1HB LEU 165 -3.523 9.147 9.147 1282 HG LEU 165 HG LEU 165 -3.732 10.625 10.625 1283 1HD1 LEU 165 1HD1 LEU 165 -4.393 8.201 8.201 1284 2HD1 LEU 165 3HD1 LEU 165 -5.994 8.654 8.654 1285 3HD1 LEU 165 2HD1 LEU 165 -5.450 9.154 9.154 1286 1HD2 LEU 165 2HD2 LEU 165 -6.545 11.093 11.093 1287 2HD2 LEU 165 1HD2 LEU 165 -5.286 12.315 12.315 1288 3HD2 LEU 165 3HD2 LEU 165 -5.963 11.476 11.476 1289 H LEU 166 H LEU 166 -3.289 10.480 10.480 1290 HA LEU 166 HA LEU 166 -3.252 8.023 8.023 1291 1HB LEU 166 2HB LEU 166 -2.272 10.657 10.657 1292 2HB LEU 166 1HB LEU 166 -2.916 9.946 9.946 1293 HG LEU 166 HG LEU 166 -0.562 9.347 9.347 1294 1HD1 LEU 166 1HD1 LEU 166 -2.138 7.442 7.442 1295 2HD1 LEU 166 3HD1 LEU 166 -2.170 6.873 6.873 1296 3HD1 LEU 166 2HD1 LEU 166 -0.664 6.860 6.860 1297 1HD2 LEU 166 2HD2 LEU 166 -1.371 8.307 8.307 1298 2HD2 LEU 166 1HD2 LEU 166 -0.295 9.642 9.642 1299 3HD2 LEU 166 3HD2 LEU 166 0.187 8.005 8.005 1300 H GLY 167 H GLY 167 -5.354 10.690 10.690 1301 1HA GLY 167 2HA GLY 167 -6.616 9.708 9.708 1302 2HA GLY 167 1HA GLY 167 -7.493 10.561 10.561 1303 H THR 168 H THR 168 -7.796 9.204 9.204 1304 HA THR 168 HA THR 168 -9.677 7.066 7.066 1305 HB THR 168 HB THR 168 -8.613 6.457 6.457 1306 HG1 THR 168 HG1 THR 168 -7.516 8.737 8.737 1307 1HG2 THR 168 1HG2 THR 168 -10.766 8.480 8.480 1308 2HG2 THR 168 3HG2 THR 168 -10.487 7.709 7.709 1309 3HG2 THR 168 2HG2 THR 168 -11.039 6.778 6.778 1310 H TYR 169 H TYR 169 -6.504 6.801 6.801 1311 HA TYR 169 HA TYR 169 -5.942 4.171 4.171 1312 1HB TYR 169 2HB TYR 169 -4.249 5.812 5.812 1313 2HB TYR 169 1HB TYR 169 -4.229 6.322 6.322 1314 HD1 TYR 169 HD2 TYR 169 -3.068 3.622 3.622 1315 HD2 TYR 169 HD1 TYR 169 -2.985 5.143 5.143 1316 HE1 TYR 169 HE2 TYR 169 -1.157 2.226 2.226 1317 HE2 TYR 169 HE1 TYR 169 -1.046 3.715 3.715 1318 HH TYR 169 HH TYR 169 0.767 2.964 2.964 1319 H LYS 170 H LYS 170 -5.648 5.941 5.941 1320 HA LYS 170 HA LYS 170 -4.955 3.699 3.699 1321 1HB LYS 170 2HB LYS 170 -4.873 6.065 6.065 1322 2HB LYS 170 1HB LYS 170 -6.615 6.129 6.129 1323 1HG LYS 170 2HG LYS 170 -6.985 4.576 4.576 1324 2HG LYS 170 1HG LYS 170 -5.256 4.478 4.478 1325 1HD LYS 170 2HD LYS 170 -6.310 6.050 6.050 1326 2HD LYS 170 1HD LYS 170 -5.171 6.897 6.897 1327 1HE LYS 170 2HE LYS 170 -8.198 6.822 6.822 1328 2HE LYS 170 1HE LYS 170 -7.385 8.127 8.127 1329 1HZ LYS 170 2HZ LYS 170 -6.037 7.675 7.675 1330 2HZ LYS 170 1HZ LYS 170 -7.679 7.806 7.806 1331 3HZ LYS 170 3HZ LYS 170 -6.912 9.053 9.053 1332 H GLN 171 H GLN 171 -8.085 5.085 5.085 1333 HA GLN 171 HA GLN 171 -9.522 3.086 3.086 1334 1HB GLN 171 2HB GLN 171 -10.306 5.369 5.369 1335 2HB GLN 171 1HB GLN 171 -10.477 4.915 4.915 1336 1HG GLN 171 2HG GLN 171 -12.301 3.450 3.450 1337 2HG GLN 171 1HG GLN 171 -11.974 3.324 3.324 1338 1HE2 GLN 171 2HE2 GLN 171 -13.213 6.911 6.911 1339 2HE2 GLN 171 1HE2 GLN 171 -11.649 6.282 6.282 1340 H VAL 172 H VAL 172 -8.725 3.120 3.120 1341 HA VAL 172 HA VAL 172 -10.358 0.736 0.736 1342 HB VAL 172 HB VAL 172 -9.748 1.349 1.349 1343 1HG1 VAL 172 1HG1 VAL 172 -10.082 3.840 3.840 1344 2HG1 VAL 172 3HG1 VAL 172 -10.299 3.809 3.809 1345 3HG1 VAL 172 2HG1 VAL 172 -11.356 2.861 2.861 1346 1HG2 VAL 172 3HG2 VAL 172 -7.285 1.638 1.638 1347 2HG2 VAL 172 2HG2 VAL 172 -8.004 2.968 2.968 1348 3HG2 VAL 172 1HG2 VAL 172 -7.652 3.150 3.150 1349 H ILE 173 H ILE 173 -6.918 1.601 1.601 1350 HA ILE 173 HA ILE 173 -5.774 -0.932 -0.932 1351 HB ILE 173 HB ILE 173 -4.861 1.361 1.361 1352 1HG1 ILE 173 2HG1 ILE 173 -4.965 1.428 1.428 1353 2HG1 ILE 173 1HG1 ILE 173 -3.560 2.049 2.049 1354 1HG2 ILE 173 1HG2 ILE 173 -3.262 -1.158 -1.158 1355 2HG2 ILE 173 3HG2 ILE 173 -2.603 0.303 0.303 1356 3HG2 ILE 173 2HG2 ILE 173 -3.804 -0.640 -0.640 1357 1HD1 ILE 173 1HD1 ILE 173 -3.754 -0.752 -0.752 1358 2HD1 ILE 173 3HD1 ILE 173 -2.983 0.608 0.608 1359 3HD1 ILE 173 2HD1 ILE 173 -2.321 -0.026 -0.026 1360 H SER 174 H SER 174 -7.151 0.456 0.456 1361 HA SER 174 HA SER 174 -6.469 -1.629 -1.629 1362 1HB SER 174 2HB SER 174 -8.347 -0.464 -0.464 1363 2HB SER 174 1HB SER 174 -6.903 0.480 0.480 1364 HG SER 174 HG SER 174 -9.133 0.484 0.484 1365 H VAL 175 H VAL 175 -8.334 -1.681 -1.681 1366 HA VAL 175 HA VAL 175 -10.223 -3.777 -3.777 1367 HB VAL 175 HB VAL 175 -10.508 -1.845 -1.845 1368 1HG1 VAL 175 3HG1 VAL 175 -12.267 -4.208 -4.208 1369 2HG1 VAL 175 2HG1 VAL 175 -12.670 -2.988 -2.988 1370 3HG1 VAL 175 1HG1 VAL 175 -11.312 -4.052 -4.052 1371 1HG2 VAL 175 2HG2 VAL 175 -10.992 -0.924 -0.924 1372 2HG2 VAL 175 1HG2 VAL 175 -12.438 -1.054 -1.054 1373 3HG2 VAL 175 3HG2 VAL 175 -12.129 -2.231 -2.231 1374 H VAL 176 H VAL 176 -7.777 -2.851 -2.851 1375 HA VAL 176 HA VAL 176 -8.412 -5.328 -5.328 1376 HB VAL 176 HB VAL 176 -6.717 -4.808 -4.808 1377 1HG1 VAL 176 1HG1 VAL 176 -8.869 -3.581 -3.581 1378 2HG1 VAL 176 3HG1 VAL 176 -8.193 -2.291 -2.291 1379 3HG1 VAL 176 2HG1 VAL 176 -7.561 -2.606 -2.606 1380 1HG2 VAL 176 3HG2 VAL 176 -5.988 -2.717 -2.717 1381 2HG2 VAL 176 2HG2 VAL 176 -4.995 -4.035 -4.035 1382 3HG2 VAL 176 1HG2 VAL 176 -5.395 -2.702 -2.702 1383 H VAL 177 H VAL 177 -6.288 -4.056 -4.056 1384 HA VAL 177 HA VAL 177 -4.349 -6.201 -6.201 1385 HB VAL 177 HB VAL 177 -4.355 -3.752 -3.752 1386 1HG1 VAL 177 2HG1 VAL 177 -6.349 -3.770 -3.770 1387 2HG1 VAL 177 1HG1 VAL 177 -5.631 -4.962 -4.962 1388 3HG1 VAL 177 3HG1 VAL 177 -4.932 -3.361 -3.361 1389 1HG2 VAL 177 1HG2 VAL 177 -3.266 -5.991 -5.991 1390 2HG2 VAL 177 3HG2 VAL 177 -2.400 -5.203 -5.203 1391 3HG2 VAL 177 2HG2 VAL 177 -2.829 -4.305 -4.305 1392 H GLN 178 H GLN 178 -7.557 -5.637 -5.637 1393 HA GLN 178 HA GLN 178 -7.824 -8.164 -8.164 1394 1HB GLN 178 2HB GLN 178 -9.621 -5.743 -5.743 1395 2HB GLN 178 1HB GLN 178 -10.091 -7.166 -7.166 1396 1HG GLN 178 2HG GLN 178 -7.579 -5.500 -5.500 1397 2HG GLN 178 1HG GLN 178 -9.071 -5.348 -5.348 1398 1HE2 GLN 178 2HE2 GLN 178 -8.226 -9.051 -9.051 1399 2HE2 GLN 178 1HE2 GLN 178 -9.194 -8.551 -8.551 1400 H ALA 179 H ALA 179 -7.639 -7.732 -7.732 1401 HA ALA 179 HA ALA 179 -10.231 -8.951 -8.951 1402 1HB ALA 179 1HB ALA 179 -7.947 -7.698 -7.698 1403 2HB ALA 179 3HB ALA 179 -9.415 -8.330 -8.330 1404 3HB ALA 179 2HB ALA 179 -9.496 -6.936 -6.936 1405 H PHE 180 H PHE 180 -6.774 -9.135 -9.135 1406 HA PHE 180 HA PHE 180 -6.802 -12.062 -12.062 1407 1HB PHE 180 2HB PHE 180 -4.751 -11.604 -11.604 1408 2HB PHE 180 1HB PHE 180 -6.290 -11.048 -11.048 1409 HD1 PHE 180 HD2 PHE 180 -3.297 -9.854 -9.854 1410 HD2 PHE 180 HD1 PHE 180 -6.621 -8.865 -8.865 1411 HE1 PHE 180 HE2 PHE 180 -2.477 -7.536 -7.536 1412 HE2 PHE 180 HE1 PHE 180 -5.828 -6.569 -6.569 1413 HZ PHE 180 HZ PHE 180 -3.699 -5.929 -5.929 Start of MODEL 9 1 1H SER 1 1H SER 1 0.676 -0.710 -0.710 2 2H SER 1 3H SER 1 -0.718 -1.667 -1.667 3 3H SER 1 2H SER 1 -0.893 -0.063 -0.063 4 HA SER 1 HA SER 1 -0.940 0.580 0.580 5 1HB SER 1 2HB SER 1 -0.095 -2.246 -2.246 6 2HB SER 1 1HB SER 1 -1.288 -1.184 -1.184 7 HG SER 1 HG SER 1 -2.647 -2.234 -2.234 8 HA PRO 2 HA PRO 2 3.462 1.086 1.086 9 1HB PRO 2 2HB PRO 2 3.436 1.698 1.698 10 2HB PRO 2 1HB PRO 2 2.780 2.842 2.842 11 1HG PRO 2 2HG PRO 2 1.265 0.717 0.717 12 2HG PRO 2 1HG PRO 2 0.902 2.443 2.443 13 1HD PRO 2 2HD PRO 2 -0.412 0.691 0.691 14 2HD PRO 2 1HD PRO 2 0.089 2.263 2.263 15 H LEU 3 H LEU 3 3.196 -1.260 -1.260 16 HA LEU 3 HA LEU 3 3.954 -3.442 -3.442 17 1HB LEU 3 2HB LEU 3 5.070 -2.171 -2.171 18 2HB LEU 3 1HB LEU 3 5.095 -3.888 -3.888 19 HG LEU 3 HG LEU 3 6.398 -3.680 -3.680 20 1HD1 LEU 3 1HD1 LEU 3 6.363 -0.686 -0.686 21 2HD1 LEU 3 3HD1 LEU 3 7.297 -1.456 -1.456 22 3HD1 LEU 3 2HD1 LEU 3 5.553 -1.449 -1.449 23 1HD2 LEU 3 1HD2 LEU 3 7.608 -3.874 -3.874 24 2HD2 LEU 3 3HD2 LEU 3 8.506 -2.870 -2.870 25 3HD2 LEU 3 2HD2 LEU 3 7.592 -2.130 -2.130 26 HA PRO 4 HA PRO 4 0.850 -5.503 -5.503 27 1HB PRO 4 2HB PRO 4 2.302 -7.480 -7.480 28 2HB PRO 4 1HB PRO 4 1.739 -7.638 -7.638 29 1HG PRO 4 2HG PRO 4 4.462 -6.576 -6.576 30 2HG PRO 4 1HG PRO 4 4.184 -7.879 -7.879 31 1HD PRO 4 2HD PRO 4 4.649 -5.428 -5.428 32 2HD PRO 4 1HD PRO 4 3.281 -6.320 -6.320 33 H ILE 5 H ILE 5 0.371 -5.767 -5.767 34 HA ILE 5 HA ILE 5 2.138 -4.175 -4.175 35 HB ILE 5 HB ILE 5 -0.935 -3.953 -3.953 36 1HG1 ILE 5 2HG1 ILE 5 1.129 -2.061 -2.061 37 2HG1 ILE 5 1HG1 ILE 5 0.024 -3.084 -3.084 38 1HG2 ILE 5 1HG2 ILE 5 0.235 -3.272 -3.272 39 2HG2 ILE 5 3HG2 ILE 5 1.235 -2.157 -2.157 40 3HG2 ILE 5 2HG2 ILE 5 -0.493 -1.895 -1.895 41 1HD1 ILE 5 1HD1 ILE 5 -1.925 -1.887 -1.887 42 2HD1 ILE 5 3HD1 ILE 5 -0.838 -0.807 -0.807 43 3HD1 ILE 5 2HD1 ILE 5 -0.868 -0.799 -0.799 44 H THR 6 H THR 6 1.636 -4.624 -4.624 45 HA THR 6 HA THR 6 1.733 -6.058 -6.058 46 HB THR 6 HB THR 6 -0.578 -7.328 -7.328 47 HG1 THR 6 HG1 THR 6 -1.454 -7.615 -7.615 48 1HG2 THR 6 2HG2 THR 6 -0.254 -4.867 -4.867 49 2HG2 THR 6 1HG2 THR 6 -0.796 -4.421 -4.421 50 3HG2 THR 6 3HG2 THR 6 -1.882 -5.258 -5.258 51 HA PRO 7 HA PRO 7 3.179 -10.154 -10.154 52 1HB PRO 7 2HB PRO 7 2.317 -11.641 -11.641 53 2HB PRO 7 1HB PRO 7 3.664 -10.506 -10.506 54 1HG PRO 7 2HG PRO 7 0.733 -9.976 -9.976 55 2HG PRO 7 1HG PRO 7 2.205 -9.610 -9.610 56 1HD PRO 7 2HD PRO 7 1.028 -7.680 -7.680 57 2HD PRO 7 1HD PRO 7 2.798 -7.789 -7.789 58 H VAL 8 H VAL 8 0.025 -10.510 -10.510 59 HA VAL 8 HA VAL 8 -1.080 -11.682 -11.682 60 HB VAL 8 HB VAL 8 -0.101 -13.624 -13.624 61 1HG1 VAL 8 3HG1 VAL 8 -0.112 -12.762 -12.762 62 2HG1 VAL 8 2HG1 VAL 8 -1.857 -13.024 -13.024 63 3HG1 VAL 8 1HG1 VAL 8 -0.781 -14.368 -14.368 64 1HG2 VAL 8 2HG2 VAL 8 -2.228 -14.018 -14.018 65 2HG2 VAL 8 1HG2 VAL 8 -2.114 -15.050 -15.050 66 3HG2 VAL 8 3HG2 VAL 8 -3.128 -13.624 -13.624 67 H ASN 9 H ASN 9 -1.904 -11.225 -11.225 68 HA ASN 9 HA ASN 9 -4.427 -9.834 -9.834 69 1HB ASN 9 2HB ASN 9 -4.046 -11.734 -11.734 70 2HB ASN 9 1HB ASN 9 -5.489 -10.790 -10.790 71 1HD2 ASN 9 2HD2 ASN 9 -5.476 -13.058 -13.058 72 2HD2 ASN 9 1HD2 ASN 9 -4.707 -11.552 -11.552 73 H ALA 10 H ALA 10 -2.785 -10.298 -10.298 74 HA ALA 10 HA ALA 10 -2.625 -7.302 -7.302 75 1HB ALA 10 1HB ALA 10 -3.248 -9.334 -9.334 76 2HB ALA 10 3HB ALA 10 -3.060 -7.586 -7.586 77 3HB ALA 10 2HB ALA 10 -4.384 -8.226 -8.226 78 H THR 11 H THR 11 -1.363 -9.432 -9.432 79 HA THR 11 HA THR 11 1.372 -9.208 -9.208 80 HB THR 11 HB THR 11 1.752 -9.024 -9.024 81 HG1 THR 11 HG1 THR 11 0.042 -6.945 -6.945 82 1HG2 THR 11 2HG2 THR 11 1.781 -6.860 -6.860 83 2HG2 THR 11 1HG2 THR 11 2.574 -6.806 -6.806 84 3HG2 THR 11 3HG2 THR 11 3.092 -7.965 -7.965 85 H CYS 12 H CYS 12 -0.851 -11.359 -11.359 86 HA CYS 12 HA CYS 12 -0.090 -13.379 -13.379 87 1HB CYS 12 2HB CYS 12 -0.748 -13.602 -13.602 88 2HB CYS 12 1HB CYS 12 -0.852 -14.894 -14.894 89 H ALA 13 H ALA 13 1.594 -12.580 -12.580 90 HA ALA 13 HA ALA 13 3.371 -14.627 -14.627 91 1HB ALA 13 1HB ALA 13 4.139 -11.648 -11.648 92 2HB ALA 13 3HB ALA 13 5.077 -12.881 -12.881 93 3HB ALA 13 2HB ALA 13 3.482 -12.448 -12.448 94 H ILE 14 H ILE 14 3.826 -12.083 -12.083 95 HA ILE 14 HA ILE 14 5.619 -14.062 -14.062 96 HB ILE 14 HB ILE 14 7.017 -12.318 -12.318 97 1HG1 ILE 14 2HG1 ILE 14 5.391 -10.730 -10.730 98 2HG1 ILE 14 1HG1 ILE 14 6.616 -9.899 -9.899 99 1HG2 ILE 14 1HG2 ILE 14 6.245 -11.421 -11.421 100 2HG2 ILE 14 3HG2 ILE 14 7.714 -10.945 -10.945 101 3HG2 ILE 14 2HG2 ILE 14 7.439 -12.630 -12.630 102 1HD1 ILE 14 2HD1 ILE 14 5.059 -9.688 -9.688 103 2HD1 ILE 14 1HD1 ILE 14 3.822 -10.532 -10.532 104 3HD1 ILE 14 3HD1 ILE 14 4.391 -8.958 -8.958 105 H ARG 15 H ARG 15 2.724 -13.193 -13.193 106 HA ARG 15 HA ARG 15 2.273 -12.673 -12.673 107 1HB ARG 15 2HB ARG 15 0.861 -11.980 -11.980 108 2HB ARG 15 1HB ARG 15 -0.193 -12.358 -12.358 109 1HG ARG 15 2HG ARG 15 1.283 -10.690 -10.690 110 2HG ARG 15 1HG ARG 15 2.112 -10.367 -10.367 111 1HD ARG 15 2HD ARG 15 0.258 -8.732 -8.732 112 2HD ARG 15 1HD ARG 15 0.076 -9.744 -9.744 113 HE ARG 15 HE ARG 15 -1.237 -10.918 -10.918 114 1HH1 ARG 15 2HH1 ARG 15 -1.408 -8.632 -8.632 115 2HH1 ARG 15 1HH1 ARG 15 -3.120 -8.873 -8.873 116 1HH2 ARG 15 1HH2 ARG 15 -3.507 -11.136 -11.136 117 2HH2 ARG 15 2HH2 ARG 15 -4.276 -10.257 -10.257 118 H HIS 16 H HIS 16 3.040 -14.960 -14.960 119 HA HIS 16 HA HIS 16 0.730 -16.837 -16.837 120 1HB HIS 16 2HB HIS 16 3.470 -17.196 -17.196 121 2HB HIS 16 1HB HIS 16 2.776 -18.603 -18.603 122 HD1 HIS 16 HD1 HIS 16 0.114 -18.938 -18.938 123 HD2 HIS 16 HD2 HIS 16 2.640 -16.852 -16.852 124 HE1 HIS 16 HE1 HIS 16 -0.915 -18.949 -18.949 125 HA PRO 17 HA PRO 17 2.002 -17.541 -17.541 126 1HB PRO 17 2HB PRO 17 2.914 -20.203 -20.203 127 2HB PRO 17 1HB PRO 17 1.238 -19.681 -19.681 128 1HG PRO 17 2HG PRO 17 2.746 -20.506 -20.506 129 2HG PRO 17 1HG PRO 17 1.169 -21.077 -21.077 130 1HD PRO 17 2HD PRO 17 1.164 -19.142 -19.142 131 2HD PRO 17 1HD PRO 17 0.144 -18.866 -18.866 132 H CYS 18 H CYS 18 3.831 -15.972 -15.972 133 HA CYS 18 HA CYS 18 6.510 -16.726 -16.726 134 1HB CYS 18 2HB CYS 18 7.038 -14.490 -14.490 135 2HB CYS 18 1HB CYS 18 5.721 -14.398 -14.398 136 H HIS 19 H HIS 19 4.603 -16.260 -16.260 137 HA HIS 19 HA HIS 19 6.670 -17.710 -17.710 138 1HB HIS 19 2HB HIS 19 4.593 -15.708 -15.708 139 2HB HIS 19 1HB HIS 19 5.934 -16.357 -16.357 140 HD1 HIS 19 HD1 HIS 19 5.516 -13.182 -13.182 141 HD2 HIS 19 HD2 HIS 19 8.350 -15.921 -15.921 142 HE1 HIS 19 HE1 HIS 19 7.406 -11.915 -11.915 143 H GLY 20 H GLY 20 5.272 -18.501 -18.501 144 1HA GLY 20 2HA GLY 20 2.803 -19.887 -19.887 145 2HA GLY 20 1HA GLY 20 4.070 -20.815 -20.815 146 H ASN 21 H ASN 21 3.063 -17.616 -17.616 147 HA ASN 21 HA ASN 21 1.820 -18.784 -18.784 148 1HB ASN 21 2HB ASN 21 4.222 -17.846 -17.846 149 2HB ASN 21 1HB ASN 21 3.520 -16.241 -16.241 150 1HD2 ASN 21 2HD2 ASN 21 2.490 -16.364 -16.364 151 2HD2 ASN 21 1HD2 ASN 21 2.904 -15.359 -15.359 152 H LEU 22 H LEU 22 2.244 -15.514 -15.514 153 HA LEU 22 HA LEU 22 0.834 -13.735 -13.735 154 1HB LEU 22 2HB LEU 22 -0.372 -16.014 -16.014 155 2HB LEU 22 1HB LEU 22 -1.580 -14.857 -14.857 156 HG LEU 22 HG LEU 22 -0.775 -14.299 -14.299 157 1HD1 LEU 22 1HD1 LEU 22 -1.417 -12.402 -12.402 158 2HD1 LEU 22 3HD1 LEU 22 0.231 -12.209 -12.209 159 3HD1 LEU 22 2HD1 LEU 22 -0.152 -11.958 -11.958 160 1HD2 LEU 22 1HD2 LEU 22 1.469 -15.306 -15.306 161 2HD2 LEU 22 3HD2 LEU 22 1.544 -13.648 -13.648 162 3HD2 LEU 22 2HD2 LEU 22 2.029 -14.040 -14.040 163 H MET 23 H MET 23 -1.553 -16.154 -16.154 164 HA MET 23 HA MET 23 -3.542 -15.024 -15.024 165 1HB MET 23 2HB MET 23 -1.817 -17.140 -17.140 166 2HB MET 23 1HB MET 23 -3.478 -16.789 -16.789 167 1HG MET 23 2HG MET 23 -4.138 -17.401 -17.401 168 2HG MET 23 1HG MET 23 -2.470 -17.802 -17.802 169 1HE MET 23 2HE MET 23 -5.838 -18.887 -18.887 170 2HE MET 23 1HE MET 23 -5.455 -20.234 -20.234 171 3HE MET 23 3HE MET 23 -5.033 -18.611 -18.611 172 H ASN 24 H ASN 24 -0.804 -15.542 -15.542 173 HA ASN 24 HA ASN 24 -1.715 -13.092 -13.092 174 1HB ASN 24 2HB ASN 24 0.142 -15.200 -15.200 175 2HB ASN 24 1HB ASN 24 -0.886 -14.069 -14.069 176 1HD2 ASN 24 2HD2 ASN 24 -3.817 -16.071 -16.071 177 2HD2 ASN 24 1HD2 ASN 24 -3.347 -14.446 -14.446 178 H GLN 25 H GLN 25 0.139 -13.515 -13.515 179 HA GLN 25 HA GLN 25 2.775 -12.628 -12.628 180 1HB GLN 25 2HB GLN 25 2.230 -14.079 -14.079 181 2HB GLN 25 1HB GLN 25 1.646 -12.592 -12.592 182 1HG GLN 25 2HG GLN 25 4.250 -11.959 -11.959 183 2HG GLN 25 1HG GLN 25 4.391 -13.505 -13.505 184 1HE2 GLN 25 2HE2 GLN 25 4.262 -10.343 -10.343 185 2HE2 GLN 25 1HE2 GLN 25 4.763 -10.328 -10.328 186 H ILE 26 H ILE 26 0.016 -11.411 -11.411 187 HA ILE 26 HA ILE 26 1.036 -8.682 -8.682 188 HB ILE 26 HB ILE 26 -1.258 -8.089 -8.089 189 1HG1 ILE 26 2HG1 ILE 26 -1.737 -11.113 -11.113 190 2HG1 ILE 26 1HG1 ILE 26 -2.414 -10.184 -10.184 191 1HG2 ILE 26 1HG2 ILE 26 0.671 -8.627 -8.627 192 2HG2 ILE 26 3HG2 ILE 26 0.262 -10.338 -10.338 193 3HG2 ILE 26 2HG2 ILE 26 -0.808 -9.207 -9.207 194 1HD1 ILE 26 2HD1 ILE 26 -3.474 -8.647 -8.647 195 2HD1 ILE 26 1HD1 ILE 26 -2.807 -9.658 -9.658 196 3HD1 ILE 26 3HD1 ILE 26 -4.008 -10.312 -10.312 197 H LYS 27 H LYS 27 -0.868 -10.647 -10.647 198 HA LYS 27 HA LYS 27 -2.180 -8.487 -8.487 199 1HB LYS 27 2HB LYS 27 -2.794 -10.938 -10.938 200 2HB LYS 27 1HB LYS 27 -1.292 -11.226 -11.226 201 1HG LYS 27 2HG LYS 27 -2.042 -9.609 -9.609 202 2HG LYS 27 1HG LYS 27 -3.550 -9.376 -9.376 203 1HD LYS 27 2HD LYS 27 -3.733 -11.979 -11.979 204 2HD LYS 27 1HD LYS 27 -2.476 -11.910 -11.910 205 1HE LYS 27 2HE LYS 27 -4.020 -10.289 -10.289 206 2HE LYS 27 1HE LYS 27 -5.232 -10.643 -10.643 207 1HZ LYS 27 3HZ LYS 27 -4.146 -13.067 -13.067 208 2HZ LYS 27 2HZ LYS 27 -4.623 -12.189 -12.189 209 3HZ LYS 27 1HZ LYS 27 -5.743 -12.506 -12.506 210 H ASN 28 H ASN 28 0.674 -10.373 -10.373 211 HA ASN 28 HA ASN 28 1.551 -8.697 -8.697 212 1HB ASN 28 2HB ASN 28 2.197 -11.101 -11.101 213 2HB ASN 28 1HB ASN 28 3.169 -10.658 -10.658 214 1HD2 ASN 28 2HD2 ASN 28 5.842 -9.985 -9.985 215 2HD2 ASN 28 1HD2 ASN 28 5.322 -10.749 -10.749 216 H GLN 29 H GLN 29 2.659 -9.000 -9.000 217 HA GLN 29 HA GLN 29 4.683 -7.031 -7.031 218 1HB GLN 29 2HB GLN 29 2.840 -7.953 -7.953 219 2HB GLN 29 1HB GLN 29 3.934 -6.635 -6.635 220 1HG GLN 29 2HG GLN 29 5.297 -8.960 -8.960 221 2HG GLN 29 1HG GLN 29 4.572 -9.343 -9.343 222 1HE2 GLN 29 2HE2 GLN 29 7.929 -7.283 -7.283 223 2HE2 GLN 29 1HE2 GLN 29 7.509 -8.299 -8.299 224 H LEU 30 H LEU 30 1.224 -6.610 -6.610 225 HA LEU 30 HA LEU 30 1.556 -3.773 -3.773 226 1HB LEU 30 2HB LEU 30 -0.251 -5.496 -5.496 227 2HB LEU 30 1HB LEU 30 -1.098 -5.116 -5.116 228 HG LEU 30 HG LEU 30 -0.060 -3.017 -3.017 229 1HD1 LEU 30 1HD1 LEU 30 -1.695 -4.510 -4.510 230 2HD1 LEU 30 3HD1 LEU 30 -2.808 -4.239 -4.239 231 3HD1 LEU 30 2HD1 LEU 30 -2.364 -2.900 -2.900 232 1HD2 LEU 30 1HD2 LEU 30 -0.650 -2.229 -2.229 233 2HD2 LEU 30 3HD2 LEU 30 -1.684 -1.597 -1.597 234 3HD2 LEU 30 2HD2 LEU 30 -2.227 -2.943 -2.943 235 H ALA 31 H ALA 31 0.481 -5.791 -5.791 236 HA ALA 31 HA ALA 31 -0.417 -3.919 -3.919 237 1HB ALA 31 3HB ALA 31 1.676 -6.030 -6.030 238 2HB ALA 31 2HB ALA 31 0.651 -5.221 -5.221 239 3HB ALA 31 1HB ALA 31 -0.074 -6.298 -6.298 240 H GLN 32 H GLN 32 2.972 -4.588 -4.588 241 HA GLN 32 HA GLN 32 4.267 -2.721 -2.721 242 1HB GLN 32 2HB GLN 32 4.953 -3.223 -3.223 243 2HB GLN 32 1HB GLN 32 6.006 -2.392 -2.392 244 1HG GLN 32 2HG GLN 32 6.028 -4.552 -4.552 245 2HG GLN 32 1HG GLN 32 5.240 -5.330 -5.330 246 1HE2 GLN 32 2HE2 GLN 32 9.173 -4.933 -4.933 247 2HE2 GLN 32 1HE2 GLN 32 8.273 -4.811 -4.811 248 H LEU 33 H LEU 33 2.713 -2.277 -2.277 249 HA LEU 33 HA LEU 33 3.121 0.600 0.600 250 1HB LEU 33 2HB LEU 33 0.986 -0.903 -0.903 251 2HB LEU 33 1HB LEU 33 1.859 0.529 0.529 252 HG LEU 33 HG LEU 33 3.010 -2.299 -2.299 253 1HD1 LEU 33 3HD1 LEU 33 1.664 -1.790 -1.790 254 2HD1 LEU 33 2HD1 LEU 33 2.722 -0.445 -0.445 255 3HD1 LEU 33 1HD1 LEU 33 3.350 -2.083 -2.083 256 1HD2 LEU 33 2HD2 LEU 33 4.646 -0.544 -0.544 257 2HD2 LEU 33 1HD2 LEU 33 5.117 -1.380 -1.380 258 3HD2 LEU 33 3HD2 LEU 33 4.467 0.250 0.250 259 H ASN 34 H ASN 34 0.202 -1.444 -1.444 260 HA ASN 34 HA ASN 34 -1.709 0.575 0.575 261 1HB ASN 34 2HB ASN 34 -2.060 -1.929 -1.929 262 2HB ASN 34 1HB ASN 34 -1.209 -1.602 -1.602 263 1HD2 ASN 34 2HD2 ASN 34 -4.181 -0.479 -0.479 264 2HD2 ASN 34 1HD2 ASN 34 -2.772 -1.403 -1.403 265 H GLY 35 H GLY 35 0.680 -0.539 -0.539 266 1HA GLY 35 2HA GLY 35 0.404 1.170 1.170 267 2HA GLY 35 1HA GLY 35 1.988 0.638 0.638 268 H SER 36 H SER 36 2.058 1.908 1.908 269 HA SER 36 HA SER 36 2.722 4.638 4.638 270 1HB SER 36 2HB SER 36 3.673 4.874 4.874 271 2HB SER 36 1HB SER 36 4.084 3.322 3.322 272 HG SER 36 HG SER 36 2.602 2.365 2.365 273 H ALA 37 H ALA 37 0.366 3.119 3.119 274 HA ALA 37 HA ALA 37 -1.016 5.098 5.098 275 1HB ALA 37 2HB ALA 37 -1.876 2.645 2.645 276 2HB ALA 37 1HB ALA 37 -2.500 3.111 3.111 277 3HB ALA 37 3HB ALA 37 -3.090 3.896 3.896 278 H ASN 38 H ASN 38 -1.150 4.390 4.390 279 HA ASN 38 HA ASN 38 -2.838 6.811 6.811 280 1HB ASN 38 2HB ASN 38 -3.043 4.490 4.490 281 2HB ASN 38 1HB ASN 38 -1.705 5.069 5.069 282 1HD2 ASN 38 2HD2 ASN 38 -3.956 7.972 7.972 283 2HD2 ASN 38 1HD2 ASN 38 -2.545 7.949 7.949 284 H ALA 39 H ALA 39 0.468 5.709 5.709 285 HA ALA 39 HA ALA 39 1.154 8.256 8.256 286 1HB ALA 39 2HB ALA 39 2.237 5.994 5.994 287 2HB ALA 39 1HB ALA 39 2.942 5.883 5.883 288 3HB ALA 39 3HB ALA 39 3.462 7.160 7.160 289 H LEU 40 H LEU 40 2.561 6.602 6.602 290 HA LEU 40 HA LEU 40 4.036 8.648 8.648 291 1HB LEU 40 2HB LEU 40 3.914 6.616 6.616 292 2HB LEU 40 1HB LEU 40 2.169 6.651 6.651 293 HG LEU 40 HG LEU 40 3.826 7.185 7.185 294 1HD1 LEU 40 3HD1 LEU 40 1.277 8.747 8.747 295 2HD1 LEU 40 2HD1 LEU 40 2.035 8.527 8.527 296 3HD1 LEU 40 1HD1 LEU 40 1.438 7.143 7.143 297 1HD2 LEU 40 3HD2 LEU 40 3.407 9.950 9.950 298 2HD2 LEU 40 2HD2 LEU 40 4.979 9.214 9.214 299 3HD2 LEU 40 1HD2 LEU 40 3.985 9.607 9.607 300 H PHE 41 H PHE 41 0.540 8.153 8.153 301 HA PHE 41 HA PHE 41 -0.218 10.429 10.429 302 1HB PHE 41 2HB PHE 41 -1.869 8.823 8.823 303 2HB PHE 41 1HB PHE 41 -1.496 9.232 9.232 304 HD1 PHE 41 HD1 PHE 41 -1.880 11.707 11.707 305 HD2 PHE 41 HD2 PHE 41 -3.660 9.950 9.950 306 HE1 PHE 41 HE1 PHE 41 -3.581 13.386 13.386 307 HE2 PHE 41 HE2 PHE 41 -5.401 11.637 11.637 308 HZ PHE 41 HZ PHE 41 -5.340 13.403 13.403 309 H ILE 42 H ILE 42 0.337 10.526 10.526 310 HA ILE 42 HA ILE 42 -0.086 13.389 13.389 311 HB ILE 42 HB ILE 42 0.944 11.133 11.133 312 1HG1 ILE 42 2HG1 ILE 42 -0.943 11.697 11.697 313 2HG1 ILE 42 1HG1 ILE 42 -1.180 13.215 13.215 314 1HG2 ILE 42 3HG2 ILE 42 1.136 14.039 14.039 315 2HG2 ILE 42 2HG2 ILE 42 1.362 12.632 12.632 316 3HG2 ILE 42 1HG2 ILE 42 2.505 12.961 12.961 317 1HD1 ILE 42 3HD1 ILE 42 -1.633 11.884 11.884 318 2HD1 ILE 42 2HD1 ILE 42 -1.420 10.407 10.407 319 3HD1 ILE 42 1HD1 ILE 42 -2.653 11.568 11.568 320 H SER 43 H SER 43 2.358 11.326 11.326 321 HA SER 43 HA SER 43 4.543 13.187 13.187 322 1HB SER 43 2HB SER 43 4.608 10.443 10.443 323 2HB SER 43 1HB SER 43 5.995 11.217 11.217 324 HG SER 43 HG SER 43 3.915 11.084 11.084 325 H TYR 44 H TYR 44 2.578 12.343 12.343 326 HA TYR 44 HA TYR 44 4.232 13.483 13.483 327 1HB TYR 44 2HB TYR 44 3.263 11.613 11.613 328 2HB TYR 44 1HB TYR 44 1.870 11.639 11.639 329 HD1 TYR 44 HD1 TYR 44 -0.108 13.124 13.124 330 HD2 TYR 44 HD2 TYR 44 3.210 12.583 12.583 331 HE1 TYR 44 HE1 TYR 44 -1.242 14.072 14.072 332 HE2 TYR 44 HE2 TYR 44 2.128 13.534 13.534 333 HH TYR 44 HH TYR 44 -0.196 15.485 15.485 334 H TYR 45 H TYR 45 0.988 13.962 13.962 335 HA TYR 45 HA TYR 45 0.534 16.423 16.423 336 1HB TYR 45 2HB TYR 45 -1.638 16.523 16.523 337 2HB TYR 45 1HB TYR 45 -1.315 14.819 14.819 338 HD1 TYR 45 HD2 TYR 45 -0.595 17.603 17.603 339 HD2 TYR 45 HD1 TYR 45 -2.176 13.643 13.643 340 HE1 TYR 45 HE2 TYR 45 -1.030 17.583 17.583 341 HE2 TYR 45 HE1 TYR 45 -2.644 13.671 13.671 342 HH TYR 45 HH TYR 45 -2.280 16.512 16.512 343 H THR 46 H THR 46 2.141 15.972 15.972 344 HA THR 46 HA THR 46 1.736 18.718 18.718 345 HB THR 46 HB THR 46 3.777 18.140 18.140 346 HG1 THR 46 HG1 THR 46 3.502 15.519 15.519 347 1HG2 THR 46 2HG2 THR 46 1.444 16.167 16.167 348 2HG2 THR 46 1HG2 THR 46 2.582 16.403 16.403 349 3HG2 THR 46 3HG2 THR 46 1.501 17.694 17.694 350 H ALA 47 H ALA 47 4.218 16.912 16.912 351 HA ALA 47 HA ALA 47 6.119 18.968 18.968 352 1HB ALA 47 2HB ALA 47 6.529 16.561 16.561 353 2HB ALA 47 1HB ALA 47 5.341 16.770 16.770 354 3HB ALA 47 3HB ALA 47 6.843 17.679 17.679 355 H GLN 48 H GLN 48 2.972 18.416 18.416 356 HA GLN 48 HA GLN 48 3.285 20.093 20.093 357 1HB GLN 48 2HB GLN 48 0.763 19.501 19.501 358 2HB GLN 48 1HB GLN 48 0.801 20.022 20.022 359 1HG GLN 48 2HG GLN 48 1.746 17.377 17.377 360 2HG GLN 48 1HG GLN 48 0.471 17.612 17.612 361 1HE2 GLN 48 2HE2 GLN 48 4.216 17.034 17.034 362 2HE2 GLN 48 1HE2 GLN 48 3.589 16.716 16.716 363 H GLY 49 H GLY 49 2.465 20.578 20.578 364 1HA GLY 49 2HA GLY 49 3.099 22.626 22.626 365 2HA GLY 49 1HA GLY 49 2.553 23.550 23.550 366 H GLU 50 H GLU 50 0.536 24.125 24.125 367 HA GLU 50 HA GLU 50 -1.478 23.122 23.122 368 1HB GLU 50 2HB GLU 50 -2.202 25.602 25.602 369 2HB GLU 50 1HB GLU 50 -0.634 25.245 25.245 370 1HG GLU 50 2HG GLU 50 0.434 26.143 26.143 371 2HG GLU 50 1HG GLU 50 -1.141 26.394 26.394 372 HA PRO 51 HA PRO 51 -3.512 24.204 24.204 373 1HB PRO 51 2HB PRO 51 -6.252 24.416 24.416 374 2HB PRO 51 1HB PRO 51 -5.131 25.763 25.763 375 1HG PRO 51 2HG PRO 51 -6.346 24.924 24.924 376 2HG PRO 51 1HG PRO 51 -4.982 26.036 26.036 377 1HD PRO 51 2HD PRO 51 -4.914 23.011 23.011 378 2HD PRO 51 1HD PRO 51 -3.933 24.282 24.282 379 H PHE 52 H PHE 52 -2.822 21.842 21.842 380 HA PHE 52 HA PHE 52 -4.842 19.845 19.845 381 1HB PHE 52 2HB PHE 52 -1.772 19.715 19.715 382 2HB PHE 52 1HB PHE 52 -2.790 18.283 18.283 383 HD1 PHE 52 HD2 PHE 52 -4.782 18.300 18.300 384 HD2 PHE 52 HD1 PHE 52 -1.488 20.850 20.850 385 HE1 PHE 52 HE2 PHE 52 -5.508 18.431 18.431 386 HE2 PHE 52 HE1 PHE 52 -2.235 21.021 21.021 387 HZ PHE 52 HZ PHE 52 -4.220 19.861 19.861 388 HA PRO 53 HA PRO 53 -2.743 18.361 18.361 389 1HB PRO 53 2HB PRO 53 -1.791 20.632 20.632 390 2HB PRO 53 1HB PRO 53 -0.763 19.447 19.447 391 1HG PRO 53 2HG PRO 53 -1.820 22.090 22.090 392 2HG PRO 53 1HG PRO 53 -0.177 21.448 21.448 393 1HD PRO 53 2HD PRO 53 -1.687 21.136 21.136 394 2HD PRO 53 1HD PRO 53 -0.834 19.696 19.696 395 H ASN 54 H ASN 54 -4.395 21.086 21.086 396 HA ASN 54 HA ASN 54 -6.214 20.894 20.894 397 1HB ASN 54 2HB ASN 54 -5.203 23.123 23.123 398 2HB ASN 54 1HB ASN 54 -5.886 23.137 23.137 399 1HD2 ASN 54 2HD2 ASN 54 -9.248 23.674 23.674 400 2HD2 ASN 54 1HD2 ASN 54 -8.534 22.761 22.761 401 H ASN 55 H ASN 55 -6.301 20.927 20.927 402 HA ASN 55 HA ASN 55 -9.187 20.020 20.020 403 1HB ASN 55 2HB ASN 55 -7.824 21.550 21.550 404 2HB ASN 55 1HB ASN 55 -9.553 21.163 21.163 405 1HD2 ASN 55 2HD2 ASN 55 -8.064 24.316 24.316 406 2HD2 ASN 55 1HD2 ASN 55 -7.050 23.272 23.272 407 H LEU 56 H LEU 56 -6.722 18.446 18.446 408 HA LEU 56 HA LEU 56 -6.426 17.142 17.142 409 1HB LEU 56 2HB LEU 56 -5.283 15.395 15.395 410 2HB LEU 56 1HB LEU 56 -4.971 16.853 16.853 411 HG LEU 56 HG LEU 56 -7.097 16.148 16.148 412 1HD1 LEU 56 1HD1 LEU 56 -7.682 14.170 14.170 413 2HD1 LEU 56 3HD1 LEU 56 -6.120 13.511 13.511 414 3HD1 LEU 56 2HD1 LEU 56 -7.318 13.674 13.674 415 1HD2 LEU 56 2HD2 LEU 56 -4.622 16.070 16.070 416 2HD2 LEU 56 1HD2 LEU 56 -5.569 14.747 14.747 417 3HD2 LEU 56 3HD2 LEU 56 -4.538 14.473 14.473 418 H ASP 57 H ASP 57 -8.857 17.221 17.221 419 HA ASP 57 HA ASP 57 -10.231 14.842 14.842 420 1HB ASP 57 2HB ASP 57 -10.727 15.926 15.926 421 2HB ASP 57 1HB ASP 57 -11.110 17.447 17.447 422 H LYS 58 H LYS 58 -10.532 18.141 18.141 423 HA LYS 58 HA LYS 58 -12.699 17.169 17.169 424 1HB LYS 58 2HB LYS 58 -11.884 19.993 19.993 425 2HB LYS 58 1HB LYS 58 -13.117 19.653 19.653 426 1HG LYS 58 2HG LYS 58 -14.227 18.124 18.124 427 2HG LYS 58 1HG LYS 58 -13.103 18.803 18.803 428 1HD LYS 58 2HD LYS 58 -13.977 20.996 20.996 429 2HD LYS 58 1HD LYS 58 -14.876 20.730 20.730 430 1HE LYS 58 2HE LYS 58 -15.452 19.412 19.412 431 2HE LYS 58 1HE LYS 58 -16.414 20.693 20.693 432 1HZ LYS 58 3HZ LYS 58 -16.079 18.647 18.647 433 2HZ LYS 58 2HZ LYS 58 -16.545 17.923 17.923 434 3HZ LYS 58 1HZ LYS 58 -17.542 19.117 19.117 435 H LEU 59 H LEU 59 -9.536 17.611 17.611 436 HA LEU 59 HA LEU 59 -9.312 18.070 18.070 437 1HB LEU 59 2HB LEU 59 -7.085 18.608 18.608 438 2HB LEU 59 1HB LEU 59 -7.353 19.305 19.305 439 HG LEU 59 HG LEU 59 -9.146 19.947 19.947 440 1HD1 LEU 59 1HD1 LEU 59 -6.755 21.394 21.394 441 2HD1 LEU 59 3HD1 LEU 59 -7.860 22.023 22.023 442 3HD1 LEU 59 2HD1 LEU 59 -6.871 20.600 20.600 443 1HD2 LEU 59 2HD2 LEU 59 -8.916 21.404 21.404 444 2HD2 LEU 59 1HD2 LEU 59 -10.270 20.392 20.392 445 3HD2 LEU 59 3HD2 LEU 59 -9.866 21.847 21.847 446 H CYS 60 H CYS 60 -8.198 16.136 16.136 447 HA CYS 60 HA CYS 60 -6.809 14.375 14.375 448 1HB CYS 60 2HB CYS 60 -5.950 14.895 14.895 449 2HB CYS 60 1HB CYS 60 -5.210 13.957 13.957 450 H GLY 61 H GLY 61 -9.604 13.697 13.697 451 1HA GLY 61 2HA GLY 61 -8.745 11.267 11.267 452 2HA GLY 61 1HA GLY 61 -10.169 12.181 12.181 453 HA PRO 62 HA PRO 62 -12.634 9.767 9.767 454 1HB PRO 62 2HB PRO 62 -14.404 11.522 11.522 455 2HB PRO 62 1HB PRO 62 -14.333 11.283 11.283 456 1HG PRO 62 2HG PRO 62 -12.967 13.490 13.490 457 2HG PRO 62 1HG PRO 62 -13.981 13.653 13.653 458 1HD PRO 62 2HD PRO 62 -11.303 13.612 13.612 459 2HD PRO 62 1HD PRO 62 -12.249 12.901 12.901 460 H ASN 63 H ASN 63 -13.721 9.921 9.921 461 HA ASN 63 HA ASN 63 -11.449 9.995 9.995 462 1HB ASN 63 2HB ASN 63 -12.876 8.473 8.473 463 2HB ASN 63 1HB ASN 63 -12.613 7.777 7.777 464 1HD2 ASN 63 2HD2 ASN 63 -16.047 7.671 7.671 465 2HD2 ASN 63 1HD2 ASN 63 -14.477 7.340 7.340 466 H VAL 64 H VAL 64 -11.353 11.784 11.784 467 HA VAL 64 HA VAL 64 -13.791 13.065 13.065 468 HB VAL 64 HB VAL 64 -11.422 14.610 14.610 469 1HG1 VAL 64 2HG1 VAL 64 -14.204 15.529 15.529 470 2HG1 VAL 64 1HG1 VAL 64 -12.980 16.548 16.548 471 3HG1 VAL 64 3HG1 VAL 64 -12.713 15.879 15.879 472 1HG2 VAL 64 1HG2 VAL 64 -14.121 14.029 14.029 473 2HG2 VAL 64 3HG2 VAL 64 -12.566 13.415 13.415 474 3HG2 VAL 64 2HG2 VAL 64 -12.908 15.130 15.130 475 H THR 65 H THR 65 -12.364 11.228 11.228 476 HA THR 65 HA THR 65 -11.263 12.431 12.431 477 HB THR 65 HB THR 65 -9.176 12.493 12.493 478 HG1 THR 65 HG1 THR 65 -9.136 11.652 11.652 479 1HG2 THR 65 3HG2 THR 65 -9.796 10.575 10.575 480 2HG2 THR 65 2HG2 THR 65 -9.551 9.453 9.453 481 3HG2 THR 65 1HG2 THR 65 -8.201 10.373 10.373 482 H ASP 66 H ASP 66 -10.088 9.689 9.689 483 HA ASP 66 HA ASP 66 -12.706 8.239 8.239 484 1HB ASP 66 2HB ASP 66 -10.436 8.333 8.333 485 2HB ASP 66 1HB ASP 66 -11.706 7.120 7.120 486 H PHE 67 H PHE 67 -11.315 7.878 7.878 487 HA PHE 67 HA PHE 67 -9.616 5.606 5.606 488 1HB PHE 67 2HB PHE 67 -10.025 7.036 7.036 489 2HB PHE 67 1HB PHE 67 -11.677 6.401 6.401 490 HD1 PHE 67 HD2 PHE 67 -12.025 3.907 3.907 491 HD2 PHE 67 HD1 PHE 67 -8.187 5.763 5.763 492 HE1 PHE 67 HE2 PHE 67 -11.112 1.919 1.919 493 HE2 PHE 67 HE1 PHE 67 -7.287 3.764 3.764 494 HZ PHE 67 HZ PHE 67 -8.740 1.864 1.864 495 HA PRO 68 HA PRO 68 -13.085 3.037 3.037 496 1HB PRO 68 2HB PRO 68 -11.780 0.805 0.805 497 2HB PRO 68 1HB PRO 68 -11.438 2.311 2.311 498 1HG PRO 68 2HG PRO 68 -9.907 1.143 1.143 499 2HG PRO 68 1HG PRO 68 -9.230 1.582 1.582 500 1HD PRO 68 2HD PRO 68 -9.239 3.371 3.371 501 2HD PRO 68 1HD PRO 68 -9.483 3.958 3.958 502 HA PRO 69 HA PRO 69 -13.836 2.139 2.139 503 1HB PRO 69 2HB PRO 69 -16.408 1.432 1.432 504 2HB PRO 69 1HB PRO 69 -15.891 2.858 2.858 505 1HG PRO 69 2HG PRO 69 -16.383 0.013 0.013 506 2HG PRO 69 1HG PRO 69 -16.933 1.534 1.534 507 1HD PRO 69 2HD PRO 69 -14.560 0.173 0.173 508 2HD PRO 69 1HD PRO 69 -14.875 1.898 1.898 509 H PHE 70 H PHE 70 -12.188 0.189 0.189 510 HA PHE 70 HA PHE 70 -12.292 -2.405 -2.405 511 1HB PHE 70 2HB PHE 70 -10.487 -0.921 -0.921 512 2HB PHE 70 1HB PHE 70 -11.427 -1.243 -1.243 513 HD1 PHE 70 HD2 PHE 70 -11.881 -3.737 -3.737 514 HD2 PHE 70 HD1 PHE 70 -9.245 -2.608 -2.608 515 HE1 PHE 70 HE2 PHE 70 -10.919 -6.004 -6.004 516 HE2 PHE 70 HE1 PHE 70 -8.314 -4.861 -4.861 517 HZ PHE 70 HZ PHE 70 -9.122 -6.559 -6.559 518 H HIS 71 H HIS 71 -14.230 -3.379 -3.379 519 HA HIS 71 HA HIS 71 -15.234 -3.752 -3.752 520 1HB HIS 71 2HB HIS 71 -16.836 -2.442 -2.442 521 2HB HIS 71 1HB HIS 71 -17.036 -4.011 -4.011 522 HD1 HIS 71 HD1 HIS 71 -17.035 -2.850 -2.850 523 HD2 HIS 71 HD2 HIS 71 -19.114 -5.400 -5.400 524 HE1 HIS 71 HE1 HIS 71 -18.805 -3.879 -3.879 525 H ALA 72 H ALA 72 -14.248 -5.567 -5.567 526 HA ALA 72 HA ALA 72 -13.634 -7.545 -7.545 527 1HB ALA 72 1HB ALA 72 -13.924 -7.865 -7.865 528 2HB ALA 72 3HB ALA 72 -13.165 -9.030 -9.030 529 3HB ALA 72 2HB ALA 72 -12.401 -7.458 -7.458 530 H ASN 73 H ASN 73 -15.603 -7.742 -7.742 531 HA ASN 73 HA ASN 73 -17.884 -8.729 -8.729 532 1HB ASN 73 2HB ASN 73 -18.232 -6.902 -6.902 533 2HB ASN 73 1HB ASN 73 -17.738 -8.086 -8.086 534 1HD2 ASN 73 2HD2 ASN 73 -21.090 -9.238 -9.238 535 2HD2 ASN 73 1HD2 ASN 73 -19.654 -8.890 -8.890 536 H GLY 74 H GLY 74 -16.311 -10.069 -10.069 537 1HA GLY 74 2HA GLY 74 -15.051 -12.076 -12.076 538 2HA GLY 74 1HA GLY 74 -16.691 -12.704 -12.704 539 H THR 75 H THR 75 -14.349 -11.004 -11.004 540 HA THR 75 HA THR 75 -14.319 -13.290 -13.290 541 HB THR 75 HB THR 75 -13.939 -10.870 -10.870 542 HG1 THR 75 HG1 THR 75 -16.049 -10.809 -10.809 543 1HG2 THR 75 2HG2 THR 75 -16.294 -12.713 -12.713 544 2HG2 THR 75 1HG2 THR 75 -15.916 -11.747 -11.747 545 3HG2 THR 75 3HG2 THR 75 -14.863 -13.091 -13.091 546 H GLU 76 H GLU 76 -12.358 -13.923 -13.923 547 HA GLU 76 HA GLU 76 -10.155 -12.556 -12.556 548 1HB GLU 76 2HB GLU 76 -9.997 -14.534 -14.534 549 2HB GLU 76 1HB GLU 76 -8.626 -13.875 -13.875 550 1HG GLU 76 2HG GLU 76 -10.154 -14.817 -14.817 551 2HG GLU 76 1HG GLU 76 -10.518 -15.984 -15.984 552 H LYS 77 H LYS 77 -10.947 -12.804 -12.804 553 HA LYS 77 HA LYS 77 -9.189 -10.916 -10.916 554 1HB LYS 77 2HB LYS 77 -10.919 -10.321 -10.321 555 2HB LYS 77 1HB LYS 77 -10.654 -12.042 -12.042 556 1HG LYS 77 2HG LYS 77 -12.790 -12.182 -12.182 557 2HG LYS 77 1HG LYS 77 -13.008 -10.460 -10.460 558 1HD LYS 77 2HD LYS 77 -14.317 -11.425 -11.425 559 2HD LYS 77 1HD LYS 77 -12.833 -10.934 -10.934 560 1HE LYS 77 2HE LYS 77 -13.465 -13.195 -13.195 561 2HE LYS 77 1HE LYS 77 -11.972 -13.306 -13.306 562 1HZ LYS 77 2HZ LYS 77 -14.143 -13.535 -13.535 563 2HZ LYS 77 1HZ LYS 77 -14.377 -14.653 -14.653 564 3HZ LYS 77 3HZ LYS 77 -12.934 -14.661 -14.661 565 H ALA 78 H ALA 78 -12.345 -10.234 -10.234 566 HA ALA 78 HA ALA 78 -12.037 -7.389 -7.389 567 1HB ALA 78 2HB ALA 78 -13.609 -8.882 -8.882 568 2HB ALA 78 1HB ALA 78 -13.792 -7.181 -7.181 569 3HB ALA 78 3HB ALA 78 -14.236 -8.409 -8.409 570 H LYS 79 H LYS 79 -11.212 -9.490 -9.490 571 HA LYS 79 HA LYS 79 -10.311 -7.492 -7.492 572 1HB LYS 79 2HB LYS 79 -9.556 -10.439 -10.439 573 2HB LYS 79 1HB LYS 79 -9.002 -9.459 -9.459 574 1HG LYS 79 2HG LYS 79 -11.119 -9.331 -9.331 575 2HG LYS 79 1HG LYS 79 -11.969 -9.418 -9.418 576 1HD LYS 79 2HD LYS 79 -12.414 -11.492 -11.492 577 2HD LYS 79 1HD LYS 79 -11.404 -11.849 -11.849 578 1HE LYS 79 2HE LYS 79 -10.313 -13.112 -13.112 579 2HE LYS 79 1HE LYS 79 -9.404 -11.622 -11.622 580 1HZ LYS 79 3HZ LYS 79 -11.643 -11.394 -11.394 581 2HZ LYS 79 2HZ LYS 79 -10.894 -12.897 -12.897 582 3HZ LYS 79 1HZ LYS 79 -9.998 -11.503 -11.503 583 H LEU 80 H LEU 80 -8.568 -9.414 -9.414 584 HA LEU 80 HA LEU 80 -6.040 -8.035 -8.035 585 1HB LEU 80 2HB LEU 80 -6.714 -9.874 -9.874 586 2HB LEU 80 1HB LEU 80 -5.119 -9.465 -9.465 587 HG LEU 80 HG LEU 80 -7.196 -11.076 -11.076 588 1HD1 LEU 80 2HD1 LEU 80 -6.163 -12.282 -12.282 589 2HD1 LEU 80 1HD1 LEU 80 -4.564 -11.909 -11.909 590 3HD1 LEU 80 3HD1 LEU 80 -5.648 -12.955 -12.955 591 1HD2 LEU 80 1HD2 LEU 80 -5.677 -9.751 -9.751 592 2HD2 LEU 80 3HD2 LEU 80 -5.383 -11.462 -11.462 593 3HD2 LEU 80 2HD2 LEU 80 -4.279 -10.462 -10.462 594 H VAL 81 H VAL 81 -8.163 -8.246 -8.246 595 HA VAL 81 HA VAL 81 -6.873 -6.252 -6.252 596 HB VAL 81 HB VAL 81 -9.918 -6.705 -6.705 597 1HG1 VAL 81 2HG1 VAL 81 -8.202 -5.287 -5.287 598 2HG1 VAL 81 1HG1 VAL 81 -9.912 -5.605 -5.605 599 3HG1 VAL 81 3HG1 VAL 81 -9.342 -4.511 -4.511 600 1HG2 VAL 81 3HG2 VAL 81 -8.652 -8.766 -8.766 601 2HG2 VAL 81 2HG2 VAL 81 -9.682 -8.001 -8.001 602 3HG2 VAL 81 1HG2 VAL 81 -7.966 -7.714 -7.714 603 H GLU 82 H GLU 82 -9.508 -5.755 -5.755 604 HA GLU 82 HA GLU 82 -9.536 -2.962 -2.962 605 1HB GLU 82 2HB GLU 82 -11.334 -4.141 -4.141 606 2HB GLU 82 1HB GLU 82 -10.229 -4.099 -4.099 607 1HG GLU 82 2HG GLU 82 -10.892 -1.832 -1.832 608 2HG GLU 82 1HG GLU 82 -10.106 -1.453 -1.453 609 H LEU 83 H LEU 83 -7.923 -4.914 -4.914 610 HA LEU 83 HA LEU 83 -6.563 -2.820 -2.820 611 1HB LEU 83 2HB LEU 83 -6.349 -5.091 -5.091 612 2HB LEU 83 1HB LEU 83 -5.858 -5.712 -5.712 613 HG LEU 83 HG LEU 83 -3.713 -4.252 -4.252 614 1HD1 LEU 83 1HD1 LEU 83 -4.644 -2.849 -2.849 615 2HD1 LEU 83 3HD1 LEU 83 -4.766 -4.278 -4.278 616 3HD1 LEU 83 2HD1 LEU 83 -3.191 -3.704 -3.704 617 1HD2 LEU 83 1HD2 LEU 83 -4.310 -6.632 -6.632 618 2HD2 LEU 83 3HD2 LEU 83 -3.793 -6.693 -6.693 619 3HD2 LEU 83 2HD2 LEU 83 -2.737 -6.023 -6.023 620 H TYR 84 H TYR 84 -5.074 -4.902 -4.902 621 HA TYR 84 HA TYR 84 -2.918 -3.646 -3.646 622 1HB TYR 84 2HB TYR 84 -3.615 -5.843 -5.843 623 2HB TYR 84 1HB TYR 84 -4.968 -5.277 -5.277 624 HD1 TYR 84 HD1 TYR 84 -4.300 -3.544 -3.544 625 HD2 TYR 84 HD2 TYR 84 -1.596 -6.193 -6.193 626 HE1 TYR 84 HE1 TYR 84 -2.814 -3.106 -3.106 627 HE2 TYR 84 HE2 TYR 84 -0.033 -5.819 -5.819 628 HH TYR 84 HH TYR 84 -0.511 -3.198 -3.198 629 H ARG 85 H ARG 85 -5.785 -3.379 -3.379 630 HA ARG 85 HA ARG 85 -5.081 -1.279 -1.279 631 1HB ARG 85 2HB ARG 85 -7.251 -2.751 -2.751 632 2HB ARG 85 1HB ARG 85 -7.884 -1.539 -1.539 633 1HG ARG 85 2HG ARG 85 -7.672 0.152 0.152 634 2HG ARG 85 1HG ARG 85 -6.779 -0.988 -0.988 635 1HD ARG 85 2HD ARG 85 -9.196 -0.805 -0.805 636 2HD ARG 85 1HD ARG 85 -8.704 -2.426 -2.426 637 HE ARG 85 HE ARG 85 -9.817 -0.719 -0.719 638 1HH1 ARG 85 2HH1 ARG 85 -10.447 -3.234 -3.234 639 2HH1 ARG 85 1HH1 ARG 85 -11.777 -3.858 -3.858 640 1HH2 ARG 85 1HH2 ARG 85 -11.560 -1.425 -1.425 641 2HH2 ARG 85 2HH2 ARG 85 -12.454 -2.749 -2.749 642 H MET 86 H MET 86 -6.693 -0.974 -0.974 643 HA MET 86 HA MET 86 -6.726 1.797 1.797 644 1HB MET 86 2HB MET 86 -7.878 0.345 0.345 645 2HB MET 86 1HB MET 86 -6.348 -0.192 -0.192 646 1HG MET 86 2HG MET 86 -6.092 2.551 2.551 647 2HG MET 86 1HG MET 86 -7.797 2.270 2.270 648 1HE MET 86 3HE MET 86 -4.378 1.351 1.351 649 2HE MET 86 2HE MET 86 -4.366 2.181 2.181 650 3HE MET 86 1HE MET 86 -4.382 0.412 0.412 651 H VAL 87 H VAL 87 -4.320 -0.420 -0.420 652 HA VAL 87 HA VAL 87 -2.371 1.431 1.431 653 HB VAL 87 HB VAL 87 -2.260 -1.493 -1.493 654 1HG1 VAL 87 1HG1 VAL 87 0.058 -0.327 -0.327 655 2HG1 VAL 87 3HG1 VAL 87 -0.418 0.150 0.150 656 3HG1 VAL 87 2HG1 VAL 87 -0.198 -1.560 -1.560 657 1HG2 VAL 87 1HG2 VAL 87 -3.841 -1.109 -1.109 658 2HG2 VAL 87 3HG2 VAL 87 -2.452 -2.037 -2.037 659 3HG2 VAL 87 2HG2 VAL 87 -2.587 -0.340 -0.340 660 H ALA 88 H ALA 88 -3.263 0.325 0.325 661 HA ALA 88 HA ALA 88 -0.540 0.808 0.808 662 1HB ALA 88 3HB ALA 88 -2.080 -0.933 -0.933 663 2HB ALA 88 2HB ALA 88 -3.168 0.319 0.319 664 3HB ALA 88 1HB ALA 88 -1.527 0.215 0.215 665 H TYR 89 H TYR 89 -3.840 2.225 2.225 666 HA TYR 89 HA TYR 89 -2.760 4.587 4.587 667 1HB TYR 89 2HB TYR 89 -4.921 5.642 5.642 668 2HB TYR 89 1HB TYR 89 -5.381 3.956 3.956 669 HD1 TYR 89 HD2 TYR 89 -4.555 6.899 6.899 670 HD2 TYR 89 HD1 TYR 89 -6.471 3.101 3.101 671 HE1 TYR 89 HE2 TYR 89 -5.447 7.231 7.231 672 HE2 TYR 89 HE1 TYR 89 -7.345 3.479 3.479 673 HH TYR 89 HH TYR 89 -7.484 4.820 4.820 674 H LEU 90 H LEU 90 -3.429 3.770 3.770 675 HA LEU 90 HA LEU 90 -2.476 6.290 6.290 676 1HB LEU 90 2HB LEU 90 -3.904 4.799 4.799 677 2HB LEU 90 1HB LEU 90 -2.606 3.638 3.638 678 HG LEU 90 HG LEU 90 -1.982 6.504 6.504 679 1HD1 LEU 90 3HD1 LEU 90 -3.631 4.625 4.625 680 2HD1 LEU 90 2HD1 LEU 90 -2.875 6.101 6.101 681 3HD1 LEU 90 1HD1 LEU 90 -4.146 6.184 6.184 682 1HD2 LEU 90 1HD2 LEU 90 -1.208 3.808 3.808 683 2HD2 LEU 90 3HD2 LEU 90 -0.170 4.803 4.803 684 3HD2 LEU 90 2HD2 LEU 90 -0.655 5.361 5.361 685 H SER 91 H SER 91 -0.683 3.109 3.109 686 HA SER 91 HA SER 91 1.717 4.074 4.074 687 1HB SER 91 2HB SER 91 1.463 1.696 1.696 688 2HB SER 91 1HB SER 91 1.744 2.381 2.381 689 HG SER 91 HG SER 91 3.536 1.790 1.790 690 H ALA 92 H ALA 92 0.479 4.639 4.639 691 HA ALA 92 HA ALA 92 2.751 6.135 6.135 692 1HB ALA 92 1HB ALA 92 -0.160 6.128 6.128 693 2HB ALA 92 3HB ALA 92 1.185 6.805 6.805 694 3HB ALA 92 2HB ALA 92 1.092 5.070 5.070 695 H SER 93 H SER 93 -0.440 7.100 7.100 696 HA SER 93 HA SER 93 -0.036 9.918 9.918 697 1HB SER 93 2HB SER 93 -1.525 8.367 8.367 698 2HB SER 93 1HB SER 93 -1.734 10.089 10.089 699 HG SER 93 HG SER 93 -2.954 9.519 9.519 700 H LEU 94 H LEU 94 0.661 7.710 7.710 701 HA LEU 94 HA LEU 94 1.797 9.265 9.265 702 1HB LEU 94 2HB LEU 94 1.229 6.547 6.547 703 2HB LEU 94 1HB LEU 94 2.970 6.536 6.536 704 HG LEU 94 HG LEU 94 2.955 7.532 7.532 705 1HD1 LEU 94 2HD1 LEU 94 -0.083 7.291 7.291 706 2HD1 LEU 94 1HD1 LEU 94 0.821 7.584 7.584 707 3HD1 LEU 94 3HD1 LEU 94 0.814 8.778 8.778 708 1HD2 LEU 94 3HD2 LEU 94 1.362 4.953 4.953 709 2HD2 LEU 94 2HD2 LEU 94 3.095 5.102 5.102 710 3HD2 LEU 94 1HD2 LEU 94 2.117 5.531 5.531 711 H THR 95 H THR 95 3.399 7.393 7.393 712 HA THR 95 HA THR 95 6.013 8.363 8.363 713 HB THR 95 HB THR 95 4.638 7.479 7.479 714 HG1 THR 95 HG1 THR 95 4.707 5.825 5.825 715 1HG2 THR 95 1HG2 THR 95 7.618 7.701 7.701 716 2HG2 THR 95 3HG2 THR 95 7.084 7.130 7.130 717 3HG2 THR 95 2HG2 THR 95 6.907 8.818 8.818 718 H ASN 96 H ASN 96 3.686 9.612 9.612 719 HA ASN 96 HA ASN 96 5.097 11.673 11.673 720 1HB ASN 96 2HB ASN 96 2.881 11.191 11.191 721 2HB ASN 96 1HB ASN 96 2.191 11.372 11.372 722 1HD2 ASN 96 2HD2 ASN 96 1.363 14.659 14.659 723 2HD2 ASN 96 1HD2 ASN 96 1.033 13.195 13.195 724 H ILE 97 H ILE 97 3.114 12.057 12.057 725 HA ILE 97 HA ILE 97 4.098 14.746 14.746 726 HB ILE 97 HB ILE 97 1.987 14.026 14.026 727 1HG1 ILE 97 2HG1 ILE 97 4.014 14.460 14.460 728 2HG1 ILE 97 1HG1 ILE 97 3.623 15.747 15.747 729 1HG2 ILE 97 2HG2 ILE 97 3.712 12.108 12.108 730 2HG2 ILE 97 1HG2 ILE 97 2.015 12.425 12.425 731 3HG2 ILE 97 3HG2 ILE 97 2.532 11.651 11.651 732 1HD1 ILE 97 1HD1 ILE 97 1.538 14.375 14.375 733 2HD1 ILE 97 3HD1 ILE 97 2.256 15.950 15.950 734 3HD1 ILE 97 2HD1 ILE 97 1.268 15.703 15.703 735 H THR 98 H THR 98 5.125 11.548 11.548 736 HA THR 98 HA THR 98 6.983 12.186 12.186 737 HB THR 98 HB THR 98 6.565 9.882 9.882 738 HG1 THR 98 HG1 THR 98 7.213 9.503 9.503 739 1HG2 THR 98 3HG2 THR 98 9.562 10.610 10.610 740 2HG2 THR 98 2HG2 THR 98 8.821 9.106 9.106 741 3HG2 THR 98 1HG2 THR 98 8.549 10.560 10.560 742 H ARG 99 H ARG 99 7.684 12.459 12.459 743 HA ARG 99 HA ARG 99 10.287 13.583 13.583 744 1HB ARG 99 2HB ARG 99 10.468 13.897 13.897 745 2HB ARG 99 1HB ARG 99 9.972 12.277 12.277 746 1HG ARG 99 2HG ARG 99 7.605 12.935 12.935 747 2HG ARG 99 1HG ARG 99 8.201 14.496 14.496 748 1HD ARG 99 2HD ARG 99 9.812 13.122 13.122 749 2HD ARG 99 1HD ARG 99 8.862 11.696 11.696 750 HE ARG 99 HE ARG 99 6.861 13.097 13.097 751 1HH1 ARG 99 2HH1 ARG 99 10.024 13.206 13.206 752 2HH1 ARG 99 1HH1 ARG 99 9.537 13.602 13.602 753 1HH2 ARG 99 1HH2 ARG 99 6.125 13.667 13.667 754 2HH2 ARG 99 2HH2 ARG 99 7.187 13.879 13.879 755 H ASP 100 H ASP 100 7.116 14.976 14.976 756 HA ASP 100 HA ASP 100 8.093 17.659 17.659 757 1HB ASP 100 2HB ASP 100 5.651 16.622 16.622 758 2HB ASP 100 1HB ASP 100 5.395 17.057 17.057 759 H GLN 101 H GLN 101 7.228 15.882 15.882 760 HA GLN 101 HA GLN 101 7.613 18.077 18.077 761 1HB GLN 101 2HB GLN 101 7.061 15.088 15.088 762 2HB GLN 101 1HB GLN 101 7.327 15.996 15.996 763 1HG GLN 101 2HG GLN 101 5.269 16.753 16.753 764 2HG GLN 101 1HG GLN 101 4.868 15.913 15.913 765 1HE2 GLN 101 2HE2 GLN 101 5.829 18.882 18.882 766 2HE2 GLN 101 1HE2 GLN 101 6.334 17.255 17.255 767 H LYS 102 H LYS 102 9.329 15.297 15.297 768 HA LYS 102 HA LYS 102 11.557 15.319 15.319 769 1HB LYS 102 2HB LYS 102 11.095 13.513 13.513 770 2HB LYS 102 1HB LYS 102 11.412 14.746 14.746 771 1HG LYS 102 2HG LYS 102 13.628 14.214 14.214 772 2HG LYS 102 1HG LYS 102 13.234 12.911 12.911 773 1HD LYS 102 2HD LYS 102 13.560 14.326 14.326 774 2HD LYS 102 1HD LYS 102 13.706 15.772 15.772 775 1HE LYS 102 2HE LYS 102 15.593 13.392 13.392 776 2HE LYS 102 1HE LYS 102 15.939 14.859 14.859 777 1HZ LYS 102 2HZ LYS 102 15.006 15.679 15.679 778 2HZ LYS 102 1HZ LYS 102 16.121 14.427 14.427 779 3HZ LYS 102 3HZ LYS 102 16.593 15.798 15.798 780 H VAL 103 H VAL 103 10.646 17.366 17.366 781 HA VAL 103 HA VAL 103 13.227 18.906 18.906 782 HB VAL 103 HB VAL 103 11.035 18.986 18.986 783 1HG1 VAL 103 2HG1 VAL 103 13.863 20.158 20.158 784 2HG1 VAL 103 1HG1 VAL 103 12.722 20.195 20.195 785 3HG1 VAL 103 3HG1 VAL 103 12.382 21.088 21.088 786 1HG2 VAL 103 3HG2 VAL 103 13.763 17.603 17.603 787 2HG2 VAL 103 2HG2 VAL 103 12.194 16.799 16.799 788 3HG2 VAL 103 1HG2 VAL 103 12.651 17.711 17.711 789 H LEU 104 H LEU 104 9.807 19.148 19.148 790 HA LEU 104 HA LEU 104 9.877 22.052 22.052 791 1HB LEU 104 2HB LEU 104 7.859 20.848 20.848 792 2HB LEU 104 1HB LEU 104 7.776 20.027 20.027 793 HG LEU 104 HG LEU 104 7.653 23.054 23.054 794 1HD1 LEU 104 3HD1 LEU 104 5.978 22.267 22.267 795 2HD1 LEU 104 2HD1 LEU 104 5.294 21.159 21.159 796 3HD1 LEU 104 1HD1 LEU 104 5.165 22.903 22.903 797 1HD2 LEU 104 2HD2 LEU 104 6.302 20.841 20.841 798 2HD2 LEU 104 1HD2 LEU 104 7.722 21.757 21.757 799 3HD2 LEU 104 3HD2 LEU 104 6.201 22.567 22.567 800 H ASN 105 H ASN 105 10.180 19.522 19.522 801 HA ASN 105 HA ASN 105 10.805 21.885 21.885 802 1HB ASN 105 2HB ASN 105 8.387 20.296 20.296 803 2HB ASN 105 1HB ASN 105 9.256 20.212 20.212 804 1HD2 ASN 105 2HD2 ASN 105 7.071 23.200 23.200 805 2HD2 ASN 105 1HD2 ASN 105 6.757 21.530 21.530 806 HA PRO 106 HA PRO 106 14.122 19.929 19.929 807 1HB PRO 106 2HB PRO 106 14.206 21.184 21.184 808 2HB PRO 106 1HB PRO 106 14.521 22.063 22.063 809 1HG PRO 106 2HG PRO 106 11.861 21.856 21.856 810 2HG PRO 106 1HG PRO 106 12.667 23.317 23.317 811 1HD PRO 106 2HD PRO 106 10.735 22.187 22.187 812 2HD PRO 106 1HD PRO 106 12.099 22.873 22.873 813 H SER 107 H SER 107 11.074 19.692 19.692 814 HA SER 107 HA SER 107 11.767 17.369 17.369 815 1HB SER 107 2HB SER 107 10.214 19.091 19.091 816 2HB SER 107 1HB SER 107 9.065 18.910 18.910 817 HG SER 107 HG SER 107 9.418 17.279 17.279 818 H ALA 108 H ALA 108 9.494 18.537 18.537 819 HA ALA 108 HA ALA 108 8.236 16.302 16.302 820 1HB ALA 108 3HB ALA 108 9.702 18.214 18.214 821 2HB ALA 108 2HB ALA 108 8.498 17.073 17.073 822 3HB ALA 108 1HB ALA 108 8.028 18.352 18.352 823 H VAL 109 H VAL 109 11.662 17.111 17.111 824 HA VAL 109 HA VAL 109 12.240 14.961 14.961 825 HB VAL 109 HB VAL 109 14.609 14.965 14.965 826 1HG1 VAL 109 1HG1 VAL 109 13.465 17.729 17.729 827 2HG1 VAL 109 3HG1 VAL 109 15.172 17.329 17.329 828 3HG1 VAL 109 2HG1 VAL 109 14.108 16.597 16.597 829 1HG2 VAL 109 1HG2 VAL 109 13.340 17.083 17.083 830 2HG2 VAL 109 3HG2 VAL 109 13.910 15.527 15.527 831 3HG2 VAL 109 2HG2 VAL 109 15.045 16.706 16.706 832 H SER 110 H SER 110 12.049 14.941 14.941 833 HA SER 110 HA SER 110 12.681 12.112 12.112 834 1HB SER 110 2HB SER 110 11.063 13.980 13.980 835 2HB SER 110 1HB SER 110 11.764 12.430 12.430 836 HG SER 110 HG SER 110 13.651 13.845 13.845 837 H LEU 111 H LEU 111 9.754 13.949 13.949 838 HA LEU 111 HA LEU 111 7.745 11.993 11.993 839 1HB LEU 111 2HB LEU 111 7.203 14.371 14.371 840 2HB LEU 111 1HB LEU 111 7.785 14.265 14.265 841 HG LEU 111 HG LEU 111 5.453 12.535 12.535 842 1HD1 LEU 111 2HD1 LEU 111 5.547 15.410 15.410 843 2HD1 LEU 111 1HD1 LEU 111 4.074 14.480 14.480 844 3HD1 LEU 111 3HD1 LEU 111 4.995 14.916 14.916 845 1HD2 LEU 111 3HD2 LEU 111 6.411 13.788 13.788 846 2HD2 LEU 111 2HD2 LEU 111 6.585 12.086 12.086 847 3HD2 LEU 111 1HD2 LEU 111 5.003 12.781 12.781 848 H HIS 112 H HIS 112 9.512 12.792 12.792 849 HA HIS 112 HA HIS 112 8.220 10.743 10.743 850 1HB HIS 112 2HB HIS 112 9.706 11.355 11.355 851 2HB HIS 112 1HB HIS 112 9.789 12.748 12.748 852 HD1 HIS 112 HD1 HIS 112 11.917 9.555 9.555 853 HD2 HIS 112 HD2 HIS 112 12.099 13.592 13.592 854 HE1 HIS 112 HE1 HIS 112 14.308 10.108 10.108 855 H SER 113 H SER 113 11.503 10.588 10.588 856 HA SER 113 HA SER 113 12.105 7.951 7.951 857 1HB SER 113 2HB SER 113 12.396 9.456 9.456 858 2HB SER 113 1HB SER 113 13.069 7.829 7.829 859 HG SER 113 HG SER 113 14.586 8.825 8.825 860 H LYS 114 H LYS 114 9.883 8.812 8.812 861 HA LYS 114 HA LYS 114 9.347 6.054 6.054 862 1HB LYS 114 2HB LYS 114 7.702 8.608 8.608 863 2HB LYS 114 1HB LYS 114 7.167 7.058 7.058 864 1HG LYS 114 2HG LYS 114 9.242 6.844 6.844 865 2HG LYS 114 1HG LYS 114 9.825 8.372 8.372 866 1HD LYS 114 2HD LYS 114 7.942 9.579 9.579 867 2HD LYS 114 1HD LYS 114 7.185 8.078 8.078 868 1HE LYS 114 2HE LYS 114 8.363 9.177 9.177 869 2HE LYS 114 1HE LYS 114 8.936 7.552 7.552 870 1HZ LYS 114 1HZ LYS 114 10.466 9.293 9.293 871 2HZ LYS 114 3HZ LYS 114 10.409 9.980 9.980 872 3HZ LYS 114 2HZ LYS 114 10.990 8.389 8.389 873 H LEU 115 H LEU 115 7.681 8.338 8.338 874 HA LEU 115 HA LEU 115 5.544 6.760 6.760 875 1HB LEU 115 2HB LEU 115 6.150 9.361 9.361 876 2HB LEU 115 1HB LEU 115 6.984 8.878 8.878 877 HG LEU 115 HG LEU 115 4.817 7.866 7.866 878 1HD1 LEU 115 2HD1 LEU 115 3.741 7.681 7.681 879 2HD1 LEU 115 1HD1 LEU 115 3.770 9.434 9.434 880 3HD1 LEU 115 3HD1 LEU 115 2.729 8.653 8.653 881 1HD2 LEU 115 2HD2 LEU 115 4.710 10.856 10.856 882 2HD2 LEU 115 1HD2 LEU 115 5.425 10.177 10.177 883 3HD2 LEU 115 3HD2 LEU 115 3.707 10.055 10.055 884 H ASN 116 H ASN 116 8.828 7.005 7.005 885 HA ASN 116 HA ASN 116 8.697 5.605 5.605 886 1HB ASN 116 2HB ASN 116 11.020 5.810 5.810 887 2HB ASN 116 1HB ASN 116 11.096 5.220 5.220 888 1HD2 ASN 116 2HD2 ASN 116 9.760 8.824 8.824 889 2HD2 ASN 116 1HD2 ASN 116 8.856 7.415 7.415 890 H ALA 117 H ALA 117 9.308 4.557 4.557 891 HA ALA 117 HA ALA 117 9.918 1.951 1.951 892 1HB ALA 117 1HB ALA 117 8.457 2.668 2.668 893 2HB ALA 117 3HB ALA 117 9.178 1.107 1.107 894 3HB ALA 117 2HB ALA 117 10.205 2.524 2.524 895 H THR 118 H THR 118 6.889 3.230 3.230 896 HA THR 118 HA THR 118 5.158 1.178 1.178 897 HB THR 118 HB THR 118 3.484 3.396 3.396 898 HG1 THR 118 HG1 THR 118 5.561 4.525 4.525 899 1HG2 THR 118 2HG2 THR 118 4.913 3.060 3.060 900 2HG2 THR 118 1HG2 THR 118 3.371 3.849 3.849 901 3HG2 THR 118 3HG2 THR 118 3.504 2.113 2.113 902 H ILE 119 H ILE 119 6.163 3.652 3.652 903 HA ILE 119 HA ILE 119 4.631 2.666 2.666 904 HB ILE 119 HB ILE 119 7.281 4.172 4.172 905 1HG1 ILE 119 2HG1 ILE 119 4.614 5.252 5.252 906 2HG1 ILE 119 1HG1 ILE 119 4.970 5.225 5.225 907 1HG2 ILE 119 1HG2 ILE 119 7.136 2.985 2.985 908 2HG2 ILE 119 3HG2 ILE 119 5.538 3.678 3.678 909 3HG2 ILE 119 2HG2 ILE 119 6.963 4.716 4.716 910 1HD1 ILE 119 1HD1 ILE 119 6.678 6.601 6.601 911 2HD1 ILE 119 3HD1 ILE 119 5.586 7.402 7.402 912 3HD1 ILE 119 2HD1 ILE 119 7.012 6.595 6.595 913 H ASP 120 H ASP 120 8.041 2.291 2.291 914 HA ASP 120 HA ASP 120 8.806 0.420 0.420 915 1HB ASP 120 2HB ASP 120 10.207 1.717 1.717 916 2HB ASP 120 1HB ASP 120 9.870 0.366 0.366 917 H VAL 121 H VAL 121 7.918 -0.333 -0.333 918 HA VAL 121 HA VAL 121 7.876 -3.179 -3.179 919 HB VAL 121 HB VAL 121 6.997 -3.089 -3.089 920 1HG1 VAL 121 3HG1 VAL 121 9.346 -2.468 -2.468 921 2HG1 VAL 121 2HG1 VAL 121 8.926 -0.774 -0.774 922 3HG1 VAL 121 1HG1 VAL 121 8.578 -1.607 -1.607 923 1HG2 VAL 121 1HG2 VAL 121 6.187 -0.299 -0.299 924 2HG2 VAL 121 3HG2 VAL 121 5.153 -1.623 -1.623 925 3HG2 VAL 121 2HG2 VAL 121 6.246 -0.935 -0.935 926 H MET 122 H MET 122 5.419 -0.613 -0.613 927 HA MET 122 HA MET 122 3.233 -2.519 -2.519 928 1HB MET 122 2HB MET 122 3.549 0.389 0.389 929 2HB MET 122 1HB MET 122 2.233 -0.522 -0.522 930 1HG MET 122 2HG MET 122 1.447 -1.207 -1.207 931 2HG MET 122 1HG MET 122 2.793 -0.390 -0.390 932 1HE MET 122 1HE MET 122 2.736 1.535 1.535 933 2HE MET 122 3HE MET 122 1.431 2.698 2.698 934 3HE MET 122 2HE MET 122 1.189 1.073 1.073 935 H ARG 123 H ARG 123 5.316 -1.013 -1.013 936 HA ARG 123 HA ARG 123 4.219 -1.984 -1.984 937 1HB ARG 123 2HB ARG 123 6.387 -0.523 -0.523 938 2HB ARG 123 1HB ARG 123 7.197 -2.065 -2.065 939 1HG ARG 123 2HG ARG 123 6.499 -2.261 -2.261 940 2HG ARG 123 1HG ARG 123 5.667 -0.724 -0.724 941 1HD ARG 123 2HD ARG 123 7.998 -0.445 -0.445 942 2HD ARG 123 1HD ARG 123 7.791 0.430 0.430 943 HE ARG 123 HE ARG 123 8.992 -2.314 -2.314 944 1HH1 ARG 123 2HH1 ARG 123 8.982 0.853 0.853 945 2HH1 ARG 123 1HH1 ARG 123 10.318 0.426 0.426 946 1HH2 ARG 123 1HH2 ARG 123 10.716 -2.781 -2.781 947 2HH2 ARG 123 2HH2 ARG 123 11.250 -1.572 -1.572 948 H GLY 124 H GLY 124 6.343 -3.630 -3.630 949 1HA GLY 124 2HA GLY 124 6.393 -6.129 -6.129 950 2HA GLY 124 1HA GLY 124 6.752 -5.950 -5.950 951 H LEU 125 H LEU 125 4.532 -5.035 -5.035 952 HA LEU 125 HA LEU 125 2.755 -7.158 -7.158 953 1HB LEU 125 2HB LEU 125 2.948 -4.659 -4.659 954 2HB LEU 125 1HB LEU 125 1.796 -4.228 -4.228 955 HG LEU 125 HG LEU 125 0.463 -4.511 -4.511 956 1HD1 LEU 125 1HD1 LEU 125 0.389 -7.208 -7.208 957 2HD1 LEU 125 3HD1 LEU 125 -0.851 -6.592 -6.592 958 3HD1 LEU 125 2HD1 LEU 125 -0.503 -5.756 -5.756 959 1HD2 LEU 125 1HD2 LEU 125 2.038 -6.978 -6.978 960 2HD2 LEU 125 3HD2 LEU 125 2.090 -5.403 -5.403 961 3HD2 LEU 125 2HD2 LEU 125 0.629 -6.363 -6.363 962 H LEU 126 H LEU 126 2.108 -4.516 -4.516 963 HA LEU 126 HA LEU 126 -0.073 -5.590 -5.590 964 1HB LEU 126 2HB LEU 126 2.060 -3.648 -3.648 965 2HB LEU 126 1HB LEU 126 1.113 -4.270 -4.270 966 HG LEU 126 HG LEU 126 -0.918 -3.806 -3.806 967 1HD1 LEU 126 3HD1 LEU 126 1.060 -1.672 -1.672 968 2HD1 LEU 126 2HD1 LEU 126 -0.636 -1.801 -1.801 969 3HD1 LEU 126 1HD1 LEU 126 0.476 -2.936 -2.936 970 1HD2 LEU 126 2HD2 LEU 126 -0.877 -2.767 -2.767 971 2HD2 LEU 126 1HD2 LEU 126 -1.397 -1.772 -1.772 972 3HD2 LEU 126 3HD2 LEU 126 0.204 -1.539 -1.539 973 H SER 127 H SER 127 3.210 -5.895 -5.895 974 HA SER 127 HA SER 127 2.788 -7.626 -7.626 975 1HB SER 127 2HB SER 127 5.089 -7.671 -7.671 976 2HB SER 127 1HB SER 127 5.149 -8.391 -8.391 977 HG SER 127 HG SER 127 4.924 -5.682 -5.682 978 H ASN 128 H ASN 128 3.432 -8.613 -8.613 979 HA ASN 128 HA ASN 128 2.944 -11.428 -11.428 980 1HB ASN 128 2HB ASN 128 2.307 -9.594 -9.594 981 2HB ASN 128 1HB ASN 128 2.373 -11.339 -11.339 982 1HD2 ASN 128 2HD2 ASN 128 5.745 -9.195 -9.195 983 2HD2 ASN 128 1HD2 ASN 128 4.264 -8.421 -8.421 984 H VAL 129 H VAL 129 0.689 -8.739 -8.739 985 HA VAL 129 HA VAL 129 -1.471 -10.636 -10.636 986 HB VAL 129 HB VAL 129 -1.289 -7.669 -7.669 987 1HG1 VAL 129 3HG1 VAL 129 -3.731 -9.389 -9.389 988 2HG1 VAL 129 2HG1 VAL 129 -3.885 -7.676 -7.676 989 3HG1 VAL 129 1HG1 VAL 129 -2.903 -8.293 -8.293 990 1HG2 VAL 129 1HG2 VAL 129 -1.672 -8.698 -8.698 991 2HG2 VAL 129 3HG2 VAL 129 -3.019 -7.674 -7.674 992 3HG2 VAL 129 2HG2 VAL 129 -3.150 -9.419 -9.419 993 H LEU 130 H LEU 130 -0.158 -9.029 -9.029 994 HA LEU 130 HA LEU 130 -2.054 -10.231 -10.231 995 1HB LEU 130 2HB LEU 130 0.614 -8.870 -8.870 996 2HB LEU 130 1HB LEU 130 -0.235 -9.507 -9.507 997 HG LEU 130 HG LEU 130 -1.138 -7.408 -7.408 998 1HD1 LEU 130 1HD1 LEU 130 0.206 -6.607 -6.607 999 2HD1 LEU 130 3HD1 LEU 130 -0.943 -7.381 -7.381 1000 3HD1 LEU 130 2HD1 LEU 130 -1.444 -6.033 -6.033 1001 1HD2 LEU 130 1HD2 LEU 130 -2.925 -8.661 -8.661 1002 2HD2 LEU 130 3HD2 LEU 130 -3.166 -8.701 -8.701 1003 3HD2 LEU 130 2HD2 LEU 130 -3.256 -7.199 -7.199 1004 H CYS 131 H CYS 131 0.963 -11.321 -11.321 1005 HA CYS 131 HA CYS 131 1.576 -13.367 -13.367 1006 1HB CYS 131 2HB CYS 131 1.738 -13.588 -13.588 1007 2HB CYS 131 1HB CYS 131 2.506 -14.654 -14.654 1008 H ARG 132 H ARG 132 -0.425 -13.242 -13.242 1009 HA ARG 132 HA ARG 132 -1.616 -15.902 -15.902 1010 1HB ARG 132 2HB ARG 132 -1.184 -15.197 -15.197 1011 2HB ARG 132 1HB ARG 132 -2.462 -13.985 -13.985 1012 1HG ARG 132 2HG ARG 132 -4.147 -15.637 -15.637 1013 2HG ARG 132 1HG ARG 132 -3.027 -16.901 -16.901 1014 1HD ARG 132 2HD ARG 132 -3.639 -17.446 -17.446 1015 2HD ARG 132 1HD ARG 132 -2.082 -16.697 -16.697 1016 HE ARG 132 HE ARG 132 -3.082 -14.632 -14.632 1017 1HH1 ARG 132 2HH1 ARG 132 -5.295 -17.302 -17.302 1018 2HH1 ARG 132 1HH1 ARG 132 -6.453 -16.606 -16.606 1019 1HH2 ARG 132 1HH2 ARG 132 -4.621 -13.702 -13.702 1020 2HH2 ARG 132 2HH2 ARG 132 -6.064 -14.604 -14.604 1021 H LEU 133 H LEU 133 -2.809 -12.593 -12.593 1022 HA LEU 133 HA LEU 133 -5.489 -13.066 -13.066 1023 1HB LEU 133 2HB LEU 133 -3.830 -10.839 -10.839 1024 2HB LEU 133 1HB LEU 133 -4.270 -10.917 -10.917 1025 HG LEU 133 HG LEU 133 -6.651 -10.688 -10.688 1026 1HD1 LEU 133 3HD1 LEU 133 -5.706 -10.855 -10.855 1027 2HD1 LEU 133 2HD1 LEU 133 -7.331 -10.413 -10.413 1028 3HD1 LEU 133 1HD1 LEU 133 -6.754 -12.038 -12.038 1029 1HD2 LEU 133 3HD2 LEU 133 -4.868 -8.836 -8.836 1030 2HD2 LEU 133 2HD2 LEU 133 -5.363 -8.566 -8.566 1031 3HD2 LEU 133 1HD2 LEU 133 -6.519 -8.508 -8.508 1032 H CYS 134 H CYS 134 -3.014 -12.847 -12.847 1033 HA CYS 134 HA CYS 134 -5.047 -13.685 -13.685 1034 1HB CYS 134 2HB CYS 134 -2.912 -12.620 -12.620 1035 2HB CYS 134 1HB CYS 134 -2.005 -13.938 -13.938 1036 H ASN 135 H ASN 135 -2.537 -15.354 -15.354 1037 HA ASN 135 HA ASN 135 -2.318 -17.808 -17.808 1038 1HB ASN 135 2HB ASN 135 -1.740 -17.050 -17.050 1039 2HB ASN 135 1HB ASN 135 -3.429 -17.212 -17.212 1040 1HD2 ASN 135 2HD2 ASN 135 -2.326 -20.930 -20.930 1041 2HD2 ASN 135 1HD2 ASN 135 -2.617 -19.834 -19.834 1042 H LYS 136 H LYS 136 -5.524 -16.882 -16.882 1043 HA LYS 136 HA LYS 136 -6.829 -18.863 -18.863 1044 1HB LYS 136 2HB LYS 136 -6.294 -19.373 -19.373 1045 2HB LYS 136 1HB LYS 136 -7.775 -19.988 -19.988 1046 1HG LYS 136 2HG LYS 136 -6.004 -21.019 -21.019 1047 2HG LYS 136 1HG LYS 136 -4.924 -20.879 -20.879 1048 1HD LYS 136 2HD LYS 136 -5.800 -23.113 -23.113 1049 2HD LYS 136 1HD LYS 136 -6.487 -22.233 -22.233 1050 1HE LYS 136 2HE LYS 136 -8.613 -21.857 -21.857 1051 2HE LYS 136 1HE LYS 136 -7.898 -22.669 -22.669 1052 1HZ LYS 136 2HZ LYS 136 -7.679 -24.365 -24.365 1053 2HZ LYS 136 1HZ LYS 136 -9.272 -23.789 -23.789 1054 3HZ LYS 136 3HZ LYS 136 -8.602 -24.585 -24.585 1055 H TYR 137 H TYR 137 -7.045 -15.955 -15.955 1056 HA TYR 137 HA TYR 137 -9.673 -16.224 -16.224 1057 1HB TYR 137 2HB TYR 137 -7.996 -13.811 -13.811 1058 2HB TYR 137 1HB TYR 137 -9.542 -13.796 -13.796 1059 HD1 TYR 137 HD1 TYR 137 -6.550 -16.233 -16.233 1060 HD2 TYR 137 HD2 TYR 137 -9.221 -13.337 -13.337 1061 HE1 TYR 137 HE1 TYR 137 -5.598 -16.543 -16.543 1062 HE2 TYR 137 HE2 TYR 137 -8.244 -13.635 -13.635 1063 HH TYR 137 HH TYR 137 -7.012 -15.691 -15.691 1064 H ARG 138 H ARG 138 -8.758 -13.987 -13.987 1065 HA ARG 138 HA ARG 138 -11.205 -14.701 -14.701 1066 1HB ARG 138 2HB ARG 138 -11.685 -12.727 -12.727 1067 2HB ARG 138 1HB ARG 138 -10.663 -11.747 -11.747 1068 1HG ARG 138 2HG ARG 138 -12.157 -12.199 -12.199 1069 2HG ARG 138 1HG ARG 138 -13.199 -13.205 -13.205 1070 1HD ARG 138 2HD ARG 138 -13.674 -11.185 -11.185 1071 2HD ARG 138 1HD ARG 138 -12.681 -10.218 -10.218 1072 HE ARG 138 HE ARG 138 -14.225 -10.753 -10.753 1073 1HH1 ARG 138 2HH1 ARG 138 -15.440 -11.096 -11.096 1074 2HH1 ARG 138 1HH1 ARG 138 -17.104 -10.986 -10.986 1075 1HH2 ARG 138 1HH2 ARG 138 -16.360 -10.537 -10.537 1076 2HH2 ARG 138 2HH2 ARG 138 -17.622 -10.617 -10.617 1077 H VAL 139 H VAL 139 -9.001 -15.512 -15.512 1078 HA VAL 139 HA VAL 139 -7.513 -15.803 -15.803 1079 HB VAL 139 HB VAL 139 -7.865 -14.822 -14.822 1080 1HG1 VAL 139 2HG1 VAL 139 -10.068 -15.421 -15.421 1081 2HG1 VAL 139 1HG1 VAL 139 -10.365 -13.814 -13.814 1082 3HG1 VAL 139 3HG1 VAL 139 -10.127 -14.014 -14.014 1083 1HG2 VAL 139 2HG2 VAL 139 -8.206 -12.084 -12.084 1084 2HG2 VAL 139 1HG2 VAL 139 -6.809 -12.700 -12.700 1085 3HG2 VAL 139 3HG2 VAL 139 -8.314 -12.432 -12.432 1086 H GLY 140 H GLY 140 -7.750 -12.928 -12.928 1087 1HA GLY 140 2HA GLY 140 -5.690 -12.172 -12.172 1088 2HA GLY 140 1HA GLY 140 -4.805 -12.315 -12.315 1089 H HIS 141 H HIS 141 -7.950 -11.040 -11.040 1090 HA HIS 141 HA HIS 141 -6.974 -8.359 -8.359 1091 1HB HIS 141 2HB HIS 141 -9.714 -9.684 -9.684 1092 2HB HIS 141 1HB HIS 141 -9.636 -7.939 -7.939 1093 HD1 HIS 141 HD1 HIS 141 -8.596 -10.575 -10.575 1094 HD2 HIS 141 HD2 HIS 141 -9.036 -6.527 -6.527 1095 HE1 HIS 141 HE1 HIS 141 -8.313 -9.691 -9.691 1096 H VAL 142 H VAL 142 -6.202 -7.373 -7.373 1097 HA VAL 142 HA VAL 142 -7.391 -7.376 -7.376 1098 HB VAL 142 HB VAL 142 -4.941 -7.556 -7.556 1099 1HG1 VAL 142 3HG1 VAL 142 -4.486 -6.630 -6.630 1100 2HG1 VAL 142 2HG1 VAL 142 -4.819 -5.010 -5.010 1101 3HG1 VAL 142 1HG1 VAL 142 -3.449 -5.901 -5.901 1102 1HG2 VAL 142 1HG2 VAL 142 -5.704 -4.678 -4.678 1103 2HG2 VAL 142 3HG2 VAL 142 -5.780 -6.070 -6.070 1104 3HG2 VAL 142 2HG2 VAL 142 -4.228 -5.453 -5.453 1105 H ASP 143 H ASP 143 -6.498 -5.338 -5.338 1106 HA ASP 143 HA ASP 143 -7.352 -3.447 -3.447 1107 1HB ASP 143 2HB ASP 143 -9.664 -3.692 -3.692 1108 2HB ASP 143 1HB ASP 143 -9.680 -2.865 -2.865 1109 H VAL 144 H VAL 144 -6.884 -1.369 -1.369 1110 HA VAL 144 HA VAL 144 -6.317 -0.364 -0.364 1111 HB VAL 144 HB VAL 144 -4.889 0.343 0.343 1112 1HG1 VAL 144 3HG1 VAL 144 -4.091 1.032 1.032 1113 2HG1 VAL 144 2HG1 VAL 144 -3.158 1.397 1.397 1114 3HG1 VAL 144 1HG1 VAL 144 -4.703 2.172 2.172 1115 1HG2 VAL 144 3HG2 VAL 144 -4.033 -1.459 -1.459 1116 2HG2 VAL 144 2HG2 VAL 144 -4.471 -1.999 -1.999 1117 3HG2 VAL 144 1HG2 VAL 144 -3.018 -1.055 -1.055 1118 HA PRO 145 HA PRO 145 -8.824 3.138 3.138 1119 1HB PRO 145 2HB PRO 145 -9.156 4.367 4.367 1120 2HB PRO 145 1HB PRO 145 -9.632 2.666 2.666 1121 1HG PRO 145 2HG PRO 145 -7.069 3.878 3.878 1122 2HG PRO 145 1HG PRO 145 -8.034 2.579 2.579 1123 1HD PRO 145 2HD PRO 145 -5.732 2.290 2.290 1124 2HD PRO 145 1HD PRO 145 -6.834 0.976 0.976 1125 HA PRO 146 HA PRO 146 -6.053 6.684 6.684 1126 1HB PRO 146 2HB PRO 146 -7.546 8.850 8.850 1127 2HB PRO 146 1HB PRO 146 -7.795 8.128 8.128 1128 1HG PRO 146 2HG PRO 146 -9.229 7.422 7.422 1129 2HG PRO 146 1HG PRO 146 -9.979 7.887 7.887 1130 1HD PRO 146 2HD PRO 146 -9.756 5.268 5.268 1131 2HD PRO 146 1HD PRO 146 -9.217 5.799 5.799 1132 H VAL 147 H VAL 147 -4.909 8.307 8.307 1133 HA VAL 147 HA VAL 147 -4.679 7.609 7.609 1134 HB VAL 147 HB VAL 147 -2.311 8.554 8.554 1135 1HG1 VAL 147 2HG1 VAL 147 -2.110 8.818 8.818 1136 2HG1 VAL 147 1HG1 VAL 147 -2.465 7.118 7.118 1137 3HG1 VAL 147 3HG1 VAL 147 -0.996 7.625 7.625 1138 1HG2 VAL 147 3HG2 VAL 147 -3.079 5.672 5.672 1139 2HG2 VAL 147 2HG2 VAL 147 -3.114 6.406 6.406 1140 3HG2 VAL 147 1HG2 VAL 147 -1.583 6.203 6.203 1141 HA PRO 148 HA PRO 148 -3.445 12.106 12.106 1142 1HB PRO 148 2HB PRO 148 -3.100 13.623 13.623 1143 2HB PRO 148 1HB PRO 148 -1.974 12.284 12.284 1144 1HG PRO 148 2HG PRO 148 -4.487 12.343 12.343 1145 2HG PRO 148 1HG PRO 148 -2.877 11.797 11.797 1146 1HD PRO 148 2HD PRO 148 -4.885 10.096 10.096 1147 2HD PRO 148 1HD PRO 148 -3.155 9.715 9.715 1148 H ASP 149 H ASP 149 -5.715 11.545 11.545 1149 HA ASP 149 HA ASP 149 -7.595 13.658 13.658 1150 1HB ASP 149 2HB ASP 149 -8.043 11.253 11.253 1151 2HB ASP 149 1HB ASP 149 -8.468 10.862 10.862 1152 H HIS 150 H HIS 150 -6.533 14.761 14.761 1153 HA HIS 150 HA HIS 150 -8.162 14.354 14.354 1154 1HB HIS 150 2HB HIS 150 -5.201 15.051 15.051 1155 2HB HIS 150 1HB HIS 150 -6.310 14.383 14.383 1156 HD1 HIS 150 HD1 HIS 150 -7.213 11.825 11.825 1157 HD2 HIS 150 HD2 HIS 150 -3.496 13.116 13.116 1158 HE1 HIS 150 HE1 HIS 150 -5.928 9.822 9.822 1159 H SER 151 H SER 151 -8.208 16.123 16.123 1160 HA SER 151 HA SER 151 -7.384 18.824 18.824 1161 1HB SER 151 2HB SER 151 -7.383 17.818 17.818 1162 2HB SER 151 1HB SER 151 -9.093 18.254 18.254 1163 HG SER 151 HG SER 151 -8.129 20.109 20.109 1164 H ASP 152 H ASP 152 -8.627 17.956 17.956 1165 HA ASP 152 HA ASP 152 -11.530 18.636 18.636 1166 1HB ASP 152 2HB ASP 152 -10.549 17.275 17.275 1167 2HB ASP 152 1HB ASP 152 -11.866 16.839 16.839 1168 H LYS 153 H LYS 153 -8.433 19.504 19.504 1169 HA LYS 153 HA LYS 153 -9.515 21.885 21.885 1170 1HB LYS 153 2HB LYS 153 -7.517 19.966 19.966 1171 2HB LYS 153 1HB LYS 153 -8.146 21.468 21.468 1172 1HG LYS 153 2HG LYS 153 -10.452 20.441 20.441 1173 2HG LYS 153 1HG LYS 153 -9.791 18.940 18.940 1174 1HD LYS 153 2HD LYS 153 -9.014 18.285 18.285 1175 2HD LYS 153 1HD LYS 153 -8.179 19.777 19.777 1176 1HE LYS 153 2HE LYS 153 -9.692 19.716 19.716 1177 2HE LYS 153 1HE LYS 153 -10.506 20.796 20.796 1178 1HZ LYS 153 3HZ LYS 153 -11.268 18.081 18.081 1179 2HZ LYS 153 2HZ LYS 153 -11.496 18.494 18.494 1180 3HZ LYS 153 1HZ LYS 153 -12.247 19.412 19.412 1181 H GLU 154 H GLU 154 -7.611 23.629 23.629 1182 HA GLU 154 HA GLU 154 -5.782 22.927 22.927 1183 1HB GLU 154 2HB GLU 154 -6.525 25.583 25.583 1184 2HB GLU 154 1HB GLU 154 -5.300 25.431 25.431 1185 1HG GLU 154 2HG GLU 154 -8.030 24.173 24.173 1186 2HG GLU 154 1HG GLU 154 -7.786 25.885 25.885 1187 H VAL 155 H VAL 155 -4.869 25.121 25.121 1188 HA VAL 155 HA VAL 155 -2.131 24.483 24.483 1189 HB VAL 155 HB VAL 155 -3.967 25.466 25.466 1190 1HG1 VAL 155 1HG1 VAL 155 -1.719 24.748 24.748 1191 2HG1 VAL 155 3HG1 VAL 155 -0.942 25.801 25.801 1192 3HG1 VAL 155 2HG1 VAL 155 -1.918 26.485 26.485 1193 1HG2 VAL 155 3HG2 VAL 155 -2.297 27.020 27.020 1194 2HG2 VAL 155 2HG2 VAL 155 -4.046 26.918 26.918 1195 3HG2 VAL 155 1HG2 VAL 155 -3.226 27.754 27.754 1196 H PHE 156 H PHE 156 -4.869 23.093 23.093 1197 HA PHE 156 HA PHE 156 -3.548 21.113 21.113 1198 1HB PHE 156 2HB PHE 156 -6.337 21.017 21.017 1199 2HB PHE 156 1HB PHE 156 -5.833 20.374 20.374 1200 HD1 PHE 156 HD2 PHE 156 -4.174 23.310 23.310 1201 HD2 PHE 156 HD1 PHE 156 -8.235 22.058 22.058 1202 HE1 PHE 156 HE2 PHE 156 -4.934 25.392 25.392 1203 HE2 PHE 156 HE1 PHE 156 -8.985 24.146 24.146 1204 HZ PHE 156 HZ PHE 156 -7.334 25.843 25.843 1205 H GLN 157 H GLN 157 -5.017 21.103 21.103 1206 HA GLN 157 HA GLN 157 -4.760 18.326 18.326 1207 1HB GLN 157 2HB GLN 157 -5.656 19.368 19.368 1208 2HB GLN 157 1HB GLN 157 -4.568 20.729 20.729 1209 1HG GLN 157 2HG GLN 157 -3.761 17.917 17.917 1210 2HG GLN 157 1HG GLN 157 -4.334 19.151 19.151 1211 1HE2 GLN 157 2HE2 GLN 157 -0.493 19.174 19.174 1212 2HE2 GLN 157 1HE2 GLN 157 -1.493 17.804 17.804 1213 H LYS 158 H LYS 158 -2.353 20.833 20.833 1214 HA LYS 158 HA LYS 158 -0.235 18.942 18.942 1215 1HB LYS 158 2HB LYS 158 -0.400 21.607 21.607 1216 2HB LYS 158 1HB LYS 158 0.370 21.586 21.586 1217 1HG LYS 158 2HG LYS 158 2.343 20.485 20.485 1218 2HG LYS 158 1HG LYS 158 1.544 20.003 20.003 1219 1HD LYS 158 2HD LYS 158 1.211 22.594 22.594 1220 2HD LYS 158 1HD LYS 158 2.439 22.802 22.802 1221 1HE LYS 158 2HE LYS 158 2.790 21.097 21.097 1222 2HE LYS 158 1HE LYS 158 3.287 22.776 22.776 1223 1HZ LYS 158 3HZ LYS 158 4.425 21.290 21.290 1224 2HZ LYS 158 2HZ LYS 158 4.679 20.496 20.496 1225 3HZ LYS 158 1HZ LYS 158 5.221 22.064 22.064 1226 H LYS 159 H LYS 159 -0.829 20.685 20.685 1227 HA LYS 159 HA LYS 159 1.069 19.138 19.138 1228 1HB LYS 159 2HB LYS 159 -1.079 21.100 21.100 1229 2HB LYS 159 1HB LYS 159 -0.610 19.998 19.998 1230 1HG LYS 159 2HG LYS 159 0.801 21.825 21.825 1231 2HG LYS 159 1HG LYS 159 1.827 20.717 20.717 1232 1HD LYS 159 2HD LYS 159 1.483 21.947 21.947 1233 2HD LYS 159 1HD LYS 159 0.382 23.069 23.069 1234 1HE LYS 159 2HE LYS 159 3.327 22.637 22.637 1235 2HE LYS 159 1HE LYS 159 2.670 24.054 24.054 1236 1HZ LYS 159 2HZ LYS 159 1.228 23.641 23.641 1237 2HZ LYS 159 1HZ LYS 159 2.847 23.512 23.512 1238 3HZ LYS 159 3HZ LYS 159 2.274 24.934 24.934 1239 H LYS 160 H LYS 160 -2.317 18.831 18.831 1240 HA LYS 160 HA LYS 160 -2.418 16.560 16.560 1241 1HB LYS 160 2HB LYS 160 -4.519 17.428 17.428 1242 2HB LYS 160 1HB LYS 160 -4.339 18.547 18.547 1243 1HG LYS 160 2HG LYS 160 -5.521 15.754 15.754 1244 2HG LYS 160 1HG LYS 160 -6.455 17.214 17.214 1245 1HD LYS 160 2HD LYS 160 -5.742 18.083 18.083 1246 2HD LYS 160 1HD LYS 160 -4.398 17.003 17.003 1247 1HE LYS 160 2HE LYS 160 -5.656 15.736 15.736 1248 2HE LYS 160 1HE LYS 160 -6.593 15.249 15.249 1249 1HZ LYS 160 3HZ LYS 160 -7.464 17.817 17.817 1250 2HZ LYS 160 2HZ LYS 160 -7.509 16.619 16.619 1251 3HZ LYS 160 1HZ LYS 160 -8.360 16.397 16.397 1252 H LEU 161 H LEU 161 -1.802 16.862 16.862 1253 HA LEU 161 HA LEU 161 -3.035 15.090 15.090 1254 1HB LEU 161 2HB LEU 161 -0.621 16.247 16.247 1255 2HB LEU 161 1HB LEU 161 -0.056 14.700 14.700 1256 HG LEU 161 HG LEU 161 0.049 14.977 14.977 1257 1HD1 LEU 161 1HD1 LEU 161 -0.128 12.651 12.651 1258 2HD1 LEU 161 3HD1 LEU 161 -1.871 12.750 12.750 1259 3HD1 LEU 161 2HD1 LEU 161 -0.841 12.746 12.746 1260 1HD2 LEU 161 1HD2 LEU 161 -2.122 16.245 16.245 1261 2HD2 LEU 161 3HD2 LEU 161 -2.079 14.845 14.845 1262 3HD2 LEU 161 2HD2 LEU 161 -3.006 14.798 14.798 1263 H GLY 162 H GLY 162 -0.990 14.147 14.147 1264 1HA GLY 162 2HA GLY 162 -1.846 11.310 11.310 1265 2HA GLY 162 1HA GLY 162 -0.393 11.820 11.820 1266 H CYS 163 H CYS 163 -2.332 13.986 13.986 1267 HA CYS 163 HA CYS 163 -2.798 12.856 12.856 1268 1HB CYS 163 2HB CYS 163 -2.239 15.167 15.167 1269 2HB CYS 163 1HB CYS 163 -3.978 15.409 15.409 1270 H GLN 164 H GLN 164 -5.165 13.941 13.941 1271 HA GLN 164 HA GLN 164 -7.489 12.939 12.939 1272 1HB GLN 164 2HB GLN 164 -7.087 13.089 13.089 1273 2HB GLN 164 1HB GLN 164 -8.560 12.524 12.524 1274 1HG GLN 164 2HG GLN 164 -9.010 14.673 14.673 1275 2HG GLN 164 1HG GLN 164 -7.481 15.327 15.327 1276 1HE2 GLN 164 2HE2 GLN 164 -9.560 14.483 14.483 1277 2HE2 GLN 164 1HE2 GLN 164 -8.858 13.264 13.264 1278 H LEU 165 H LEU 165 -5.130 11.699 11.699 1279 HA LEU 165 HA LEU 165 -6.151 9.014 9.014 1280 1HB LEU 165 2HB LEU 165 -3.322 10.047 10.047 1281 2HB LEU 165 1HB LEU 165 -3.857 8.441 8.441 1282 HG LEU 165 HG LEU 165 -4.853 10.972 10.972 1283 1HD1 LEU 165 2HD1 LEU 165 -3.143 8.609 8.609 1284 2HD1 LEU 165 1HD1 LEU 165 -3.675 9.958 9.958 1285 3HD1 LEU 165 3HD1 LEU 165 -2.530 10.235 10.235 1286 1HD2 LEU 165 2HD2 LEU 165 -5.524 8.012 8.012 1287 2HD2 LEU 165 1HD2 LEU 165 -6.657 9.179 9.179 1288 3HD2 LEU 165 3HD2 LEU 165 -6.074 9.357 9.357 1289 H LEU 166 H LEU 166 -3.811 10.537 10.537 1290 HA LEU 166 HA LEU 166 -3.324 7.900 7.900 1291 1HB LEU 166 2HB LEU 166 -2.539 10.623 10.623 1292 2HB LEU 166 1HB LEU 166 -2.903 9.650 9.650 1293 HG LEU 166 HG LEU 166 -0.540 9.400 9.400 1294 1HD1 LEU 166 1HD1 LEU 166 -2.116 6.787 6.787 1295 2HD1 LEU 166 3HD1 LEU 166 -0.424 6.860 6.860 1296 3HD1 LEU 166 2HD1 LEU 166 -1.583 7.382 7.382 1297 1HD2 LEU 166 3HD2 LEU 166 -1.599 8.341 8.341 1298 2HD2 LEU 166 2HD2 LEU 166 -0.707 9.832 9.832 1299 3HD2 LEU 166 1HD2 LEU 166 0.082 8.285 8.285 1300 H GLY 167 H GLY 167 -5.528 10.474 10.474 1301 1HA GLY 167 2HA GLY 167 -6.726 9.372 9.372 1302 2HA GLY 167 1HA GLY 167 -7.631 10.261 10.261 1303 H THR 168 H THR 168 -7.893 8.952 8.952 1304 HA THR 168 HA THR 168 -9.676 6.745 6.745 1305 HB THR 168 HB THR 168 -8.861 6.094 6.094 1306 HG1 THR 168 HG1 THR 168 -7.857 8.729 8.729 1307 1HG2 THR 168 1HG2 THR 168 -10.049 8.852 8.852 1308 2HG2 THR 168 3HG2 THR 168 -10.054 7.846 7.846 1309 3HG2 THR 168 2HG2 THR 168 -10.953 7.334 7.334 1310 H TYR 169 H TYR 169 -6.513 6.608 6.608 1311 HA TYR 169 HA TYR 169 -5.870 3.970 3.970 1312 1HB TYR 169 2HB TYR 169 -4.340 5.667 5.667 1313 2HB TYR 169 1HB TYR 169 -4.161 6.229 6.229 1314 HD1 TYR 169 HD1 TYR 169 -2.941 4.850 4.850 1315 HD2 TYR 169 HD2 TYR 169 -2.878 3.878 3.878 1316 HE1 TYR 169 HE1 TYR 169 -0.899 3.491 3.491 1317 HE2 TYR 169 HE2 TYR 169 -0.871 2.538 2.538 1318 HH TYR 169 HH TYR 169 0.980 3.149 3.149 1319 H LYS 170 H LYS 170 -5.930 6.009 6.009 1320 HA LYS 170 HA LYS 170 -4.969 3.752 3.752 1321 1HB LYS 170 2HB LYS 170 -4.787 6.261 6.261 1322 2HB LYS 170 1HB LYS 170 -6.499 6.255 6.255 1323 1HG LYS 170 2HG LYS 170 -4.523 4.381 4.381 1324 2HG LYS 170 1HG LYS 170 -5.015 5.928 5.928 1325 1HD LYS 170 2HD LYS 170 -7.411 5.116 5.116 1326 2HD LYS 170 1HD LYS 170 -6.914 3.559 3.559 1327 1HE LYS 170 2HE LYS 170 -6.559 2.847 2.847 1328 2HE LYS 170 1HE LYS 170 -5.163 3.894 3.894 1329 1HZ LYS 170 2HZ LYS 170 -7.508 5.395 5.395 1330 2HZ LYS 170 1HZ LYS 170 -7.429 4.031 4.031 1331 3HZ LYS 170 3HZ LYS 170 -6.132 5.129 5.129 1332 H GLN 171 H GLN 171 -8.082 5.400 5.400 1333 HA GLN 171 HA GLN 171 -9.525 3.416 3.416 1334 1HB GLN 171 2HB GLN 171 -10.207 5.682 5.682 1335 2HB GLN 171 1HB GLN 171 -11.156 4.339 4.339 1336 1HG GLN 171 2HG GLN 171 -11.102 5.199 5.199 1337 2HG GLN 171 1HG GLN 171 -12.314 5.716 5.716 1338 1HE2 GLN 171 2HE2 GLN 171 -12.972 1.803 1.803 1339 2HE2 GLN 171 1HE2 GLN 171 -11.750 2.390 2.390 1340 H VAL 172 H VAL 172 -8.816 3.393 3.393 1341 HA VAL 172 HA VAL 172 -10.180 0.830 0.830 1342 HB VAL 172 HB VAL 172 -9.535 1.215 1.215 1343 1HG1 VAL 172 1HG1 VAL 172 -11.384 2.628 2.628 1344 2HG1 VAL 172 3HG1 VAL 172 -10.240 3.869 3.869 1345 3HG1 VAL 172 2HG1 VAL 172 -10.475 3.509 3.509 1346 1HG2 VAL 172 1HG2 VAL 172 -7.602 3.137 3.137 1347 2HG2 VAL 172 3HG2 VAL 172 -7.207 1.794 1.794 1348 3HG2 VAL 172 2HG2 VAL 172 -7.937 3.242 3.242 1349 H ILE 173 H ILE 173 -6.671 1.807 1.807 1350 HA ILE 173 HA ILE 173 -5.666 -0.772 -0.772 1351 HB ILE 173 HB ILE 173 -4.441 1.455 1.455 1352 1HG1 ILE 173 2HG1 ILE 173 -4.504 1.929 1.929 1353 2HG1 ILE 173 1HG1 ILE 173 -2.878 1.604 1.604 1354 1HG2 ILE 173 2HG2 ILE 173 -3.279 -1.182 -1.182 1355 2HG2 ILE 173 1HG2 ILE 173 -2.316 0.189 0.189 1356 3HG2 ILE 173 3HG2 ILE 173 -3.540 -0.543 -0.543 1357 1HD1 ILE 173 1HD1 ILE 173 -3.091 -0.733 -0.733 1358 2HD1 ILE 173 3HD1 ILE 173 -4.712 -0.370 -0.370 1359 3HD1 ILE 173 2HD1 ILE 173 -3.341 0.478 0.478 1360 H SER 174 H SER 174 -6.701 0.749 0.749 1361 HA SER 174 HA SER 174 -5.936 -1.484 -1.484 1362 1HB SER 174 2HB SER 174 -7.390 -0.304 -0.304 1363 2HB SER 174 1HB SER 174 -6.026 0.622 0.622 1364 HG SER 174 HG SER 174 -8.052 1.236 1.236 1365 H VAL 175 H VAL 175 -7.940 -1.439 -1.439 1366 HA VAL 175 HA VAL 175 -9.982 -3.265 -3.265 1367 HB VAL 175 HB VAL 175 -10.235 -0.874 -0.874 1368 1HG1 VAL 175 3HG1 VAL 175 -11.844 -3.390 -3.390 1369 2HG1 VAL 175 2HG1 VAL 175 -12.111 -1.793 -1.793 1370 3HG1 VAL 175 1HG1 VAL 175 -10.643 -2.666 -2.666 1371 1HG2 VAL 175 3HG2 VAL 175 -12.194 -2.441 -2.441 1372 2HG2 VAL 175 2HG2 VAL 175 -11.281 -1.017 -1.017 1373 3HG2 VAL 175 1HG2 VAL 175 -12.496 -0.879 -0.879 1374 H VAL 176 H VAL 176 -7.730 -2.558 -2.558 1375 HA VAL 176 HA VAL 176 -8.524 -5.018 -5.018 1376 HB VAL 176 HB VAL 176 -6.959 -4.566 -4.566 1377 1HG1 VAL 176 3HG1 VAL 176 -8.924 -3.198 -3.198 1378 2HG1 VAL 176 2HG1 VAL 176 -8.064 -1.975 -1.975 1379 3HG1 VAL 176 1HG1 VAL 176 -7.600 -2.323 -2.323 1380 1HG2 VAL 176 2HG2 VAL 176 -5.731 -2.605 -2.605 1381 2HG2 VAL 176 1HG2 VAL 176 -4.954 -4.039 -4.039 1382 3HG2 VAL 176 3HG2 VAL 176 -5.227 -2.711 -2.711 1383 H VAL 177 H VAL 177 -6.030 -3.833 -3.833 1384 HA VAL 177 HA VAL 177 -4.172 -5.988 -5.988 1385 HB VAL 177 HB VAL 177 -4.037 -3.549 -3.549 1386 1HG1 VAL 177 2HG1 VAL 177 -5.914 -3.590 -3.590 1387 2HG1 VAL 177 1HG1 VAL 177 -5.115 -4.833 -4.833 1388 3HG1 VAL 177 3HG1 VAL 177 -4.414 -3.231 -3.231 1389 1HG2 VAL 177 1HG2 VAL 177 -2.785 -5.791 -5.791 1390 2HG2 VAL 177 3HG2 VAL 177 -2.111 -5.009 -5.009 1391 3HG2 VAL 177 2HG2 VAL 177 -2.296 -4.106 -4.106 1392 H GLN 178 H GLN 178 -7.205 -5.321 -5.321 1393 HA GLN 178 HA GLN 178 -7.072 -7.910 -7.910 1394 1HB GLN 178 2HB GLN 178 -7.560 -5.614 -5.614 1395 2HB GLN 178 1HB GLN 178 -9.165 -5.786 -5.786 1396 1HG GLN 178 2HG GLN 178 -9.735 -7.586 -7.586 1397 2HG GLN 178 1HG GLN 178 -8.103 -8.227 -8.227 1398 1HE2 GLN 178 2HE2 GLN 178 -9.250 -6.098 -6.098 1399 2HE2 GLN 178 1HE2 GLN 178 -10.354 -6.693 -6.693 1400 H ALA 179 H ALA 179 -7.565 -7.431 -7.431 1401 HA ALA 179 HA ALA 179 -10.339 -8.524 -8.524 1402 1HB ALA 179 3HB ALA 179 -9.641 -6.632 -6.632 1403 2HB ALA 179 2HB ALA 179 -8.319 -7.643 -7.643 1404 3HB ALA 179 1HB ALA 179 -9.975 -8.125 -8.125 1405 H PHE 180 H PHE 180 -6.973 -8.864 -8.864 1406 HA PHE 180 HA PHE 180 -7.255 -11.791 -11.791 1407 1HB PHE 180 2HB PHE 180 -5.104 -11.380 -11.380 1408 2HB PHE 180 1HB PHE 180 -6.610 -10.805 -10.805 1409 HD1 PHE 180 HD1 PHE 180 -3.649 -9.536 -9.536 1410 HD2 PHE 180 HD2 PHE 180 -6.809 -8.643 -8.643 1411 HE1 PHE 180 HE1 PHE 180 -2.784 -7.253 -7.253 1412 HE2 PHE 180 HE2 PHE 180 -5.953 -6.377 -6.377 1413 HZ PHE 180 HZ PHE 180 -3.919 -5.691 -5.691 Start of MODEL 10 1 1H SER 1 2H SER 1 10.208 -9.671 -9.671 2 2H SER 1 1H SER 1 10.076 -8.371 -8.371 3 3H SER 1 3H SER 1 11.299 -8.349 -8.349 4 HA SER 1 HA SER 1 9.905 -7.276 -7.276 5 1HB SER 1 2HB SER 1 7.607 -7.825 -7.825 6 2HB SER 1 1HB SER 1 7.920 -6.337 -6.337 7 HG SER 1 HG SER 1 9.005 -5.800 -5.800 8 HA PRO 2 HA PRO 2 7.397 -10.613 -10.613 9 1HB PRO 2 2HB PRO 2 5.445 -9.289 -9.289 10 2HB PRO 2 1HB PRO 2 7.120 -9.257 -9.257 11 1HG PRO 2 2HG PRO 2 5.705 -7.186 -7.186 12 2HG PRO 2 1HG PRO 2 6.566 -6.887 -6.887 13 1HD PRO 2 2HD PRO 2 7.853 -6.568 -6.568 14 2HD PRO 2 1HD PRO 2 8.719 -7.326 -7.326 15 H LEU 3 H LEU 3 4.967 -11.304 -11.304 16 HA LEU 3 HA LEU 3 3.794 -10.419 -10.419 17 1HB LEU 3 2HB LEU 3 3.779 -13.210 -13.210 18 2HB LEU 3 1HB LEU 3 3.027 -12.767 -12.767 19 HG LEU 3 HG LEU 3 6.042 -12.568 -12.568 20 1HD1 LEU 3 2HD1 LEU 3 4.465 -14.545 -14.545 21 2HD1 LEU 3 1HD1 LEU 3 6.213 -14.479 -14.479 22 3HD1 LEU 3 3HD1 LEU 3 5.253 -14.912 -14.912 23 1HD2 LEU 3 2HD2 LEU 3 4.494 -12.163 -12.163 24 2HD2 LEU 3 1HD2 LEU 3 5.284 -10.887 -10.887 25 3HD2 LEU 3 3HD2 LEU 3 6.241 -12.144 -12.144 26 HA PRO 4 HA PRO 4 0.722 -9.843 -9.843 27 1HB PRO 4 2HB PRO 4 0.145 -7.222 -7.222 28 2HB PRO 4 1HB PRO 4 1.568 -7.695 -7.695 29 1HG PRO 4 2HG PRO 4 1.415 -7.081 -7.081 30 2HG PRO 4 1HG PRO 4 2.482 -6.331 -6.331 31 1HD PRO 4 2HD PRO 4 3.403 -8.414 -8.414 32 2HD PRO 4 1HD PRO 4 3.775 -8.367 -8.367 33 H ILE 5 H ILE 5 -0.164 -11.382 -11.382 34 HA ILE 5 HA ILE 5 -2.007 -10.164 -10.164 35 HB ILE 5 HB ILE 5 -1.369 -13.123 -13.123 36 1HG1 ILE 5 2HG1 ILE 5 -0.330 -11.245 -11.245 37 2HG1 ILE 5 1HG1 ILE 5 0.604 -11.829 -11.829 38 1HG2 ILE 5 2HG2 ILE 5 -3.601 -12.774 -12.774 39 2HG2 ILE 5 1HG2 ILE 5 -2.830 -11.835 -11.835 40 3HG2 ILE 5 3HG2 ILE 5 -2.485 -13.548 -13.548 41 1HD1 ILE 5 3HD1 ILE 5 0.358 -14.173 -14.173 42 2HD1 ILE 5 2HD1 ILE 5 -0.569 -13.616 -13.616 43 3HD1 ILE 5 1HD1 ILE 5 1.110 -13.160 -13.160 44 H THR 6 H THR 6 -2.039 -11.650 -11.650 45 HA THR 6 HA THR 6 -5.013 -11.458 -11.458 46 HB THR 6 HB THR 6 -4.088 -13.852 -13.852 47 HG1 THR 6 HG1 THR 6 -5.836 -14.216 -14.216 48 1HG2 THR 6 2HG2 THR 6 -2.072 -13.443 -13.443 49 2HG2 THR 6 1HG2 THR 6 -3.202 -13.166 -13.166 50 3HG2 THR 6 3HG2 THR 6 -3.102 -14.745 -14.745 51 HA PRO 7 HA PRO 7 -4.391 -8.834 -8.834 52 1HB PRO 7 2HB PRO 7 -6.840 -8.951 -8.951 53 2HB PRO 7 1HB PRO 7 -6.632 -8.170 -8.170 54 1HG PRO 7 2HG PRO 7 -7.451 -11.078 -11.078 55 2HG PRO 7 1HG PRO 7 -8.325 -9.909 -9.909 56 1HD PRO 7 2HD PRO 7 -6.625 -11.672 -11.672 57 2HD PRO 7 1HD PRO 7 -6.657 -9.999 -9.999 58 H VAL 8 H VAL 8 -2.804 -10.330 -10.330 59 HA VAL 8 HA VAL 8 -3.787 -11.975 -11.975 60 HB VAL 8 HB VAL 8 -3.049 -13.405 -13.405 61 1HG1 VAL 8 1HG1 VAL 8 -1.419 -11.870 -11.870 62 2HG1 VAL 8 3HG1 VAL 8 -0.321 -12.043 -12.043 63 3HG1 VAL 8 2HG1 VAL 8 -0.680 -13.424 -13.424 64 1HG2 VAL 8 1HG2 VAL 8 -1.161 -13.458 -13.458 65 2HG2 VAL 8 3HG2 VAL 8 -2.735 -14.203 -14.203 66 3HG2 VAL 8 2HG2 VAL 8 -1.422 -14.794 -14.794 67 H ASN 9 H ASN 9 -3.468 -9.722 -9.722 68 HA ASN 9 HA ASN 9 -0.661 -9.259 -9.259 69 1HB ASN 9 2HB ASN 9 -2.957 -7.338 -7.338 70 2HB ASN 9 1HB ASN 9 -1.497 -6.966 -6.966 71 1HD2 ASN 9 2HD2 ASN 9 -0.175 -7.962 -7.962 72 2HD2 ASN 9 1HD2 ASN 9 -0.544 -9.126 -9.126 73 H ALA 10 H ALA 10 -3.216 -10.644 -10.644 74 HA ALA 10 HA ALA 10 -2.825 -9.872 -9.872 75 1HB ALA 10 2HB ALA 10 -4.882 -8.735 -8.735 76 2HB ALA 10 1HB ALA 10 -5.550 -10.262 -10.262 77 3HB ALA 10 3HB ALA 10 -5.363 -9.937 -9.937 78 H THR 11 H THR 11 -1.508 -11.957 -11.957 79 HA THR 11 HA THR 11 -3.119 -14.372 -14.372 80 HB THR 11 HB THR 11 -0.644 -14.317 -14.317 81 HG1 THR 11 HG1 THR 11 -3.222 -13.472 -13.472 82 1HG2 THR 11 3HG2 THR 11 -1.526 -16.582 -16.582 83 2HG2 THR 11 2HG2 THR 11 -3.075 -16.196 -16.196 84 3HG2 THR 11 1HG2 THR 11 -1.659 -16.443 -16.443 85 H CYS 12 H CYS 12 -1.949 -12.755 -12.755 86 HA CYS 12 HA CYS 12 0.540 -13.237 -13.237 87 1HB CYS 12 2HB CYS 12 -0.948 -11.868 -11.868 88 2HB CYS 12 1HB CYS 12 -2.209 -13.024 -13.024 89 H ALA 13 H ALA 13 -2.004 -15.614 -15.614 90 HA ALA 13 HA ALA 13 -1.311 -17.643 -17.643 91 1HB ALA 13 2HB ALA 13 -3.050 -17.859 -17.859 92 2HB ALA 13 1HB ALA 13 -1.786 -17.985 -17.985 93 3HB ALA 13 3HB ALA 13 -1.956 -19.247 -19.247 94 H ILE 14 H ILE 14 0.441 -16.907 -16.907 95 HA ILE 14 HA ILE 14 2.537 -18.902 -18.902 96 HB ILE 14 HB ILE 14 3.283 -18.639 -18.639 97 1HG1 ILE 14 2HG1 ILE 14 1.559 -17.893 -17.893 98 2HG1 ILE 14 1HG1 ILE 14 0.514 -17.367 -17.367 99 1HG2 ILE 14 3HG2 ILE 14 2.017 -20.600 -20.600 100 2HG2 ILE 14 2HG2 ILE 14 0.505 -19.747 -19.747 101 3HG2 ILE 14 1HG2 ILE 14 1.492 -20.196 -20.196 102 1HD1 ILE 14 3HD1 ILE 14 3.268 -16.207 -16.207 103 2HD1 ILE 14 2HD1 ILE 14 1.724 -15.470 -15.470 104 3HD1 ILE 14 1HD1 ILE 14 2.195 -15.635 -15.635 105 H ARG 15 H ARG 15 2.278 -16.462 -16.462 106 HA ARG 15 HA ARG 15 4.617 -14.858 -14.858 107 1HB ARG 15 2HB ARG 15 2.488 -13.718 -13.718 108 2HB ARG 15 1HB ARG 15 2.421 -14.234 -14.234 109 1HG ARG 15 2HG ARG 15 4.613 -12.843 -12.843 110 2HG ARG 15 1HG ARG 15 4.227 -12.169 -12.169 111 1HD ARG 15 2HD ARG 15 1.841 -11.662 -11.662 112 2HD ARG 15 1HD ARG 15 2.414 -12.098 -12.098 113 HE ARG 15 HE ARG 15 3.568 -9.883 -9.883 114 1HH1 ARG 15 2HH1 ARG 15 2.768 -11.150 -11.150 115 2HH1 ARG 15 1HH1 ARG 15 3.252 -9.749 -9.749 116 1HH2 ARG 15 1HH2 ARG 15 4.245 -8.030 -8.030 117 2HH2 ARG 15 2HH2 ARG 15 4.125 -7.950 -7.950 118 H HIS 16 H HIS 16 3.599 -14.942 -14.942 119 HA HIS 16 HA HIS 16 6.140 -16.362 -16.362 120 1HB HIS 16 2HB HIS 16 4.992 -13.836 -13.836 121 2HB HIS 16 1HB HIS 16 6.123 -14.843 -14.843 122 HD1 HIS 16 HD1 HIS 16 7.278 -12.279 -12.279 123 HD2 HIS 16 HD2 HIS 16 7.538 -15.003 -15.003 124 HE1 HIS 16 HE1 HIS 16 9.127 -11.546 -11.546 125 HA PRO 17 HA PRO 17 2.837 -18.696 -18.696 126 1HB PRO 17 2HB PRO 17 4.236 -20.996 -20.996 127 2HB PRO 17 1HB PRO 17 3.546 -20.604 -20.604 128 1HG PRO 17 2HG PRO 17 6.400 -20.043 -20.043 129 2HG PRO 17 1HG PRO 17 5.941 -20.905 -20.905 130 1HD PRO 17 2HD PRO 17 6.539 -18.289 -18.289 131 2HD PRO 17 1HD PRO 17 5.149 -18.880 -18.880 132 H CYS 18 H CYS 18 3.135 -17.000 -17.000 133 HA CYS 18 HA CYS 18 5.104 -17.609 -17.609 134 1HB CYS 18 2HB CYS 18 4.497 -15.561 -15.561 135 2HB CYS 18 1HB CYS 18 4.586 -15.269 -15.269 136 H HIS 19 H HIS 19 4.613 -19.153 -19.153 137 HA HIS 19 HA HIS 19 1.872 -19.273 -19.273 138 1HB HIS 19 2HB HIS 19 3.564 -21.748 -21.748 139 2HB HIS 19 1HB HIS 19 1.850 -21.702 -21.702 140 HD1 HIS 19 HD1 HIS 19 1.234 -19.362 -19.362 141 HD2 HIS 19 HD2 HIS 19 3.223 -22.834 -22.834 142 HE1 HIS 19 HE1 HIS 19 0.984 -19.762 -19.762 143 H GLY 20 H GLY 20 2.846 -21.573 -21.573 144 1HA GLY 20 2HA GLY 20 4.139 -22.002 -22.002 145 2HA GLY 20 1HA GLY 20 5.115 -20.589 -20.589 146 H ASN 21 H ASN 21 3.877 -18.500 -18.500 147 HA ASN 21 HA ASN 21 2.262 -18.624 -18.624 148 1HB ASN 21 2HB ASN 21 4.569 -16.739 -16.739 149 2HB ASN 21 1HB ASN 21 3.385 -16.328 -16.328 150 1HD2 ASN 21 2HD2 ASN 21 6.287 -18.796 -18.796 151 2HD2 ASN 21 1HD2 ASN 21 6.377 -17.848 -17.848 152 H LEU 22 H LEU 22 3.169 -16.020 -16.020 153 HA LEU 22 HA LEU 22 1.967 -14.217 -14.217 154 1HB LEU 22 2HB LEU 22 1.244 -16.757 -16.757 155 2HB LEU 22 1HB LEU 22 -0.088 -15.647 -15.647 156 HG LEU 22 HG LEU 22 1.486 -15.535 -15.535 157 1HD1 LEU 22 1HD1 LEU 22 0.037 -13.588 -13.588 158 2HD1 LEU 22 3HD1 LEU 22 1.260 -12.950 -12.950 159 3HD1 LEU 22 2HD1 LEU 22 1.571 -13.069 -13.069 160 1HD2 LEU 22 1HD2 LEU 22 3.482 -14.337 -14.337 161 2HD2 LEU 22 3HD2 LEU 22 3.631 -15.876 -15.876 162 3HD2 LEU 22 2HD2 LEU 22 3.639 -14.368 -14.368 163 H MET 23 H MET 23 -0.817 -16.333 -16.333 164 HA MET 23 HA MET 23 -2.721 -14.339 -14.339 165 1HB MET 23 2HB MET 23 -3.302 -16.729 -16.729 166 2HB MET 23 1HB MET 23 -2.297 -16.912 -16.912 167 1HG MET 23 2HG MET 23 -3.792 -15.521 -15.521 168 2HG MET 23 1HG MET 23 -4.669 -15.014 -15.014 169 1HE MET 23 3HE MET 23 -3.884 -17.731 -17.731 170 2HE MET 23 2HE MET 23 -4.944 -19.058 -19.058 171 3HE MET 23 1HE MET 23 -3.564 -18.698 -18.698 172 H ASN 24 H ASN 24 -0.851 -15.623 -15.623 173 HA ASN 24 HA ASN 24 -1.530 -13.126 -13.126 174 1HB ASN 24 2HB ASN 24 -0.041 -15.646 -15.646 175 2HB ASN 24 1HB ASN 24 -0.271 -14.248 -14.248 176 1HD2 ASN 24 2HD2 ASN 24 -3.153 -16.951 -16.951 177 2HD2 ASN 24 1HD2 ASN 24 -1.586 -17.264 -17.264 178 H GLN 25 H GLN 25 0.393 -13.321 -13.321 179 HA GLN 25 HA GLN 25 2.963 -12.433 -12.433 180 1HB GLN 25 2HB GLN 25 3.020 -13.914 -13.914 181 2HB GLN 25 1HB GLN 25 2.242 -12.592 -12.592 182 1HG GLN 25 2HG GLN 25 4.582 -12.372 -12.372 183 2HG GLN 25 1HG GLN 25 4.230 -11.101 -11.101 184 1HE2 GLN 25 2HE2 GLN 25 6.577 -12.439 -12.439 185 2HE2 GLN 25 1HE2 GLN 25 5.672 -11.075 -11.075 186 H ILE 26 H ILE 26 0.652 -11.411 -11.411 187 HA ILE 26 HA ILE 26 1.333 -8.667 -8.667 188 HB ILE 26 HB ILE 26 -0.994 -8.225 -8.225 189 1HG1 ILE 26 2HG1 ILE 26 -1.391 -11.242 -11.242 190 2HG1 ILE 26 1HG1 ILE 26 -2.208 -10.315 -10.315 191 1HG2 ILE 26 3HG2 ILE 26 0.975 -8.771 -8.771 192 2HG2 ILE 26 2HG2 ILE 26 0.624 -10.499 -10.499 193 3HG2 ILE 26 1HG2 ILE 26 -0.417 -9.465 -9.465 194 1HD1 ILE 26 2HD1 ILE 26 -2.281 -9.497 -9.497 195 2HD1 ILE 26 1HD1 ILE 26 -3.496 -10.415 -10.415 196 3HD1 ILE 26 3HD1 ILE 26 -3.214 -8.794 -8.794 197 H LYS 27 H LYS 27 -0.369 -10.574 -10.574 198 HA LYS 27 HA LYS 27 -1.825 -8.476 -8.476 199 1HB LYS 27 2HB LYS 27 -2.391 -10.919 -10.919 200 2HB LYS 27 1HB LYS 27 -0.894 -11.231 -11.231 201 1HG LYS 27 2HG LYS 27 -1.717 -9.785 -9.785 202 2HG LYS 27 1HG LYS 27 -3.229 -9.548 -9.548 203 1HD LYS 27 2HD LYS 27 -3.002 -12.210 -12.210 204 2HD LYS 27 1HD LYS 27 -2.054 -12.085 -12.085 205 1HE LYS 27 2HE LYS 27 -3.950 -11.546 -11.546 206 2HE LYS 27 1HE LYS 27 -4.791 -10.788 -10.788 207 1HZ LYS 27 1HZ LYS 27 -4.189 -13.458 -13.458 208 2HZ LYS 27 3HZ LYS 27 -4.979 -13.481 -13.481 209 3HZ LYS 27 2HZ LYS 27 -5.673 -12.715 -12.715 210 H ASN 28 H ASN 28 0.929 -10.520 -10.520 211 HA ASN 28 HA ASN 28 1.969 -9.171 -9.171 212 1HB ASN 28 2HB ASN 28 3.230 -10.835 -10.835 213 2HB ASN 28 1HB ASN 28 4.273 -10.016 -10.016 214 1HD2 ASN 28 2HD2 ASN 28 3.746 -12.652 -12.652 215 2HD2 ASN 28 1HD2 ASN 28 4.883 -11.637 -11.637 216 H GLN 29 H GLN 29 2.451 -8.439 -8.439 217 HA GLN 29 HA GLN 29 4.321 -6.275 -6.275 218 1HB GLN 29 2HB GLN 29 4.241 -7.784 -7.784 219 2HB GLN 29 1HB GLN 29 2.945 -6.733 -6.733 220 1HG GLN 29 2HG GLN 29 4.393 -4.818 -4.818 221 2HG GLN 29 1HG GLN 29 5.636 -5.588 -5.588 222 1HE2 GLN 29 2HE2 GLN 29 5.884 -6.109 -6.109 223 2HE2 GLN 29 1HE2 GLN 29 5.015 -4.836 -4.836 224 H LEU 30 H LEU 30 0.906 -6.479 -6.479 225 HA LEU 30 HA LEU 30 0.431 -3.748 -3.748 226 1HB LEU 30 2HB LEU 30 -1.292 -6.091 -6.091 227 2HB LEU 30 1HB LEU 30 -1.843 -4.830 -4.830 228 HG LEU 30 HG LEU 30 -2.914 -4.729 -4.729 229 1HD1 LEU 30 3HD1 LEU 30 -1.229 -2.299 -2.299 230 2HD1 LEU 30 2HD1 LEU 30 -2.577 -2.244 -2.244 231 3HD1 LEU 30 1HD1 LEU 30 -2.828 -2.703 -2.703 232 1HD2 LEU 30 3HD2 LEU 30 -0.122 -4.045 -4.045 233 2HD2 LEU 30 2HD2 LEU 30 -1.081 -5.442 -5.442 234 3HD2 LEU 30 1HD2 LEU 30 -1.592 -3.842 -3.842 235 H ALA 31 H ALA 31 0.546 -5.651 -5.651 236 HA ALA 31 HA ALA 31 -0.268 -3.829 -3.829 237 1HB ALA 31 1HB ALA 31 0.580 -6.095 -6.095 238 2HB ALA 31 3HB ALA 31 2.214 -5.550 -5.550 239 3HB ALA 31 2HB ALA 31 1.375 -4.864 -4.864 240 H GLN 32 H GLN 32 2.888 -4.078 -4.078 241 HA GLN 32 HA GLN 32 4.292 -1.991 -1.991 242 1HB GLN 32 2HB GLN 32 4.646 -3.538 -3.538 243 2HB GLN 32 1HB GLN 32 4.812 -1.860 -1.860 244 1HG GLN 32 2HG GLN 32 6.427 -3.354 -3.354 245 2HG GLN 32 1HG GLN 32 6.986 -2.791 -2.791 246 1HE2 GLN 32 2HE2 GLN 32 7.293 -0.317 -0.317 247 2HE2 GLN 32 1HE2 GLN 32 7.089 -1.999 -1.999 248 H LEU 33 H LEU 33 2.035 -1.911 -1.911 249 HA LEU 33 HA LEU 33 2.131 0.964 0.964 250 1HB LEU 33 2HB LEU 33 -0.206 -0.810 -0.810 251 2HB LEU 33 1HB LEU 33 0.391 0.549 0.549 252 HG LEU 33 HG LEU 33 1.754 -2.160 -2.160 253 1HD1 LEU 33 2HD1 LEU 33 -0.009 -2.016 -2.016 254 2HD1 LEU 33 1HD1 LEU 33 0.796 -0.638 -0.638 255 3HD1 LEU 33 3HD1 LEU 33 1.590 -2.189 -2.189 256 1HD2 LEU 33 3HD2 LEU 33 3.518 -0.385 -0.385 257 2HD2 LEU 33 2HD2 LEU 33 3.487 -1.372 -1.372 258 3HD2 LEU 33 1HD2 LEU 33 2.899 0.295 0.295 259 H ASN 34 H ASN 34 -0.112 -1.221 -1.221 260 HA ASN 34 HA ASN 34 -2.055 0.653 0.653 261 1HB ASN 34 2HB ASN 34 -1.823 -1.946 -1.946 262 2HB ASN 34 1HB ASN 34 -0.954 -1.486 -1.486 263 1HD2 ASN 34 2HD2 ASN 34 -3.910 -0.524 -0.524 264 2HD2 ASN 34 1HD2 ASN 34 -2.237 -0.807 -0.807 265 H GLY 35 H GLY 35 0.772 -0.396 -0.396 266 1HA GLY 35 2HA GLY 35 0.967 1.398 1.398 267 2HA GLY 35 1HA GLY 35 2.387 0.756 0.756 268 H SER 36 H SER 36 1.979 1.970 1.970 269 HA SER 36 HA SER 36 2.872 4.681 4.681 270 1HB SER 36 2HB SER 36 3.581 4.858 4.858 271 2HB SER 36 1HB SER 36 4.062 3.323 3.323 272 HG SER 36 HG SER 36 1.567 3.062 3.062 273 H ALA 37 H ALA 37 0.078 3.280 3.280 274 HA ALA 37 HA ALA 37 -1.114 5.379 5.379 275 1HB ALA 37 2HB ALA 37 -2.112 2.992 2.992 276 2HB ALA 37 1HB ALA 37 -2.520 3.415 3.415 277 3HB ALA 37 3HB ALA 37 -3.234 4.299 4.299 278 H ASN 38 H ASN 38 -0.928 4.561 4.561 279 HA ASN 38 HA ASN 38 -2.335 7.088 7.088 280 1HB ASN 38 2HB ASN 38 -2.594 4.738 4.738 281 2HB ASN 38 1HB ASN 38 -1.154 5.228 5.228 282 1HD2 ASN 38 2HD2 ASN 38 -3.253 8.273 8.273 283 2HD2 ASN 38 1HD2 ASN 38 -1.953 8.211 8.211 284 H ALA 39 H ALA 39 0.917 5.757 5.757 285 HA ALA 39 HA ALA 39 1.910 8.195 8.195 286 1HB ALA 39 2HB ALA 39 2.863 5.908 5.908 287 2HB ALA 39 1HB ALA 39 3.372 5.709 5.709 288 3HB ALA 39 3HB ALA 39 4.140 6.922 6.922 289 H LEU 40 H LEU 40 2.771 6.659 6.659 290 HA LEU 40 HA LEU 40 4.454 8.693 8.693 291 1HB LEU 40 2HB LEU 40 4.261 6.681 6.681 292 2HB LEU 40 1HB LEU 40 2.518 6.728 6.728 293 HG LEU 40 HG LEU 40 4.032 7.332 7.332 294 1HD1 LEU 40 3HD1 LEU 40 1.519 8.907 8.907 295 2HD1 LEU 40 2HD1 LEU 40 2.175 8.682 8.682 296 3HD1 LEU 40 1HD1 LEU 40 1.587 7.306 7.306 297 1HD2 LEU 40 2HD2 LEU 40 3.644 10.022 10.022 298 2HD2 LEU 40 1HD2 LEU 40 5.205 9.297 9.297 299 3HD2 LEU 40 3HD2 LEU 40 4.129 9.746 9.746 300 H PHE 41 H PHE 41 0.994 8.214 8.214 301 HA PHE 41 HA PHE 41 0.077 10.496 10.496 302 1HB PHE 41 2HB PHE 41 -1.451 8.891 8.891 303 2HB PHE 41 1HB PHE 41 -0.983 9.277 9.277 304 HD1 PHE 41 HD2 PHE 41 -1.632 11.790 11.790 305 HD2 PHE 41 HD1 PHE 41 -3.152 9.917 9.917 306 HE1 PHE 41 HE2 PHE 41 -3.439 13.391 13.391 307 HE2 PHE 41 HE1 PHE 41 -4.987 11.558 11.558 308 HZ PHE 41 HZ PHE 41 -5.092 13.307 13.307 309 H ILE 42 H ILE 42 1.050 10.580 10.580 310 HA ILE 42 HA ILE 42 0.468 13.428 13.428 311 HB ILE 42 HB ILE 42 1.678 11.150 11.150 312 1HG1 ILE 42 2HG1 ILE 42 -0.169 11.526 11.526 313 2HG1 ILE 42 1HG1 ILE 42 -0.517 13.091 13.091 314 1HG2 ILE 42 2HG2 ILE 42 1.760 14.001 14.001 315 2HG2 ILE 42 1HG2 ILE 42 2.092 12.547 12.547 316 3HG2 ILE 42 3HG2 ILE 42 3.160 12.998 12.998 317 1HD1 ILE 42 2HD1 ILE 42 -0.689 10.395 10.395 318 2HD1 ILE 42 1HD1 ILE 42 -1.958 11.423 11.423 319 3HD1 ILE 42 3HD1 ILE 42 -1.060 11.942 11.942 320 H SER 43 H SER 43 3.064 11.497 11.497 321 HA SER 43 HA SER 43 5.165 13.390 13.390 322 1HB SER 43 2HB SER 43 5.484 10.900 10.900 323 2HB SER 43 1HB SER 43 5.065 10.627 10.627 324 HG SER 43 HG SER 43 7.109 12.356 12.356 325 H TYR 44 H TYR 44 3.176 12.340 12.340 326 HA TYR 44 HA TYR 44 4.557 13.531 13.531 327 1HB TYR 44 2HB TYR 44 3.488 11.635 11.635 328 2HB TYR 44 1HB TYR 44 2.210 11.705 11.705 329 HD1 TYR 44 HD2 TYR 44 3.480 13.242 13.242 330 HD2 TYR 44 HD1 TYR 44 0.104 12.684 12.684 331 HE1 TYR 44 HE2 TYR 44 2.223 14.278 14.278 332 HE2 TYR 44 HE1 TYR 44 -1.162 13.707 13.707 333 HH TYR 44 HH TYR 44 -0.031 15.707 15.707 334 H TYR 45 H TYR 45 1.343 13.923 13.923 335 HA TYR 45 HA TYR 45 0.789 16.375 16.375 336 1HB TYR 45 2HB TYR 45 -1.336 16.381 16.381 337 2HB TYR 45 1HB TYR 45 -0.956 14.699 14.699 338 HD1 TYR 45 HD2 TYR 45 -0.421 17.614 17.614 339 HD2 TYR 45 HD1 TYR 45 -1.713 13.538 13.538 340 HE1 TYR 45 HE2 TYR 45 -0.925 17.646 17.646 341 HE2 TYR 45 HE1 TYR 45 -2.229 13.628 13.628 342 HH TYR 45 HH TYR 45 -2.250 16.473 16.473 343 H THR 46 H THR 46 1.980 15.833 15.833 344 HA THR 46 HA THR 46 1.837 18.574 18.574 345 HB THR 46 HB THR 46 3.945 18.088 18.088 346 HG1 THR 46 HG1 THR 46 3.827 15.759 15.759 347 1HG2 THR 46 2HG2 THR 46 1.813 15.870 15.870 348 2HG2 THR 46 1HG2 THR 46 2.923 16.266 16.266 349 3HG2 THR 46 3HG2 THR 46 1.677 17.411 17.411 350 H ALA 47 H ALA 47 4.139 17.050 17.050 351 HA ALA 47 HA ALA 47 5.877 19.336 19.336 352 1HB ALA 47 3HB ALA 47 5.337 17.142 17.142 353 2HB ALA 47 2HB ALA 47 6.672 18.282 18.282 354 3HB ALA 47 1HB ALA 47 6.577 17.112 17.112 355 H GLN 48 H GLN 48 2.754 18.727 18.727 356 HA GLN 48 HA GLN 48 3.015 20.514 20.514 357 1HB GLN 48 2HB GLN 48 0.658 19.448 19.448 358 2HB GLN 48 1HB GLN 48 0.407 20.788 20.788 359 1HG GLN 48 2HG GLN 48 -0.065 18.758 18.758 360 2HG GLN 48 1HG GLN 48 1.410 19.409 19.409 361 1HE2 GLN 48 2HE2 GLN 48 3.286 16.718 16.718 362 2HE2 GLN 48 1HE2 GLN 48 3.453 18.414 18.414 363 H GLY 49 H GLY 49 2.247 20.888 20.888 364 1HA GLY 49 2HA GLY 49 2.917 22.906 22.906 365 2HA GLY 49 1HA GLY 49 2.315 23.855 23.855 366 H GLU 50 H GLU 50 0.352 24.471 24.471 367 HA GLU 50 HA GLU 50 -1.627 23.425 23.425 368 1HB GLU 50 2HB GLU 50 -2.370 25.967 25.967 369 2HB GLU 50 1HB GLU 50 -0.904 25.540 25.540 370 1HG GLU 50 2HG GLU 50 0.465 26.261 26.261 371 2HG GLU 50 1HG GLU 50 -1.006 26.623 26.623 372 HA PRO 51 HA PRO 51 -3.631 24.247 24.247 373 1HB PRO 51 2HB PRO 51 -6.268 24.518 24.518 374 2HB PRO 51 1HB PRO 51 -5.207 25.831 25.831 375 1HG PRO 51 2HG PRO 51 -6.765 23.875 23.875 376 2HG PRO 51 1HG PRO 51 -6.323 25.545 25.545 377 1HD PRO 51 2HD PRO 51 -4.876 23.142 23.142 378 2HD PRO 51 1HD PRO 51 -4.422 24.828 24.828 379 H PHE 52 H PHE 52 -3.169 21.799 21.799 380 HA PHE 52 HA PHE 52 -5.115 19.794 19.794 381 1HB PHE 52 2HB PHE 52 -2.085 19.595 19.595 382 2HB PHE 52 1HB PHE 52 -3.125 18.191 18.191 383 HD1 PHE 52 HD2 PHE 52 -5.018 20.762 20.762 384 HD2 PHE 52 HD1 PHE 52 -1.900 17.934 17.934 385 HE1 PHE 52 HE2 PHE 52 -5.484 20.837 20.837 386 HE2 PHE 52 HE1 PHE 52 -2.389 18.009 18.009 387 HZ PHE 52 HZ PHE 52 -4.157 19.505 19.505 388 HA PRO 53 HA PRO 53 -2.677 18.429 18.429 389 1HB PRO 53 2HB PRO 53 -1.696 20.775 20.775 390 2HB PRO 53 1HB PRO 53 -0.693 19.590 19.590 391 1HG PRO 53 2HG PRO 53 -1.903 22.163 22.163 392 2HG PRO 53 1HG PRO 53 -0.257 21.556 21.556 393 1HD PRO 53 2HD PRO 53 -1.903 21.139 21.139 394 2HD PRO 53 1HD PRO 53 -0.971 19.741 19.741 395 H ASN 54 H ASN 54 -4.573 20.936 20.936 396 HA ASN 54 HA ASN 54 -6.257 20.708 20.708 397 1HB ASN 54 2HB ASN 54 -4.908 22.840 22.840 398 2HB ASN 54 1HB ASN 54 -5.804 23.170 23.170 399 1HD2 ASN 54 2HD2 ASN 54 -7.383 24.274 24.274 400 2HD2 ASN 54 1HD2 ASN 54 -5.800 23.656 23.656 401 H ASN 55 H ASN 55 -6.313 20.752 20.752 402 HA ASN 55 HA ASN 55 -9.264 20.229 20.229 403 1HB ASN 55 2HB ASN 55 -7.728 21.833 21.833 404 2HB ASN 55 1HB ASN 55 -9.459 21.475 21.475 405 1HD2 ASN 55 2HD2 ASN 55 -8.117 24.085 24.085 406 2HD2 ASN 55 1HD2 ASN 55 -7.073 22.861 22.861 407 H LEU 56 H LEU 56 -6.806 18.541 18.541 408 HA LEU 56 HA LEU 56 -6.723 17.339 17.339 409 1HB LEU 56 2HB LEU 56 -5.410 15.554 15.554 410 2HB LEU 56 1HB LEU 56 -4.883 17.098 17.098 411 HG LEU 56 HG LEU 56 -6.613 16.624 16.624 412 1HD1 LEU 56 1HD1 LEU 56 -7.534 14.462 14.462 413 2HD1 LEU 56 3HD1 LEU 56 -5.919 13.809 13.809 414 3HD1 LEU 56 2HD1 LEU 56 -6.754 14.201 14.201 415 1HD2 LEU 56 1HD2 LEU 56 -4.038 16.644 16.644 416 2HD2 LEU 56 3HD2 LEU 56 -4.717 15.415 15.415 417 3HD2 LEU 56 2HD2 LEU 56 -4.098 14.966 14.966 418 H ASP 57 H ASP 57 -8.914 17.246 17.246 419 HA ASP 57 HA ASP 57 -9.976 14.652 14.652 420 1HB ASP 57 2HB ASP 57 -12.020 15.645 15.645 421 2HB ASP 57 1HB ASP 57 -10.593 16.384 16.384 422 H LYS 58 H LYS 58 -10.534 17.612 17.612 423 HA LYS 58 HA LYS 58 -12.532 16.337 16.337 424 1HB LYS 58 2HB LYS 58 -12.874 18.446 18.446 425 2HB LYS 58 1HB LYS 58 -11.690 19.239 19.239 426 1HG LYS 58 2HG LYS 58 -13.123 18.703 18.703 427 2HG LYS 58 1HG LYS 58 -14.330 18.018 18.018 428 1HD LYS 58 2HD LYS 58 -13.360 20.915 20.915 429 2HD LYS 58 1HD LYS 58 -14.945 20.334 20.334 430 1HE LYS 58 2HE LYS 58 -15.361 19.566 19.566 431 2HE LYS 58 1HE LYS 58 -13.809 20.226 20.226 432 1HZ LYS 58 3HZ LYS 58 -15.274 22.239 22.239 433 2HZ LYS 58 2HZ LYS 58 -16.219 21.574 21.574 434 3HZ LYS 58 1HZ LYS 58 -14.689 22.204 22.204 435 H LEU 59 H LEU 59 -9.550 18.144 18.144 436 HA LEU 59 HA LEU 59 -9.140 17.880 17.880 437 1HB LEU 59 2HB LEU 59 -7.383 18.815 18.815 438 2HB LEU 59 1HB LEU 59 -6.827 18.752 18.752 439 HG LEU 59 HG LEU 59 -7.802 20.726 20.726 440 1HD1 LEU 59 2HD1 LEU 59 -10.074 19.784 19.784 441 2HD1 LEU 59 1HD1 LEU 59 -10.332 20.018 20.018 442 3HD1 LEU 59 3HD1 LEU 59 -10.097 21.401 21.401 443 1HD2 LEU 59 2HD2 LEU 59 -7.018 21.327 21.327 444 2HD2 LEU 59 1HD2 LEU 59 -8.469 22.223 22.223 445 3HD2 LEU 59 3HD2 LEU 59 -8.563 20.806 20.806 446 H CYS 60 H CYS 60 -8.497 15.813 15.813 447 HA CYS 60 HA CYS 60 -6.821 14.102 14.102 448 1HB CYS 60 2HB CYS 60 -6.236 14.484 14.484 449 2HB CYS 60 1HB CYS 60 -5.339 13.661 13.661 450 H GLY 61 H GLY 61 -9.646 13.345 13.345 451 1HA GLY 61 2HA GLY 61 -9.419 11.161 11.161 452 2HA GLY 61 1HA GLY 61 -10.738 12.281 12.281 453 HA PRO 62 HA PRO 62 -12.950 9.827 9.827 454 1HB PRO 62 2HB PRO 62 -14.405 11.630 11.630 455 2HB PRO 62 1HB PRO 62 -14.649 11.416 11.416 456 1HG PRO 62 2HG PRO 62 -13.030 13.575 13.575 457 2HG PRO 62 1HG PRO 62 -14.152 13.777 13.777 458 1HD PRO 62 2HD PRO 62 -11.411 13.602 13.602 459 2HD PRO 62 1HD PRO 62 -12.510 13.154 13.154 460 H ASN 63 H ASN 63 -13.497 9.876 9.876 461 HA ASN 63 HA ASN 63 -10.809 10.019 10.019 462 1HB ASN 63 2HB ASN 63 -11.599 8.394 8.394 463 2HB ASN 63 1HB ASN 63 -12.273 7.837 7.837 464 1HD2 ASN 63 2HD2 ASN 63 -15.628 8.426 8.426 465 2HD2 ASN 63 1HD2 ASN 63 -14.671 8.071 8.071 466 H VAL 64 H VAL 64 -10.379 11.371 11.371 467 HA VAL 64 HA VAL 64 -12.537 13.071 13.071 468 HB VAL 64 HB VAL 64 -10.876 14.205 14.205 469 1HG1 VAL 64 3HG1 VAL 64 -8.870 12.810 12.810 470 2HG1 VAL 64 2HG1 VAL 64 -8.886 13.510 13.510 471 3HG1 VAL 64 1HG1 VAL 64 -8.520 14.511 14.511 472 1HG2 VAL 64 3HG2 VAL 64 -12.019 15.497 15.497 473 2HG2 VAL 64 2HG2 VAL 64 -10.415 16.102 16.102 474 3HG2 VAL 64 1HG2 VAL 64 -10.731 15.151 15.151 475 H THR 65 H THR 65 -10.790 10.523 10.523 476 HA THR 65 HA THR 65 -10.283 11.008 11.008 477 HB THR 65 HB THR 65 -8.127 11.055 11.055 478 HG1 THR 65 HG1 THR 65 -7.712 9.964 9.964 479 1HG2 THR 65 1HG2 THR 65 -8.871 9.620 9.620 480 2HG2 THR 65 3HG2 THR 65 -8.838 8.216 8.216 481 3HG2 THR 65 2HG2 THR 65 -7.372 9.121 9.121 482 H ASP 66 H ASP 66 -9.488 8.201 8.201 483 HA ASP 66 HA ASP 66 -12.209 7.041 7.041 484 1HB ASP 66 2HB ASP 66 -11.273 5.567 5.567 485 2HB ASP 66 1HB ASP 66 -11.032 7.251 7.251 486 H PHE 67 H PHE 67 -10.835 7.064 7.064 487 HA PHE 67 HA PHE 67 -9.457 4.589 4.589 488 1HB PHE 67 2HB PHE 67 -9.892 6.905 6.905 489 2HB PHE 67 1HB PHE 67 -10.938 5.799 5.799 490 HD1 PHE 67 HD2 PHE 67 -9.225 3.238 3.238 491 HD2 PHE 67 HD1 PHE 67 -8.245 7.212 7.212 492 HE1 PHE 67 HE2 PHE 67 -7.194 2.456 2.456 493 HE2 PHE 67 HE1 PHE 67 -6.238 6.458 6.458 494 HZ PHE 67 HZ PHE 67 -5.721 4.090 4.090 495 HA PRO 68 HA PRO 68 -13.479 2.783 2.783 496 1HB PRO 68 2HB PRO 68 -12.865 0.088 0.088 497 2HB PRO 68 1HB PRO 68 -12.410 1.195 1.195 498 1HG PRO 68 2HG PRO 68 -10.748 0.411 0.411 499 2HG PRO 68 1HG PRO 68 -10.292 0.225 0.225 500 1HD PRO 68 2HD PRO 68 -9.455 2.488 2.488 501 2HD PRO 68 1HD PRO 68 -10.247 2.602 2.602 502 HA PRO 69 HA PRO 69 -14.984 1.524 1.524 503 1HB PRO 69 2HB PRO 69 -17.357 0.393 0.393 504 2HB PRO 69 1HB PRO 69 -17.073 2.093 2.093 505 1HG PRO 69 2HG PRO 69 -16.746 -0.360 -0.360 506 2HG PRO 69 1HG PRO 69 -17.684 1.101 1.101 507 1HD PRO 69 2HD PRO 69 -15.109 0.840 0.840 508 2HD PRO 69 1HD PRO 69 -15.729 2.428 2.428 509 H PHE 70 H PHE 70 -12.965 0.049 0.049 510 HA PHE 70 HA PHE 70 -12.905 -2.663 -2.663 511 1HB PHE 70 2HB PHE 70 -11.003 -1.255 -1.255 512 2HB PHE 70 1HB PHE 70 -11.699 -1.420 -1.420 513 HD1 PHE 70 HD2 PHE 70 -12.120 -4.085 -4.085 514 HD2 PHE 70 HD1 PHE 70 -9.252 -2.615 -2.615 515 HE1 PHE 70 HE2 PHE 70 -10.835 -6.174 -6.174 516 HE2 PHE 70 HE1 PHE 70 -7.994 -4.672 -4.672 517 HZ PHE 70 HZ PHE 70 -8.749 -6.451 -6.451 518 H HIS 71 H HIS 71 -14.502 -4.211 -4.211 519 HA HIS 71 HA HIS 71 -15.336 -3.978 -3.978 520 1HB HIS 71 2HB HIS 71 -17.062 -3.537 -3.537 521 2HB HIS 71 1HB HIS 71 -17.764 -4.598 -4.598 522 HD1 HIS 71 HD1 HIS 71 -19.263 -2.246 -2.246 523 HD2 HIS 71 HD2 HIS 71 -15.766 -2.100 -2.100 524 HE1 HIS 71 HE1 HIS 71 -19.458 -0.344 -0.344 525 H ALA 72 H ALA 72 -13.858 -5.643 -5.643 526 HA ALA 72 HA ALA 72 -13.664 -8.127 -8.127 527 1HB ALA 72 2HB ALA 72 -14.090 -7.597 -7.597 528 2HB ALA 72 1HB ALA 72 -13.357 -9.037 -9.037 529 3HB ALA 72 3HB ALA 72 -12.533 -7.485 -7.485 530 H ASN 73 H ASN 73 -15.671 -8.551 -8.551 531 HA ASN 73 HA ASN 73 -17.884 -9.375 -9.375 532 1HB ASN 73 2HB ASN 73 -17.991 -7.896 -7.896 533 2HB ASN 73 1HB ASN 73 -18.134 -9.494 -9.494 534 1HD2 ASN 73 2HD2 ASN 73 -21.228 -7.907 -7.907 535 2HD2 ASN 73 1HD2 ASN 73 -19.723 -7.107 -7.107 536 H GLY 74 H GLY 74 -15.399 -10.772 -10.772 537 1HA GLY 74 2HA GLY 74 -14.848 -13.081 -13.081 538 2HA GLY 74 1HA GLY 74 -16.540 -13.490 -13.490 539 H THR 75 H THR 75 -14.266 -11.496 -11.496 540 HA THR 75 HA THR 75 -14.086 -13.584 -13.584 541 HB THR 75 HB THR 75 -14.085 -10.854 -10.854 542 HG1 THR 75 HG1 THR 75 -15.833 -10.239 -10.239 543 1HG2 THR 75 1HG2 THR 75 -15.844 -13.301 -13.301 544 2HG2 THR 75 3HG2 THR 75 -15.761 -11.994 -11.994 545 3HG2 THR 75 2HG2 THR 75 -14.362 -13.065 -13.065 546 H GLU 76 H GLU 76 -12.221 -14.203 -14.203 547 HA GLU 76 HA GLU 76 -9.837 -13.161 -13.161 548 1HB GLU 76 2HB GLU 76 -10.060 -14.797 -14.797 549 2HB GLU 76 1HB GLU 76 -8.685 -14.727 -14.727 550 1HG GLU 76 2HG GLU 76 -9.649 -16.131 -16.131 551 2HG GLU 76 1HG GLU 76 -11.294 -15.755 -15.755 552 H LYS 77 H LYS 77 -10.685 -13.156 -13.156 553 HA LYS 77 HA LYS 77 -8.841 -11.304 -11.304 554 1HB LYS 77 2HB LYS 77 -10.394 -11.056 -11.056 555 2HB LYS 77 1HB LYS 77 -10.146 -12.732 -12.732 556 1HG LYS 77 2HG LYS 77 -12.275 -12.974 -12.974 557 2HG LYS 77 1HG LYS 77 -12.533 -11.242 -11.242 558 1HD LYS 77 2HD LYS 77 -12.469 -11.051 -11.051 559 2HD LYS 77 1HD LYS 77 -12.412 -12.807 -12.807 560 1HE LYS 77 2HE LYS 77 -14.576 -13.090 -13.090 561 2HE LYS 77 1HE LYS 77 -14.628 -11.506 -11.506 562 1HZ LYS 77 2HZ LYS 77 -14.205 -11.160 -11.160 563 2HZ LYS 77 1HZ LYS 77 -15.532 -12.187 -12.187 564 3HZ LYS 77 3HZ LYS 77 -15.498 -10.667 -10.667 565 H ALA 78 H ALA 78 -11.952 -10.585 -10.585 566 HA ALA 78 HA ALA 78 -11.847 -7.800 -7.800 567 1HB ALA 78 2HB ALA 78 -13.258 -9.027 -9.027 568 2HB ALA 78 1HB ALA 78 -13.540 -7.424 -7.424 569 3HB ALA 78 3HB ALA 78 -13.979 -8.813 -8.813 570 H LYS 79 H LYS 79 -11.098 -9.498 -9.498 571 HA LYS 79 HA LYS 79 -10.106 -7.345 -7.345 572 1HB LYS 79 2HB LYS 79 -9.044 -10.209 -10.209 573 2HB LYS 79 1HB LYS 79 -8.901 -9.068 -9.068 574 1HG LYS 79 2HG LYS 79 -11.698 -9.161 -9.161 575 2HG LYS 79 1HG LYS 79 -11.186 -10.821 -10.821 576 1HD LYS 79 2HD LYS 79 -9.892 -10.497 -10.497 577 2HD LYS 79 1HD LYS 79 -11.033 -9.157 -9.157 578 1HE LYS 79 2HE LYS 79 -12.917 -10.713 -10.713 579 2HE LYS 79 1HE LYS 79 -11.795 -12.037 -12.037 580 1HZ LYS 79 3HZ LYS 79 -10.786 -10.685 -10.685 581 2HZ LYS 79 2HZ LYS 79 -12.465 -10.812 -10.812 582 3HZ LYS 79 1HZ LYS 79 -11.472 -12.173 -12.173 583 H LEU 80 H LEU 80 -8.438 -9.552 -9.552 584 HA LEU 80 HA LEU 80 -5.817 -8.416 -8.416 585 1HB LEU 80 2HB LEU 80 -7.306 -10.275 -10.275 586 2HB LEU 80 1HB LEU 80 -5.661 -9.850 -9.850 587 HG LEU 80 HG LEU 80 -6.256 -12.127 -12.127 588 1HD1 LEU 80 1HD1 LEU 80 -3.963 -11.321 -11.321 589 2HD1 LEU 80 3HD1 LEU 80 -4.044 -10.294 -10.294 590 3HD1 LEU 80 2HD1 LEU 80 -4.017 -12.037 -12.037 591 1HD2 LEU 80 3HD2 LEU 80 -5.988 -10.151 -10.151 592 2HD2 LEU 80 2HD2 LEU 80 -7.433 -11.060 -11.060 593 3HD2 LEU 80 1HD2 LEU 80 -6.001 -11.887 -11.887 594 H VAL 81 H VAL 81 -8.268 -8.056 -8.056 595 HA VAL 81 HA VAL 81 -6.754 -6.218 -6.218 596 HB VAL 81 HB VAL 81 -9.763 -6.761 -6.761 597 1HG1 VAL 81 3HG1 VAL 81 -8.082 -5.163 -5.163 598 2HG1 VAL 81 2HG1 VAL 81 -9.763 -5.609 -5.609 599 3HG1 VAL 81 1HG1 VAL 81 -9.329 -4.492 -4.492 600 1HG2 VAL 81 2HG2 VAL 81 -7.577 -7.673 -7.673 601 2HG2 VAL 81 1HG2 VAL 81 -8.389 -8.671 -8.671 602 3HG2 VAL 81 3HG2 VAL 81 -9.298 -8.011 -8.011 603 H GLU 82 H GLU 82 -9.573 -5.624 -5.624 604 HA GLU 82 HA GLU 82 -9.626 -2.860 -2.860 605 1HB GLU 82 2HB GLU 82 -10.264 -4.545 -4.545 606 2HB GLU 82 1HB GLU 82 -10.760 -2.869 -2.869 607 1HG GLU 82 2HG GLU 82 -12.295 -3.421 -3.421 608 2HG GLU 82 1HG GLU 82 -11.632 -5.025 -5.025 609 H LEU 83 H LEU 83 -7.669 -4.836 -4.836 610 HA LEU 83 HA LEU 83 -6.240 -2.679 -2.679 611 1HB LEU 83 2HB LEU 83 -5.950 -5.029 -5.029 612 2HB LEU 83 1HB LEU 83 -5.334 -5.528 -5.528 613 HG LEU 83 HG LEU 83 -3.402 -3.831 -3.831 614 1HD1 LEU 83 3HD1 LEU 83 -4.616 -2.520 -2.520 615 2HD1 LEU 83 2HD1 LEU 83 -4.458 -3.932 -3.932 616 3HD1 LEU 83 1HD1 LEU 83 -3.040 -3.065 -3.065 617 1HD2 LEU 83 3HD2 LEU 83 -3.741 -6.210 -6.210 618 2HD2 LEU 83 2HD2 LEU 83 -3.118 -6.227 -6.227 619 3HD2 LEU 83 1HD2 LEU 83 -2.219 -5.412 -5.412 620 H TYR 84 H TYR 84 -5.137 -4.843 -4.843 621 HA TYR 84 HA TYR 84 -2.992 -3.817 -3.817 622 1HB TYR 84 2HB TYR 84 -4.392 -5.765 -5.765 623 2HB TYR 84 1HB TYR 84 -5.417 -4.709 -4.709 624 HD1 TYR 84 HD1 TYR 84 -4.458 -3.318 -3.318 625 HD2 TYR 84 HD2 TYR 84 -2.308 -6.287 -6.287 626 HE1 TYR 84 HE1 TYR 84 -2.861 -3.305 -3.305 627 HE2 TYR 84 HE2 TYR 84 -0.682 -6.345 -6.345 628 HH TYR 84 HH TYR 84 -1.043 -4.706 -4.706 629 H ARG 85 H ARG 85 -5.876 -3.059 -3.059 630 HA ARG 85 HA ARG 85 -5.181 -0.863 -0.863 631 1HB ARG 85 2HB ARG 85 -7.206 -2.272 -2.272 632 2HB ARG 85 1HB ARG 85 -7.863 -1.682 -1.682 633 1HG ARG 85 2HG ARG 85 -8.762 -0.590 -0.590 634 2HG ARG 85 1HG ARG 85 -8.235 0.442 0.442 635 1HD ARG 85 2HD ARG 85 -6.030 0.885 0.885 636 2HD ARG 85 1HD ARG 85 -6.566 -0.268 -0.268 637 HE ARG 85 HE ARG 85 -7.943 1.368 1.368 638 1HH1 ARG 85 2HH1 ARG 85 -7.154 2.013 2.013 639 2HH1 ARG 85 1HH1 ARG 85 -8.048 3.502 3.502 640 1HH2 ARG 85 1HH2 ARG 85 -9.066 3.259 3.259 641 2HH2 ARG 85 2HH2 ARG 85 -9.157 4.198 4.198 642 H MET 86 H MET 86 -6.173 -1.032 -1.032 643 HA MET 86 HA MET 86 -6.543 1.799 1.799 644 1HB MET 86 2HB MET 86 -6.275 -0.591 -0.591 645 2HB MET 86 1HB MET 86 -5.946 0.957 0.957 646 1HG MET 86 2HG MET 86 -8.187 1.654 1.654 647 2HG MET 86 1HG MET 86 -8.470 0.240 0.240 648 1HE MET 86 1HE MET 86 -10.355 1.501 1.501 649 2HE MET 86 3HE MET 86 -10.514 0.613 0.613 650 3HE MET 86 2HE MET 86 -9.237 1.784 1.784 651 H VAL 87 H VAL 87 -3.899 -0.432 -0.432 652 HA VAL 87 HA VAL 87 -2.094 1.495 1.495 653 HB VAL 87 HB VAL 87 -2.062 -1.313 -1.313 654 1HG1 VAL 87 2HG1 VAL 87 0.088 0.281 0.281 655 2HG1 VAL 87 1HG1 VAL 87 0.261 -1.442 -1.442 656 3HG1 VAL 87 3HG1 VAL 87 0.240 -0.255 -0.255 657 1HG2 VAL 87 2HG2 VAL 87 -3.276 -1.133 -1.133 658 2HG2 VAL 87 1HG2 VAL 87 -1.804 -2.035 -2.035 659 3HG2 VAL 87 3HG2 VAL 87 -1.918 -0.366 -0.366 660 H ALA 88 H ALA 88 -2.071 -0.492 -0.492 661 HA ALA 88 HA ALA 88 -0.195 0.742 0.742 662 1HB ALA 88 2HB ALA 88 -3.051 0.172 0.172 663 2HB ALA 88 1HB ALA 88 -1.715 0.437 0.437 664 3HB ALA 88 3HB ALA 88 -1.725 -0.939 -0.939 665 H TYR 89 H TYR 89 -3.434 2.025 2.025 666 HA TYR 89 HA TYR 89 -2.692 4.573 4.573 667 1HB TYR 89 2HB TYR 89 -4.974 4.984 4.984 668 2HB TYR 89 1HB TYR 89 -5.127 3.308 3.308 669 HD1 TYR 89 HD1 TYR 89 -4.856 2.958 2.958 670 HD2 TYR 89 HD2 TYR 89 -6.154 6.532 6.532 671 HE1 TYR 89 HE1 TYR 89 -5.951 3.616 3.616 672 HE2 TYR 89 HE2 TYR 89 -7.216 7.176 7.176 673 HH TYR 89 HH TYR 89 -7.023 5.281 5.281 674 H LEU 90 H LEU 90 -2.942 3.521 3.521 675 HA LEU 90 HA LEU 90 -2.539 6.196 6.196 676 1HB LEU 90 2HB LEU 90 -3.377 4.392 4.392 677 2HB LEU 90 1HB LEU 90 -1.882 3.502 3.502 678 HG LEU 90 HG LEU 90 -0.854 5.882 5.882 679 1HD1 LEU 90 1HD1 LEU 90 -3.615 5.801 5.801 680 2HD1 LEU 90 3HD1 LEU 90 -2.328 6.904 6.904 681 3HD1 LEU 90 2HD1 LEU 90 -3.026 6.974 6.974 682 1HD2 LEU 90 2HD2 LEU 90 -1.970 3.716 3.716 683 2HD2 LEU 90 1HD2 LEU 90 -0.385 3.744 3.744 684 3HD2 LEU 90 3HD2 LEU 90 -0.773 4.908 4.908 685 H SER 91 H SER 91 -0.369 3.327 3.327 686 HA SER 91 HA SER 91 2.070 4.284 4.284 687 1HB SER 91 2HB SER 91 1.436 2.716 2.716 688 2HB SER 91 1HB SER 91 3.027 2.785 2.785 689 HG SER 91 HG SER 91 2.287 1.382 1.382 690 H ALA 92 H ALA 92 0.490 4.932 4.932 691 HA ALA 92 HA ALA 92 2.652 6.534 6.534 692 1HB ALA 92 3HB ALA 92 -0.329 6.617 6.617 693 2HB ALA 92 2HB ALA 92 0.932 7.360 7.360 694 3HB ALA 92 1HB ALA 92 0.872 5.611 5.611 695 H SER 93 H SER 93 -0.341 7.432 7.432 696 HA SER 93 HA SER 93 0.084 10.298 10.298 697 1HB SER 93 2HB SER 93 -1.534 8.598 8.598 698 2HB SER 93 1HB SER 93 -1.874 10.262 10.262 699 HG SER 93 HG SER 93 -2.324 7.854 7.854 700 H LEU 94 H LEU 94 1.005 7.782 7.782 701 HA LEU 94 HA LEU 94 1.936 9.609 9.609 702 1HB LEU 94 2HB LEU 94 1.661 6.691 6.691 703 2HB LEU 94 1HB LEU 94 3.296 7.050 7.050 704 HG LEU 94 HG LEU 94 2.327 8.417 8.417 705 1HD1 LEU 94 3HD1 LEU 94 0.006 8.755 8.755 706 2HD1 LEU 94 2HD1 LEU 94 -0.247 7.032 7.032 707 3HD1 LEU 94 1HD1 LEU 94 -0.017 7.989 7.989 708 1HD2 LEU 94 3HD2 LEU 94 3.133 6.036 6.036 709 2HD2 LEU 94 2HD2 LEU 94 1.775 6.398 6.398 710 3HD2 LEU 94 1HD2 LEU 94 1.530 5.454 5.454 711 H THR 95 H THR 95 3.323 7.704 7.704 712 HA THR 95 HA THR 95 6.027 8.488 8.488 713 HB THR 95 HB THR 95 4.534 7.880 7.880 714 HG1 THR 95 HG1 THR 95 4.779 6.225 6.225 715 1HG2 THR 95 1HG2 THR 95 7.553 8.048 8.048 716 2HG2 THR 95 3HG2 THR 95 6.863 7.587 7.587 717 3HG2 THR 95 2HG2 THR 95 6.727 9.240 9.240 718 H ASN 96 H ASN 96 3.500 10.382 10.382 719 HA ASN 96 HA ASN 96 5.451 12.299 12.299 720 1HB ASN 96 2HB ASN 96 3.522 13.924 13.924 721 2HB ASN 96 1HB ASN 96 3.095 12.382 12.382 722 1HD2 ASN 96 2HD2 ASN 96 1.186 13.833 13.833 723 2HD2 ASN 96 1HD2 ASN 96 2.684 14.499 14.499 724 H ILE 97 H ILE 97 3.472 12.206 12.206 725 HA ILE 97 HA ILE 97 4.450 14.456 14.456 726 HB ILE 97 HB ILE 97 3.425 11.728 11.728 727 1HG1 ILE 97 2HG1 ILE 97 1.752 13.082 13.082 728 2HG1 ILE 97 1HG1 ILE 97 1.401 13.012 13.012 729 1HG2 ILE 97 1HG2 ILE 97 4.873 12.643 12.643 730 2HG2 ILE 97 3HG2 ILE 97 3.853 14.070 14.070 731 3HG2 ILE 97 2HG2 ILE 97 3.176 12.529 12.529 732 1HD1 ILE 97 1HD1 ILE 97 2.444 15.309 15.309 733 2HD1 ILE 97 3HD1 ILE 97 2.727 15.416 15.416 734 3HD1 ILE 97 2HD1 ILE 97 1.111 15.392 15.392 735 H THR 98 H THR 98 5.794 11.185 11.185 736 HA THR 98 HA THR 98 7.943 11.400 11.400 737 HB THR 98 HB THR 98 8.002 10.107 10.107 738 HG1 THR 98 HG1 THR 98 7.889 8.777 8.777 739 1HG2 THR 98 2HG2 THR 98 9.821 9.587 9.587 740 2HG2 THR 98 1HG2 THR 98 9.814 8.704 8.704 741 3HG2 THR 98 3HG2 THR 98 10.317 10.380 10.380 742 H ARG 99 H ARG 99 8.019 12.458 12.458 743 HA ARG 99 HA ARG 99 10.654 13.684 13.684 744 1HB ARG 99 2HB ARG 99 9.813 12.796 12.796 745 2HB ARG 99 1HB ARG 99 8.638 14.102 14.102 746 1HG ARG 99 2HG ARG 99 10.453 15.796 15.796 747 2HG ARG 99 1HG ARG 99 11.676 14.548 14.548 748 1HD ARG 99 2HD ARG 99 9.795 15.072 15.072 749 2HD ARG 99 1HD ARG 99 11.530 15.301 15.301 750 HE ARG 99 HE ARG 99 10.074 12.681 12.681 751 1HH1 ARG 99 2HH1 ARG 99 13.014 14.356 14.356 752 2HH1 ARG 99 1HH1 ARG 99 13.823 13.007 13.007 753 1HH2 ARG 99 1HH2 ARG 99 11.054 10.872 10.872 754 2HH2 ARG 99 2HH2 ARG 99 12.661 10.932 10.932 755 H ASP 100 H ASP 100 7.490 15.075 15.075 756 HA ASP 100 HA ASP 100 7.725 17.715 17.715 757 1HB ASP 100 2HB ASP 100 5.550 16.138 16.138 758 2HB ASP 100 1HB ASP 100 5.404 17.763 17.763 759 H GLN 101 H GLN 101 6.885 15.810 15.810 760 HA GLN 101 HA GLN 101 7.417 17.637 17.637 761 1HB GLN 101 2HB GLN 101 7.937 14.643 14.643 762 2HB GLN 101 1HB GLN 101 7.786 15.580 15.580 763 1HG GLN 101 2HG GLN 101 5.589 15.221 15.221 764 2HG GLN 101 1HG GLN 101 5.737 14.314 14.314 765 1HE2 GLN 101 2HE2 GLN 101 4.890 17.936 17.936 766 2HE2 GLN 101 1HE2 GLN 101 6.482 17.420 17.420 767 H LYS 102 H LYS 102 9.743 15.158 15.158 768 HA LYS 102 HA LYS 102 11.968 15.801 15.801 769 1HB LYS 102 2HB LYS 102 11.651 14.025 14.025 770 2HB LYS 102 1HB LYS 102 12.253 15.304 15.304 771 1HG LYS 102 2HG LYS 102 13.812 13.966 13.966 772 2HG LYS 102 1HG LYS 102 14.085 13.738 13.738 773 1HD LYS 102 2HD LYS 102 14.554 16.275 16.275 774 2HD LYS 102 1HD LYS 102 14.551 16.220 16.220 775 1HE LYS 102 2HE LYS 102 16.405 14.615 14.615 776 2HE LYS 102 1HE LYS 102 16.504 14.670 14.670 777 1HZ LYS 102 3HZ LYS 102 16.451 17.314 17.314 778 2HZ LYS 102 2HZ LYS 102 17.587 16.466 16.466 779 3HZ LYS 102 1HZ LYS 102 17.732 16.514 16.514 780 H VAL 103 H VAL 103 10.690 17.423 17.423 781 HA VAL 103 HA VAL 103 12.906 19.407 19.407 782 HB VAL 103 HB VAL 103 10.618 19.060 19.060 783 1HG1 VAL 103 3HG1 VAL 103 13.319 20.442 20.442 784 2HG1 VAL 103 2HG1 VAL 103 12.147 20.197 20.197 785 3HG1 VAL 103 1HG1 VAL 103 11.750 21.225 21.225 786 1HG2 VAL 103 1HG2 VAL 103 13.407 17.796 17.796 787 2HG2 VAL 103 3HG2 VAL 103 11.892 16.943 16.943 788 3HG2 VAL 103 2HG2 VAL 103 12.224 17.718 17.718 789 H LEU 104 H LEU 104 9.684 19.262 19.262 790 HA LEU 104 HA LEU 104 9.375 22.216 22.216 791 1HB LEU 104 2HB LEU 104 7.493 20.020 20.020 792 2HB LEU 104 1HB LEU 104 7.091 21.717 21.717 793 HG LEU 104 HG LEU 104 7.882 20.344 20.344 794 1HD1 LEU 104 3HD1 LEU 104 5.903 19.132 19.132 795 2HD1 LEU 104 2HD1 LEU 104 5.063 20.666 20.666 796 3HD1 LEU 104 1HD1 LEU 104 5.453 20.039 20.039 797 1HD2 LEU 104 2HD2 LEU 104 6.180 22.806 22.806 798 2HD2 LEU 104 1HD2 LEU 104 7.834 22.843 22.843 799 3HD2 LEU 104 3HD2 LEU 104 6.559 22.199 22.199 800 H ASN 105 H ASN 105 9.705 19.630 19.630 801 HA ASN 105 HA ASN 105 10.308 21.696 21.696 802 1HB ASN 105 2HB ASN 105 8.171 19.683 19.683 803 2HB ASN 105 1HB ASN 105 9.031 19.863 19.863 804 1HD2 ASN 105 2HD2 ASN 105 7.266 22.790 22.790 805 2HD2 ASN 105 1HD2 ASN 105 8.126 21.469 21.469 806 HA PRO 106 HA PRO 106 14.068 19.665 19.665 807 1HB PRO 106 2HB PRO 106 14.884 20.760 20.760 808 2HB PRO 106 1HB PRO 106 14.847 21.665 21.665 809 1HG PRO 106 2HG PRO 106 12.656 21.522 21.522 810 2HG PRO 106 1HG PRO 106 13.396 22.968 22.968 811 1HD PRO 106 2HD PRO 106 11.081 22.140 22.140 812 2HD PRO 106 1HD PRO 106 12.371 22.588 22.588 813 H SER 107 H SER 107 11.766 19.361 19.361 814 HA SER 107 HA SER 107 13.144 16.942 16.942 815 1HB SER 107 2HB SER 107 12.037 19.007 19.007 816 2HB SER 107 1HB SER 107 10.599 17.984 17.984 817 HG SER 107 HG SER 107 11.501 16.773 16.773 818 H ALA 108 H ALA 108 10.637 17.963 17.963 819 HA ALA 108 HA ALA 108 8.740 15.859 15.859 820 1HB ALA 108 1HB ALA 108 8.424 17.873 17.873 821 2HB ALA 108 3HB ALA 108 9.628 17.241 17.241 822 3HB ALA 108 2HB ALA 108 8.130 16.381 16.381 823 H VAL 109 H VAL 109 11.693 16.336 16.336 824 HA VAL 109 HA VAL 109 12.112 14.164 14.164 825 HB VAL 109 HB VAL 109 14.509 14.287 14.287 826 1HG1 VAL 109 3HG1 VAL 109 13.603 16.360 16.360 827 2HG1 VAL 109 2HG1 VAL 109 13.278 17.046 17.046 828 3HG1 VAL 109 1HG1 VAL 109 14.921 16.755 16.755 829 1HG2 VAL 109 1HG2 VAL 109 13.824 15.619 15.619 830 2HG2 VAL 109 3HG2 VAL 109 14.502 14.013 14.013 831 3HG2 VAL 109 2HG2 VAL 109 15.440 15.410 15.410 832 H SER 110 H SER 110 12.137 14.166 14.166 833 HA SER 110 HA SER 110 12.805 11.389 11.389 834 1HB SER 110 2HB SER 110 11.289 13.058 13.058 835 2HB SER 110 1HB SER 110 12.705 12.030 12.030 836 HG SER 110 HG SER 110 12.572 14.642 14.642 837 H LEU 111 H LEU 111 9.813 13.302 13.302 838 HA LEU 111 HA LEU 111 7.978 11.202 11.202 839 1HB LEU 111 2HB LEU 111 6.223 12.526 12.526 840 2HB LEU 111 1HB LEU 111 7.430 13.763 13.763 841 HG LEU 111 HG LEU 111 7.844 13.612 13.612 842 1HD1 LEU 111 2HD1 LEU 111 6.460 11.521 11.521 843 2HD1 LEU 111 1HD1 LEU 111 5.078 12.402 12.402 844 3HD1 LEU 111 3HD1 LEU 111 5.927 12.920 12.920 845 1HD2 LEU 111 2HD2 LEU 111 6.945 15.559 15.559 846 2HD2 LEU 111 1HD2 LEU 111 6.248 15.189 15.189 847 3HD2 LEU 111 3HD2 LEU 111 5.332 14.948 14.948 848 H HIS 112 H HIS 112 9.061 12.320 12.320 849 HA HIS 112 HA HIS 112 7.942 10.560 10.560 850 1HB HIS 112 2HB HIS 112 8.841 12.195 12.195 851 2HB HIS 112 1HB HIS 112 9.819 12.768 12.768 852 HD1 HIS 112 HD1 HIS 112 10.699 9.459 9.459 853 HD2 HIS 112 HD2 HIS 112 11.851 13.361 13.361 854 HE1 HIS 112 HE1 HIS 112 12.840 9.502 9.502 855 H SER 113 H SER 113 10.935 10.230 10.230 856 HA SER 113 HA SER 113 11.959 7.959 7.959 857 1HB SER 113 2HB SER 113 11.998 8.310 8.310 858 2HB SER 113 1HB SER 113 13.218 7.520 7.520 859 HG SER 113 HG SER 113 12.838 10.034 10.034 860 H LYS 114 H LYS 114 9.774 8.157 8.157 861 HA LYS 114 HA LYS 114 9.116 5.376 5.376 862 1HB LYS 114 2HB LYS 114 7.077 7.641 7.641 863 2HB LYS 114 1HB LYS 114 7.009 6.061 6.061 864 1HG LYS 114 2HG LYS 114 9.511 7.181 7.181 865 2HG LYS 114 1HG LYS 114 8.389 8.512 8.512 866 1HD LYS 114 2HD LYS 114 6.931 6.378 6.378 867 2HD LYS 114 1HD LYS 114 8.574 5.952 5.952 868 1HE LYS 114 2HE LYS 114 7.617 7.300 7.300 869 2HE LYS 114 1HE LYS 114 8.905 8.208 8.208 870 1HZ LYS 114 2HZ LYS 114 6.618 8.748 8.748 871 2HZ LYS 114 1HZ LYS 114 6.129 8.820 8.820 872 3HZ LYS 114 3HZ LYS 114 7.378 9.830 9.830 873 H LEU 115 H LEU 115 7.588 7.903 7.903 874 HA LEU 115 HA LEU 115 5.558 6.652 6.652 875 1HB LEU 115 2HB LEU 115 6.443 9.159 9.159 876 2HB LEU 115 1HB LEU 115 7.149 8.847 8.847 877 HG LEU 115 HG LEU 115 4.217 8.156 8.156 878 1HD1 LEU 115 1HD1 LEU 115 5.288 10.943 10.943 879 2HD1 LEU 115 3HD1 LEU 115 3.603 10.459 10.459 880 3HD1 LEU 115 2HD1 LEU 115 4.441 10.565 10.565 881 1HD2 LEU 115 2HD2 LEU 115 5.505 7.633 7.633 882 2HD2 LEU 115 1HD2 LEU 115 4.222 8.784 8.784 883 3HD2 LEU 115 3HD2 LEU 115 5.857 9.347 9.347 884 H ASN 116 H ASN 116 9.021 6.840 6.840 885 HA ASN 116 HA ASN 116 8.770 5.657 5.657 886 1HB ASN 116 2HB ASN 116 11.061 5.386 5.386 887 2HB ASN 116 1HB ASN 116 11.091 4.713 4.713 888 1HD2 ASN 116 2HD2 ASN 116 12.386 7.605 7.605 889 2HD2 ASN 116 1HD2 ASN 116 12.393 5.903 5.903 890 H ALA 117 H ALA 117 9.205 4.324 4.324 891 HA ALA 117 HA ALA 117 9.462 1.657 1.657 892 1HB ALA 117 1HB ALA 117 8.350 2.488 2.488 893 2HB ALA 117 3HB ALA 117 8.845 0.866 0.866 894 3HB ALA 117 2HB ALA 117 10.041 2.144 2.144 895 H THR 118 H THR 118 6.677 3.198 3.198 896 HA THR 118 HA THR 118 4.714 1.364 1.364 897 HB THR 118 HB THR 118 3.154 3.551 3.551 898 HG1 THR 118 HG1 THR 118 5.610 4.490 4.490 899 1HG2 THR 118 3HG2 THR 118 4.881 3.633 3.633 900 2HG2 THR 118 2HG2 THR 118 3.339 4.438 4.438 901 3HG2 THR 118 1HG2 THR 118 3.408 2.685 2.685 902 H ILE 119 H ILE 119 5.738 3.625 3.625 903 HA ILE 119 HA ILE 119 4.120 2.695 2.695 904 HB ILE 119 HB ILE 119 6.857 4.060 4.060 905 1HG1 ILE 119 2HG1 ILE 119 4.209 5.345 5.345 906 2HG1 ILE 119 1HG1 ILE 119 4.837 5.372 5.372 907 1HG2 ILE 119 1HG2 ILE 119 4.975 3.649 3.649 908 2HG2 ILE 119 3HG2 ILE 119 6.438 4.618 4.618 909 3HG2 ILE 119 2HG2 ILE 119 6.548 2.899 2.899 910 1HD1 ILE 119 2HD1 ILE 119 6.357 6.445 6.445 911 2HD1 ILE 119 1HD1 ILE 119 5.515 7.427 7.427 912 3HD1 ILE 119 3HD1 ILE 119 6.909 6.501 6.501 913 H ASP 120 H ASP 120 7.567 2.047 2.047 914 HA ASP 120 HA ASP 120 7.693 0.100 0.100 915 1HB ASP 120 2HB ASP 120 9.722 1.226 1.226 916 2HB ASP 120 1HB ASP 120 9.518 0.083 0.083 917 H VAL 121 H VAL 121 7.258 -0.437 -0.437 918 HA VAL 121 HA VAL 121 7.215 -3.279 -3.279 919 HB VAL 121 HB VAL 121 6.074 -3.126 -3.126 920 1HG1 VAL 121 1HG1 VAL 121 8.466 -2.577 -2.577 921 2HG1 VAL 121 3HG1 VAL 121 8.088 -0.883 -0.883 922 3HG1 VAL 121 2HG1 VAL 121 7.571 -1.672 -1.672 923 1HG2 VAL 121 1HG2 VAL 121 5.691 -0.226 -0.226 924 2HG2 VAL 121 3HG2 VAL 121 4.425 -1.404 -1.404 925 3HG2 VAL 121 2HG2 VAL 121 5.363 -0.970 -0.970 926 H MET 122 H MET 122 4.815 -0.725 -0.725 927 HA MET 122 HA MET 122 2.572 -2.457 -2.457 928 1HB MET 122 2HB MET 122 3.221 0.402 0.402 929 2HB MET 122 1HB MET 122 1.998 -0.329 -0.329 930 1HG MET 122 2HG MET 122 0.828 -1.078 -1.078 931 2HG MET 122 1HG MET 122 2.145 -0.391 -0.391 932 1HE MET 122 2HE MET 122 2.311 1.542 1.542 933 2HE MET 122 1HE MET 122 1.230 2.909 2.909 934 3HE MET 122 3HE MET 122 0.700 1.411 1.411 935 H ARG 123 H ARG 123 5.004 -1.071 -1.071 936 HA ARG 123 HA ARG 123 3.989 -2.059 -2.059 937 1HB ARG 123 2HB ARG 123 5.934 -0.352 -0.352 938 2HB ARG 123 1HB ARG 123 6.953 -1.745 -1.745 939 1HG ARG 123 2HG ARG 123 6.835 -2.492 -2.492 940 2HG ARG 123 1HG ARG 123 5.497 -1.416 -1.416 941 1HD ARG 123 2HD ARG 123 7.496 -0.460 -0.460 942 2HD ARG 123 1HD ARG 123 7.053 0.568 0.568 943 HE ARG 123 HE ARG 123 8.786 -0.894 -0.894 944 1HH1 ARG 123 2HH1 ARG 123 9.137 0.003 0.003 945 2HH1 ARG 123 1HH1 ARG 123 10.839 -0.113 -0.113 946 1HH2 ARG 123 1HH2 ARG 123 10.914 -1.010 -1.010 947 2HH2 ARG 123 2HH2 ARG 123 11.902 -0.653 -0.653 948 H GLY 124 H GLY 124 6.066 -3.445 -3.445 949 1HA GLY 124 2HA GLY 124 6.449 -5.989 -5.989 950 2HA GLY 124 1HA GLY 124 6.626 -5.715 -5.715 951 H LEU 125 H LEU 125 4.083 -4.685 -4.685 952 HA LEU 125 HA LEU 125 2.533 -7.025 -7.025 953 1HB LEU 125 2HB LEU 125 2.346 -4.497 -4.497 954 2HB LEU 125 1HB LEU 125 1.215 -4.300 -4.300 955 HG LEU 125 HG LEU 125 -0.124 -4.831 -4.831 956 1HD1 LEU 125 1HD1 LEU 125 0.355 -7.464 -7.464 957 2HD1 LEU 125 3HD1 LEU 125 -1.054 -7.107 -7.107 958 3HD1 LEU 125 2HD1 LEU 125 -0.737 -6.189 -6.189 959 1HD2 LEU 125 1HD2 LEU 125 1.882 -7.002 -7.002 960 2HD2 LEU 125 3HD2 LEU 125 1.657 -5.461 -5.461 961 3HD2 LEU 125 2HD2 LEU 125 0.392 -6.667 -6.667 962 H LEU 126 H LEU 126 1.706 -4.448 -4.448 963 HA LEU 126 HA LEU 126 -0.155 -5.865 -5.865 964 1HB LEU 126 2HB LEU 126 1.929 -3.857 -3.857 965 2HB LEU 126 1HB LEU 126 0.879 -4.639 -4.639 966 HG LEU 126 HG LEU 126 -1.049 -4.054 -4.054 967 1HD1 LEU 126 2HD1 LEU 126 1.030 -1.965 -1.965 968 2HD1 LEU 126 1HD1 LEU 126 -0.658 -1.998 -1.998 969 3HD1 LEU 126 3HD1 LEU 126 0.420 -3.138 -3.138 970 1HD2 LEU 126 3HD2 LEU 126 -0.811 -3.046 -3.046 971 2HD2 LEU 126 2HD2 LEU 126 -1.597 -2.148 -2.148 972 3HD2 LEU 126 1HD2 LEU 126 0.056 -1.755 -1.755 973 H SER 127 H SER 127 3.286 -6.025 -6.025 974 HA SER 127 HA SER 127 3.291 -7.762 -7.762 975 1HB SER 127 2HB SER 127 5.263 -7.627 -7.627 976 2HB SER 127 1HB SER 127 5.599 -8.433 -8.433 977 HG SER 127 HG SER 127 5.131 -5.701 -5.701 978 H ASN 128 H ASN 128 3.177 -8.486 -8.486 979 HA ASN 128 HA ASN 128 2.950 -11.339 -11.339 980 1HB ASN 128 2HB ASN 128 2.083 -9.361 -9.361 981 2HB ASN 128 1HB ASN 128 1.968 -11.083 -11.083 982 1HD2 ASN 128 2HD2 ASN 128 5.420 -9.437 -9.437 983 2HD2 ASN 128 1HD2 ASN 128 3.998 -8.521 -8.521 984 H VAL 129 H VAL 129 0.430 -8.727 -8.727 985 HA VAL 129 HA VAL 129 -1.726 -10.583 -10.583 986 HB VAL 129 HB VAL 129 -1.371 -7.756 -7.756 987 1HG1 VAL 129 1HG1 VAL 129 -3.984 -9.339 -9.339 988 2HG1 VAL 129 3HG1 VAL 129 -3.953 -7.623 -7.623 989 3HG1 VAL 129 2HG1 VAL 129 -3.280 -8.652 -8.652 990 1HG2 VAL 129 3HG2 VAL 129 -1.435 -8.343 -8.343 991 2HG2 VAL 129 2HG2 VAL 129 -2.857 -7.377 -7.377 992 3HG2 VAL 129 1HG2 VAL 129 -2.986 -9.115 -9.115 993 H LEU 130 H LEU 130 -0.458 -8.870 -8.870 994 HA LEU 130 HA LEU 130 -2.100 -9.931 -9.931 995 1HB LEU 130 2HB LEU 130 0.222 -8.340 -8.340 996 2HB LEU 130 1HB LEU 130 0.759 -9.774 -9.774 997 HG LEU 130 HG LEU 130 -0.127 -8.117 -8.117 998 1HD1 LEU 130 3HD1 LEU 130 -0.522 -10.558 -10.558 999 2HD1 LEU 130 2HD1 LEU 130 -2.071 -10.466 -10.466 1000 3HD1 LEU 130 1HD1 LEU 130 -1.791 -9.547 -9.547 1001 1HD2 LEU 130 1HD2 LEU 130 -1.698 -7.002 -7.002 1002 2HD2 LEU 130 3HD2 LEU 130 -2.481 -7.386 -7.386 1003 3HD2 LEU 130 2HD2 LEU 130 -2.794 -8.345 -8.345 1004 H CYS 131 H CYS 131 0.881 -11.459 -11.459 1005 HA CYS 131 HA CYS 131 0.544 -13.729 -13.729 1006 1HB CYS 131 2HB CYS 131 2.196 -14.829 -14.829 1007 2HB CYS 131 1HB CYS 131 2.747 -13.312 -13.312 1008 H ARG 132 H ARG 132 -0.197 -13.384 -13.384 1009 HA ARG 132 HA ARG 132 -1.292 -16.011 -16.011 1010 1HB ARG 132 2HB ARG 132 -1.481 -13.616 -13.616 1011 2HB ARG 132 1HB ARG 132 -3.102 -14.274 -14.274 1012 1HG ARG 132 2HG ARG 132 -1.939 -16.603 -16.603 1013 2HG ARG 132 1HG ARG 132 -0.579 -15.668 -15.668 1014 1HD ARG 132 2HD ARG 132 -2.023 -16.280 -16.280 1015 2HD ARG 132 1HD ARG 132 -2.114 -14.525 -14.525 1016 HE ARG 132 HE ARG 132 -4.052 -16.172 -16.172 1017 1HH1 ARG 132 2HH1 ARG 132 -3.431 -14.297 -14.297 1018 2HH1 ARG 132 1HH1 ARG 132 -5.089 -13.960 -13.960 1019 1HH2 ARG 132 1HH2 ARG 132 -6.225 -15.796 -15.796 1020 2HH2 ARG 132 2HH2 ARG 132 -6.722 -14.910 -14.910 1021 H LEU 133 H LEU 133 -2.810 -13.015 -13.015 1022 HA LEU 133 HA LEU 133 -5.370 -13.969 -13.969 1023 1HB LEU 133 2HB LEU 133 -3.801 -11.631 -11.631 1024 2HB LEU 133 1HB LEU 133 -4.804 -12.138 -12.138 1025 HG LEU 133 HG LEU 133 -6.759 -12.272 -12.272 1026 1HD1 LEU 133 2HD1 LEU 133 -4.821 -10.907 -10.907 1027 2HD1 LEU 133 1HD1 LEU 133 -6.543 -11.103 -11.103 1028 3HD1 LEU 133 3HD1 LEU 133 -5.488 -12.502 -12.502 1029 1HD2 LEU 133 3HD2 LEU 133 -6.511 -10.343 -10.343 1030 2HD2 LEU 133 2HD2 LEU 133 -7.199 -9.937 -9.937 1031 3HD2 LEU 133 1HD2 LEU 133 -5.525 -9.538 -9.538 1032 H CYS 134 H CYS 134 -2.922 -13.895 -13.895 1033 HA CYS 134 HA CYS 134 -4.769 -15.062 -15.062 1034 1HB CYS 134 2HB CYS 134 -2.695 -16.338 -16.338 1035 2HB CYS 134 1HB CYS 134 -2.875 -14.642 -14.642 1036 H ASN 135 H ASN 135 -3.041 -16.717 -16.717 1037 HA ASN 135 HA ASN 135 -3.076 -19.360 -19.360 1038 1HB ASN 135 2HB ASN 135 -2.995 -18.568 -18.568 1039 2HB ASN 135 1HB ASN 135 -4.652 -18.009 -18.009 1040 1HD2 ASN 135 2HD2 ASN 135 -5.868 -21.145 -21.145 1041 2HD2 ASN 135 1HD2 ASN 135 -6.140 -19.473 -19.473 1042 H LYS 136 H LYS 136 -6.086 -17.663 -17.663 1043 HA LYS 136 HA LYS 136 -7.582 -19.006 -19.006 1044 1HB LYS 136 2HB LYS 136 -8.026 -19.772 -19.772 1045 2HB LYS 136 1HB LYS 136 -9.278 -20.035 -20.035 1046 1HG LYS 136 2HG LYS 136 -7.027 -21.366 -21.366 1047 2HG LYS 136 1HG LYS 136 -6.858 -21.647 -21.647 1048 1HD LYS 136 2HD LYS 136 -8.232 -23.473 -23.473 1049 2HD LYS 136 1HD LYS 136 -9.370 -22.372 -22.372 1050 1HE LYS 136 2HE LYS 136 -10.166 -23.039 -23.039 1051 2HE LYS 136 1HE LYS 136 -9.857 -21.310 -21.310 1052 1HZ LYS 136 2HZ LYS 136 -7.467 -22.661 -22.661 1053 2HZ LYS 136 1HZ LYS 136 -8.709 -23.179 -23.179 1054 3HZ LYS 136 3HZ LYS 136 -8.332 -21.525 -21.525 1055 H TYR 137 H TYR 137 -7.137 -16.245 -16.245 1056 HA TYR 137 HA TYR 137 -9.940 -15.845 -15.845 1057 1HB TYR 137 2HB TYR 137 -7.519 -14.089 -14.089 1058 2HB TYR 137 1HB TYR 137 -9.114 -13.571 -13.571 1059 HD1 TYR 137 HD1 TYR 137 -9.043 -17.082 -17.082 1060 HD2 TYR 137 HD2 TYR 137 -7.482 -13.304 -13.304 1061 HE1 TYR 137 HE1 TYR 137 -8.648 -17.909 -17.909 1062 HE2 TYR 137 HE2 TYR 137 -7.071 -14.127 -14.127 1063 HH TYR 137 HH TYR 137 -8.261 -17.292 -17.292 1064 H ARG 138 H ARG 138 -8.005 -14.124 -14.124 1065 HA ARG 138 HA ARG 138 -10.757 -13.507 -13.507 1066 1HB ARG 138 2HB ARG 138 -9.902 -11.583 -11.583 1067 2HB ARG 138 1HB ARG 138 -8.518 -11.471 -11.471 1068 1HG ARG 138 2HG ARG 138 -10.471 -9.804 -9.804 1069 2HG ARG 138 1HG ARG 138 -9.813 -10.662 -10.662 1070 1HD ARG 138 2HD ARG 138 -11.708 -12.080 -12.080 1071 2HD ARG 138 1HD ARG 138 -12.115 -11.819 -11.819 1072 HE ARG 138 HE ARG 138 -12.206 -9.452 -9.452 1073 1HH1 ARG 138 2HH1 ARG 138 -13.898 -12.091 -12.091 1074 2HH1 ARG 138 1HH1 ARG 138 -15.449 -11.366 -11.366 1075 1HH2 ARG 138 1HH2 ARG 138 -14.207 -8.433 -8.433 1076 2HH2 ARG 138 2HH2 ARG 138 -15.636 -9.198 -9.198 1077 H VAL 139 H VAL 139 -9.769 -15.395 -15.395 1078 HA VAL 139 HA VAL 139 -9.274 -16.392 -16.392 1079 HB VAL 139 HB VAL 139 -9.374 -15.215 -15.215 1080 1HG1 VAL 139 3HG1 VAL 139 -11.308 -14.507 -14.507 1081 2HG1 VAL 139 2HG1 VAL 139 -10.440 -13.075 -13.075 1082 3HG1 VAL 139 1HG1 VAL 139 -10.797 -13.256 -13.256 1083 1HG2 VAL 139 3HG2 VAL 139 -7.241 -14.031 -14.031 1084 2HG2 VAL 139 2HG2 VAL 139 -8.514 -12.981 -12.981 1085 3HG2 VAL 139 1HG2 VAL 139 -7.880 -12.768 -12.768 1086 H GLY 140 H GLY 140 -7.364 -14.016 -14.016 1087 1HA GLY 140 2HA GLY 140 -4.949 -15.342 -15.342 1088 2HA GLY 140 1HA GLY 140 -4.791 -14.543 -14.543 1089 H HIS 141 H HIS 141 -5.477 -12.149 -12.149 1090 HA HIS 141 HA HIS 141 -4.660 -10.957 -10.957 1091 1HB HIS 141 2HB HIS 141 -3.014 -10.343 -10.343 1092 2HB HIS 141 1HB HIS 141 -4.188 -10.079 -10.079 1093 HD1 HIS 141 HD1 HIS 141 -3.848 -8.536 -8.536 1094 HD2 HIS 141 HD2 HIS 141 -4.350 -7.432 -7.432 1095 HE1 HIS 141 HE1 HIS 141 -4.012 -6.051 -6.051 1096 H VAL 142 H VAL 142 -5.798 -9.523 -9.523 1097 HA VAL 142 HA VAL 142 -8.529 -9.332 -9.332 1098 HB VAL 142 HB VAL 142 -7.730 -8.745 -8.745 1099 1HG1 VAL 142 1HG1 VAL 142 -5.690 -6.853 -6.853 1100 2HG1 VAL 142 3HG1 VAL 142 -5.851 -7.160 -7.160 1101 3HG1 VAL 142 2HG1 VAL 142 -5.285 -8.431 -8.431 1102 1HG2 VAL 142 2HG2 VAL 142 -9.335 -7.007 -7.007 1103 2HG2 VAL 142 1HG2 VAL 142 -8.097 -6.339 -6.339 1104 3HG2 VAL 142 3HG2 VAL 142 -8.045 -6.011 -6.011 1105 H ASP 143 H ASP 143 -6.251 -7.334 -7.334 1106 HA ASP 143 HA ASP 143 -6.454 -5.584 -5.584 1107 1HB ASP 143 2HB ASP 143 -9.043 -6.893 -6.893 1108 2HB ASP 143 1HB ASP 143 -8.500 -5.668 -5.668 1109 H VAL 144 H VAL 144 -6.489 -4.132 -4.132 1110 HA VAL 144 HA VAL 144 -9.014 -2.644 -2.644 1111 HB VAL 144 HB VAL 144 -8.064 -3.796 -3.796 1112 1HG1 VAL 144 2HG1 VAL 144 -5.637 -2.001 -2.001 1113 2HG1 VAL 144 1HG1 VAL 144 -5.938 -3.009 -3.009 1114 3HG1 VAL 144 3HG1 VAL 144 -5.680 -3.744 -3.744 1115 1HG2 VAL 144 3HG2 VAL 144 -7.974 -0.776 -0.776 1116 2HG2 VAL 144 2HG2 VAL 144 -9.383 -1.813 -1.813 1117 3HG2 VAL 144 1HG2 VAL 144 -8.076 -1.902 -1.902 1118 HA PRO 145 HA PRO 145 -6.462 0.770 0.770 1119 1HB PRO 145 2HB PRO 145 -8.350 2.614 2.614 1120 2HB PRO 145 1HB PRO 145 -8.290 1.107 1.107 1121 1HG PRO 145 2HG PRO 145 -10.195 1.893 1.893 1122 2HG PRO 145 1HG PRO 145 -10.471 0.786 0.786 1123 1HD PRO 145 2HD PRO 145 -9.622 0.093 0.093 1124 2HD PRO 145 1HD PRO 145 -9.974 -1.010 -1.010 1125 HA PRO 146 HA PRO 146 -6.110 3.697 3.697 1126 1HB PRO 146 2HB PRO 146 -3.819 4.870 4.870 1127 2HB PRO 146 1HB PRO 146 -3.833 3.123 3.123 1128 1HG PRO 146 2HG PRO 146 -3.829 4.619 4.619 1129 2HG PRO 146 1HG PRO 146 -2.934 3.164 3.164 1130 1HD PRO 146 2HD PRO 146 -5.504 3.274 3.274 1131 2HD PRO 146 1HD PRO 146 -4.727 1.809 1.809 1132 H VAL 147 H VAL 147 -7.241 5.541 5.541 1133 HA VAL 147 HA VAL 147 -7.180 7.705 7.705 1134 HB VAL 147 HB VAL 147 -8.996 6.229 6.229 1135 1HG1 VAL 147 3HG1 VAL 147 -9.444 5.059 5.059 1136 2HG1 VAL 147 2HG1 VAL 147 -10.151 6.520 6.520 1137 3HG1 VAL 147 1HG1 VAL 147 -10.934 5.698 5.698 1138 1HG2 VAL 147 2HG2 VAL 147 -9.442 8.633 8.633 1139 2HG2 VAL 147 1HG2 VAL 147 -10.936 7.784 7.784 1140 3HG2 VAL 147 3HG2 VAL 147 -10.145 8.714 8.714 1141 HA PRO 148 HA PRO 148 -7.157 9.086 9.086 1142 1HB PRO 148 2HB PRO 148 -4.776 10.403 10.403 1143 2HB PRO 148 1HB PRO 148 -4.830 8.645 8.645 1144 1HG PRO 148 2HG PRO 148 -4.491 10.398 10.398 1145 2HG PRO 148 1HG PRO 148 -3.410 9.109 9.109 1146 1HD PRO 148 2HD PRO 148 -5.348 8.586 8.586 1147 2HD PRO 148 1HD PRO 148 -5.007 7.384 7.384 1148 H ASP 149 H ASP 149 -7.465 11.365 11.365 1149 HA ASP 149 HA ASP 149 -7.469 13.624 13.624 1150 1HB ASP 149 2HB ASP 149 -9.757 12.382 12.382 1151 2HB ASP 149 1HB ASP 149 -10.151 12.685 12.685 1152 H HIS 150 H HIS 150 -7.328 15.051 15.051 1153 HA HIS 150 HA HIS 150 -7.795 14.841 14.841 1154 1HB HIS 150 2HB HIS 150 -5.180 16.087 16.087 1155 2HB HIS 150 1HB HIS 150 -5.510 15.370 15.370 1156 HD1 HIS 150 HD1 HIS 150 -5.902 12.560 12.560 1157 HD2 HIS 150 HD2 HIS 150 -3.675 14.546 14.546 1158 HE1 HIS 150 HE1 HIS 150 -4.537 10.839 10.839 1159 H SER 151 H SER 151 -8.781 16.452 16.452 1160 HA SER 151 HA SER 151 -8.217 19.243 19.243 1161 1HB SER 151 2HB SER 151 -9.703 17.855 17.855 1162 2HB SER 151 1HB SER 151 -9.599 19.620 19.620 1163 HG SER 151 HG SER 151 -7.774 19.136 19.136 1164 H ASP 152 H ASP 152 -9.384 18.391 18.391 1165 HA ASP 152 HA ASP 152 -12.277 19.195 19.195 1166 1HB ASP 152 2HB ASP 152 -11.918 17.139 17.139 1167 2HB ASP 152 1HB ASP 152 -10.566 17.814 17.814 1168 H LYS 153 H LYS 153 -9.240 19.817 19.817 1169 HA LYS 153 HA LYS 153 -9.999 22.648 22.648 1170 1HB LYS 153 2HB LYS 153 -8.662 20.939 20.939 1171 2HB LYS 153 1HB LYS 153 -9.374 22.546 22.546 1172 1HG LYS 153 2HG LYS 153 -11.556 21.581 21.581 1173 2HG LYS 153 1HG LYS 153 -10.856 19.977 19.977 1174 1HD LYS 153 2HD LYS 153 -10.312 20.639 20.639 1175 2HD LYS 153 1HD LYS 153 -11.365 22.016 22.016 1176 1HE LYS 153 2HE LYS 153 -12.073 19.064 19.064 1177 2HE LYS 153 1HE LYS 153 -12.860 20.384 20.384 1178 1HZ LYS 153 3HZ LYS 153 -13.090 20.681 20.681 1179 2HZ LYS 153 2HZ LYS 153 -13.536 19.200 19.200 1180 3HZ LYS 153 1HZ LYS 153 -14.331 20.509 20.509 1181 H GLU 154 H GLU 154 -8.008 23.955 23.955 1182 HA GLU 154 HA GLU 154 -5.926 22.575 22.575 1183 1HB GLU 154 2HB GLU 154 -6.677 24.450 24.450 1184 2HB GLU 154 1HB GLU 154 -6.841 25.396 25.396 1185 1HG GLU 154 2HG GLU 154 -4.982 26.008 26.008 1186 2HG GLU 154 1HG GLU 154 -4.634 26.233 26.233 1187 H VAL 155 H VAL 155 -5.332 25.269 25.269 1188 HA VAL 155 HA VAL 155 -2.667 24.838 24.838 1189 HB VAL 155 HB VAL 155 -4.682 25.456 25.456 1190 1HG1 VAL 155 1HG1 VAL 155 -1.825 26.422 26.422 1191 2HG1 VAL 155 3HG1 VAL 155 -2.874 26.878 26.878 1192 3HG1 VAL 155 2HG1 VAL 155 -2.348 25.219 25.219 1193 1HG2 VAL 155 1HG2 VAL 155 -3.581 27.435 27.435 1194 2HG2 VAL 155 3HG2 VAL 155 -5.258 26.937 26.937 1195 3HG2 VAL 155 2HG2 VAL 155 -4.540 27.865 27.865 1196 H PHE 156 H PHE 156 -5.401 23.442 23.442 1197 HA PHE 156 HA PHE 156 -4.295 21.538 21.538 1198 1HB PHE 156 2HB PHE 156 -6.816 21.105 21.105 1199 2HB PHE 156 1HB PHE 156 -6.498 20.589 20.589 1200 HD1 PHE 156 HD1 PHE 156 -7.271 23.524 23.524 1201 HD2 PHE 156 HD2 PHE 156 -6.948 22.059 22.059 1202 HE1 PHE 156 HE1 PHE 156 -8.395 25.524 25.524 1203 HE2 PHE 156 HE2 PHE 156 -8.089 24.061 24.061 1204 HZ PHE 156 HZ PHE 156 -8.815 25.763 25.763 1205 H GLN 157 H GLN 157 -5.806 20.827 20.827 1206 HA GLN 157 HA GLN 157 -5.064 18.287 18.287 1207 1HB GLN 157 2HB GLN 157 -6.008 19.335 19.335 1208 2HB GLN 157 1HB GLN 157 -5.050 20.755 20.755 1209 1HG GLN 157 2HG GLN 157 -3.382 18.481 18.481 1210 2HG GLN 157 1HG GLN 157 -4.742 18.809 18.809 1211 1HE2 GLN 157 2HE2 GLN 157 -3.572 22.069 22.069 1212 2HE2 GLN 157 1HE2 GLN 157 -4.830 20.938 20.938 1213 H LYS 158 H LYS 158 -2.866 20.907 20.907 1214 HA LYS 158 HA LYS 158 -0.546 19.339 19.339 1215 1HB LYS 158 2HB LYS 158 -1.165 21.831 21.831 1216 2HB LYS 158 1HB LYS 158 -0.612 22.010 22.010 1217 1HG LYS 158 2HG LYS 158 1.642 21.582 21.582 1218 2HG LYS 158 1HG LYS 158 1.258 20.812 20.812 1219 1HD LYS 158 2HD LYS 158 0.713 23.779 23.779 1220 2HD LYS 158 1HD LYS 158 2.197 23.199 23.199 1221 1HE LYS 158 2HE LYS 158 0.889 23.783 23.783 1222 2HE LYS 158 1HE LYS 158 0.706 22.046 22.046 1223 1HZ LYS 158 2HZ LYS 158 -1.415 23.305 23.305 1224 2HZ LYS 158 1HZ LYS 158 -1.397 23.934 23.934 1225 3HZ LYS 158 3HZ LYS 158 -1.467 22.279 22.279 1226 H LYS 159 H LYS 159 -1.640 20.647 20.647 1227 HA LYS 159 HA LYS 159 0.492 19.317 19.317 1228 1HB LYS 159 2HB LYS 159 -1.892 21.109 21.109 1229 2HB LYS 159 1HB LYS 159 -1.012 20.411 20.411 1230 1HG LYS 159 2HG LYS 159 1.016 21.593 21.593 1231 2HG LYS 159 1HG LYS 159 0.549 21.759 21.759 1232 1HD LYS 159 2HD LYS 159 -1.170 23.421 23.421 1233 2HD LYS 159 1HD LYS 159 -0.776 23.279 23.279 1234 1HE LYS 159 2HE LYS 159 1.325 24.001 24.001 1235 2HE LYS 159 1HE LYS 159 0.346 25.240 25.240 1236 1HZ LYS 159 2HZ LYS 159 1.378 23.622 23.622 1237 2HZ LYS 159 1HZ LYS 159 2.660 23.955 23.955 1238 3HZ LYS 159 3HZ LYS 159 1.745 25.226 25.226 1239 H LYS 160 H LYS 160 -3.023 18.711 18.711 1240 HA LYS 160 HA LYS 160 -2.652 16.272 16.272 1241 1HB LYS 160 2HB LYS 160 -5.141 16.026 16.026 1242 2HB LYS 160 1HB LYS 160 -4.771 17.579 17.579 1243 1HG LYS 160 2HG LYS 160 -5.125 18.591 18.591 1244 2HG LYS 160 1HG LYS 160 -5.273 17.021 17.021 1245 1HD LYS 160 2HD LYS 160 -7.341 16.747 16.747 1246 2HD LYS 160 1HD LYS 160 -7.180 18.454 18.454 1247 1HE LYS 160 2HE LYS 160 -8.845 17.956 17.956 1248 2HE LYS 160 1HE LYS 160 -7.515 18.931 18.931 1249 1HZ LYS 160 2HZ LYS 160 -6.909 16.148 16.148 1250 2HZ LYS 160 1HZ LYS 160 -8.406 16.522 16.522 1251 3HZ LYS 160 3HZ LYS 160 -7.035 17.359 17.359 1252 H LEU 161 H LEU 161 -2.139 16.904 16.904 1253 HA LEU 161 HA LEU 161 -3.306 15.182 15.182 1254 1HB LEU 161 2HB LEU 161 -0.759 16.404 16.404 1255 2HB LEU 161 1HB LEU 161 -0.372 14.695 14.695 1256 HG LEU 161 HG LEU 161 -2.341 15.628 15.628 1257 1HD1 LEU 161 2HD1 LEU 161 0.689 15.638 15.638 1258 2HD1 LEU 161 1HD1 LEU 161 -0.473 15.791 15.791 1259 3HD1 LEU 161 3HD1 LEU 161 -0.372 17.018 17.018 1260 1HD2 LEU 161 2HD2 LEU 161 -0.462 13.191 13.191 1261 2HD2 LEU 161 1HD2 LEU 161 -2.194 13.192 13.192 1262 3HD2 LEU 161 3HD2 LEU 161 -1.519 13.573 13.573 1263 H GLY 162 H GLY 162 -1.147 14.433 14.433 1264 1HA GLY 162 2HA GLY 162 -1.668 11.503 11.503 1265 2HA GLY 162 1HA GLY 162 -0.307 12.250 12.250 1266 H CYS 163 H CYS 163 -2.153 14.260 14.260 1267 HA CYS 163 HA CYS 163 -2.768 12.837 12.837 1268 1HB CYS 163 2HB CYS 163 -2.152 15.395 15.395 1269 2HB CYS 163 1HB CYS 163 -3.897 15.579 15.579 1270 H GLN 164 H GLN 164 -4.857 14.270 14.270 1271 HA GLN 164 HA GLN 164 -7.330 13.433 13.433 1272 1HB GLN 164 2HB GLN 164 -6.582 14.814 14.814 1273 2HB GLN 164 1HB GLN 164 -7.410 13.367 13.367 1274 1HG GLN 164 2HG GLN 164 -8.584 15.218 15.218 1275 2HG GLN 164 1HG GLN 164 -9.051 15.368 15.368 1276 1HE2 GLN 164 2HE2 GLN 164 -11.093 12.902 12.902 1277 2HE2 GLN 164 1HE2 GLN 164 -10.454 14.417 14.417 1278 H LEU 165 H LEU 165 -4.765 11.953 11.953 1279 HA LEU 165 HA LEU 165 -6.251 9.470 9.470 1280 1HB LEU 165 2HB LEU 165 -3.679 10.690 10.690 1281 2HB LEU 165 1HB LEU 165 -3.578 8.966 8.966 1282 HG LEU 165 HG LEU 165 -5.745 10.344 10.344 1283 1HD1 LEU 165 2HD1 LEU 165 -3.208 8.921 8.921 1284 2HD1 LEU 165 1HD1 LEU 165 -4.503 9.463 9.463 1285 3HD1 LEU 165 3HD1 LEU 165 -3.551 10.636 10.636 1286 1HD2 LEU 165 3HD2 LEU 165 -4.949 7.411 7.411 1287 2HD2 LEU 165 2HD2 LEU 165 -6.445 8.144 8.144 1288 3HD2 LEU 165 1HD2 LEU 165 -6.076 7.951 7.951 1289 H LEU 166 H LEU 166 -3.682 10.715 10.715 1290 HA LEU 166 HA LEU 166 -3.409 8.054 8.054 1291 1HB LEU 166 2HB LEU 166 -2.517 10.741 10.741 1292 2HB LEU 166 1HB LEU 166 -2.815 9.650 9.650 1293 HG LEU 166 HG LEU 166 -0.445 9.505 9.505 1294 1HD1 LEU 166 2HD1 LEU 166 -1.468 7.467 7.467 1295 2HD1 LEU 166 1HD1 LEU 166 -2.042 6.938 6.938 1296 3HD1 LEU 166 3HD1 LEU 166 -0.337 7.005 7.005 1297 1HD2 LEU 166 3HD2 LEU 166 -1.711 8.462 8.462 1298 2HD2 LEU 166 2HD2 LEU 166 -0.805 9.953 9.953 1299 3HD2 LEU 166 1HD2 LEU 166 -0.003 8.408 8.408 1300 H GLY 167 H GLY 167 -5.553 10.739 10.739 1301 1HA GLY 167 2HA GLY 167 -6.733 9.685 9.685 1302 2HA GLY 167 1HA GLY 167 -7.646 10.565 10.565 1303 H THR 168 H THR 168 -8.024 9.309 9.309 1304 HA THR 168 HA THR 168 -9.809 7.203 7.203 1305 HB THR 168 HB THR 168 -7.979 7.610 7.610 1306 HG1 THR 168 HG1 THR 168 -8.740 9.653 9.653 1307 1HG2 THR 168 2HG2 THR 168 -11.052 7.695 7.695 1308 2HG2 THR 168 1HG2 THR 168 -10.105 7.676 7.676 1309 3HG2 THR 168 3HG2 THR 168 -10.226 6.214 6.214 1310 H TYR 169 H TYR 169 -6.559 6.895 6.895 1311 HA TYR 169 HA TYR 169 -6.099 4.211 4.211 1312 1HB TYR 169 2HB TYR 169 -4.534 5.905 5.905 1313 2HB TYR 169 1HB TYR 169 -4.350 6.423 6.423 1314 HD1 TYR 169 HD1 TYR 169 -3.030 5.124 5.124 1315 HD2 TYR 169 HD2 TYR 169 -3.204 4.066 4.066 1316 HE1 TYR 169 HE1 TYR 169 -0.971 3.771 3.771 1317 HE2 TYR 169 HE2 TYR 169 -1.162 2.721 2.721 1318 HH TYR 169 HH TYR 169 0.863 3.343 3.343 1319 H LYS 170 H LYS 170 -5.960 6.172 6.172 1320 HA LYS 170 HA LYS 170 -5.084 3.970 3.970 1321 1HB LYS 170 2HB LYS 170 -5.090 6.378 6.378 1322 2HB LYS 170 1HB LYS 170 -6.855 6.339 6.339 1323 1HG LYS 170 2HG LYS 170 -6.945 4.891 4.891 1324 2HG LYS 170 1HG LYS 170 -5.258 4.464 4.464 1325 1HD LYS 170 2HD LYS 170 -5.567 5.976 5.976 1326 2HD LYS 170 1HD LYS 170 -4.600 6.771 6.771 1327 1HE LYS 170 2HE LYS 170 -7.612 7.256 7.256 1328 2HE LYS 170 1HE LYS 170 -6.372 8.219 8.219 1329 1HZ LYS 170 1HZ LYS 170 -5.756 8.042 8.042 1330 2HZ LYS 170 3HZ LYS 170 -7.380 8.507 8.507 1331 3HZ LYS 170 2HZ LYS 170 -6.171 9.427 9.427 1332 H GLN 171 H GLN 171 -8.364 5.243 5.243 1333 HA GLN 171 HA GLN 171 -9.622 3.097 3.097 1334 1HB GLN 171 2HB GLN 171 -10.669 5.339 5.339 1335 2HB GLN 171 1HB GLN 171 -10.854 4.699 4.699 1336 1HG GLN 171 2HG GLN 171 -11.985 2.936 2.936 1337 2HG GLN 171 1HG GLN 171 -12.779 4.479 4.479 1338 1HE2 GLN 171 2HE2 GLN 171 -13.302 1.641 1.641 1339 2HE2 GLN 171 1HE2 GLN 171 -12.097 1.395 1.395 1340 H VAL 172 H VAL 172 -8.721 3.134 3.134 1341 HA VAL 172 HA VAL 172 -10.194 0.658 0.658 1342 HB VAL 172 HB VAL 172 -9.352 1.199 1.199 1343 1HG1 VAL 172 2HG1 VAL 172 -11.399 2.387 2.387 1344 2HG1 VAL 172 1HG1 VAL 172 -10.375 3.682 3.682 1345 3HG1 VAL 172 3HG1 VAL 172 -10.480 3.355 3.355 1346 1HG2 VAL 172 1HG2 VAL 172 -7.838 3.346 3.346 1347 2HG2 VAL 172 3HG2 VAL 172 -7.133 1.988 1.988 1348 3HG2 VAL 172 2HG2 VAL 172 -8.047 3.220 3.220 1349 H ILE 173 H ILE 173 -6.769 1.729 1.729 1350 HA ILE 173 HA ILE 173 -5.580 -0.756 -0.756 1351 HB ILE 173 HB ILE 173 -4.782 1.541 1.541 1352 1HG1 ILE 173 2HG1 ILE 173 -4.740 1.712 1.712 1353 2HG1 ILE 173 1HG1 ILE 173 -3.254 2.118 2.118 1354 1HG2 ILE 173 3HG2 ILE 173 -3.052 -0.908 -0.908 1355 2HG2 ILE 173 2HG2 ILE 173 -2.515 0.604 0.604 1356 3HG2 ILE 173 1HG2 ILE 173 -3.723 -0.384 -0.384 1357 1HD1 ILE 173 2HD1 ILE 173 -3.876 -0.609 -0.609 1358 2HD1 ILE 173 1HD1 ILE 173 -2.913 0.597 0.597 1359 3HD1 ILE 173 3HD1 ILE 173 -2.334 -0.130 -0.130 1360 H SER 174 H SER 174 -6.938 0.541 0.541 1361 HA SER 174 HA SER 174 -6.322 -1.686 -1.686 1362 1HB SER 174 2HB SER 174 -8.647 -0.829 -0.829 1363 2HB SER 174 1HB SER 174 -7.137 0.071 0.071 1364 HG SER 174 HG SER 174 -9.314 0.551 0.551 1365 H VAL 175 H VAL 175 -8.411 -1.439 -1.439 1366 HA VAL 175 HA VAL 175 -10.152 -3.718 -3.718 1367 HB VAL 175 HB VAL 175 -10.236 -1.827 -1.827 1368 1HG1 VAL 175 1HG1 VAL 175 -12.115 -4.098 -4.098 1369 2HG1 VAL 175 3HG1 VAL 175 -12.339 -2.929 -2.929 1370 3HG1 VAL 175 2HG1 VAL 175 -11.002 -4.049 -4.049 1371 1HG2 VAL 175 1HG2 VAL 175 -10.876 -0.899 -0.899 1372 2HG2 VAL 175 3HG2 VAL 175 -12.245 -0.985 -0.985 1373 3HG2 VAL 175 2HG2 VAL 175 -12.059 -2.184 -2.184 1374 H VAL 176 H VAL 176 -7.486 -2.828 -2.828 1375 HA VAL 176 HA VAL 176 -7.968 -5.304 -5.304 1376 HB VAL 176 HB VAL 176 -6.212 -4.746 -4.746 1377 1HG1 VAL 176 1HG1 VAL 176 -8.505 -3.630 -3.630 1378 2HG1 VAL 176 3HG1 VAL 176 -7.901 -2.307 -2.307 1379 3HG1 VAL 176 2HG1 VAL 176 -7.261 -2.581 -2.581 1380 1HG2 VAL 176 2HG2 VAL 176 -5.988 -2.468 -2.468 1381 2HG2 VAL 176 1HG2 VAL 176 -4.689 -3.621 -3.621 1382 3HG2 VAL 176 3HG2 VAL 176 -5.146 -2.497 -2.497 1383 H VAL 177 H VAL 177 -5.913 -3.936 -3.936 1384 HA VAL 177 HA VAL 177 -3.841 -5.922 -5.922 1385 HB VAL 177 HB VAL 177 -3.971 -3.453 -3.453 1386 1HG1 VAL 177 2HG1 VAL 177 -6.022 -3.629 -3.629 1387 2HG1 VAL 177 1HG1 VAL 177 -5.279 -4.749 -4.749 1388 3HG1 VAL 177 3HG1 VAL 177 -4.694 -3.100 -3.100 1389 1HG2 VAL 177 1HG2 VAL 177 -2.907 -5.609 -5.609 1390 2HG2 VAL 177 3HG2 VAL 177 -1.981 -4.882 -4.882 1391 3HG2 VAL 177 2HG2 VAL 177 -2.461 -3.920 -3.920 1392 H GLN 178 H GLN 178 -7.072 -5.510 -5.510 1393 HA GLN 178 HA GLN 178 -6.969 -8.027 -8.027 1394 1HB GLN 178 2HB GLN 178 -7.761 -5.804 -5.804 1395 2HB GLN 178 1HB GLN 178 -9.130 -5.897 -5.897 1396 1HG GLN 178 2HG GLN 178 -9.819 -6.790 -6.790 1397 2HG GLN 178 1HG GLN 178 -9.820 -8.087 -8.087 1398 1HE2 GLN 178 2HE2 GLN 178 -7.443 -8.441 -8.441 1399 2HE2 GLN 178 1HE2 GLN 178 -8.564 -7.164 -7.164 1400 H ALA 179 H ALA 179 -7.118 -7.561 -7.561 1401 HA ALA 179 HA ALA 179 -9.785 -8.703 -8.703 1402 1HB ALA 179 3HB ALA 179 -7.596 -7.720 -7.720 1403 2HB ALA 179 2HB ALA 179 -9.146 -8.321 -8.321 1404 3HB ALA 179 1HB ALA 179 -9.079 -6.855 -6.855 1405 H PHE 180 H PHE 180 -6.404 -9.225 -9.225 1406 HA PHE 180 HA PHE 180 -6.936 -12.125 -12.125 1407 1HB PHE 180 2HB PHE 180 -4.708 -11.776 -11.776 1408 2HB PHE 180 1HB PHE 180 -6.267 -11.271 -11.271 1409 HD1 PHE 180 HD2 PHE 180 -3.346 -9.865 -9.865 1410 HD2 PHE 180 HD1 PHE 180 -6.513 -9.110 -9.110 1411 HE1 PHE 180 HE2 PHE 180 -2.620 -7.526 -7.526 1412 HE2 PHE 180 HE1 PHE 180 -5.783 -6.794 -6.794 1413 HZ PHE 180 HZ PHE 180 -3.765 -6.055 -6.055 Start of MODEL 11 1 1H SER 1 1H SER 1 2.170 -17.105 -17.105 2 2H SER 1 3H SER 1 3.114 -18.452 -18.452 3 3H SER 1 2H SER 1 3.600 -16.885 -16.885 4 HA SER 1 HA SER 1 2.419 -17.083 -17.083 5 1HB SER 1 2HB SER 1 0.994 -19.543 -19.543 6 2HB SER 1 1HB SER 1 2.626 -19.349 -19.349 7 HG SER 1 HG SER 1 2.933 -20.713 -20.713 8 HA PRO 2 HA PRO 2 -1.359 -16.001 -16.001 9 1HB PRO 2 2HB PRO 2 -2.238 -17.257 -17.257 10 2HB PRO 2 1HB PRO 2 -2.607 -17.923 -17.923 11 1HG PRO 2 2HG PRO 2 -0.456 -18.819 -18.819 12 2HG PRO 2 1HG PRO 2 -1.495 -19.812 -19.812 13 1HD PRO 2 2HD PRO 2 1.161 -19.028 -19.028 14 2HD PRO 2 1HD PRO 2 0.038 -19.664 -19.664 15 H LEU 3 H LEU 3 -1.466 -14.687 -14.687 16 HA LEU 3 HA LEU 3 1.184 -14.508 -14.508 17 1HB LEU 3 2HB LEU 3 -0.420 -12.131 -12.131 18 2HB LEU 3 1HB LEU 3 1.087 -12.058 -12.058 19 HG LEU 3 HG LEU 3 1.974 -13.617 -13.617 20 1HD1 LEU 3 2HD1 LEU 3 -0.268 -13.812 -13.812 21 2HD1 LEU 3 1HD1 LEU 3 -0.308 -12.074 -12.074 22 3HD1 LEU 3 3HD1 LEU 3 0.904 -13.014 -13.014 23 1HD2 LEU 3 1HD2 LEU 3 2.852 -11.361 -11.361 24 2HD2 LEU 3 3HD2 LEU 3 2.711 -11.550 -11.550 25 3HD2 LEU 3 2HD2 LEU 3 1.515 -10.618 -10.618 26 HA PRO 4 HA PRO 4 -2.548 -14.616 -14.616 27 1HB PRO 4 2HB PRO 4 -1.488 -16.329 -16.329 28 2HB PRO 4 1HB PRO 4 -2.291 -16.906 -16.906 29 1HG PRO 4 2HG PRO 4 0.714 -16.397 -16.397 30 2HG PRO 4 1HG PRO 4 -0.050 -17.890 -17.890 31 1HD PRO 4 2HD PRO 4 0.914 -16.167 -16.167 32 2HD PRO 4 1HD PRO 4 -0.698 -16.855 -16.855 33 H ILE 5 H ILE 5 -2.879 -13.507 -13.507 34 HA ILE 5 HA ILE 5 -0.550 -12.137 -12.137 35 HB ILE 5 HB ILE 5 -1.686 -10.645 -10.645 36 1HG1 ILE 5 2HG1 ILE 5 -2.432 -9.828 -9.828 37 2HG1 ILE 5 1HG1 ILE 5 -0.830 -9.685 -9.685 38 1HG2 ILE 5 1HG2 ILE 5 -3.907 -11.720 -11.720 39 2HG2 ILE 5 3HG2 ILE 5 -4.282 -11.191 -11.191 40 3HG2 ILE 5 2HG2 ILE 5 -4.093 -10.022 -10.022 41 1HD1 ILE 5 3HD1 ILE 5 -1.737 -8.154 -8.154 42 2HD1 ILE 5 2HD1 ILE 5 -3.335 -8.278 -8.278 43 3HD1 ILE 5 1HD1 ILE 5 -2.026 -7.532 -7.532 44 H THR 6 H THR 6 -0.907 -14.118 -14.118 45 HA THR 6 HA THR 6 -2.079 -15.430 -15.430 46 HB THR 6 HB THR 6 -0.839 -13.021 -13.021 47 HG1 THR 6 HG1 THR 6 0.872 -13.685 -13.685 48 1HG2 THR 6 3HG2 THR 6 -0.683 -16.058 -16.058 49 2HG2 THR 6 2HG2 THR 6 0.012 -14.802 -14.802 50 3HG2 THR 6 1HG2 THR 6 -1.727 -15.003 -15.003 51 HA PRO 7 HA PRO 7 -5.803 -12.692 -12.692 52 1HB PRO 7 2HB PRO 7 -7.654 -13.895 -13.895 53 2HB PRO 7 1HB PRO 7 -6.360 -12.950 -12.950 54 1HG PRO 7 2HG PRO 7 -6.428 -15.984 -15.984 55 2HG PRO 7 1HG PRO 7 -6.154 -15.168 -15.168 56 1HD PRO 7 2HD PRO 7 -4.035 -15.962 -15.962 57 2HD PRO 7 1HD PRO 7 -3.962 -14.453 -14.453 58 H VAL 8 H VAL 8 -5.136 -13.887 -13.887 59 HA VAL 8 HA VAL 8 -7.189 -15.940 -15.940 60 HB VAL 8 HB VAL 8 -5.001 -16.942 -16.942 61 1HG1 VAL 8 2HG1 VAL 8 -3.626 -14.779 -14.779 62 2HG1 VAL 8 1HG1 VAL 8 -4.049 -14.599 -14.599 63 3HG1 VAL 8 3HG1 VAL 8 -3.137 -15.974 -15.974 64 1HG2 VAL 8 1HG2 VAL 8 -6.497 -17.357 -17.357 65 2HG2 VAL 8 3HG2 VAL 8 -4.811 -17.352 -17.352 66 3HG2 VAL 8 2HG2 VAL 8 -5.824 -15.971 -15.971 67 H ASN 9 H ASN 9 -5.270 -13.482 -13.482 68 HA ASN 9 HA ASN 9 -7.720 -12.587 -12.587 69 1HB ASN 9 2HB ASN 9 -6.562 -12.775 -12.775 70 2HB ASN 9 1HB ASN 9 -6.734 -14.316 -14.316 71 1HD2 ASN 9 2HD2 ASN 9 -2.862 -13.369 -13.369 72 2HD2 ASN 9 1HD2 ASN 9 -3.964 -12.587 -12.587 73 H ALA 10 H ALA 10 -4.894 -11.550 -11.550 74 HA ALA 10 HA ALA 10 -4.806 -9.019 -9.019 75 1HB ALA 10 2HB ALA 10 -4.938 -9.103 -9.103 76 2HB ALA 10 1HB ALA 10 -4.717 -7.662 -7.662 77 3HB ALA 10 3HB ALA 10 -6.209 -8.527 -8.527 78 H THR 11 H THR 11 -3.254 -9.952 -9.952 79 HA THR 11 HA THR 11 -0.683 -10.217 -10.217 80 HB THR 11 HB THR 11 0.013 -9.473 -9.473 81 HG1 THR 11 HG1 THR 11 -1.993 -7.682 -7.682 82 1HG2 THR 11 1HG2 THR 11 -0.678 -7.713 -7.713 83 2HG2 THR 11 3HG2 THR 11 0.361 -7.224 -7.224 84 3HG2 THR 11 2HG2 THR 11 0.850 -8.519 -8.519 85 H CYS 12 H CYS 12 -2.808 -11.694 -11.694 86 HA CYS 12 HA CYS 12 -0.959 -13.358 -13.358 87 1HB CYS 12 2HB CYS 12 -3.919 -13.250 -13.250 88 2HB CYS 12 1HB CYS 12 -3.204 -14.697 -14.697 89 H ALA 13 H ALA 13 -0.682 -13.337 -13.337 90 HA ALA 13 HA ALA 13 -0.378 -16.173 -16.173 91 1HB ALA 13 1HB ALA 13 -2.345 -15.283 -15.283 92 2HB ALA 13 3HB ALA 13 -1.313 -14.015 -14.015 93 3HB ALA 13 2HB ALA 13 -1.006 -15.699 -15.699 94 H ILE 14 H ILE 14 0.634 -12.766 -12.766 95 HA ILE 14 HA ILE 14 3.264 -14.058 -14.058 96 HB ILE 14 HB ILE 14 3.612 -12.036 -12.036 97 1HG1 ILE 14 2HG1 ILE 14 1.847 -10.629 -10.629 98 2HG1 ILE 14 1HG1 ILE 14 0.589 -11.624 -11.624 99 1HG2 ILE 14 3HG2 ILE 14 1.257 -13.882 -13.882 100 2HG2 ILE 14 2HG2 ILE 14 2.176 -12.971 -12.971 101 3HG2 ILE 14 1HG2 ILE 14 2.954 -14.241 -14.241 102 1HD1 ILE 14 1HD1 ILE 14 2.614 -10.011 -10.011 103 2HD1 ILE 14 3HD1 ILE 14 0.971 -9.505 -9.505 104 3HD1 ILE 14 2HD1 ILE 14 1.263 -10.904 -10.904 105 H ARG 15 H ARG 15 2.020 -13.069 -13.069 106 HA ARG 15 HA ARG 15 4.008 -10.863 -10.863 107 1HB ARG 15 2HB ARG 15 1.697 -10.439 -10.439 108 2HB ARG 15 1HB ARG 15 1.628 -11.894 -11.894 109 1HG ARG 15 2HG ARG 15 3.692 -10.914 -10.914 110 2HG ARG 15 1HG ARG 15 3.443 -9.448 -9.448 111 1HD ARG 15 2HD ARG 15 0.985 -9.475 -9.475 112 2HD ARG 15 1HD ARG 15 1.642 -10.715 -10.715 113 HE ARG 15 HE ARG 15 3.062 -9.175 -9.175 114 1HH1 ARG 15 2HH1 ARG 15 1.491 -7.825 -7.825 115 2HH1 ARG 15 1HH1 ARG 15 1.860 -6.183 -6.183 116 1HH2 ARG 15 1HH2 ARG 15 3.683 -6.903 -6.903 117 2HH2 ARG 15 2HH2 ARG 15 3.076 -5.690 -5.690 118 H HIS 16 H HIS 16 2.710 -13.361 -13.361 119 HA HIS 16 HA HIS 16 5.372 -14.635 -14.635 120 1HB HIS 16 2HB HIS 16 3.757 -13.345 -13.345 121 2HB HIS 16 1HB HIS 16 4.741 -14.758 -14.758 122 HD1 HIS 16 HD1 HIS 16 6.333 -12.509 -12.509 123 HD2 HIS 16 HD2 HIS 16 6.296 -12.955 -12.955 124 HE1 HIS 16 HE1 HIS 16 8.253 -11.238 -11.238 125 HA PRO 17 HA PRO 17 2.328 -17.950 -17.950 126 1HB PRO 17 2HB PRO 17 3.777 -20.057 -20.057 127 2HB PRO 17 1HB PRO 17 3.387 -18.828 -18.828 128 1HG PRO 17 2HG PRO 17 6.033 -19.303 -19.303 129 2HG PRO 17 1HG PRO 17 5.770 -18.651 -18.651 130 1HD PRO 17 2HD PRO 17 6.098 -17.143 -17.143 131 2HD PRO 17 1HD PRO 17 5.962 -16.500 -16.500 132 H CYS 18 H CYS 18 2.382 -17.343 -17.343 133 HA CYS 18 HA CYS 18 4.107 -19.206 -19.206 134 1HB CYS 18 2HB CYS 18 3.830 -17.604 -17.604 135 2HB CYS 18 1HB CYS 18 4.526 -16.819 -16.819 136 H HIS 19 H HIS 19 2.878 -19.279 -19.279 137 HA HIS 19 HA HIS 19 0.103 -20.180 -20.180 138 1HB HIS 19 2HB HIS 19 2.219 -21.688 -21.688 139 2HB HIS 19 1HB HIS 19 0.580 -22.257 -22.257 140 HD1 HIS 19 HD1 HIS 19 0.491 -21.469 -21.469 141 HD2 HIS 19 HD2 HIS 19 3.567 -23.541 -23.541 142 HE1 HIS 19 HE1 HIS 19 1.607 -22.727 -22.727 143 H GLY 20 H GLY 20 -0.111 -21.186 -21.186 144 1HA GLY 20 2HA GLY 20 -0.924 -18.672 -18.672 145 2HA GLY 20 1HA GLY 20 -1.181 -20.305 -20.305 146 H ASN 21 H ASN 21 1.408 -18.139 -18.139 147 HA ASN 21 HA ASN 21 3.053 -19.123 -19.123 148 1HB ASN 21 2HB ASN 21 3.812 -17.271 -17.271 149 2HB ASN 21 1HB ASN 21 4.907 -17.901 -17.901 150 1HD2 ASN 21 2HD2 ASN 21 5.211 -21.010 -21.010 151 2HD2 ASN 21 1HD2 ASN 21 5.628 -20.092 -20.092 152 H LEU 22 H LEU 22 1.896 -16.071 -16.071 153 HA LEU 22 HA LEU 22 2.643 -14.639 -14.639 154 1HB LEU 22 2HB LEU 22 2.417 -12.625 -12.625 155 2HB LEU 22 1HB LEU 22 3.457 -13.791 -13.791 156 HG LEU 22 HG LEU 22 0.846 -14.574 -14.574 157 1HD1 LEU 22 2HD1 LEU 22 0.775 -11.547 -11.547 158 2HD1 LEU 22 1HD1 LEU 22 -0.319 -12.477 -12.477 159 3HD1 LEU 22 3HD1 LEU 22 -0.280 -12.681 -12.681 160 1HD2 LEU 22 1HD2 LEU 22 2.826 -12.956 -12.956 161 2HD2 LEU 22 3HD2 LEU 22 2.730 -14.679 -14.679 162 3HD2 LEU 22 2HD2 LEU 22 1.445 -13.812 -13.812 163 H MET 23 H MET 23 0.237 -16.341 -16.341 164 HA MET 23 HA MET 23 -2.179 -15.230 -15.230 165 1HB MET 23 2HB MET 23 -1.652 -17.743 -17.743 166 2HB MET 23 1HB MET 23 -1.776 -17.232 -17.232 167 1HG MET 23 2HG MET 23 -4.049 -16.240 -16.240 168 2HG MET 23 1HG MET 23 -3.915 -16.931 -16.931 169 1HE MET 23 2HE MET 23 -4.210 -17.691 -17.691 170 2HE MET 23 1HE MET 23 -5.734 -17.171 -17.171 171 3HE MET 23 3HE MET 23 -5.561 -18.796 -18.796 172 H ASN 24 H ASN 24 -0.429 -15.465 -15.465 173 HA ASN 24 HA ASN 24 -1.972 -13.220 -13.220 174 1HB ASN 24 2HB ASN 24 -1.436 -14.314 -14.314 175 2HB ASN 24 1HB ASN 24 -2.479 -15.312 -15.312 176 1HD2 ASN 24 2HD2 ASN 24 -0.086 -17.910 -17.910 177 2HD2 ASN 24 1HD2 ASN 24 -1.727 -17.476 -17.476 178 H GLN 25 H GLN 25 0.902 -13.894 -13.894 179 HA GLN 25 HA GLN 25 2.697 -12.688 -12.688 180 1HB GLN 25 2HB GLN 25 3.730 -13.671 -13.671 181 2HB GLN 25 1HB GLN 25 2.800 -12.601 -12.601 182 1HG GLN 25 2HG GLN 25 4.797 -11.373 -11.373 183 2HG GLN 25 1HG GLN 25 5.373 -12.081 -12.081 184 1HE2 GLN 25 2HE2 GLN 25 4.307 -8.393 -8.393 185 2HE2 GLN 25 1HE2 GLN 25 5.192 -9.051 -9.051 186 H ILE 26 H ILE 26 0.729 -11.471 -11.471 187 HA ILE 26 HA ILE 26 1.214 -8.761 -8.761 188 HB ILE 26 HB ILE 26 -1.200 -8.414 -8.414 189 1HG1 ILE 26 2HG1 ILE 26 -1.470 -11.475 -11.475 190 2HG1 ILE 26 1HG1 ILE 26 -2.147 -10.435 -10.435 191 1HG2 ILE 26 3HG2 ILE 26 0.627 -8.944 -8.944 192 2HG2 ILE 26 2HG2 ILE 26 0.320 -10.676 -10.676 193 3HG2 ILE 26 1HG2 ILE 26 -0.878 -9.663 -9.663 194 1HD1 ILE 26 1HD1 ILE 26 -2.799 -10.179 -10.179 195 2HD1 ILE 26 3HD1 ILE 26 -3.819 -10.907 -10.907 196 3HD1 ILE 26 2HD1 ILE 26 -3.438 -9.190 -9.190 197 H LYS 27 H LYS 27 -0.773 -10.568 -10.568 198 HA LYS 27 HA LYS 27 -1.854 -8.235 -8.235 199 1HB LYS 27 2HB LYS 27 -2.954 -10.243 -10.243 200 2HB LYS 27 1HB LYS 27 -1.533 -11.142 -11.142 201 1HG LYS 27 2HG LYS 27 -3.078 -10.558 -10.558 202 2HG LYS 27 1HG LYS 27 -1.421 -10.062 -10.062 203 1HD LYS 27 2HD LYS 27 -1.967 -7.696 -7.696 204 2HD LYS 27 1HD LYS 27 -3.548 -8.172 -8.172 205 1HE LYS 27 2HE LYS 27 -2.544 -8.663 -8.663 206 2HE LYS 27 1HE LYS 27 -3.458 -7.237 -7.237 207 1HZ LYS 27 1HZ LYS 27 -4.749 -9.370 -9.370 208 2HZ LYS 27 3HZ LYS 27 -4.482 -9.831 -9.831 209 3HZ LYS 27 2HZ LYS 27 -5.277 -8.344 -8.344 210 H ASN 28 H ASN 28 0.557 -10.505 -10.505 211 HA ASN 28 HA ASN 28 1.657 -9.309 -9.309 212 1HB ASN 28 2HB ASN 28 2.426 -11.502 -11.502 213 2HB ASN 28 1HB ASN 28 3.430 -10.426 -10.426 214 1HD2 ASN 28 2HD2 ASN 28 4.826 -11.426 -11.426 215 2HD2 ASN 28 1HD2 ASN 28 3.510 -12.253 -12.253 216 H GLN 29 H GLN 29 2.410 -8.567 -8.567 217 HA GLN 29 HA GLN 29 4.242 -6.442 -6.442 218 1HB GLN 29 2HB GLN 29 3.946 -7.781 -7.781 219 2HB GLN 29 1HB GLN 29 2.652 -6.671 -6.671 220 1HG GLN 29 2HG GLN 29 4.119 -5.065 -5.065 221 2HG GLN 29 1HG GLN 29 5.002 -5.137 -5.137 222 1HE2 GLN 29 2HE2 GLN 29 6.894 -6.561 -6.561 223 2HE2 GLN 29 1HE2 GLN 29 5.717 -5.345 -5.345 224 H LEU 30 H LEU 30 1.013 -6.398 -6.398 225 HA LEU 30 HA LEU 30 0.276 -3.794 -3.794 226 1HB LEU 30 2HB LEU 30 -1.126 -6.090 -6.090 227 2HB LEU 30 1HB LEU 30 -1.703 -5.644 -5.644 228 HG LEU 30 HG LEU 30 -3.231 -4.781 -4.781 229 1HD1 LEU 30 3HD1 LEU 30 -2.536 -2.938 -2.938 230 2HD1 LEU 30 2HD1 LEU 30 -1.340 -2.404 -2.404 231 3HD1 LEU 30 1HD1 LEU 30 -3.039 -2.367 -2.367 232 1HD2 LEU 30 3HD2 LEU 30 -0.850 -3.865 -3.865 233 2HD2 LEU 30 2HD2 LEU 30 -1.873 -5.226 -5.226 234 3HD2 LEU 30 1HD2 LEU 30 -2.527 -3.597 -3.597 235 H ALA 31 H ALA 31 0.289 -5.706 -5.706 236 HA ALA 31 HA ALA 31 -0.740 -3.893 -3.893 237 1HB ALA 31 2HB ALA 31 1.622 -5.732 -5.732 238 2HB ALA 31 1HB ALA 31 0.667 -5.011 -5.011 239 3HB ALA 31 3HB ALA 31 -0.078 -6.186 -6.186 240 H GLN 32 H GLN 32 2.691 -4.210 -4.210 241 HA GLN 32 HA GLN 32 3.595 -1.975 -1.975 242 1HB GLN 32 2HB GLN 32 4.604 -3.473 -3.473 243 2HB GLN 32 1HB GLN 32 5.406 -1.980 -1.980 244 1HG GLN 32 2HG GLN 32 6.378 -4.166 -4.166 245 2HG GLN 32 1HG GLN 32 6.109 -2.847 -2.847 246 1HE2 GLN 32 2HE2 GLN 32 4.098 -4.971 -4.971 247 2HE2 GLN 32 1HE2 GLN 32 5.264 -3.734 -3.734 248 H LEU 33 H LEU 33 1.894 -2.103 -2.103 249 HA LEU 33 HA LEU 33 2.461 0.704 0.704 250 1HB LEU 33 2HB LEU 33 0.086 -0.886 -0.886 251 2HB LEU 33 1HB LEU 33 1.021 0.343 0.343 252 HG LEU 33 HG LEU 33 1.989 -2.486 -2.486 253 1HD1 LEU 33 3HD1 LEU 33 0.414 -2.300 -2.300 254 2HD1 LEU 33 2HD1 LEU 33 1.450 -1.065 -1.065 255 3HD1 LEU 33 1HD1 LEU 33 2.046 -2.709 -2.709 256 1HD2 LEU 33 3HD2 LEU 33 3.900 -0.850 -0.850 257 2HD2 LEU 33 2HD2 LEU 33 4.004 -1.943 -1.943 258 3HD2 LEU 33 1HD2 LEU 33 3.496 -0.274 -0.274 259 H ASN 34 H ASN 34 -0.022 -1.201 -1.201 260 HA ASN 34 HA ASN 34 -2.009 0.821 0.821 261 1HB ASN 34 2HB ASN 34 -2.097 -1.740 -1.740 262 2HB ASN 34 1HB ASN 34 -1.241 -1.335 -1.335 263 1HD2 ASN 34 2HD2 ASN 34 -4.124 -0.214 -0.214 264 2HD2 ASN 34 1HD2 ASN 34 -2.496 -0.684 -0.684 265 H GLY 35 H GLY 35 0.593 -0.318 -0.318 266 1HA GLY 35 2HA GLY 35 0.631 1.467 1.467 267 2HA GLY 35 1HA GLY 35 2.123 0.853 0.853 268 H SER 36 H SER 36 2.042 1.964 1.964 269 HA SER 36 HA SER 36 2.812 4.704 4.704 270 1HB SER 36 2HB SER 36 3.609 4.751 4.751 271 2HB SER 36 1HB SER 36 4.039 3.241 3.241 272 HG SER 36 HG SER 36 1.578 3.073 3.073 273 H ALA 37 H ALA 37 0.060 3.207 3.207 274 HA ALA 37 HA ALA 37 -1.099 5.294 5.294 275 1HB ALA 37 3HB ALA 37 -2.141 2.955 2.955 276 2HB ALA 37 2HB ALA 37 -2.600 3.438 3.438 277 3HB ALA 37 1HB ALA 37 -3.198 4.329 4.329 278 H ASN 38 H ASN 38 -0.992 4.708 4.708 279 HA ASN 38 HA ASN 38 -2.433 7.258 7.258 280 1HB ASN 38 2HB ASN 38 -2.929 5.331 5.331 281 2HB ASN 38 1HB ASN 38 -1.234 5.132 5.132 282 1HD2 ASN 38 2HD2 ASN 38 -2.094 8.638 8.638 283 2HD2 ASN 38 1HD2 ASN 38 -1.708 8.538 8.538 284 H ALA 39 H ALA 39 0.688 5.760 5.760 285 HA ALA 39 HA ALA 39 1.837 8.201 8.201 286 1HB ALA 39 3HB ALA 39 3.198 5.664 5.664 287 2HB ALA 39 2HB ALA 39 4.038 6.868 6.868 288 3HB ALA 39 1HB ALA 39 2.762 5.895 5.895 289 H LEU 40 H LEU 40 2.579 6.605 6.605 290 HA LEU 40 HA LEU 40 4.232 8.701 8.701 291 1HB LEU 40 2HB LEU 40 4.282 6.626 6.626 292 2HB LEU 40 1HB LEU 40 2.544 6.538 6.538 293 HG LEU 40 HG LEU 40 4.048 7.093 7.093 294 1HD1 LEU 40 1HD1 LEU 40 1.487 8.653 8.653 295 2HD1 LEU 40 3HD1 LEU 40 2.209 8.404 8.404 296 3HD1 LEU 40 2HD1 LEU 40 1.658 7.028 7.028 297 1HD2 LEU 40 2HD2 LEU 40 3.722 9.821 9.821 298 2HD2 LEU 40 1HD2 LEU 40 5.250 9.069 9.069 299 3HD2 LEU 40 3HD2 LEU 40 4.141 9.512 9.512 300 H PHE 41 H PHE 41 0.700 8.050 8.050 301 HA PHE 41 HA PHE 41 -0.022 10.337 10.337 302 1HB PHE 41 2HB PHE 41 -1.712 8.838 8.838 303 2HB PHE 41 1HB PHE 41 -1.432 9.271 9.271 304 HD1 PHE 41 HD2 PHE 41 -1.537 11.748 11.748 305 HD2 PHE 41 HD1 PHE 41 -3.678 10.007 10.007 306 HE1 PHE 41 HE2 PHE 41 -3.271 13.441 13.441 307 HE2 PHE 41 HE1 PHE 41 -5.414 11.710 11.710 308 HZ PHE 41 HZ PHE 41 -5.167 13.451 13.451 309 H ILE 42 H ILE 42 0.213 10.353 10.353 310 HA ILE 42 HA ILE 42 -0.076 13.187 13.187 311 HB ILE 42 HB ILE 42 0.853 11.025 11.025 312 1HG1 ILE 42 2HG1 ILE 42 -0.984 12.017 12.017 313 2HG1 ILE 42 1HG1 ILE 42 -1.266 13.225 13.225 314 1HG2 ILE 42 2HG2 ILE 42 1.124 14.001 14.001 315 2HG2 ILE 42 1HG2 ILE 42 1.301 12.706 12.706 316 3HG2 ILE 42 3HG2 ILE 42 2.456 12.866 12.866 317 1HD1 ILE 42 1HD1 ILE 42 -1.734 11.331 11.331 318 2HD1 ILE 42 3HD1 ILE 42 -1.585 10.248 10.248 319 3HD1 ILE 42 2HD1 ILE 42 -2.874 11.418 11.418 320 H SER 43 H SER 43 2.768 11.255 11.255 321 HA SER 43 HA SER 43 4.590 13.461 13.461 322 1HB SER 43 2HB SER 43 5.108 11.061 11.061 323 2HB SER 43 1HB SER 43 5.210 10.620 10.620 324 HG SER 43 HG SER 43 6.657 12.725 12.725 325 H TYR 44 H TYR 44 2.788 12.323 12.323 326 HA TYR 44 HA TYR 44 4.637 13.096 13.096 327 1HB TYR 44 2HB TYR 44 3.518 11.345 11.345 328 2HB TYR 44 1HB TYR 44 2.144 11.397 11.397 329 HD1 TYR 44 HD2 TYR 44 3.605 12.631 12.631 330 HD2 TYR 44 HD1 TYR 44 0.153 12.702 12.702 331 HE1 TYR 44 HE2 TYR 44 2.510 13.644 13.644 332 HE2 TYR 44 HE1 TYR 44 -1.003 13.735 13.735 333 HH TYR 44 HH TYR 44 0.371 15.342 15.342 334 H TYR 45 H TYR 45 1.390 13.735 13.735 335 HA TYR 45 HA TYR 45 1.253 16.190 16.190 336 1HB TYR 45 2HB TYR 45 -1.029 16.396 16.396 337 2HB TYR 45 1HB TYR 45 -0.814 14.673 14.673 338 HD1 TYR 45 HD2 TYR 45 -0.386 17.693 17.693 339 HD2 TYR 45 HD1 TYR 45 -1.601 13.599 13.599 340 HE1 TYR 45 HE2 TYR 45 -1.084 17.776 17.776 341 HE2 TYR 45 HE1 TYR 45 -2.330 13.728 13.728 342 HH TYR 45 HH TYR 45 -1.485 15.334 15.334 343 H THR 46 H THR 46 2.082 15.419 15.419 344 HA THR 46 HA THR 46 1.787 17.907 17.907 345 HB THR 46 HB THR 46 4.162 17.488 17.488 346 HG1 THR 46 HG1 THR 46 5.193 15.901 15.901 347 1HG2 THR 46 1HG2 THR 46 1.840 15.584 15.584 348 2HG2 THR 46 3HG2 THR 46 3.240 15.676 15.676 349 3HG2 THR 46 2HG2 THR 46 2.178 17.057 17.057 350 H ALA 47 H ALA 47 4.452 17.056 17.056 351 HA ALA 47 HA ALA 47 5.795 19.536 19.536 352 1HB ALA 47 2HB ALA 47 5.465 17.781 17.781 353 2HB ALA 47 1HB ALA 47 6.647 19.058 19.058 354 3HB ALA 47 3HB ALA 47 6.741 17.637 17.637 355 H GLN 48 H GLN 48 2.970 18.733 18.733 356 HA GLN 48 HA GLN 48 2.750 20.783 20.783 357 1HB GLN 48 2HB GLN 48 0.462 19.960 19.960 358 2HB GLN 48 1HB GLN 48 0.283 20.763 20.763 359 1HG GLN 48 2HG GLN 48 0.538 17.923 17.923 360 2HG GLN 48 1HG GLN 48 0.109 18.677 18.677 361 1HE2 GLN 48 2HE2 GLN 48 3.828 17.257 17.257 362 2HE2 GLN 48 1HE2 GLN 48 2.779 16.919 16.919 363 H GLY 49 H GLY 49 1.843 21.092 21.092 364 1HA GLY 49 2HA GLY 49 2.226 23.026 23.026 365 2HA GLY 49 1HA GLY 49 2.233 24.022 24.022 366 H GLU 50 H GLU 50 0.607 24.640 24.640 367 HA GLU 50 HA GLU 50 -2.031 23.557 23.557 368 1HB GLU 50 2HB GLU 50 -2.696 26.049 26.049 369 2HB GLU 50 1HB GLU 50 -1.756 25.097 25.097 370 1HG GLU 50 2HG GLU 50 -0.300 26.827 26.827 371 2HG GLU 50 1HG GLU 50 -0.988 27.556 27.556 372 HA PRO 51 HA PRO 51 -4.182 24.456 24.456 373 1HB PRO 51 2HB PRO 51 -6.576 24.643 24.643 374 2HB PRO 51 1HB PRO 51 -5.568 26.095 26.095 375 1HG PRO 51 2HG PRO 51 -5.989 24.238 24.238 376 2HG PRO 51 1HG PRO 51 -6.033 26.006 26.006 377 1HD PRO 51 2HD PRO 51 -3.730 24.444 24.444 378 2HD PRO 51 1HD PRO 51 -3.670 26.145 26.145 379 H PHE 52 H PHE 52 -2.760 22.348 22.348 380 HA PHE 52 HA PHE 52 -4.722 20.224 20.224 381 1HB PHE 52 2HB PHE 52 -1.712 20.485 20.485 382 2HB PHE 52 1HB PHE 52 -2.417 18.878 18.878 383 HD1 PHE 52 HD2 PHE 52 -4.566 18.445 18.445 384 HD2 PHE 52 HD1 PHE 52 -1.764 21.525 21.525 385 HE1 PHE 52 HE2 PHE 52 -5.427 18.496 18.496 386 HE2 PHE 52 HE1 PHE 52 -2.646 21.566 21.566 387 HZ PHE 52 HZ PHE 52 -4.456 20.082 20.082 388 HA PRO 53 HA PRO 53 -2.578 18.386 18.386 389 1HB PRO 53 2HB PRO 53 -1.589 20.498 20.498 390 2HB PRO 53 1HB PRO 53 -0.606 19.345 19.345 391 1HG PRO 53 2HG PRO 53 -1.557 22.120 22.120 392 2HG PRO 53 1HG PRO 53 0.063 21.427 21.427 393 1HD PRO 53 2HD PRO 53 -1.469 21.362 21.362 394 2HD PRO 53 1HD PRO 53 -0.650 19.854 19.854 395 H ASN 54 H ASN 54 -4.437 21.108 21.108 396 HA ASN 54 HA ASN 54 -6.055 20.537 20.537 397 1HB ASN 54 2HB ASN 54 -6.866 22.841 22.841 398 2HB ASN 54 1HB ASN 54 -5.116 22.872 22.872 399 1HD2 ASN 54 2HD2 ASN 54 -6.506 25.204 25.204 400 2HD2 ASN 54 1HD2 ASN 54 -6.750 25.061 25.061 401 H ASN 55 H ASN 55 -6.305 20.981 20.981 402 HA ASN 55 HA ASN 55 -9.144 19.995 19.995 403 1HB ASN 55 2HB ASN 55 -7.837 21.676 21.676 404 2HB ASN 55 1HB ASN 55 -9.461 21.034 21.034 405 1HD2 ASN 55 2HD2 ASN 55 -8.745 24.300 24.300 406 2HD2 ASN 55 1HD2 ASN 55 -7.448 23.418 23.418 407 H LEU 56 H LEU 56 -6.481 18.602 18.602 408 HA LEU 56 HA LEU 56 -6.117 17.433 17.433 409 1HB LEU 56 2HB LEU 56 -4.836 15.740 15.740 410 2HB LEU 56 1HB LEU 56 -4.676 17.068 17.068 411 HG LEU 56 HG LEU 56 -6.745 15.980 15.980 412 1HD1 LEU 56 2HD1 LEU 56 -7.180 14.201 14.201 413 2HD1 LEU 56 1HD1 LEU 56 -5.556 13.664 13.664 414 3HD1 LEU 56 3HD1 LEU 56 -6.786 13.507 13.507 415 1HD2 LEU 56 1HD2 LEU 56 -4.394 16.046 16.046 416 2HD2 LEU 56 3HD2 LEU 56 -5.176 14.525 14.525 417 3HD2 LEU 56 2HD2 LEU 56 -4.070 14.596 14.596 418 H ASP 57 H ASP 57 -8.342 16.948 16.948 419 HA ASP 57 HA ASP 57 -9.479 14.605 14.605 420 1HB ASP 57 2HB ASP 57 -9.994 14.988 14.988 421 2HB ASP 57 1HB ASP 57 -10.511 16.636 16.636 422 H LYS 58 H LYS 58 -10.331 17.959 17.959 423 HA LYS 58 HA LYS 58 -12.666 17.329 17.329 424 1HB LYS 58 2HB LYS 58 -12.284 19.388 19.388 425 2HB LYS 58 1HB LYS 58 -11.304 20.053 20.053 426 1HG LYS 58 2HG LYS 58 -13.572 20.972 20.972 427 2HG LYS 58 1HG LYS 58 -13.288 19.944 19.944 428 1HD LYS 58 2HD LYS 58 -14.444 18.628 18.628 429 2HD LYS 58 1HD LYS 58 -15.504 19.753 19.753 430 1HE LYS 58 2HE LYS 58 -15.531 18.493 18.493 431 2HE LYS 58 1HE LYS 58 -14.132 17.531 17.531 432 1HZ LYS 58 3HZ LYS 58 -16.054 17.214 17.214 433 2HZ LYS 58 2HZ LYS 58 -16.819 16.936 16.936 434 3HZ LYS 58 1HZ LYS 58 -15.452 16.042 16.042 435 H LEU 59 H LEU 59 -9.377 17.977 17.977 436 HA LEU 59 HA LEU 59 -10.027 18.116 18.116 437 1HB LEU 59 2HB LEU 59 -7.405 18.881 18.881 438 2HB LEU 59 1HB LEU 59 -7.799 19.058 19.058 439 HG LEU 59 HG LEU 59 -8.394 21.188 21.188 440 1HD1 LEU 59 1HD1 LEU 59 -10.759 20.381 20.381 441 2HD1 LEU 59 3HD1 LEU 59 -10.509 20.272 20.272 442 3HD1 LEU 59 2HD1 LEU 59 -10.437 21.823 21.823 443 1HD2 LEU 59 1HD2 LEU 59 -8.151 20.482 20.482 444 2HD2 LEU 59 3HD2 LEU 59 -6.868 21.102 21.102 445 3HD2 LEU 59 2HD2 LEU 59 -8.227 22.135 22.135 446 H CYS 60 H CYS 60 -7.926 16.480 16.480 447 HA CYS 60 HA CYS 60 -6.915 14.648 14.648 448 1HB CYS 60 2HB CYS 60 -5.861 15.130 15.130 449 2HB CYS 60 1HB CYS 60 -5.230 14.079 14.079 450 H GLY 61 H GLY 61 -9.546 14.402 14.402 451 1HA GLY 61 2HA GLY 61 -9.154 11.929 11.929 452 2HA GLY 61 1HA GLY 61 -10.486 13.044 13.044 453 HA PRO 62 HA PRO 62 -12.902 10.765 10.765 454 1HB PRO 62 2HB PRO 62 -14.321 12.502 12.502 455 2HB PRO 62 1HB PRO 62 -14.516 12.445 12.445 456 1HG PRO 62 2HG PRO 62 -12.740 14.348 14.348 457 2HG PRO 62 1HG PRO 62 -13.889 14.756 14.756 458 1HD PRO 62 2HD PRO 62 -11.241 14.501 14.501 459 2HD PRO 62 1HD PRO 62 -12.419 14.023 14.023 460 H ASN 63 H ASN 63 -13.652 10.366 10.366 461 HA ASN 63 HA ASN 63 -11.279 10.214 10.214 462 1HB ASN 63 2HB ASN 63 -12.613 8.523 8.523 463 2HB ASN 63 1HB ASN 63 -12.502 8.062 8.062 464 1HD2 ASN 63 2HD2 ASN 63 -16.087 8.370 8.370 465 2HD2 ASN 63 1HD2 ASN 63 -14.664 8.104 8.104 466 H VAL 64 H VAL 64 -11.305 12.141 12.141 467 HA VAL 64 HA VAL 64 -13.690 13.276 13.276 468 HB VAL 64 HB VAL 64 -11.091 14.702 14.702 469 1HG1 VAL 64 3HG1 VAL 64 -13.824 15.818 15.818 470 2HG1 VAL 64 2HG1 VAL 64 -12.442 16.780 16.780 471 3HG1 VAL 64 1HG1 VAL 64 -12.375 15.877 15.877 472 1HG2 VAL 64 1HG2 VAL 64 -13.695 14.598 14.598 473 2HG2 VAL 64 3HG2 VAL 64 -12.160 13.895 13.895 474 3HG2 VAL 64 2HG2 VAL 64 -12.327 15.635 15.635 475 H THR 65 H THR 65 -11.162 11.435 11.435 476 HA THR 65 HA THR 65 -10.675 12.487 12.487 477 HB THR 65 HB THR 65 -8.649 12.600 12.600 478 HG1 THR 65 HG1 THR 65 -8.608 11.486 11.486 479 1HG2 THR 65 2HG2 THR 65 -8.911 9.559 9.559 480 2HG2 THR 65 1HG2 THR 65 -7.602 10.542 10.542 481 3HG2 THR 65 3HG2 THR 65 -9.197 10.673 10.673 482 H ASP 66 H ASP 66 -9.383 9.690 9.690 483 HA ASP 66 HA ASP 66 -11.979 8.364 8.364 484 1HB ASP 66 2HB ASP 66 -10.771 7.207 7.207 485 2HB ASP 66 1HB ASP 66 -10.299 8.900 8.900 486 H PHE 67 H PHE 67 -10.760 8.118 8.118 487 HA PHE 67 HA PHE 67 -9.558 5.504 5.504 488 1HB PHE 67 2HB PHE 67 -9.959 7.424 7.424 489 2HB PHE 67 1HB PHE 67 -11.139 6.189 6.189 490 HD1 PHE 67 HD2 PHE 67 -10.195 3.651 3.651 491 HD2 PHE 67 HD1 PHE 67 -7.798 7.187 7.187 492 HE1 PHE 67 HE2 PHE 67 -8.326 2.387 2.387 493 HE2 PHE 67 HE1 PHE 67 -5.946 5.904 5.904 494 HZ PHE 67 HZ PHE 67 -6.208 3.517 3.517 495 HA PRO 68 HA PRO 68 -13.555 3.476 3.476 496 1HB PRO 68 2HB PRO 68 -12.733 0.881 0.881 497 2HB PRO 68 1HB PRO 68 -12.403 1.970 1.970 498 1HG PRO 68 2HG PRO 68 -10.549 1.316 1.316 499 2HG PRO 68 1HG PRO 68 -10.186 1.234 1.234 500 1HD PRO 68 2HD PRO 68 -9.504 3.442 3.442 501 2HD PRO 68 1HD PRO 68 -10.041 3.604 3.604 502 HA PRO 69 HA PRO 69 -14.156 2.553 2.553 503 1HB PRO 69 2HB PRO 69 -16.758 1.922 1.922 504 2HB PRO 69 1HB PRO 69 -16.274 3.521 3.521 505 1HG PRO 69 2HG PRO 69 -16.866 0.992 0.992 506 2HG PRO 69 1HG PRO 69 -17.559 2.601 2.601 507 1HD PRO 69 2HD PRO 69 -15.328 1.754 1.754 508 2HD PRO 69 1HD PRO 69 -15.564 3.466 3.466 509 H PHE 70 H PHE 70 -12.645 0.728 0.728 510 HA PHE 70 HA PHE 70 -12.627 -1.730 -1.730 511 1HB PHE 70 2HB PHE 70 -10.870 -0.683 -0.683 512 2HB PHE 70 1HB PHE 70 -11.847 -1.286 -1.286 513 HD1 PHE 70 HD1 PHE 70 -12.184 -3.799 -3.799 514 HD2 PHE 70 HD2 PHE 70 -9.460 -2.230 -2.230 515 HE1 PHE 70 HE1 PHE 70 -11.175 -6.016 -6.016 516 HE2 PHE 70 HE2 PHE 70 -8.504 -4.443 -4.443 517 HZ PHE 70 HZ PHE 70 -9.324 -6.311 -6.311 518 H HIS 71 H HIS 71 -14.327 -3.165 -3.165 519 HA HIS 71 HA HIS 71 -15.700 -3.933 -3.933 520 1HB HIS 71 2HB HIS 71 -16.914 -2.583 -2.583 521 2HB HIS 71 1HB HIS 71 -17.743 -4.076 -4.076 522 HD1 HIS 71 HD1 HIS 71 -16.286 -1.362 -1.362 523 HD2 HIS 71 HD2 HIS 71 -19.765 -3.472 -3.472 524 HE1 HIS 71 HE1 HIS 71 -17.812 -0.550 -0.550 525 H ALA 72 H ALA 72 -14.541 -5.754 -5.754 526 HA ALA 72 HA ALA 72 -13.742 -7.662 -7.662 527 1HB ALA 72 3HB ALA 72 -15.579 -8.177 -8.177 528 2HB ALA 72 2HB ALA 72 -14.499 -9.362 -9.362 529 3HB ALA 72 1HB ALA 72 -13.828 -7.948 -7.948 530 H ASN 73 H ASN 73 -14.778 -7.541 -7.541 531 HA ASN 73 HA ASN 73 -17.639 -8.239 -8.239 532 1HB ASN 73 2HB ASN 73 -16.344 -6.242 -6.242 533 2HB ASN 73 1HB ASN 73 -16.113 -7.479 -7.479 534 1HD2 ASN 73 2HD2 ASN 73 -19.672 -5.717 -5.717 535 2HD2 ASN 73 1HD2 ASN 73 -18.291 -5.127 -5.127 536 H GLY 74 H GLY 74 -16.203 -10.114 -10.114 537 1HA GLY 74 2HA GLY 74 -16.985 -12.321 -12.321 538 2HA GLY 74 1HA GLY 74 -15.614 -11.812 -11.812 539 H THR 75 H THR 75 -13.421 -11.835 -11.835 540 HA THR 75 HA THR 75 -13.130 -12.993 -12.993 541 HB THR 75 HB THR 75 -14.163 -15.045 -15.045 542 HG1 THR 75 HG1 THR 75 -11.749 -16.073 -16.073 543 1HG2 THR 75 1HG2 THR 75 -12.905 -14.572 -14.572 544 2HG2 THR 75 3HG2 THR 75 -11.413 -15.005 -15.005 545 3HG2 THR 75 2HG2 THR 75 -12.666 -16.207 -16.207 546 H GLU 76 H GLU 76 -10.811 -14.342 -14.342 547 HA GLU 76 HA GLU 76 -8.794 -12.478 -12.478 548 1HB GLU 76 2HB GLU 76 -8.374 -14.772 -14.772 549 2HB GLU 76 1HB GLU 76 -7.173 -13.878 -13.878 550 1HG GLU 76 2HG GLU 76 -7.464 -16.108 -16.108 551 2HG GLU 76 1HG GLU 76 -8.098 -14.857 -14.857 552 H LYS 77 H LYS 77 -10.156 -13.786 -13.786 553 HA LYS 77 HA LYS 77 -8.751 -12.206 -12.206 554 1HB LYS 77 2HB LYS 77 -10.521 -14.007 -14.007 555 2HB LYS 77 1HB LYS 77 -11.738 -12.792 -12.792 556 1HG LYS 77 2HG LYS 77 -10.462 -11.280 -11.280 557 2HG LYS 77 1HG LYS 77 -9.609 -12.739 -12.739 558 1HD LYS 77 2HD LYS 77 -11.798 -13.847 -13.847 559 2HD LYS 77 1HD LYS 77 -12.626 -12.378 -12.378 560 1HE LYS 77 2HE LYS 77 -11.510 -11.082 -11.082 561 2HE LYS 77 1HE LYS 77 -10.630 -12.502 -12.502 562 1HZ LYS 77 1HZ LYS 77 -13.402 -13.099 -13.099 563 2HZ LYS 77 3HZ LYS 77 -13.187 -11.698 -11.698 564 3HZ LYS 77 2HZ LYS 77 -12.373 -13.121 -13.121 565 H ALA 78 H ALA 78 -11.769 -11.322 -11.322 566 HA ALA 78 HA ALA 78 -11.627 -8.688 -8.688 567 1HB ALA 78 1HB ALA 78 -13.840 -9.698 -9.698 568 2HB ALA 78 3HB ALA 78 -13.445 -9.659 -9.659 569 3HB ALA 78 2HB ALA 78 -13.623 -8.165 -8.165 570 H LYS 79 H LYS 79 -10.837 -10.021 -10.021 571 HA LYS 79 HA LYS 79 -10.446 -7.532 -7.532 572 1HB LYS 79 2HB LYS 79 -8.964 -10.114 -10.114 573 2HB LYS 79 1HB LYS 79 -9.483 -8.852 -8.852 574 1HG LYS 79 2HG LYS 79 -11.864 -9.836 -9.836 575 2HG LYS 79 1HG LYS 79 -10.941 -11.204 -11.204 576 1HD LYS 79 2HD LYS 79 -11.903 -8.966 -8.966 577 2HD LYS 79 1HD LYS 79 -12.773 -10.456 -10.456 578 1HE LYS 79 2HE LYS 79 -10.892 -11.840 -11.840 579 2HE LYS 79 1HE LYS 79 -9.955 -10.414 -10.414 580 1HZ LYS 79 3HZ LYS 79 -12.491 -10.228 -10.228 581 2HZ LYS 79 2HZ LYS 79 -11.776 -11.732 -11.732 582 3HZ LYS 79 1HZ LYS 79 -10.912 -10.360 -10.360 583 H LEU 80 H LEU 80 -8.276 -9.702 -9.702 584 HA LEU 80 HA LEU 80 -5.907 -8.058 -8.058 585 1HB LEU 80 2HB LEU 80 -6.591 -10.620 -10.620 586 2HB LEU 80 1HB LEU 80 -5.103 -9.811 -9.811 587 HG LEU 80 HG LEU 80 -4.408 -10.053 -10.053 588 1HD1 LEU 80 2HD1 LEU 80 -7.013 -11.502 -11.502 589 2HD1 LEU 80 1HD1 LEU 80 -5.700 -11.377 -11.377 590 3HD1 LEU 80 3HD1 LEU 80 -6.568 -9.942 -9.942 591 1HD2 LEU 80 1HD2 LEU 80 -5.387 -12.694 -12.694 592 2HD2 LEU 80 3HD2 LEU 80 -3.861 -11.900 -11.900 593 3HD2 LEU 80 2HD2 LEU 80 -4.151 -12.536 -12.536 594 H VAL 81 H VAL 81 -7.999 -8.930 -8.930 595 HA VAL 81 HA VAL 81 -6.657 -7.114 -7.114 596 HB VAL 81 HB VAL 81 -9.643 -7.919 -7.919 597 1HG1 VAL 81 3HG1 VAL 81 -8.227 -6.357 -6.357 598 2HG1 VAL 81 2HG1 VAL 81 -9.836 -7.049 -7.049 599 3HG1 VAL 81 1HG1 VAL 81 -9.557 -5.799 -5.799 600 1HG2 VAL 81 3HG2 VAL 81 -8.055 -9.787 -9.787 601 2HG2 VAL 81 2HG2 VAL 81 -9.161 -9.351 -9.351 602 3HG2 VAL 81 1HG2 VAL 81 -7.512 -8.766 -8.766 603 H GLU 82 H GLU 82 -9.487 -6.442 -6.442 604 HA GLU 82 HA GLU 82 -9.652 -3.757 -3.757 605 1HB GLU 82 2HB GLU 82 -11.396 -5.028 -5.028 606 2HB GLU 82 1HB GLU 82 -10.389 -4.906 -4.906 607 1HG GLU 82 2HG GLU 82 -10.607 -2.486 -2.486 608 2HG GLU 82 1HG GLU 82 -11.395 -2.491 -2.491 609 H LEU 83 H LEU 83 -7.905 -5.255 -5.255 610 HA LEU 83 HA LEU 83 -6.763 -2.999 -2.999 611 1HB LEU 83 2HB LEU 83 -6.286 -5.274 -5.274 612 2HB LEU 83 1HB LEU 83 -5.475 -5.732 -5.732 613 HG LEU 83 HG LEU 83 -3.846 -3.735 -3.735 614 1HD1 LEU 83 2HD1 LEU 83 -5.275 -2.673 -2.673 615 2HD1 LEU 83 1HD1 LEU 83 -5.066 -4.087 -4.087 616 3HD1 LEU 83 3HD1 LEU 83 -3.689 -3.068 -3.068 617 1HD2 LEU 83 3HD2 LEU 83 -3.852 -6.192 -6.192 618 2HD2 LEU 83 2HD2 LEU 83 -3.182 -6.026 -6.026 619 3HD2 LEU 83 1HD2 LEU 83 -2.494 -5.111 -5.111 620 H TYR 84 H TYR 84 -5.236 -5.042 -5.042 621 HA TYR 84 HA TYR 84 -3.195 -3.672 -3.672 622 1HB TYR 84 2HB TYR 84 -4.054 -5.904 -5.904 623 2HB TYR 84 1HB TYR 84 -5.166 -5.176 -5.176 624 HD1 TYR 84 HD1 TYR 84 -3.927 -3.222 -3.222 625 HD2 TYR 84 HD2 TYR 84 -2.079 -6.590 -6.590 626 HE1 TYR 84 HE1 TYR 84 -2.237 -3.006 -3.006 627 HE2 TYR 84 HE2 TYR 84 -0.375 -6.458 -6.458 628 HH TYR 84 HH TYR 84 -0.354 -4.399 -4.399 629 H ARG 85 H ARG 85 -5.923 -3.617 -3.617 630 HA ARG 85 HA ARG 85 -5.735 -1.576 -1.576 631 1HB ARG 85 2HB ARG 85 -7.721 -3.038 -3.038 632 2HB ARG 85 1HB ARG 85 -8.169 -2.151 -2.151 633 1HG ARG 85 2HG ARG 85 -8.323 -0.086 -0.086 634 2HG ARG 85 1HG ARG 85 -8.133 -1.252 -1.252 635 1HD ARG 85 2HD ARG 85 -10.115 -2.554 -2.554 636 2HD ARG 85 1HD ARG 85 -10.467 -1.107 -1.107 637 HE ARG 85 HE ARG 85 -10.550 -1.509 -1.509 638 1HH1 ARG 85 2HH1 ARG 85 -11.037 0.668 0.668 639 2HH1 ARG 85 1HH1 ARG 85 -11.871 1.844 1.844 640 1HH2 ARG 85 1HH2 ARG 85 -11.643 -0.195 -0.195 641 2HH2 ARG 85 2HH2 ARG 85 -12.257 1.317 1.317 642 H MET 86 H MET 86 -6.892 -1.243 -1.243 643 HA MET 86 HA MET 86 -6.981 1.614 1.614 644 1HB MET 86 2HB MET 86 -8.487 0.363 0.363 645 2HB MET 86 1HB MET 86 -7.210 -0.633 -0.633 646 1HG MET 86 2HG MET 86 -7.407 2.301 2.301 647 2HG MET 86 1HG MET 86 -8.210 1.065 1.065 648 1HE MET 86 2HE MET 86 -7.247 -0.713 -0.713 649 2HE MET 86 1HE MET 86 -5.749 -0.595 -0.595 650 3HE MET 86 3HE MET 86 -7.032 0.557 0.557 651 H VAL 87 H VAL 87 -4.466 -0.635 -0.635 652 HA VAL 87 HA VAL 87 -2.890 1.276 1.276 653 HB VAL 87 HB VAL 87 -2.768 -1.539 -1.539 654 1HG1 VAL 87 3HG1 VAL 87 -0.352 -0.069 -0.069 655 2HG1 VAL 87 2HG1 VAL 87 -0.457 -1.813 -1.813 656 3HG1 VAL 87 1HG1 VAL 87 -0.370 -0.817 -0.817 657 1HG2 VAL 87 2HG2 VAL 87 -2.644 -0.226 -0.226 658 2HG2 VAL 87 1HG2 VAL 87 -3.977 -1.101 -1.101 659 3HG2 VAL 87 3HG2 VAL 87 -2.511 -1.959 -1.959 660 H ALA 88 H ALA 88 -3.261 0.038 0.038 661 HA ALA 88 HA ALA 88 -0.657 0.725 0.725 662 1HB ALA 88 1HB ALA 88 -3.362 -0.022 -0.022 663 2HB ALA 88 3HB ALA 88 -1.801 -0.017 -0.017 664 3HB ALA 88 2HB ALA 88 -2.092 -1.106 -1.106 665 H TYR 89 H TYR 89 -3.943 2.322 2.322 666 HA TYR 89 HA TYR 89 -2.592 4.651 4.651 667 1HB TYR 89 2HB TYR 89 -4.730 5.714 5.714 668 2HB TYR 89 1HB TYR 89 -5.231 4.041 4.041 669 HD1 TYR 89 HD1 TYR 89 -5.786 2.971 2.971 670 HD2 TYR 89 HD2 TYR 89 -5.367 7.206 7.206 671 HE1 TYR 89 HE1 TYR 89 -6.939 3.371 3.371 672 HE2 TYR 89 HE2 TYR 89 -6.511 7.515 7.515 673 HH TYR 89 HH TYR 89 -6.973 6.329 6.329 674 H LEU 90 H LEU 90 -3.695 3.749 3.749 675 HA LEU 90 HA LEU 90 -3.152 6.158 6.158 676 1HB LEU 90 2HB LEU 90 -4.310 4.312 4.312 677 2HB LEU 90 1HB LEU 90 -2.972 3.235 3.235 678 HG LEU 90 HG LEU 90 -3.427 3.947 3.947 679 1HD1 LEU 90 3HD1 LEU 90 -1.239 2.994 2.994 680 2HD1 LEU 90 2HD1 LEU 90 -0.571 4.564 4.564 681 3HD1 LEU 90 1HD1 LEU 90 -1.056 4.251 4.251 682 1HD2 LEU 90 3HD2 LEU 90 -2.359 6.615 6.615 683 2HD2 LEU 90 2HD2 LEU 90 -3.974 6.239 6.239 684 3HD2 LEU 90 1HD2 LEU 90 -2.602 6.124 6.124 685 H SER 91 H SER 91 -1.148 3.329 3.329 686 HA SER 91 HA SER 91 1.287 4.200 4.200 687 1HB SER 91 2HB SER 91 2.499 2.744 2.744 688 2HB SER 91 1HB SER 91 1.135 1.912 1.912 689 HG SER 91 HG SER 91 -0.131 2.598 2.598 690 H ALA 92 H ALA 92 0.450 4.544 4.544 691 HA ALA 92 HA ALA 92 2.535 6.163 6.163 692 1HB ALA 92 3HB ALA 92 -0.425 6.324 6.324 693 2HB ALA 92 2HB ALA 92 0.903 6.956 6.956 694 3HB ALA 92 1HB ALA 92 0.753 5.224 5.224 695 H SER 93 H SER 93 -0.606 7.329 7.329 696 HA SER 93 HA SER 93 -0.130 10.078 10.078 697 1HB SER 93 2HB SER 93 -1.730 8.464 8.464 698 2HB SER 93 1HB SER 93 -2.007 10.161 10.161 699 HG SER 93 HG SER 93 -2.578 7.840 7.840 700 H LEU 94 H LEU 94 0.635 7.730 7.730 701 HA LEU 94 HA LEU 94 1.673 9.379 9.379 702 1HB LEU 94 2HB LEU 94 1.361 6.556 6.556 703 2HB LEU 94 1HB LEU 94 2.998 6.788 6.788 704 HG LEU 94 HG LEU 94 1.943 8.115 8.115 705 1HD1 LEU 94 3HD1 LEU 94 -0.346 8.194 8.194 706 2HD1 LEU 94 2HD1 LEU 94 -0.405 6.445 6.445 707 3HD1 LEU 94 1HD1 LEU 94 -0.338 7.325 7.325 708 1HD2 LEU 94 1HD2 LEU 94 1.692 5.070 5.070 709 2HD2 LEU 94 3HD2 LEU 94 3.142 5.944 5.944 710 3HD2 LEU 94 2HD2 LEU 94 1.728 5.955 5.955 711 H THR 95 H THR 95 3.233 7.691 7.691 712 HA THR 95 HA THR 95 5.918 8.456 8.456 713 HB THR 95 HB THR 95 4.498 7.577 7.577 714 HG1 THR 95 HG1 THR 95 6.355 6.619 6.619 715 1HG2 THR 95 2HG2 THR 95 7.453 8.483 8.483 716 2HG2 THR 95 1HG2 THR 95 6.750 7.748 7.748 717 3HG2 THR 95 3HG2 THR 95 6.263 9.352 9.352 718 H ASN 96 H ASN 96 3.748 9.987 9.987 719 HA ASN 96 HA ASN 96 5.205 12.174 12.174 720 1HB ASN 96 2HB ASN 96 2.227 12.015 12.015 721 2HB ASN 96 1HB ASN 96 2.958 13.312 13.312 722 1HD2 ASN 96 2HD2 ASN 96 2.617 11.225 11.225 723 2HD2 ASN 96 1HD2 ASN 96 2.355 12.780 12.780 724 H ILE 97 H ILE 97 3.096 12.129 12.129 725 HA ILE 97 HA ILE 97 3.935 14.765 14.765 726 HB ILE 97 HB ILE 97 1.841 13.717 13.717 727 1HG1 ILE 97 2HG1 ILE 97 1.778 14.321 14.321 728 2HG1 ILE 97 1HG1 ILE 97 3.538 14.262 14.262 729 1HG2 ILE 97 1HG2 ILE 97 3.452 11.763 11.763 730 2HG2 ILE 97 3HG2 ILE 97 1.713 11.989 11.989 731 3HG2 ILE 97 2HG2 ILE 97 2.452 11.431 11.431 732 1HD1 ILE 97 2HD1 ILE 97 1.925 16.216 16.216 733 2HD1 ILE 97 1HD1 ILE 97 2.672 16.588 16.588 734 3HD1 ILE 97 3HD1 ILE 97 3.665 16.168 16.168 735 H THR 98 H THR 98 5.291 11.596 11.596 736 HA THR 98 HA THR 98 7.041 12.130 12.130 737 HB THR 98 HB THR 98 6.563 9.884 9.884 738 HG1 THR 98 HG1 THR 98 7.378 9.375 9.375 739 1HG2 THR 98 3HG2 THR 98 9.511 10.625 10.625 740 2HG2 THR 98 2HG2 THR 98 8.715 9.132 9.132 741 3HG2 THR 98 1HG2 THR 98 8.328 10.641 10.641 742 H ARG 99 H ARG 99 7.602 12.663 12.663 743 HA ARG 99 HA ARG 99 10.184 13.906 13.906 744 1HB ARG 99 2HB ARG 99 10.061 14.738 14.738 745 2HB ARG 99 1HB ARG 99 9.900 13.012 13.012 746 1HG ARG 99 2HG ARG 99 7.460 13.159 13.159 747 2HG ARG 99 1HG ARG 99 7.536 14.907 14.907 748 1HD ARG 99 2HD ARG 99 9.182 13.103 13.103 749 2HD ARG 99 1HD ARG 99 7.535 13.623 13.623 750 HE ARG 99 HE ARG 99 9.419 15.778 15.778 751 1HH1 ARG 99 2HH1 ARG 99 7.920 13.950 13.950 752 2HH1 ARG 99 1HH1 ARG 99 8.187 15.110 15.110 753 1HH2 ARG 99 1HH2 ARG 99 9.785 17.349 17.349 754 2HH2 ARG 99 2HH2 ARG 99 9.242 17.124 17.124 755 H ASP 100 H ASP 100 6.984 15.196 15.196 756 HA ASP 100 HA ASP 100 7.417 17.915 17.915 757 1HB ASP 100 2HB ASP 100 5.199 17.026 17.026 758 2HB ASP 100 1HB ASP 100 5.174 16.339 16.339 759 H GLN 101 H GLN 101 7.068 15.940 15.940 760 HA GLN 101 HA GLN 101 7.262 18.283 18.283 761 1HB GLN 101 2HB GLN 101 7.668 15.346 15.346 762 2HB GLN 101 1HB GLN 101 7.095 16.679 16.679 763 1HG GLN 101 2HG GLN 101 5.392 16.185 16.185 764 2HG GLN 101 1HG GLN 101 5.362 14.995 14.995 765 1HE2 GLN 101 2HE2 GLN 101 4.330 18.746 18.746 766 2HE2 GLN 101 1HE2 GLN 101 5.766 18.598 18.598 767 H LYS 102 H LYS 102 9.364 15.712 15.712 768 HA LYS 102 HA LYS 102 11.622 16.353 16.353 769 1HB LYS 102 2HB LYS 102 11.277 14.403 14.403 770 2HB LYS 102 1HB LYS 102 11.565 15.566 15.566 771 1HG LYS 102 2HG LYS 102 13.847 16.052 16.052 772 2HG LYS 102 1HG LYS 102 13.599 14.610 14.610 773 1HD LYS 102 2HD LYS 102 13.119 13.340 13.340 774 2HD LYS 102 1HD LYS 102 13.569 14.809 14.809 775 1HE LYS 102 2HE LYS 102 15.806 14.709 14.709 776 2HE LYS 102 1HE LYS 102 15.328 13.075 13.075 777 1HZ LYS 102 3HZ LYS 102 14.882 13.363 13.363 778 2HZ LYS 102 2HZ LYS 102 16.451 13.937 13.937 779 3HZ LYS 102 1HZ LYS 102 16.032 12.360 12.360 780 H VAL 103 H VAL 103 10.366 17.732 17.732 781 HA VAL 103 HA VAL 103 12.594 19.679 19.679 782 HB VAL 103 HB VAL 103 10.069 19.290 19.290 783 1HG1 VAL 103 3HG1 VAL 103 12.617 20.856 20.856 784 2HG1 VAL 103 2HG1 VAL 103 11.273 20.588 20.588 785 3HG1 VAL 103 1HG1 VAL 103 11.048 21.563 21.563 786 1HG2 VAL 103 2HG2 VAL 103 12.939 18.328 18.328 787 2HG2 VAL 103 1HG2 VAL 103 11.581 17.303 17.303 788 3HG2 VAL 103 3HG2 VAL 103 11.607 18.114 18.114 789 H LEU 104 H LEU 104 9.297 19.778 19.778 790 HA LEU 104 HA LEU 104 9.429 22.752 22.752 791 1HB LEU 104 2HB LEU 104 7.220 20.732 20.732 792 2HB LEU 104 1HB LEU 104 7.063 22.258 22.258 793 HG LEU 104 HG LEU 104 5.929 22.191 22.191 794 1HD1 LEU 104 2HD1 LEU 104 6.666 24.367 24.367 795 2HD1 LEU 104 1HD1 LEU 104 8.233 24.208 24.208 796 3HD1 LEU 104 3HD1 LEU 104 6.791 24.383 24.383 797 1HD2 LEU 104 3HD2 LEU 104 8.746 21.955 21.955 798 2HD2 LEU 104 2HD2 LEU 104 7.461 20.753 20.753 799 3HD2 LEU 104 1HD2 LEU 104 7.292 22.275 22.275 800 H ASN 105 H ASN 105 9.579 20.097 20.097 801 HA ASN 105 HA ASN 105 10.009 21.946 21.946 802 1HB ASN 105 2HB ASN 105 8.406 19.465 19.465 803 2HB ASN 105 1HB ASN 105 8.978 19.998 19.998 804 1HD2 ASN 105 2HD2 ASN 105 6.824 22.801 22.801 805 2HD2 ASN 105 1HD2 ASN 105 8.134 22.059 22.059 806 HA PRO 106 HA PRO 106 13.996 20.006 20.006 807 1HB PRO 106 2HB PRO 106 15.062 21.291 21.291 808 2HB PRO 106 1HB PRO 106 14.831 22.104 22.104 809 1HG PRO 106 2HG PRO 106 12.865 22.035 22.035 810 2HG PRO 106 1HG PRO 106 13.511 23.479 23.479 811 1HD PRO 106 2HD PRO 106 11.156 22.600 22.600 812 2HD PRO 106 1HD PRO 106 12.316 22.986 22.986 813 H SER 107 H SER 107 11.723 19.766 19.766 814 HA SER 107 HA SER 107 13.195 17.636 17.636 815 1HB SER 107 2HB SER 107 10.385 18.526 18.526 816 2HB SER 107 1HB SER 107 11.762 18.182 18.182 817 HG SER 107 HG SER 107 12.199 20.258 20.258 818 H ALA 108 H ALA 108 10.425 18.320 18.320 819 HA ALA 108 HA ALA 108 8.986 15.942 15.942 820 1HB ALA 108 3HB ALA 108 9.557 17.550 17.550 821 2HB ALA 108 2HB ALA 108 8.395 16.250 16.250 822 3HB ALA 108 1HB ALA 108 8.195 17.751 17.751 823 H VAL 109 H VAL 109 11.871 16.827 16.827 824 HA VAL 109 HA VAL 109 12.362 14.758 14.758 825 HB VAL 109 HB VAL 109 14.793 14.975 14.975 826 1HG1 VAL 109 2HG1 VAL 109 13.398 17.651 17.651 827 2HG1 VAL 109 1HG1 VAL 109 15.072 17.463 17.463 828 3HG1 VAL 109 3HG1 VAL 109 13.801 16.950 16.950 829 1HG2 VAL 109 1HG2 VAL 109 14.041 16.225 16.225 830 2HG2 VAL 109 3HG2 VAL 109 14.865 14.687 14.687 831 3HG2 VAL 109 2HG2 VAL 109 15.660 16.179 16.179 832 H SER 110 H SER 110 12.621 14.591 14.591 833 HA SER 110 HA SER 110 13.434 11.774 11.774 834 1HB SER 110 2HB SER 110 14.078 13.455 13.455 835 2HB SER 110 1HB SER 110 12.372 13.696 13.696 836 HG SER 110 HG SER 110 12.554 11.964 11.964 837 H LEU 111 H LEU 111 10.439 13.609 13.609 838 HA LEU 111 HA LEU 111 8.843 11.290 11.290 839 1HB LEU 111 2HB LEU 111 6.887 12.583 12.583 840 2HB LEU 111 1HB LEU 111 8.053 13.836 13.836 841 HG LEU 111 HG LEU 111 8.159 14.026 14.026 842 1HD1 LEU 111 2HD1 LEU 111 6.842 11.899 11.899 843 2HD1 LEU 111 1HD1 LEU 111 5.481 12.606 12.606 844 3HD1 LEU 111 3HD1 LEU 111 6.132 13.358 13.358 845 1HD2 LEU 111 1HD2 LEU 111 5.668 14.762 14.762 846 2HD2 LEU 111 3HD2 LEU 111 7.086 15.736 15.736 847 3HD2 LEU 111 2HD2 LEU 111 6.186 15.473 15.473 848 H HIS 112 H HIS 112 9.377 12.737 12.737 849 HA HIS 112 HA HIS 112 8.058 10.928 10.928 850 1HB HIS 112 2HB HIS 112 8.747 12.645 12.645 851 2HB HIS 112 1HB HIS 112 9.965 13.165 13.165 852 HD1 HIS 112 HD1 HIS 112 9.772 10.128 10.128 853 HD2 HIS 112 HD2 HIS 112 12.191 13.262 13.262 854 HE1 HIS 112 HE1 HIS 112 11.932 9.750 9.750 855 H SER 113 H SER 113 11.333 10.698 10.698 856 HA SER 113 HA SER 113 12.227 8.398 8.398 857 1HB SER 113 2HB SER 113 12.676 8.833 8.833 858 2HB SER 113 1HB SER 113 13.718 7.961 7.961 859 HG SER 113 HG SER 113 13.167 10.579 10.579 860 H LYS 114 H LYS 114 10.206 8.678 8.678 861 HA LYS 114 HA LYS 114 9.820 5.805 5.805 862 1HB LYS 114 2HB LYS 114 8.244 8.243 8.243 863 2HB LYS 114 1HB LYS 114 7.579 6.639 6.639 864 1HG LYS 114 2HG LYS 114 8.787 7.111 7.111 865 2HG LYS 114 1HG LYS 114 9.688 5.893 5.893 866 1HD LYS 114 2HD LYS 114 11.137 7.899 7.899 867 2HD LYS 114 1HD LYS 114 10.402 8.852 8.852 868 1HE LYS 114 2HE LYS 114 12.094 6.324 6.324 869 2HE LYS 114 1HE LYS 114 12.535 7.940 7.940 870 1HZ LYS 114 2HZ LYS 114 10.089 7.290 7.290 871 2HZ LYS 114 1HZ LYS 114 11.111 5.968 5.968 872 3HZ LYS 114 3HZ LYS 114 11.596 7.518 7.518 873 H LEU 115 H LEU 115 7.892 8.283 8.283 874 HA LEU 115 HA LEU 115 5.762 6.743 6.743 875 1HB LEU 115 2HB LEU 115 7.310 9.020 9.020 876 2HB LEU 115 1HB LEU 115 6.037 8.255 8.255 877 HG LEU 115 HG LEU 115 5.675 9.640 9.640 878 1HD1 LEU 115 1HD1 LEU 115 5.002 10.503 10.503 879 2HD1 LEU 115 3HD1 LEU 115 4.590 11.408 11.408 880 3HD1 LEU 115 2HD1 LEU 115 6.260 11.215 11.215 881 1HD2 LEU 115 3HD2 LEU 115 3.714 8.570 8.570 882 2HD2 LEU 115 2HD2 LEU 115 3.976 7.808 7.808 883 3HD2 LEU 115 1HD2 LEU 115 3.244 9.400 9.400 884 H ASN 116 H ASN 116 8.974 7.161 7.161 885 HA ASN 116 HA ASN 116 8.767 5.697 5.697 886 1HB ASN 116 2HB ASN 116 11.125 5.645 5.645 887 2HB ASN 116 1HB ASN 116 11.141 5.073 5.073 888 1HD2 ASN 116 2HD2 ASN 116 10.275 8.883 8.883 889 2HD2 ASN 116 1HD2 ASN 116 9.123 7.704 7.704 890 H ALA 117 H ALA 117 9.626 4.542 4.542 891 HA ALA 117 HA ALA 117 9.802 1.855 1.855 892 1HB ALA 117 2HB ALA 117 8.885 2.693 2.693 893 2HB ALA 117 1HB ALA 117 9.368 1.080 1.080 894 3HB ALA 117 3HB ALA 117 10.554 2.368 2.368 895 H THR 118 H THR 118 7.037 3.377 3.377 896 HA THR 118 HA THR 118 5.192 1.321 1.321 897 HB THR 118 HB THR 118 3.499 3.464 3.464 898 HG1 THR 118 HG1 THR 118 5.687 4.465 4.465 899 1HG2 THR 118 2HG2 THR 118 4.832 3.439 3.439 900 2HG2 THR 118 1HG2 THR 118 3.314 4.203 4.203 901 3HG2 THR 118 3HG2 THR 118 3.427 2.452 2.452 902 H ILE 119 H ILE 119 5.915 3.435 3.435 903 HA ILE 119 HA ILE 119 4.120 2.211 2.211 904 HB ILE 119 HB ILE 119 6.653 3.873 3.873 905 1HG1 ILE 119 2HG1 ILE 119 3.760 4.823 4.823 906 2HG1 ILE 119 1HG1 ILE 119 4.727 4.831 4.831 907 1HG2 ILE 119 3HG2 ILE 119 4.264 3.405 3.405 908 2HG2 ILE 119 2HG2 ILE 119 5.595 4.476 4.476 909 3HG2 ILE 119 1HG2 ILE 119 5.865 2.748 2.748 910 1HD1 ILE 119 2HD1 ILE 119 6.438 6.233 6.233 911 2HD1 ILE 119 1HD1 ILE 119 5.263 6.356 6.356 912 3HD1 ILE 119 3HD1 ILE 119 4.914 7.036 7.036 913 H ASP 120 H ASP 120 7.674 1.885 1.885 914 HA ASP 120 HA ASP 120 7.746 -0.130 -0.130 915 1HB ASP 120 2HB ASP 120 9.698 1.281 1.281 916 2HB ASP 120 1HB ASP 120 9.803 -0.187 -0.187 917 H VAL 121 H VAL 121 7.567 -0.554 -0.554 918 HA VAL 121 HA VAL 121 7.660 -3.391 -3.391 919 HB VAL 121 HB VAL 121 6.648 -3.138 -3.138 920 1HG1 VAL 121 1HG1 VAL 121 8.493 -0.832 -0.832 921 2HG1 VAL 121 3HG1 VAL 121 8.092 -1.494 -1.494 922 3HG1 VAL 121 2HG1 VAL 121 8.947 -2.475 -2.475 923 1HG2 VAL 121 3HG2 VAL 121 5.954 -0.366 -0.366 924 2HG2 VAL 121 2HG2 VAL 121 4.788 -1.628 -1.628 925 3HG2 VAL 121 1HG2 VAL 121 5.764 -0.996 -0.996 926 H MET 122 H MET 122 5.203 -1.094 -1.094 927 HA MET 122 HA MET 122 3.019 -2.988 -2.988 928 1HB MET 122 2HB MET 122 3.377 -0.053 -0.053 929 2HB MET 122 1HB MET 122 1.978 -0.925 -0.925 930 1HG MET 122 2HG MET 122 1.208 -1.443 -1.443 931 2HG MET 122 1HG MET 122 2.785 -1.182 -1.182 932 1HE MET 122 1HE MET 122 1.388 1.254 1.254 933 2HE MET 122 3HE MET 122 -0.213 1.150 1.150 934 3HE MET 122 2HE MET 122 0.799 2.577 2.577 935 H ARG 123 H ARG 123 5.238 -1.386 -1.386 936 HA ARG 123 HA ARG 123 4.085 -2.297 -2.297 937 1HB ARG 123 2HB ARG 123 7.049 -2.218 -2.218 938 2HB ARG 123 1HB ARG 123 6.473 -2.508 -2.508 939 1HG ARG 123 2HG ARG 123 5.184 -0.354 -0.354 940 2HG ARG 123 1HG ARG 123 5.865 -0.059 -0.059 941 1HD ARG 123 2HD ARG 123 8.158 -0.143 -0.143 942 2HD ARG 123 1HD ARG 123 7.447 -0.280 -0.280 943 HE ARG 123 HE ARG 123 6.132 1.788 1.788 944 1HH1 ARG 123 2HH1 ARG 123 9.179 1.201 1.201 945 2HH1 ARG 123 1HH1 ARG 123 9.471 2.829 2.829 946 1HH2 ARG 123 1HH2 ARG 123 6.448 3.916 3.916 947 2HH2 ARG 123 2HH2 ARG 123 7.823 4.475 4.475 948 H GLY 124 H GLY 124 6.170 -3.973 -3.973 949 1HA GLY 124 2HA GLY 124 6.235 -6.490 -6.490 950 2HA GLY 124 1HA GLY 124 6.604 -6.295 -6.295 951 H LEU 125 H LEU 125 4.333 -5.244 -5.244 952 HA LEU 125 HA LEU 125 2.570 -7.376 -7.376 953 1HB LEU 125 2HB LEU 125 2.675 -4.925 -4.925 954 2HB LEU 125 1HB LEU 125 1.591 -4.477 -4.477 955 HG LEU 125 HG LEU 125 0.180 -4.742 -4.742 956 1HD1 LEU 125 2HD1 LEU 125 0.122 -7.425 -7.425 957 2HD1 LEU 125 1HD1 LEU 125 -1.157 -6.770 -6.770 958 3HD1 LEU 125 3HD1 LEU 125 -0.703 -5.965 -5.965 959 1HD2 LEU 125 1HD2 LEU 125 1.705 -7.238 -7.238 960 2HD2 LEU 125 3HD2 LEU 125 1.750 -5.683 -5.683 961 3HD2 LEU 125 2HD2 LEU 125 0.280 -6.627 -6.627 962 H LEU 126 H LEU 126 2.021 -4.796 -4.796 963 HA LEU 126 HA LEU 126 -0.163 -5.931 -5.931 964 1HB LEU 126 2HB LEU 126 2.096 -4.154 -4.154 965 2HB LEU 126 1HB LEU 126 0.723 -4.483 -4.483 966 HG LEU 126 HG LEU 126 1.006 -2.763 -2.763 967 1HD1 LEU 126 2HD1 LEU 126 0.449 -1.821 -1.821 968 2HD1 LEU 126 1HD1 LEU 126 -1.013 -2.801 -2.801 969 3HD1 LEU 126 3HD1 LEU 126 -0.841 -1.480 -1.480 970 1HD2 LEU 126 2HD2 LEU 126 -1.509 -4.172 -4.172 971 2HD2 LEU 126 1HD2 LEU 126 -0.696 -4.308 -4.308 972 3HD2 LEU 126 3HD2 LEU 126 -1.439 -2.791 -2.791 973 H SER 127 H SER 127 3.184 -6.125 -6.125 974 HA SER 127 HA SER 127 2.684 -7.897 -7.897 975 1HB SER 127 2HB SER 127 5.115 -7.717 -7.717 976 2HB SER 127 1HB SER 127 5.168 -8.424 -8.424 977 HG SER 127 HG SER 127 4.867 -5.784 -5.784 978 H ASN 128 H ASN 128 3.081 -8.598 -8.598 979 HA ASN 128 HA ASN 128 2.956 -11.472 -11.472 980 1HB ASN 128 2HB ASN 128 2.548 -9.547 -9.547 981 2HB ASN 128 1HB ASN 128 2.485 -11.274 -11.274 982 1HD2 ASN 128 2HD2 ASN 128 6.028 -9.640 -9.640 983 2HD2 ASN 128 1HD2 ASN 128 4.579 -8.758 -8.758 984 H VAL 129 H VAL 129 0.615 -8.815 -8.815 985 HA VAL 129 HA VAL 129 -1.569 -10.672 -10.672 986 HB VAL 129 HB VAL 129 -1.335 -7.687 -7.687 987 1HG1 VAL 129 2HG1 VAL 129 -3.830 -9.340 -9.340 988 2HG1 VAL 129 1HG1 VAL 129 -3.921 -7.637 -7.637 989 3HG1 VAL 129 3HG1 VAL 129 -3.189 -8.241 -8.241 990 1HG2 VAL 129 3HG2 VAL 129 -2.957 -9.415 -9.415 991 2HG2 VAL 129 2HG2 VAL 129 -1.430 -8.658 -8.658 992 3HG2 VAL 129 1HG2 VAL 129 -2.856 -7.669 -7.669 993 H LEU 130 H LEU 130 -0.764 -8.708 -8.708 994 HA LEU 130 HA LEU 130 -2.682 -9.842 -9.842 995 1HB LEU 130 2HB LEU 130 -0.665 -7.973 -7.973 996 2HB LEU 130 1HB LEU 130 0.070 -9.312 -9.312 997 HG LEU 130 HG LEU 130 -1.148 -7.842 -7.842 998 1HD1 LEU 130 1HD1 LEU 130 -1.162 -10.296 -10.296 999 2HD1 LEU 130 3HD1 LEU 130 -2.652 -10.477 -10.477 1000 3HD1 LEU 130 2HD1 LEU 130 -2.609 -9.503 -9.503 1001 1HD2 LEU 130 1HD2 LEU 130 -2.860 -6.961 -6.961 1002 2HD2 LEU 130 3HD2 LEU 130 -3.583 -7.592 -7.592 1003 3HD2 LEU 130 2HD2 LEU 130 -3.683 -8.512 -8.512 1004 H CYS 131 H CYS 131 0.667 -10.872 -10.872 1005 HA CYS 131 HA CYS 131 0.605 -13.246 -13.246 1006 1HB CYS 131 2HB CYS 131 2.612 -12.256 -12.256 1007 2HB CYS 131 1HB CYS 131 2.000 -13.024 -13.024 1008 H ARG 132 H ARG 132 -0.165 -13.061 -13.061 1009 HA ARG 132 HA ARG 132 -0.869 -15.805 -15.805 1010 1HB ARG 132 2HB ARG 132 -0.839 -13.690 -13.690 1011 2HB ARG 132 1HB ARG 132 -2.565 -13.910 -13.910 1012 1HG ARG 132 2HG ARG 132 -0.582 -16.128 -16.128 1013 2HG ARG 132 1HG ARG 132 -1.469 -15.260 -15.260 1014 1HD ARG 132 2HD ARG 132 -2.750 -16.906 -16.906 1015 2HD ARG 132 1HD ARG 132 -2.426 -17.536 -17.536 1016 HE ARG 132 HE ARG 132 -3.963 -15.227 -15.227 1017 1HH1 ARG 132 2HH1 ARG 132 -4.182 -18.278 -18.278 1018 2HH1 ARG 132 1HH1 ARG 132 -5.876 -18.462 -18.462 1019 1HH2 ARG 132 1HH2 ARG 132 -6.325 -15.464 -15.464 1020 2HH2 ARG 132 2HH2 ARG 132 -7.103 -16.794 -16.794 1021 H LEU 133 H LEU 133 -2.836 -12.955 -12.955 1022 HA LEU 133 HA LEU 133 -5.284 -14.213 -14.213 1023 1HB LEU 133 2HB LEU 133 -4.059 -12.028 -12.028 1024 2HB LEU 133 1HB LEU 133 -5.726 -12.494 -12.494 1025 HG LEU 133 HG LEU 133 -4.517 -11.646 -11.646 1026 1HD1 LEU 133 1HD1 LEU 133 -6.002 -9.947 -9.947 1027 2HD1 LEU 133 3HD1 LEU 133 -5.655 -9.461 -9.461 1028 3HD1 LEU 133 2HD1 LEU 133 -4.348 -9.726 -9.726 1029 1HD2 LEU 133 2HD2 LEU 133 -7.368 -11.920 -11.920 1030 2HD2 LEU 133 1HD2 LEU 133 -6.554 -12.944 -12.944 1031 3HD2 LEU 133 3HD2 LEU 133 -6.880 -11.277 -11.277 1032 H CYS 134 H CYS 134 -2.725 -13.981 -13.981 1033 HA CYS 134 HA CYS 134 -3.855 -15.320 -15.320 1034 1HB CYS 134 2HB CYS 134 -1.071 -16.004 -16.004 1035 2HB CYS 134 1HB CYS 134 -1.613 -15.959 -15.959 1036 H ASN 135 H ASN 135 -2.248 -16.897 -16.897 1037 HA ASN 135 HA ASN 135 -2.633 -19.580 -19.580 1038 1HB ASN 135 2HB ASN 135 -1.411 -18.595 -18.595 1039 2HB ASN 135 1HB ASN 135 -2.958 -18.687 -18.687 1040 1HD2 ASN 135 2HD2 ASN 135 -2.619 -22.210 -22.210 1041 2HD2 ASN 135 1HD2 ASN 135 -3.459 -20.796 -20.796 1042 H LYS 136 H LYS 136 -5.322 -17.511 -17.511 1043 HA LYS 136 HA LYS 136 -6.996 -19.859 -19.859 1044 1HB LYS 136 2HB LYS 136 -6.769 -18.253 -18.253 1045 2HB LYS 136 1HB LYS 136 -8.341 -18.889 -18.889 1046 1HG LYS 136 2HG LYS 136 -6.380 -21.012 -21.012 1047 2HG LYS 136 1HG LYS 136 -5.985 -20.289 -20.289 1048 1HD LYS 136 2HD LYS 136 -7.596 -22.159 -22.159 1049 2HD LYS 136 1HD LYS 136 -8.523 -20.695 -20.695 1050 1HE LYS 136 2HE LYS 136 -9.296 -20.698 -20.698 1051 2HE LYS 136 1HE LYS 136 -8.344 -22.145 -22.145 1052 1HZ LYS 136 3HZ LYS 136 -9.962 -22.650 -22.650 1053 2HZ LYS 136 2HZ LYS 136 -10.934 -21.923 -21.923 1054 3HZ LYS 136 1HZ LYS 136 -10.082 -23.357 -23.357 1055 H TYR 137 H TYR 137 -6.608 -16.807 -16.807 1056 HA TYR 137 HA TYR 137 -9.319 -16.540 -16.540 1057 1HB TYR 137 2HB TYR 137 -8.163 -14.042 -14.042 1058 2HB TYR 137 1HB TYR 137 -9.837 -14.510 -14.510 1059 HD1 TYR 137 HD2 TYR 137 -10.863 -16.190 -16.190 1060 HD2 TYR 137 HD1 TYR 137 -6.953 -14.674 -14.674 1061 HE1 TYR 137 HE2 TYR 137 -10.715 -16.955 -16.955 1062 HE2 TYR 137 HE1 TYR 137 -6.744 -15.409 -15.409 1063 HH TYR 137 HH TYR 137 -9.394 -16.679 -16.679 1064 H ARG 138 H ARG 138 -7.938 -17.197 -17.197 1065 HA ARG 138 HA ARG 138 -6.187 -15.057 -15.057 1066 1HB ARG 138 2HB ARG 138 -6.538 -18.030 -18.030 1067 2HB ARG 138 1HB ARG 138 -5.986 -17.041 -17.041 1068 1HG ARG 138 2HG ARG 138 -3.988 -16.543 -16.543 1069 2HG ARG 138 1HG ARG 138 -4.654 -16.466 -16.466 1070 1HD ARG 138 2HD ARG 138 -3.119 -18.378 -18.378 1071 2HD ARG 138 1HD ARG 138 -4.749 -18.882 -18.882 1072 HE ARG 138 HE ARG 138 -4.827 -19.951 -19.951 1073 1HH1 ARG 138 2HH1 ARG 138 -2.135 -17.730 -17.730 1074 2HH1 ARG 138 1HH1 ARG 138 -1.265 -18.519 -18.519 1075 1HH2 ARG 138 1HH2 ARG 138 -3.839 -20.869 -20.869 1076 2HH2 ARG 138 2HH2 ARG 138 -2.326 -20.274 -20.274 1077 H VAL 139 H VAL 139 -8.181 -14.089 -14.089 1078 HA VAL 139 HA VAL 139 -9.930 -14.297 -14.297 1079 HB VAL 139 HB VAL 139 -10.324 -12.648 -12.648 1080 1HG1 VAL 139 1HG1 VAL 139 -12.272 -13.411 -13.411 1081 2HG1 VAL 139 3HG1 VAL 139 -12.681 -12.467 -12.467 1082 3HG1 VAL 139 2HG1 VAL 139 -11.571 -11.823 -11.823 1083 1HG2 VAL 139 1HG2 VAL 139 -11.428 -15.358 -15.358 1084 2HG2 VAL 139 3HG2 VAL 139 -10.256 -15.070 -15.070 1085 3HG2 VAL 139 2HG2 VAL 139 -11.901 -14.490 -14.490 1086 H GLY 140 H GLY 140 -8.394 -12.055 -12.055 1087 1HA GLY 140 2HA GLY 140 -6.685 -10.420 -10.420 1088 2HA GLY 140 1HA GLY 140 -7.315 -10.524 -10.524 1089 H HIS 141 H HIS 141 -9.618 -10.202 -10.202 1090 HA HIS 141 HA HIS 141 -10.199 -7.455 -7.455 1091 1HB HIS 141 2HB HIS 141 -12.073 -9.154 -9.154 1092 2HB HIS 141 1HB HIS 141 -11.740 -9.123 -9.123 1093 HD1 HIS 141 HD1 HIS 141 -14.430 -8.247 -8.247 1094 HD2 HIS 141 HD2 HIS 141 -11.423 -5.488 -5.488 1095 HE1 HIS 141 HE1 HIS 141 -15.489 -6.035 -6.035 1096 H VAL 142 H VAL 142 -7.943 -7.076 -7.076 1097 HA VAL 142 HA VAL 142 -8.202 -6.598 -6.598 1098 HB VAL 142 HB VAL 142 -6.091 -7.526 -7.526 1099 1HG1 VAL 142 2HG1 VAL 142 -6.043 -7.402 -7.402 1100 2HG1 VAL 142 1HG1 VAL 142 -5.632 -5.696 -5.696 1101 3HG1 VAL 142 3HG1 VAL 142 -4.529 -6.882 -6.882 1102 1HG2 VAL 142 1HG2 VAL 142 -5.568 -4.524 -4.524 1103 2HG2 VAL 142 3HG2 VAL 142 -5.772 -5.583 -5.583 1104 3HG2 VAL 142 2HG2 VAL 142 -4.364 -5.725 -5.725 1105 H ASP 143 H ASP 143 -6.966 -4.644 -4.644 1106 HA ASP 143 HA ASP 143 -7.365 -2.378 -2.378 1107 1HB ASP 143 2HB ASP 143 -8.754 -1.766 -1.766 1108 2HB ASP 143 1HB ASP 143 -8.802 -0.830 -0.830 1109 H VAL 144 H VAL 144 -5.767 -0.822 -0.822 1110 HA VAL 144 HA VAL 144 -4.791 -0.571 -0.571 1111 HB VAL 144 HB VAL 144 -2.428 -0.886 -0.886 1112 1HG1 VAL 144 3HG1 VAL 144 -3.866 -2.880 -2.880 1113 2HG1 VAL 144 2HG1 VAL 144 -4.258 -3.207 -3.207 1114 3HG1 VAL 144 1HG1 VAL 144 -2.603 -3.378 -3.378 1115 1HG2 VAL 144 1HG2 VAL 144 -2.783 -0.175 -0.175 1116 2HG2 VAL 144 3HG2 VAL 144 -2.034 -1.760 -1.760 1117 3HG2 VAL 144 2HG2 VAL 144 -3.750 -1.615 -1.615 1118 HA PRO 145 HA PRO 145 -5.464 3.081 3.081 1119 1HB PRO 145 2HB PRO 145 -7.157 4.599 4.599 1120 2HB PRO 145 1HB PRO 145 -7.688 3.331 3.331 1121 1HG PRO 145 2HG PRO 145 -7.043 3.087 3.087 1122 2HG PRO 145 1HG PRO 145 -8.527 2.568 2.568 1123 1HD PRO 145 2HD PRO 145 -6.663 0.713 0.713 1124 2HD PRO 145 1HD PRO 145 -7.364 0.803 0.803 1125 HA PRO 146 HA PRO 146 -2.299 5.092 5.092 1126 1HB PRO 146 2HB PRO 146 -0.339 5.435 5.435 1127 2HB PRO 146 1HB PRO 146 -0.808 3.796 3.796 1128 1HG PRO 146 2HG PRO 146 -1.723 5.360 5.360 1129 2HG PRO 146 1HG PRO 146 -1.070 3.719 3.719 1130 1HD PRO 146 2HD PRO 146 -3.813 4.235 4.235 1131 2HD PRO 146 1HD PRO 146 -3.116 2.792 2.792 1132 H VAL 147 H VAL 147 -4.450 6.562 6.562 1133 HA VAL 147 HA VAL 147 -3.320 9.233 9.233 1134 HB VAL 147 HB VAL 147 -6.088 8.208 8.208 1135 1HG1 VAL 147 1HG1 VAL 147 -4.632 10.782 10.782 1136 2HG1 VAL 147 3HG1 VAL 147 -6.206 10.292 10.292 1137 3HG1 VAL 147 2HG1 VAL 147 -5.997 10.667 10.667 1138 1HG2 VAL 147 1HG2 VAL 147 -3.602 8.650 8.650 1139 2HG2 VAL 147 3HG2 VAL 147 -4.308 7.095 7.095 1140 3HG2 VAL 147 2HG2 VAL 147 -5.193 8.219 8.219 1141 HA PRO 148 HA PRO 148 -5.535 9.856 9.856 1142 1HB PRO 148 2HB PRO 148 -3.919 11.607 11.607 1143 2HB PRO 148 1HB PRO 148 -3.404 9.927 9.927 1144 1HG PRO 148 2HG PRO 148 -2.703 12.351 12.351 1145 2HG PRO 148 1HG PRO 148 -1.611 11.111 11.111 1146 1HD PRO 148 2HD PRO 148 -2.782 11.052 11.052 1147 2HD PRO 148 1HD PRO 148 -2.180 9.597 9.597 1148 H ASP 149 H ASP 149 -6.885 11.400 11.400 1149 HA ASP 149 HA ASP 149 -7.353 13.866 13.866 1150 1HB ASP 149 2HB ASP 149 -9.799 13.460 13.460 1151 2HB ASP 149 1HB ASP 149 -9.125 12.103 12.103 1152 H HIS 150 H HIS 150 -5.851 14.779 14.779 1153 HA HIS 150 HA HIS 150 -7.038 15.131 15.131 1154 1HB HIS 150 2HB HIS 150 -4.620 15.875 15.875 1155 2HB HIS 150 1HB HIS 150 -4.847 14.189 14.189 1156 HD1 HIS 150 HD1 HIS 150 -4.139 17.235 17.235 1157 HD2 HIS 150 HD2 HIS 150 -2.748 13.456 13.456 1158 HE1 HIS 150 HE1 HIS 150 -2.297 16.836 16.836 1159 H SER 151 H SER 151 -7.412 16.707 16.707 1160 HA SER 151 HA SER 151 -6.696 19.439 19.439 1161 1HB SER 151 2HB SER 151 -7.792 19.835 19.835 1162 2HB SER 151 1HB SER 151 -6.272 18.928 18.928 1163 HG SER 151 HG SER 151 -8.691 18.086 18.086 1164 H ASP 152 H ASP 152 -8.220 18.264 18.264 1165 HA ASP 152 HA ASP 152 -11.061 19.044 19.044 1166 1HB ASP 152 2HB ASP 152 -11.182 17.809 17.809 1167 2HB ASP 152 1HB ASP 152 -10.751 16.823 16.823 1168 H LYS 153 H LYS 153 -8.266 19.803 19.803 1169 HA LYS 153 HA LYS 153 -9.553 22.316 22.316 1170 1HB LYS 153 2HB LYS 153 -7.726 20.430 20.430 1171 2HB LYS 153 1HB LYS 153 -8.423 21.916 21.916 1172 1HG LYS 153 2HG LYS 153 -10.075 19.550 19.550 1173 2HG LYS 153 1HG LYS 153 -9.590 19.780 19.780 1174 1HD LYS 153 2HD LYS 153 -10.918 21.859 21.859 1175 2HD LYS 153 1HD LYS 153 -11.241 21.761 21.761 1176 1HE LYS 153 2HE LYS 153 -12.394 19.603 19.603 1177 2HE LYS 153 1HE LYS 153 -12.036 19.601 19.601 1178 1HZ LYS 153 1HZ LYS 153 -13.336 22.024 22.024 1179 2HZ LYS 153 3HZ LYS 153 -14.219 20.761 20.761 1180 3HZ LYS 153 2HZ LYS 153 -13.898 20.742 20.742 1181 H GLU 154 H GLU 154 -7.936 24.111 24.111 1182 HA GLU 154 HA GLU 154 -5.778 23.502 23.502 1183 1HB GLU 154 2HB GLU 154 -7.090 25.578 25.578 1184 2HB GLU 154 1HB GLU 154 -6.473 26.130 26.130 1185 1HG GLU 154 2HG GLU 154 -4.072 25.583 25.583 1186 2HG GLU 154 1HG GLU 154 -5.122 25.891 25.891 1187 H VAL 155 H VAL 155 -4.859 25.839 25.839 1188 HA VAL 155 HA VAL 155 -2.292 25.244 25.244 1189 HB VAL 155 HB VAL 155 -2.501 26.115 26.115 1190 1HG1 VAL 155 2HG1 VAL 155 -2.644 27.783 27.783 1191 2HG1 VAL 155 1HG1 VAL 155 -4.394 27.662 27.662 1192 3HG1 VAL 155 3HG1 VAL 155 -3.514 28.299 28.299 1193 1HG2 VAL 155 3HG2 VAL 155 -5.525 25.921 25.921 1194 2HG2 VAL 155 2HG2 VAL 155 -4.568 25.004 25.004 1195 3HG2 VAL 155 1HG2 VAL 155 -4.706 26.732 26.732 1196 H PHE 156 H PHE 156 -4.969 23.873 23.873 1197 HA PHE 156 HA PHE 156 -3.775 22.025 22.025 1198 1HB PHE 156 2HB PHE 156 -6.312 21.399 21.399 1199 2HB PHE 156 1HB PHE 156 -5.999 20.875 20.875 1200 HD1 PHE 156 HD1 PHE 156 -7.020 23.695 23.695 1201 HD2 PHE 156 HD2 PHE 156 -6.465 22.351 22.351 1202 HE1 PHE 156 HE1 PHE 156 -8.306 25.606 25.606 1203 HE2 PHE 156 HE2 PHE 156 -7.751 24.271 24.271 1204 HZ PHE 156 HZ PHE 156 -8.678 25.900 25.900 1205 H GLN 157 H GLN 157 -5.156 21.266 21.266 1206 HA GLN 157 HA GLN 157 -4.270 18.673 18.673 1207 1HB GLN 157 2HB GLN 157 -5.467 19.636 19.636 1208 2HB GLN 157 1HB GLN 157 -4.314 20.959 20.959 1209 1HG GLN 157 2HG GLN 157 -2.625 19.269 19.269 1210 2HG GLN 157 1HG GLN 157 -3.876 18.047 18.047 1211 1HE2 GLN 157 2HE2 GLN 157 -5.181 21.029 21.029 1212 2HE2 GLN 157 1HE2 GLN 157 -5.124 21.213 21.213 1213 H LYS 158 H LYS 158 -2.460 21.441 21.441 1214 HA LYS 158 HA LYS 158 -0.190 20.252 20.252 1215 1HB LYS 158 2HB LYS 158 -0.782 22.857 22.857 1216 2HB LYS 158 1HB LYS 158 -0.043 22.565 22.565 1217 1HG LYS 158 2HG LYS 158 1.644 23.568 23.568 1218 2HG LYS 158 1HG LYS 158 2.096 21.881 21.881 1219 1HD LYS 158 2HD LYS 158 1.124 21.292 21.292 1220 2HD LYS 158 1HD LYS 158 0.470 22.918 22.918 1221 1HE LYS 158 2HE LYS 158 2.877 23.781 23.781 1222 2HE LYS 158 1HE LYS 158 3.407 22.106 22.106 1223 1HZ LYS 158 1HZ LYS 158 1.565 22.377 22.377 1224 2HZ LYS 158 3HZ LYS 158 2.577 23.720 23.720 1225 3HZ LYS 158 2HZ LYS 158 3.243 22.151 22.151 1226 H LYS 159 H LYS 159 -0.842 20.603 20.603 1227 HA LYS 159 HA LYS 159 1.603 19.015 19.015 1228 1HB LYS 159 2HB LYS 159 -0.194 21.001 21.001 1229 2HB LYS 159 1HB LYS 159 0.964 20.126 20.126 1230 1HG LYS 159 2HG LYS 159 2.753 20.868 20.868 1231 2HG LYS 159 1HG LYS 159 1.527 21.917 21.917 1232 1HD LYS 159 2HD LYS 159 2.634 22.043 22.043 1233 2HD LYS 159 1HD LYS 159 3.064 23.113 23.113 1234 1HE LYS 159 2HE LYS 159 0.856 24.091 24.091 1235 2HE LYS 159 1HE LYS 159 0.164 22.865 22.865 1236 1HZ LYS 159 3HZ LYS 159 2.313 24.022 24.022 1237 2HZ LYS 159 2HZ LYS 159 1.358 25.301 25.301 1238 3HZ LYS 159 1HZ LYS 159 0.721 24.079 24.079 1239 H LYS 160 H LYS 160 -1.769 18.981 18.981 1240 HA LYS 160 HA LYS 160 -1.871 16.567 16.567 1241 1HB LYS 160 2HB LYS 160 -3.622 17.884 17.884 1242 2HB LYS 160 1HB LYS 160 -3.803 18.706 18.706 1243 1HG LYS 160 2HG LYS 160 -4.913 15.916 15.916 1244 2HG LYS 160 1HG LYS 160 -5.726 17.217 17.217 1245 1HD LYS 160 2HD LYS 160 -6.833 17.430 17.430 1246 2HD LYS 160 1HD LYS 160 -5.465 18.391 18.391 1247 1HE LYS 160 2HE LYS 160 -4.481 16.420 16.420 1248 2HE LYS 160 1HE LYS 160 -5.760 15.396 15.396 1249 1HZ LYS 160 1HZ LYS 160 -6.970 17.612 17.612 1250 2HZ LYS 160 3HZ LYS 160 -5.918 16.916 16.916 1251 3HZ LYS 160 2HZ LYS 160 -7.132 16.054 16.054 1252 H LEU 161 H LEU 161 -1.217 17.179 17.179 1253 HA LEU 161 HA LEU 161 -2.530 15.812 15.812 1254 1HB LEU 161 2HB LEU 161 -0.087 16.813 16.813 1255 2HB LEU 161 1HB LEU 161 0.393 15.184 15.184 1256 HG LEU 161 HG LEU 161 -1.008 15.926 15.926 1257 1HD1 LEU 161 2HD1 LEU 161 1.954 15.456 15.456 1258 2HD1 LEU 161 1HD1 LEU 161 1.309 15.733 15.733 1259 3HD1 LEU 161 3HD1 LEU 161 1.233 17.001 17.001 1260 1HD2 LEU 161 3HD2 LEU 161 0.474 13.381 13.381 1261 2HD2 LEU 161 2HD2 LEU 161 -1.264 13.533 13.533 1262 3HD2 LEU 161 1HD2 LEU 161 -0.241 13.694 13.694 1263 H GLY 162 H GLY 162 -0.572 14.219 14.219 1264 1HA GLY 162 2HA GLY 162 -1.891 11.609 11.609 1265 2HA GLY 162 1HA GLY 162 -0.368 11.806 11.806 1266 H CYS 163 H CYS 163 -1.851 14.108 14.108 1267 HA CYS 163 HA CYS 163 -2.433 12.737 12.737 1268 1HB CYS 163 2HB CYS 163 -1.815 15.142 15.142 1269 2HB CYS 163 1HB CYS 163 -3.516 15.441 15.441 1270 H GLN 164 H GLN 164 -4.705 13.972 13.972 1271 HA GLN 164 HA GLN 164 -7.022 13.019 13.019 1272 1HB GLN 164 2HB GLN 164 -6.555 13.527 13.527 1273 2HB GLN 164 1HB GLN 164 -8.029 12.746 12.746 1274 1HG GLN 164 2HG GLN 164 -8.621 14.541 14.541 1275 2HG GLN 164 1HG GLN 164 -7.099 15.367 15.367 1276 1HE2 GLN 164 2HE2 GLN 164 -9.685 16.881 16.881 1277 2HE2 GLN 164 1HE2 GLN 164 -9.613 16.600 16.600 1278 H LEU 165 H LEU 165 -4.585 11.511 11.511 1279 HA LEU 165 HA LEU 165 -6.051 8.977 8.977 1280 1HB LEU 165 2HB LEU 165 -3.131 9.742 9.742 1281 2HB LEU 165 1HB LEU 165 -3.625 8.106 8.106 1282 HG LEU 165 HG LEU 165 -3.722 8.546 8.546 1283 1HD1 LEU 165 1HD1 LEU 165 -5.724 7.404 7.404 1284 2HD1 LEU 165 3HD1 LEU 165 -6.584 8.927 8.927 1285 3HD1 LEU 165 2HD1 LEU 165 -6.034 8.492 8.492 1286 1HD2 LEU 165 1HD2 LEU 165 -5.131 11.178 11.178 1287 2HD2 LEU 165 3HD2 LEU 165 -3.476 10.979 10.979 1288 3HD2 LEU 165 2HD2 LEU 165 -4.800 10.486 10.486 1289 H LEU 166 H LEU 166 -3.402 10.389 10.389 1290 HA LEU 166 HA LEU 166 -3.364 7.909 7.909 1291 1HB LEU 166 2HB LEU 166 -2.557 10.701 10.701 1292 2HB LEU 166 1HB LEU 166 -2.779 9.595 9.595 1293 HG LEU 166 HG LEU 166 -0.394 9.556 9.556 1294 1HD1 LEU 166 1HD1 LEU 166 -1.929 6.913 6.913 1295 2HD1 LEU 166 3HD1 LEU 166 -0.230 7.040 7.040 1296 3HD1 LEU 166 2HD1 LEU 166 -1.284 7.510 7.510 1297 1HD2 LEU 166 3HD2 LEU 166 -1.632 8.328 8.328 1298 2HD2 LEU 166 2HD2 LEU 166 -0.838 9.894 9.894 1299 3HD2 LEU 166 1HD2 LEU 166 0.084 8.425 8.425 1300 H GLY 167 H GLY 167 -5.548 10.683 10.683 1301 1HA GLY 167 2HA GLY 167 -6.872 9.998 9.998 1302 2HA GLY 167 1HA GLY 167 -7.721 10.686 10.686 1303 H THR 168 H THR 168 -7.878 9.056 9.056 1304 HA THR 168 HA THR 168 -9.692 6.956 6.956 1305 HB THR 168 HB THR 168 -9.042 6.302 6.302 1306 HG1 THR 168 HG1 THR 168 -7.991 8.866 8.866 1307 1HG2 THR 168 2HG2 THR 168 -10.995 7.731 7.731 1308 2HG2 THR 168 1HG2 THR 168 -9.951 9.159 9.159 1309 3HG2 THR 168 3HG2 THR 168 -10.206 8.156 8.156 1310 H TYR 169 H TYR 169 -6.623 6.693 6.693 1311 HA TYR 169 HA TYR 169 -5.935 4.092 4.092 1312 1HB TYR 169 2HB TYR 169 -4.386 5.786 5.786 1313 2HB TYR 169 1HB TYR 169 -4.309 6.361 6.361 1314 HD1 TYR 169 HD1 TYR 169 -3.100 5.159 5.159 1315 HD2 TYR 169 HD2 TYR 169 -3.073 3.879 3.879 1316 HE1 TYR 169 HE1 TYR 169 -1.086 3.753 3.753 1317 HE2 TYR 169 HE2 TYR 169 -1.062 2.486 2.486 1318 HH TYR 169 HH TYR 169 0.747 3.230 3.230 1319 H LYS 170 H LYS 170 -5.732 6.095 6.095 1320 HA LYS 170 HA LYS 170 -4.928 3.905 3.905 1321 1HB LYS 170 2HB LYS 170 -4.796 6.332 6.332 1322 2HB LYS 170 1HB LYS 170 -6.541 6.380 6.380 1323 1HG LYS 170 2HG LYS 170 -6.791 4.820 4.820 1324 2HG LYS 170 1HG LYS 170 -5.047 4.807 4.807 1325 1HD LYS 170 2HD LYS 170 -6.098 6.312 6.312 1326 2HD LYS 170 1HD LYS 170 -5.063 7.228 7.228 1327 1HE LYS 170 2HE LYS 170 -8.092 6.922 6.922 1328 2HE LYS 170 1HE LYS 170 -7.365 8.284 8.284 1329 1HZ LYS 170 1HZ LYS 170 -6.078 7.964 7.964 1330 2HZ LYS 170 3HZ LYS 170 -7.742 7.975 7.975 1331 3HZ LYS 170 2HZ LYS 170 -7.035 9.255 9.255 1332 H GLN 171 H GLN 171 -8.085 5.360 5.360 1333 HA GLN 171 HA GLN 171 -9.569 3.451 3.451 1334 1HB GLN 171 2HB GLN 171 -10.271 5.774 5.774 1335 2HB GLN 171 1HB GLN 171 -10.573 4.882 4.882 1336 1HG GLN 171 2HG GLN 171 -11.872 3.803 3.803 1337 2HG GLN 171 1HG GLN 171 -12.497 5.305 5.305 1338 1HE2 GLN 171 2HE2 GLN 171 -14.563 3.171 3.171 1339 2HE2 GLN 171 1HE2 GLN 171 -14.528 4.249 4.249 1340 H VAL 172 H VAL 172 -8.874 3.394 3.394 1341 HA VAL 172 HA VAL 172 -10.255 0.855 0.855 1342 HB VAL 172 HB VAL 172 -9.410 1.326 1.326 1343 1HG1 VAL 172 3HG1 VAL 172 -11.391 2.584 2.584 1344 2HG1 VAL 172 2HG1 VAL 172 -10.322 3.854 3.854 1345 3HG1 VAL 172 1HG1 VAL 172 -10.444 3.493 3.493 1346 1HG2 VAL 172 2HG2 VAL 172 -7.722 3.270 3.270 1347 2HG2 VAL 172 1HG2 VAL 172 -7.156 1.922 1.922 1348 3HG2 VAL 172 3HG2 VAL 172 -7.959 3.292 3.292 1349 H ILE 173 H ILE 173 -6.816 1.801 1.801 1350 HA ILE 173 HA ILE 173 -5.705 -0.776 -0.776 1351 HB ILE 173 HB ILE 173 -4.738 1.598 1.598 1352 1HG1 ILE 173 2HG1 ILE 173 -4.706 1.504 1.504 1353 2HG1 ILE 173 1HG1 ILE 173 -3.308 2.097 2.097 1354 1HG2 ILE 173 2HG2 ILE 173 -3.201 -0.949 -0.949 1355 2HG2 ILE 173 1HG2 ILE 173 -2.527 0.570 0.570 1356 3HG2 ILE 173 3HG2 ILE 173 -3.783 -0.243 -0.243 1357 1HD1 ILE 173 1HD1 ILE 173 -3.669 -0.747 -0.747 1358 2HD1 ILE 173 3HD1 ILE 173 -2.715 0.507 0.507 1359 3HD1 ILE 173 2HD1 ILE 173 -2.205 -0.158 -0.158 1360 H SER 174 H SER 174 -6.922 0.776 0.776 1361 HA SER 174 HA SER 174 -6.365 -1.409 -1.409 1362 1HB SER 174 2HB SER 174 -8.135 -0.240 -0.240 1363 2HB SER 174 1HB SER 174 -6.643 0.637 0.637 1364 HG SER 174 HG SER 174 -8.747 0.942 0.942 1365 H VAL 175 H VAL 175 -8.135 -1.474 -1.474 1366 HA VAL 175 HA VAL 175 -10.209 -3.391 -3.391 1367 HB VAL 175 HB VAL 175 -10.360 -1.194 -1.194 1368 1HG1 VAL 175 1HG1 VAL 175 -12.138 -3.666 -3.666 1369 2HG1 VAL 175 3HG1 VAL 175 -12.383 -2.243 -2.243 1370 3HG1 VAL 175 2HG1 VAL 175 -10.998 -3.270 -3.270 1371 1HG2 VAL 175 3HG2 VAL 175 -11.163 -0.804 -0.804 1372 2HG2 VAL 175 2HG2 VAL 175 -12.474 -0.773 -0.773 1373 3HG2 VAL 175 1HG2 VAL 175 -12.239 -2.196 -2.196 1374 H VAL 176 H VAL 176 -7.751 -2.631 -2.631 1375 HA VAL 176 HA VAL 176 -8.454 -5.130 -5.130 1376 HB VAL 176 HB VAL 176 -6.767 -4.642 -4.642 1377 1HG1 VAL 176 1HG1 VAL 176 -8.845 -3.423 -3.423 1378 2HG1 VAL 176 3HG1 VAL 176 -8.183 -2.138 -2.138 1379 3HG1 VAL 176 2HG1 VAL 176 -7.524 -2.449 -2.449 1380 1HG2 VAL 176 1HG2 VAL 176 -5.955 -2.569 -2.569 1381 2HG2 VAL 176 3HG2 VAL 176 -4.966 -3.918 -3.918 1382 3HG2 VAL 176 2HG2 VAL 176 -5.318 -2.610 -2.610 1383 H VAL 177 H VAL 177 -6.221 -3.839 -3.839 1384 HA VAL 177 HA VAL 177 -4.352 -6.025 -6.025 1385 HB VAL 177 HB VAL 177 -4.224 -3.453 -3.453 1386 1HG1 VAL 177 2HG1 VAL 177 -6.238 -3.363 -3.363 1387 2HG1 VAL 177 1HG1 VAL 177 -5.485 -4.429 -4.429 1388 3HG1 VAL 177 3HG1 VAL 177 -4.812 -2.841 -2.841 1389 1HG2 VAL 177 2HG2 VAL 177 -3.140 -5.361 -5.361 1390 2HG2 VAL 177 1HG2 VAL 177 -2.296 -4.834 -4.834 1391 3HG2 VAL 177 3HG2 VAL 177 -2.687 -3.694 -3.694 1392 H GLN 178 H GLN 178 -7.555 -5.212 -5.212 1393 HA GLN 178 HA GLN 178 -7.795 -7.426 -7.426 1394 1HB GLN 178 2HB GLN 178 -8.746 -4.718 -4.718 1395 2HB GLN 178 1HB GLN 178 -10.163 -5.694 -5.694 1396 1HG GLN 178 2HG GLN 178 -9.848 -5.318 -5.318 1397 2HG GLN 178 1HG GLN 178 -9.674 -7.034 -7.034 1398 1HE2 GLN 178 2HE2 GLN 178 -6.476 -6.932 -6.932 1399 2HE2 GLN 178 1HE2 GLN 178 -7.935 -7.788 -7.788 1400 H ALA 179 H ALA 179 -7.729 -7.233 -7.233 1401 HA ALA 179 HA ALA 179 -10.317 -8.591 -8.591 1402 1HB ALA 179 1HB ALA 179 -8.237 -7.478 -7.478 1403 2HB ALA 179 3HB ALA 179 -9.764 -8.187 -8.187 1404 3HB ALA 179 2HB ALA 179 -9.744 -6.680 -6.680 1405 H PHE 180 H PHE 180 -6.834 -8.708 -8.708 1406 HA PHE 180 HA PHE 180 -7.019 -11.670 -11.670 1407 1HB PHE 180 2HB PHE 180 -5.128 -11.476 -11.476 1408 2HB PHE 180 1HB PHE 180 -6.706 -10.885 -10.885 1409 HD1 PHE 180 HD2 PHE 180 -3.500 -9.557 -9.557 1410 HD2 PHE 180 HD1 PHE 180 -6.905 -8.833 -8.833 1411 HE1 PHE 180 HE2 PHE 180 -2.665 -7.311 -7.311 1412 HE2 PHE 180 HE1 PHE 180 -6.080 -6.595 -6.595 1413 HZ PHE 180 HZ PHE 180 -3.927 -5.860 -5.860 Start of MODEL 12 1 1H SER 1 2H SER 1 14.192 -3.205 -3.205 2 2H SER 1 1H SER 1 15.891 -3.229 -3.229 3 3H SER 1 3H SER 1 15.115 -1.905 -1.905 4 HA SER 1 HA SER 1 14.928 -0.880 -0.880 5 1HB SER 1 2HB SER 1 17.032 -1.819 -1.819 6 2HB SER 1 1HB SER 1 16.364 -3.399 -3.399 7 HG SER 1 HG SER 1 14.988 -1.442 -1.442 8 HA PRO 2 HA PRO 2 11.224 -3.348 -3.348 9 1HB PRO 2 2HB PRO 2 11.128 -6.046 -6.046 10 2HB PRO 2 1HB PRO 2 11.735 -5.147 -5.147 11 1HG PRO 2 2HG PRO 2 13.338 -6.563 -6.563 12 2HG PRO 2 1HG PRO 2 13.620 -6.565 -6.565 13 1HD PRO 2 2HD PRO 2 14.911 -4.867 -4.867 14 2HD PRO 2 1HD PRO 2 14.815 -4.476 -4.476 15 H LEU 3 H LEU 3 9.748 -4.372 -4.372 16 HA LEU 3 HA LEU 3 10.915 -4.707 -4.707 17 1HB LEU 3 2HB LEU 3 8.480 -3.079 -3.079 18 2HB LEU 3 1HB LEU 3 8.689 -3.641 -3.641 19 HG LEU 3 HG LEU 3 10.930 -2.403 -2.403 20 1HD1 LEU 3 1HD1 LEU 3 9.814 -1.069 -1.069 21 2HD1 LEU 3 3HD1 LEU 3 11.200 -0.519 -0.519 22 3HD1 LEU 3 2HD1 LEU 3 11.276 -2.031 -2.031 23 1HD2 LEU 3 1HD2 LEU 3 8.871 -1.543 -1.543 24 2HD2 LEU 3 3HD2 LEU 3 9.815 -0.224 -0.224 25 3HD2 LEU 3 2HD2 LEU 3 8.379 -0.773 -0.773 26 HA PRO 4 HA PRO 4 8.139 -8.278 -8.278 27 1HB PRO 4 2HB PRO 4 9.774 -10.293 -10.293 28 2HB PRO 4 1HB PRO 4 9.977 -9.539 -9.539 29 1HG PRO 4 2HG PRO 4 11.418 -8.825 -8.825 30 2HG PRO 4 1HG PRO 4 12.161 -9.219 -9.219 31 1HD PRO 4 2HD PRO 4 11.780 -6.624 -6.624 32 2HD PRO 4 1HD PRO 4 11.443 -7.130 -7.130 33 H ILE 5 H ILE 5 7.191 -6.882 -6.882 34 HA ILE 5 HA ILE 5 7.163 -8.610 -8.610 35 HB ILE 5 HB ILE 5 8.338 -6.447 -6.447 36 1HG1 ILE 5 2HG1 ILE 5 6.941 -5.564 -5.564 37 2HG1 ILE 5 1HG1 ILE 5 5.570 -6.479 -6.479 38 1HG2 ILE 5 2HG2 ILE 5 7.261 -5.070 -5.070 39 2HG2 ILE 5 1HG2 ILE 5 5.743 -5.107 -5.107 40 3HG2 ILE 5 3HG2 ILE 5 7.127 -4.281 -4.281 41 1HD1 ILE 5 3HD1 ILE 5 6.905 -8.615 -8.615 42 2HD1 ILE 5 2HD1 ILE 5 8.236 -7.629 -7.629 43 3HD1 ILE 5 1HD1 ILE 5 6.727 -7.662 -7.662 44 H THR 6 H THR 6 5.179 -8.770 -8.770 45 HA THR 6 HA THR 6 2.767 -8.018 -8.018 46 HB THR 6 HB THR 6 1.877 -10.325 -10.325 47 HG1 THR 6 HG1 THR 6 3.535 -10.257 -10.257 48 1HG2 THR 6 3HG2 THR 6 4.571 -10.447 -10.447 49 2HG2 THR 6 2HG2 THR 6 3.291 -11.644 -11.644 50 3HG2 THR 6 1HG2 THR 6 3.063 -10.073 -10.073 51 HA PRO 7 HA PRO 7 2.117 -6.275 -6.275 52 1HB PRO 7 2HB PRO 7 0.117 -4.541 -4.541 53 2HB PRO 7 1HB PRO 7 1.755 -4.247 -4.247 54 1HG PRO 7 2HG PRO 7 -0.567 -5.626 -5.626 55 2HG PRO 7 1HG PRO 7 0.380 -4.248 -4.248 56 1HD PRO 7 2HD PRO 7 1.034 -6.788 -6.788 57 2HD PRO 7 1HD PRO 7 2.330 -5.619 -5.619 58 H VAL 8 H VAL 8 1.321 -8.728 -8.728 59 HA VAL 8 HA VAL 8 -1.512 -8.778 -8.778 60 HB VAL 8 HB VAL 8 -1.173 -10.015 -10.015 61 1HG1 VAL 8 1HG1 VAL 8 0.998 -11.558 -11.558 62 2HG1 VAL 8 3HG1 VAL 8 0.432 -11.939 -11.939 63 3HG1 VAL 8 2HG1 VAL 8 1.259 -10.431 -10.431 64 1HG2 VAL 8 2HG2 VAL 8 -2.739 -11.087 -11.087 65 2HG2 VAL 8 1HG2 VAL 8 -1.961 -12.246 -12.246 66 3HG2 VAL 8 3HG2 VAL 8 -1.401 -12.072 -12.072 67 H ASN 9 H ASN 9 0.234 -7.836 -7.836 68 HA ASN 9 HA ASN 9 1.539 -10.019 -10.019 69 1HB ASN 9 2HB ASN 9 2.498 -7.765 -7.765 70 2HB ASN 9 1HB ASN 9 1.830 -7.102 -7.102 71 1HD2 ASN 9 2HD2 ASN 9 4.083 -9.579 -9.579 72 2HD2 ASN 9 1HD2 ASN 9 2.390 -9.558 -9.558 73 H ALA 10 H ALA 10 -1.286 -9.019 -9.019 74 HA ALA 10 HA ALA 10 -1.727 -9.179 -9.179 75 1HB ALA 10 1HB ALA 10 -2.281 -6.803 -6.803 76 2HB ALA 10 3HB ALA 10 -3.434 -7.512 -7.512 77 3HB ALA 10 2HB ALA 10 -3.689 -7.665 -7.665 78 H THR 11 H THR 11 -1.449 -11.146 -11.146 79 HA THR 11 HA THR 11 -4.224 -12.177 -12.177 80 HB THR 11 HB THR 11 -1.758 -13.205 -13.205 81 HG1 THR 11 HG1 THR 11 -1.610 -11.281 -11.281 82 1HG2 THR 11 3HG2 THR 11 -4.651 -12.713 -12.713 83 2HG2 THR 11 2HG2 THR 11 -3.405 -13.514 -13.514 84 3HG2 THR 11 1HG2 THR 11 -4.040 -14.290 -14.290 85 H CYS 12 H CYS 12 -2.107 -12.509 -12.509 86 HA CYS 12 HA CYS 12 -1.075 -14.220 -14.220 87 1HB CYS 12 2HB CYS 12 -3.907 -13.711 -13.711 88 2HB CYS 12 1HB CYS 12 -3.460 -15.284 -15.284 89 H ALA 13 H ALA 13 -1.174 -15.148 -15.148 90 HA ALA 13 HA ALA 13 -1.520 -18.127 -18.127 91 1HB ALA 13 3HB ALA 13 -1.789 -16.574 -16.574 92 2HB ALA 13 2HB ALA 13 -1.956 -18.313 -18.313 93 3HB ALA 13 1HB ALA 13 -3.122 -17.230 -17.230 94 H ILE 14 H ILE 14 0.063 -15.983 -15.983 95 HA ILE 14 HA ILE 14 2.567 -17.582 -17.582 96 HB ILE 14 HB ILE 14 3.098 -16.110 -16.110 97 1HG1 ILE 14 2HG1 ILE 14 0.991 -15.460 -15.460 98 2HG1 ILE 14 1HG1 ILE 14 0.042 -15.760 -15.760 99 1HG2 ILE 14 2HG2 ILE 14 0.989 -18.316 -18.316 100 2HG2 ILE 14 1HG2 ILE 14 1.944 -17.746 -17.746 101 3HG2 ILE 14 3HG2 ILE 14 2.734 -18.528 -18.528 102 1HD1 ILE 14 3HD1 ILE 14 2.307 -13.717 -13.717 103 2HD1 ILE 14 2HD1 ILE 14 0.595 -13.341 -13.341 104 3HD1 ILE 14 1HD1 ILE 14 1.352 -13.956 -13.956 105 H ARG 15 H ARG 15 1.727 -15.755 -15.755 106 HA ARG 15 HA ARG 15 3.708 -13.543 -13.543 107 1HB ARG 15 2HB ARG 15 1.430 -12.804 -12.804 108 2HB ARG 15 1HB ARG 15 1.357 -13.932 -13.932 109 1HG ARG 15 2HG ARG 15 3.414 -12.637 -12.637 110 2HG ARG 15 1HG ARG 15 3.183 -11.484 -11.484 111 1HD ARG 15 2HD ARG 15 0.849 -10.994 -10.994 112 2HD ARG 15 1HD ARG 15 1.081 -12.195 -12.195 113 HE ARG 15 HE ARG 15 2.858 -10.894 -10.894 114 1HH1 ARG 15 2HH1 ARG 15 1.010 -9.174 -9.174 115 2HH1 ARG 15 1HH1 ARG 15 1.379 -7.644 -7.644 116 1HH2 ARG 15 1HH2 ARG 15 3.399 -8.900 -8.900 117 2HH2 ARG 15 2HH2 ARG 15 2.841 -7.469 -7.469 118 H HIS 16 H HIS 16 2.703 -14.745 -14.745 119 HA HIS 16 HA HIS 16 5.236 -16.251 -16.251 120 1HB HIS 16 2HB HIS 16 5.502 -13.769 -13.769 121 2HB HIS 16 1HB HIS 16 4.364 -14.044 -14.044 122 HD1 HIS 16 HD1 HIS 16 5.245 -15.389 -15.389 123 HD2 HIS 16 HD2 HIS 16 8.037 -15.074 -15.074 124 HE1 HIS 16 HE1 HIS 16 7.393 -16.204 -16.204 125 HA PRO 17 HA PRO 17 1.416 -18.150 -18.150 126 1HB PRO 17 2HB PRO 17 1.909 -20.772 -20.772 127 2HB PRO 17 1HB PRO 17 1.222 -19.638 -19.638 128 1HG PRO 17 2HG PRO 17 4.185 -20.350 -20.350 129 2HG PRO 17 1HG PRO 17 3.271 -20.438 -20.438 130 1HD PRO 17 2HD PRO 17 4.744 -18.241 -18.241 131 2HD PRO 17 1HD PRO 17 3.110 -17.993 -17.993 132 H CYS 18 H CYS 18 2.618 -17.351 -17.351 133 HA CYS 18 HA CYS 18 4.357 -19.471 -19.471 134 1HB CYS 18 2HB CYS 18 5.126 -17.810 -17.810 135 2HB CYS 18 1HB CYS 18 5.118 -17.104 -17.104 136 H HIS 19 H HIS 19 4.108 -19.961 -19.961 137 HA HIS 19 HA HIS 19 1.367 -19.791 -19.791 138 1HB HIS 19 2HB HIS 19 2.936 -22.427 -22.427 139 2HB HIS 19 1HB HIS 19 1.270 -22.228 -22.228 140 HD1 HIS 19 HD1 HIS 19 0.684 -20.560 -20.560 141 HD2 HIS 19 HD2 HIS 19 2.165 -24.353 -24.353 142 HE1 HIS 19 HE1 HIS 19 0.170 -21.772 -21.772 143 H GLY 20 H GLY 20 1.947 -21.449 -21.449 144 1HA GLY 20 2HA GLY 20 3.746 -21.700 -21.700 145 2HA GLY 20 1HA GLY 20 4.259 -20.057 -20.057 146 H ASN 21 H ASN 21 3.235 -18.395 -18.395 147 HA ASN 21 HA ASN 21 0.904 -19.012 -19.012 148 1HB ASN 21 2HB ASN 21 3.513 -17.525 -17.525 149 2HB ASN 21 1HB ASN 21 2.060 -17.088 -17.088 150 1HD2 ASN 21 2HD2 ASN 21 3.912 -20.550 -20.550 151 2HD2 ASN 21 1HD2 ASN 21 4.565 -19.546 -19.546 152 H LEU 22 H LEU 22 2.484 -15.920 -15.920 153 HA LEU 22 HA LEU 22 1.689 -13.947 -13.947 154 1HB LEU 22 2HB LEU 22 0.010 -15.984 -15.984 155 2HB LEU 22 1HB LEU 22 -0.189 -14.265 -14.265 156 HG LEU 22 HG LEU 22 1.326 -15.498 -15.498 157 1HD1 LEU 22 1HD1 LEU 22 1.411 -13.012 -13.012 158 2HD1 LEU 22 3HD1 LEU 22 2.614 -13.208 -13.208 159 3HD1 LEU 22 2HD1 LEU 22 2.985 -13.674 -13.674 160 1HD2 LEU 22 1HD2 LEU 22 2.550 -16.938 -16.938 161 2HD2 LEU 22 3HD2 LEU 22 3.640 -15.953 -15.953 162 3HD2 LEU 22 2HD2 LEU 22 3.304 -15.517 -15.517 163 H MET 23 H MET 23 -1.296 -15.819 -15.819 164 HA MET 23 HA MET 23 -3.167 -13.976 -13.976 165 1HB MET 23 2HB MET 23 -4.342 -15.751 -15.751 166 2HB MET 23 1HB MET 23 -3.783 -16.381 -16.381 167 1HG MET 23 2HG MET 23 -1.765 -17.337 -17.337 168 2HG MET 23 1HG MET 23 -2.478 -16.790 -16.790 169 1HE MET 23 3HE MET 23 -2.342 -18.808 -18.808 170 2HE MET 23 2HE MET 23 -4.029 -18.289 -18.289 171 3HE MET 23 1HE MET 23 -3.636 -19.979 -19.979 172 H ASN 24 H ASN 24 -1.038 -15.467 -15.467 173 HA ASN 24 HA ASN 24 -1.857 -13.548 -13.548 174 1HB ASN 24 2HB ASN 24 -0.385 -15.155 -15.155 175 2HB ASN 24 1HB ASN 24 -1.867 -15.846 -15.846 176 1HD2 ASN 24 2HD2 ASN 24 1.054 -18.193 -18.193 177 2HD2 ASN 24 1HD2 ASN 24 0.572 -17.440 -17.440 178 H GLN 25 H GLN 25 0.327 -13.777 -13.777 179 HA GLN 25 HA GLN 25 2.702 -12.689 -12.689 180 1HB GLN 25 2HB GLN 25 2.715 -13.999 -13.999 181 2HB GLN 25 1HB GLN 25 2.101 -12.525 -12.525 182 1HG GLN 25 2HG GLN 25 4.467 -12.491 -12.491 183 2HG GLN 25 1HG GLN 25 4.157 -11.318 -11.318 184 1HE2 GLN 25 2HE2 GLN 25 6.380 -13.026 -13.026 185 2HE2 GLN 25 1HE2 GLN 25 5.743 -11.540 -11.540 186 H ILE 26 H ILE 26 0.386 -11.383 -11.383 187 HA ILE 26 HA ILE 26 1.181 -8.676 -8.676 188 HB ILE 26 HB ILE 26 -1.130 -8.033 -8.033 189 1HG1 ILE 26 2HG1 ILE 26 -1.514 -11.057 -11.057 190 2HG1 ILE 26 1HG1 ILE 26 -2.471 -9.989 -9.989 191 1HG2 ILE 26 2HG2 ILE 26 0.893 -8.366 -8.366 192 2HG2 ILE 26 1HG2 ILE 26 0.416 -10.051 -10.051 193 3HG2 ILE 26 3HG2 ILE 26 -0.565 -8.702 -8.702 194 1HD1 ILE 26 3HD1 ILE 26 -3.151 -8.649 -8.649 195 2HD1 ILE 26 2HD1 ILE 26 -2.208 -9.682 -9.682 196 3HD1 ILE 26 1HD1 ILE 26 -3.569 -10.316 -10.316 197 H LYS 27 H LYS 27 -0.651 -10.745 -10.745 198 HA LYS 27 HA LYS 27 -2.155 -8.697 -8.697 199 1HB LYS 27 2HB LYS 27 -2.590 -11.187 -11.187 200 2HB LYS 27 1HB LYS 27 -1.133 -11.369 -11.369 201 1HG LYS 27 2HG LYS 27 -2.130 -9.715 -9.715 202 2HG LYS 27 1HG LYS 27 -3.614 -9.765 -9.765 203 1HD LYS 27 2HD LYS 27 -3.359 -12.386 -12.386 204 2HD LYS 27 1HD LYS 27 -2.207 -11.979 -11.979 205 1HE LYS 27 2HE LYS 27 -4.087 -10.494 -10.494 206 2HE LYS 27 1HE LYS 27 -5.153 -11.267 -11.267 207 1HZ LYS 27 3HZ LYS 27 -3.639 -13.262 -13.262 208 2HZ LYS 27 2HZ LYS 27 -4.261 -12.281 -12.281 209 3HZ LYS 27 1HZ LYS 27 -5.324 -12.997 -12.997 210 H ASN 28 H ASN 28 0.754 -10.471 -10.471 211 HA ASN 28 HA ASN 28 1.485 -8.798 -8.798 212 1HB ASN 28 2HB ASN 28 2.337 -11.136 -11.136 213 2HB ASN 28 1HB ASN 28 3.341 -10.526 -10.526 214 1HD2 ASN 28 2HD2 ASN 28 5.717 -9.184 -9.184 215 2HD2 ASN 28 1HD2 ASN 28 5.326 -9.546 -9.546 216 H GLN 29 H GLN 29 2.547 -8.928 -8.928 217 HA GLN 29 HA GLN 29 4.551 -6.945 -6.945 218 1HB GLN 29 2HB GLN 29 3.737 -8.657 -8.657 219 2HB GLN 29 1HB GLN 29 2.629 -7.374 -7.374 220 1HG GLN 29 2HG GLN 29 4.523 -5.835 -5.835 221 2HG GLN 29 1HG GLN 29 5.665 -7.093 -7.093 222 1HE2 GLN 29 2HE2 GLN 29 4.636 -7.103 -7.103 223 2HE2 GLN 29 1HE2 GLN 29 4.740 -5.706 -5.706 224 H LEU 30 H LEU 30 1.069 -6.706 -6.706 225 HA LEU 30 HA LEU 30 1.126 -3.843 -3.843 226 1HB LEU 30 2HB LEU 30 -0.640 -5.499 -5.499 227 2HB LEU 30 1HB LEU 30 -1.320 -5.434 -5.434 228 HG LEU 30 HG LEU 30 -1.131 -2.751 -2.751 229 1HD1 LEU 30 3HD1 LEU 30 0.117 -3.197 -3.197 230 2HD1 LEU 30 2HD1 LEU 30 -1.355 -3.965 -3.965 231 3HD1 LEU 30 1HD1 LEU 30 -1.319 -2.254 -2.254 232 1HD2 LEU 30 2HD2 LEU 30 -3.119 -4.621 -4.621 233 2HD2 LEU 30 1HD2 LEU 30 -3.201 -3.998 -3.998 234 3HD2 LEU 30 3HD2 LEU 30 -3.415 -2.917 -2.917 235 H ALA 31 H ALA 31 0.023 -5.863 -5.863 236 HA ALA 31 HA ALA 31 -1.078 -3.987 -3.987 237 1HB ALA 31 2HB ALA 31 -0.606 -6.373 -6.373 238 2HB ALA 31 1HB ALA 31 1.111 -5.981 -5.981 239 3HB ALA 31 3HB ALA 31 -0.050 -5.266 -5.266 240 H GLN 32 H GLN 32 2.320 -4.377 -4.377 241 HA GLN 32 HA GLN 32 3.333 -2.394 -2.394 242 1HB GLN 32 2HB GLN 32 4.711 -3.961 -3.961 243 2HB GLN 32 1HB GLN 32 4.299 -2.961 -2.961 244 1HG GLN 32 2HG GLN 32 5.386 -0.994 -0.994 245 2HG GLN 32 1HG GLN 32 5.989 -2.229 -2.229 246 1HE2 GLN 32 2HE2 GLN 32 8.088 -1.689 -1.689 247 2HE2 GLN 32 1HE2 GLN 32 7.097 -0.505 -0.505 248 H LEU 33 H LEU 33 2.240 -2.195 -2.195 249 HA LEU 33 HA LEU 33 2.377 0.670 0.670 250 1HB LEU 33 2HB LEU 33 0.930 -1.468 -1.468 251 2HB LEU 33 1HB LEU 33 0.610 0.226 0.226 252 HG LEU 33 HG LEU 33 3.108 0.613 0.613 253 1HD1 LEU 33 1HD1 LEU 33 3.897 -1.461 -1.461 254 2HD1 LEU 33 3HD1 LEU 33 3.233 -2.421 -2.421 255 3HD1 LEU 33 2HD1 LEU 33 4.566 -1.333 -1.333 256 1HD2 LEU 33 3HD2 LEU 33 1.612 0.509 0.509 257 2HD2 LEU 33 2HD2 LEU 33 3.168 -0.151 -0.151 258 3HD2 LEU 33 1HD2 LEU 33 1.830 -1.234 -1.234 259 H ASN 34 H ASN 34 -0.393 -1.585 -1.585 260 HA ASN 34 HA ASN 34 -2.363 0.350 0.350 261 1HB ASN 34 2HB ASN 34 -2.722 -2.093 -2.093 262 2HB ASN 34 1HB ASN 34 -1.812 -1.842 -1.842 263 1HD2 ASN 34 2HD2 ASN 34 -4.724 -0.854 -0.854 264 2HD2 ASN 34 1HD2 ASN 34 -3.276 -1.739 -1.739 265 H GLY 35 H GLY 35 0.061 -0.538 -0.538 266 1HA GLY 35 2HA GLY 35 -0.535 1.362 1.362 267 2HA GLY 35 1HA GLY 35 1.085 0.709 0.709 268 H SER 36 H SER 36 1.843 1.647 1.647 269 HA SER 36 HA SER 36 2.431 4.385 4.385 270 1HB SER 36 2HB SER 36 3.389 4.503 4.503 271 2HB SER 36 1HB SER 36 3.818 3.003 3.003 272 HG SER 36 HG SER 36 1.590 2.439 2.439 273 H ALA 37 H ALA 37 -0.078 3.029 3.029 274 HA ALA 37 HA ALA 37 -1.025 5.244 5.244 275 1HB ALA 37 2HB ALA 37 -1.953 2.859 2.859 276 2HB ALA 37 1HB ALA 37 -2.746 3.151 3.151 277 3HB ALA 37 3HB ALA 37 -3.189 4.099 4.099 278 H ASN 38 H ASN 38 -1.364 4.237 4.237 279 HA ASN 38 HA ASN 38 -3.010 6.643 6.643 280 1HB ASN 38 2HB ASN 38 -3.319 4.295 4.295 281 2HB ASN 38 1HB ASN 38 -1.917 4.620 4.620 282 1HD2 ASN 38 2HD2 ASN 38 -4.009 7.503 7.503 283 2HD2 ASN 38 1HD2 ASN 38 -2.623 7.585 7.585 284 H ALA 39 H ALA 39 0.226 5.454 5.454 285 HA ALA 39 HA ALA 39 0.935 7.877 7.877 286 1HB ALA 39 1HB ALA 39 1.871 5.552 5.552 287 2HB ALA 39 3HB ALA 39 2.642 5.446 5.446 288 3HB ALA 39 2HB ALA 39 3.193 6.639 6.639 289 H LEU 40 H LEU 40 2.368 6.341 6.341 290 HA LEU 40 HA LEU 40 4.005 8.435 8.435 291 1HB LEU 40 2HB LEU 40 4.062 6.425 6.425 292 2HB LEU 40 1HB LEU 40 2.339 6.375 6.375 293 HG LEU 40 HG LEU 40 3.906 6.978 6.978 294 1HD1 LEU 40 3HD1 LEU 40 1.337 8.508 8.508 295 2HD1 LEU 40 2HD1 LEU 40 2.100 8.321 8.321 296 3HD1 LEU 40 1HD1 LEU 40 1.547 6.908 6.908 297 1HD2 LEU 40 3HD2 LEU 40 3.546 9.702 9.702 298 2HD2 LEU 40 2HD2 LEU 40 5.083 8.945 8.945 299 3HD2 LEU 40 1HD2 LEU 40 4.016 9.400 9.400 300 H PHE 41 H PHE 41 0.559 7.885 7.885 301 HA PHE 41 HA PHE 41 -0.232 10.114 10.114 302 1HB PHE 41 2HB PHE 41 -1.979 8.677 8.677 303 2HB PHE 41 1HB PHE 41 -1.614 9.155 9.155 304 HD1 PHE 41 HD2 PHE 41 -1.811 11.520 11.520 305 HD2 PHE 41 HD1 PHE 41 -3.796 9.911 9.911 306 HE1 PHE 41 HE2 PHE 41 -3.567 13.230 13.230 307 HE2 PHE 41 HE1 PHE 41 -5.538 11.616 11.616 308 HZ PHE 41 HZ PHE 41 -5.383 13.299 13.299 309 H ILE 42 H ILE 42 0.202 10.208 10.208 310 HA ILE 42 HA ILE 42 -0.151 13.039 13.039 311 HB ILE 42 HB ILE 42 0.885 10.755 10.755 312 1HG1 ILE 42 2HG1 ILE 42 -0.953 11.386 11.386 313 2HG1 ILE 42 1HG1 ILE 42 -1.128 12.915 12.915 314 1HG2 ILE 42 3HG2 ILE 42 1.130 13.655 13.655 315 2HG2 ILE 42 2HG2 ILE 42 1.369 12.227 12.227 316 3HG2 ILE 42 1HG2 ILE 42 2.489 12.581 12.581 317 1HD1 ILE 42 3HD1 ILE 42 -1.681 11.563 11.563 318 2HD1 ILE 42 2HD1 ILE 42 -1.574 10.117 10.117 319 3HD1 ILE 42 1HD1 ILE 42 -2.684 11.400 11.400 320 H SER 43 H SER 43 2.396 11.146 11.146 321 HA SER 43 HA SER 43 4.503 13.069 13.069 322 1HB SER 43 2HB SER 43 4.933 10.619 10.619 323 2HB SER 43 1HB SER 43 4.751 10.207 10.207 324 HG SER 43 HG SER 43 6.487 12.165 12.165 325 H TYR 44 H TYR 44 2.654 12.065 12.065 326 HA TYR 44 HA TYR 44 4.427 13.003 13.003 327 1HB TYR 44 2HB TYR 44 3.340 11.212 11.212 328 2HB TYR 44 1HB TYR 44 1.967 11.274 11.274 329 HD1 TYR 44 HD2 TYR 44 3.364 12.437 12.437 330 HD2 TYR 44 HD1 TYR 44 -0.065 12.631 12.631 331 HE1 TYR 44 HE2 TYR 44 2.250 13.457 13.457 332 HE2 TYR 44 HE1 TYR 44 -1.179 13.605 13.605 333 HH TYR 44 HH TYR 44 0.127 15.134 15.134 334 H TYR 45 H TYR 45 1.112 13.545 13.545 335 HA TYR 45 HA TYR 45 0.973 16.069 16.069 336 1HB TYR 45 2HB TYR 45 -1.198 16.330 16.330 337 2HB TYR 45 1HB TYR 45 -1.093 14.611 14.611 338 HD1 TYR 45 HD1 TYR 45 -0.411 17.254 17.254 339 HD2 TYR 45 HD2 TYR 45 -2.045 13.355 13.355 340 HE1 TYR 45 HE1 TYR 45 -1.099 17.145 17.145 341 HE2 TYR 45 HE2 TYR 45 -2.742 13.308 13.308 342 HH TYR 45 HH TYR 45 -2.537 14.263 14.263 343 H THR 46 H THR 46 2.079 15.340 15.340 344 HA THR 46 HA THR 46 1.912 17.953 17.953 345 HB THR 46 HB THR 46 4.028 17.154 17.154 346 HG1 THR 46 HG1 THR 46 4.971 15.411 15.411 347 1HG2 THR 46 2HG2 THR 46 1.569 15.320 15.320 348 2HG2 THR 46 1HG2 THR 46 2.823 15.356 15.356 349 3HG2 THR 46 3HG2 THR 46 1.803 16.752 16.752 350 H ALA 47 H ALA 47 4.121 16.459 16.459 351 HA ALA 47 HA ALA 47 6.040 18.594 18.594 352 1HB ALA 47 3HB ALA 47 5.398 16.505 16.505 353 2HB ALA 47 2HB ALA 47 6.823 17.524 17.524 354 3HB ALA 47 1HB ALA 47 6.587 16.328 16.328 355 H GLN 48 H GLN 48 2.850 18.531 18.531 356 HA GLN 48 HA GLN 48 3.354 20.238 20.238 357 1HB GLN 48 2HB GLN 48 0.797 19.904 19.904 358 2HB GLN 48 1HB GLN 48 0.896 20.543 20.543 359 1HG GLN 48 2HG GLN 48 0.813 17.776 17.776 360 2HG GLN 48 1HG GLN 48 0.354 18.343 18.343 361 1HE2 GLN 48 2HE2 GLN 48 3.956 16.651 16.651 362 2HE2 GLN 48 1HE2 GLN 48 2.914 16.739 16.739 363 H GLY 49 H GLY 49 2.132 20.800 20.800 364 1HA GLY 49 2HA GLY 49 3.042 22.784 22.784 365 2HA GLY 49 1HA GLY 49 2.553 23.724 23.724 366 H GLU 50 H GLU 50 0.636 24.608 24.608 367 HA GLU 50 HA GLU 50 -1.571 22.969 22.969 368 1HB GLU 50 2HB GLU 50 -2.288 25.045 25.045 369 2HB GLU 50 1HB GLU 50 -0.939 24.099 24.099 370 1HG GLU 50 2HG GLU 50 0.634 25.777 25.777 371 2HG GLU 50 1HG GLU 50 -0.703 26.684 26.684 372 HA PRO 51 HA PRO 51 -4.004 24.366 24.366 373 1HB PRO 51 2HB PRO 51 -6.473 24.347 24.347 374 2HB PRO 51 1HB PRO 51 -5.660 25.891 25.891 375 1HG PRO 51 2HG PRO 51 -5.620 24.227 24.227 376 2HG PRO 51 1HG PRO 51 -6.144 25.917 25.917 377 1HD PRO 51 2HD PRO 51 -3.596 25.405 25.405 378 2HD PRO 51 1HD PRO 51 -3.881 26.671 26.671 379 H PHE 52 H PHE 52 -2.935 22.463 22.463 380 HA PHE 52 HA PHE 52 -4.219 20.187 20.187 381 1HB PHE 52 2HB PHE 52 -1.523 21.114 21.114 382 2HB PHE 52 1HB PHE 52 -1.415 19.649 19.649 383 HD1 PHE 52 HD1 PHE 52 -3.134 17.785 17.785 384 HD2 PHE 52 HD2 PHE 52 -1.429 20.768 20.768 385 HE1 PHE 52 HE1 PHE 52 -3.498 16.369 16.369 386 HE2 PHE 52 HE2 PHE 52 -1.799 19.317 19.317 387 HZ PHE 52 HZ PHE 52 -2.835 17.120 17.120 388 HA PRO 53 HA PRO 53 -2.913 18.018 18.018 389 1HB PRO 53 2HB PRO 53 -1.706 19.405 19.405 390 2HB PRO 53 1HB PRO 53 -0.731 18.708 18.708 391 1HG PRO 53 2HG PRO 53 -1.847 21.569 21.569 392 2HG PRO 53 1HG PRO 53 -0.169 21.075 21.075 393 1HD PRO 53 2HD PRO 53 -1.618 21.626 21.626 394 2HD PRO 53 1HD PRO 53 -0.652 20.136 20.136 395 H ASN 54 H ASN 54 -4.403 20.760 20.760 396 HA ASN 54 HA ASN 54 -6.242 20.499 20.499 397 1HB ASN 54 2HB ASN 54 -6.757 22.920 22.920 398 2HB ASN 54 1HB ASN 54 -5.063 22.649 22.649 399 1HD2 ASN 54 2HD2 ASN 54 -5.038 24.941 24.941 400 2HD2 ASN 54 1HD2 ASN 54 -5.449 24.979 24.979 401 H ASN 55 H ASN 55 -6.074 20.639 20.639 402 HA ASN 55 HA ASN 55 -9.043 20.168 20.168 403 1HB ASN 55 2HB ASN 55 -7.268 21.746 21.746 404 2HB ASN 55 1HB ASN 55 -8.950 21.342 21.342 405 1HD2 ASN 55 2HD2 ASN 55 -8.130 24.398 24.398 406 2HD2 ASN 55 1HD2 ASN 55 -6.861 23.420 23.420 407 H LEU 56 H LEU 56 -6.459 18.556 18.556 408 HA LEU 56 HA LEU 56 -6.304 17.211 17.211 409 1HB LEU 56 2HB LEU 56 -5.153 15.411 15.411 410 2HB LEU 56 1HB LEU 56 -4.748 16.836 16.836 411 HG LEU 56 HG LEU 56 -6.809 16.177 16.177 412 1HD1 LEU 56 1HD1 LEU 56 -7.599 14.249 14.249 413 2HD1 LEU 56 3HD1 LEU 56 -6.056 13.506 13.506 414 3HD1 LEU 56 2HD1 LEU 56 -7.180 13.719 13.719 415 1HD2 LEU 56 1HD2 LEU 56 -4.407 15.971 15.971 416 2HD2 LEU 56 3HD2 LEU 56 -5.424 14.701 14.701 417 3HD2 LEU 56 2HD2 LEU 56 -4.417 14.356 14.356 418 H ASP 57 H ASP 57 -8.472 17.008 17.008 419 HA ASP 57 HA ASP 57 -9.793 14.724 14.724 420 1HB ASP 57 2HB ASP 57 -10.864 17.083 17.083 421 2HB ASP 57 1HB ASP 57 -11.628 15.501 15.501 422 H LYS 58 H LYS 58 -10.280 17.988 17.988 423 HA LYS 58 HA LYS 58 -12.686 16.938 16.938 424 1HB LYS 58 2HB LYS 58 -12.908 18.945 18.945 425 2HB LYS 58 1HB LYS 58 -11.872 19.844 19.844 426 1HG LYS 58 2HG LYS 58 -13.560 19.279 19.279 427 2HG LYS 58 1HG LYS 58 -14.597 18.591 18.591 428 1HD LYS 58 2HD LYS 58 -13.630 21.478 21.478 429 2HD LYS 58 1HD LYS 58 -15.249 20.906 20.906 430 1HE LYS 58 2HE LYS 58 -15.522 20.153 20.153 431 2HE LYS 58 1HE LYS 58 -13.910 20.751 20.751 432 1HZ LYS 58 2HZ LYS 58 -15.343 22.822 22.822 433 2HZ LYS 58 1HZ LYS 58 -16.299 22.185 22.185 434 3HZ LYS 58 3HZ LYS 58 -14.748 22.761 22.761 435 H LEU 59 H LEU 59 -9.485 17.571 17.571 436 HA LEU 59 HA LEU 59 -9.701 18.119 18.119 437 1HB LEU 59 2HB LEU 59 -7.251 18.559 18.559 438 2HB LEU 59 1HB LEU 59 -7.602 19.221 19.221 439 HG LEU 59 HG LEU 59 -9.225 19.879 19.879 440 1HD1 LEU 59 1HD1 LEU 59 -6.961 21.411 21.411 441 2HD1 LEU 59 3HD1 LEU 59 -7.997 22.002 22.002 442 3HD1 LEU 59 2HD1 LEU 59 -6.964 20.610 20.610 443 1HD2 LEU 59 3HD2 LEU 59 -10.478 20.169 20.169 444 2HD2 LEU 59 2HD2 LEU 59 -10.115 21.696 21.696 445 3HD2 LEU 59 1HD2 LEU 59 -9.207 21.229 21.229 446 H CYS 60 H CYS 60 -8.409 16.053 16.053 447 HA CYS 60 HA CYS 60 -7.258 14.217 14.217 448 1HB CYS 60 2HB CYS 60 -5.986 15.020 15.020 449 2HB CYS 60 1HB CYS 60 -5.354 14.037 14.037 450 H GLY 61 H GLY 61 -9.828 13.851 13.851 451 1HA GLY 61 2HA GLY 61 -9.102 11.328 11.328 452 2HA GLY 61 1HA GLY 61 -10.115 12.497 12.497 453 HA PRO 62 HA PRO 62 -13.079 10.792 10.792 454 1HB PRO 62 2HB PRO 62 -12.639 10.309 10.309 455 2HB PRO 62 1HB PRO 62 -12.962 11.933 11.933 456 1HG PRO 62 2HG PRO 62 -10.328 10.725 10.725 457 2HG PRO 62 1HG PRO 62 -10.942 12.352 12.352 458 1HD PRO 62 2HD PRO 62 -9.188 11.391 11.391 459 2HD PRO 62 1HD PRO 62 -10.062 12.936 12.936 460 H ASN 63 H ASN 63 -13.943 9.021 9.021 461 HA ASN 63 HA ASN 63 -12.272 6.582 6.582 462 1HB ASN 63 2HB ASN 63 -13.926 7.119 7.119 463 2HB ASN 63 1HB ASN 63 -15.227 7.073 7.073 464 1HD2 ASN 63 2HD2 ASN 63 -15.522 3.622 3.622 465 2HD2 ASN 63 1HD2 ASN 63 -16.337 5.095 5.095 466 H VAL 64 H VAL 64 -14.301 8.248 8.248 467 HA VAL 64 HA VAL 64 -14.354 5.855 5.855 468 HB VAL 64 HB VAL 64 -16.563 7.977 7.977 469 1HG1 VAL 64 2HG1 VAL 64 -16.506 5.329 5.329 470 2HG1 VAL 64 1HG1 VAL 64 -17.890 6.404 6.404 471 3HG1 VAL 64 3HG1 VAL 64 -16.454 6.916 6.916 472 1HG2 VAL 64 3HG2 VAL 64 -16.476 5.097 5.097 473 2HG2 VAL 64 2HG2 VAL 64 -16.433 6.526 6.526 474 3HG2 VAL 64 1HG2 VAL 64 -17.871 6.161 6.161 475 H THR 65 H THR 65 -15.356 9.214 9.214 476 HA THR 65 HA THR 65 -14.475 10.647 10.647 477 HB THR 65 HB THR 65 -11.822 8.957 8.957 478 HG1 THR 65 HG1 THR 65 -13.158 10.344 10.344 479 1HG2 THR 65 2HG2 THR 65 -11.944 10.761 10.761 480 2HG2 THR 65 1HG2 THR 65 -12.201 11.909 11.909 481 3HG2 THR 65 3HG2 THR 65 -10.722 10.944 10.944 482 H ASP 66 H ASP 66 -12.451 9.147 9.147 483 HA ASP 66 HA ASP 66 -14.464 7.544 7.544 484 1HB ASP 66 2HB ASP 66 -13.320 8.369 8.369 485 2HB ASP 66 1HB ASP 66 -13.774 9.779 9.779 486 H PHE 67 H PHE 67 -12.105 7.182 7.182 487 HA PHE 67 HA PHE 67 -10.271 5.596 5.596 488 1HB PHE 67 2HB PHE 67 -9.119 5.423 5.423 489 2HB PHE 67 1HB PHE 67 -10.229 6.567 6.567 490 HD1 PHE 67 HD2 PHE 67 -12.532 5.297 5.297 491 HD2 PHE 67 HD1 PHE 67 -8.678 3.546 3.546 492 HE1 PHE 67 HE2 PHE 67 -13.225 3.653 3.653 493 HE2 PHE 67 HE1 PHE 67 -9.349 1.869 1.869 494 HZ PHE 67 HZ PHE 67 -11.656 1.907 1.907 495 HA PRO 68 HA PRO 68 -12.422 1.694 1.694 496 1HB PRO 68 2HB PRO 68 -10.603 -0.083 -0.083 497 2HB PRO 68 1HB PRO 68 -10.583 0.413 0.413 498 1HG PRO 68 2HG PRO 68 -9.091 1.657 1.657 499 2HG PRO 68 1HG PRO 68 -8.441 1.261 1.261 500 1HD PRO 68 2HD PRO 68 -9.120 3.808 3.808 501 2HD PRO 68 1HD PRO 68 -9.713 3.122 3.122 502 HA PRO 69 HA PRO 69 -14.226 1.706 1.706 503 1HB PRO 69 2HB PRO 69 -16.736 0.867 0.867 504 2HB PRO 69 1HB PRO 69 -16.194 2.512 2.512 505 1HG PRO 69 2HG PRO 69 -16.113 0.060 0.060 506 2HG PRO 69 1HG PRO 69 -16.872 1.622 1.622 507 1HD PRO 69 2HD PRO 69 -14.359 1.118 1.118 508 2HD PRO 69 1HD PRO 69 -14.714 2.735 2.735 509 H PHE 70 H PHE 70 -12.539 0.089 0.089 510 HA PHE 70 HA PHE 70 -12.582 -2.611 -2.611 511 1HB PHE 70 2HB PHE 70 -10.715 -1.169 -1.169 512 2HB PHE 70 1HB PHE 70 -11.562 -1.302 -1.302 513 HD1 PHE 70 HD1 PHE 70 -12.253 -3.890 -3.890 514 HD2 PHE 70 HD2 PHE 70 -9.024 -2.678 -2.678 515 HE1 PHE 70 HE1 PHE 70 -11.164 -6.043 -6.043 516 HE2 PHE 70 HE2 PHE 70 -7.949 -4.832 -4.832 517 HZ PHE 70 HZ PHE 70 -8.971 -6.506 -6.506 518 H HIS 71 H HIS 71 -14.364 -4.001 -4.001 519 HA HIS 71 HA HIS 71 -15.400 -3.631 -3.631 520 1HB HIS 71 2HB HIS 71 -16.850 -2.421 -2.421 521 2HB HIS 71 1HB HIS 71 -17.189 -3.956 -3.956 522 HD1 HIS 71 HD1 HIS 71 -19.532 -2.624 -2.624 523 HD2 HIS 71 HD2 HIS 71 -17.238 -5.106 -5.106 524 HE1 HIS 71 HE1 HIS 71 -20.958 -3.366 -3.366 525 H ALA 72 H ALA 72 -14.321 -5.414 -5.414 526 HA ALA 72 HA ALA 72 -13.941 -7.866 -7.866 527 1HB ALA 72 1HB ALA 72 -13.104 -7.319 -7.319 528 2HB ALA 72 3HB ALA 72 -14.769 -7.428 -7.428 529 3HB ALA 72 2HB ALA 72 -13.973 -8.862 -8.862 530 H ASN 73 H ASN 73 -15.708 -8.260 -8.260 531 HA ASN 73 HA ASN 73 -18.276 -8.910 -8.910 532 1HB ASN 73 2HB ASN 73 -17.489 -8.349 -8.349 533 2HB ASN 73 1HB ASN 73 -18.956 -9.258 -9.258 534 1HD2 ASN 73 2HD2 ASN 73 -18.999 -5.302 -5.302 535 2HD2 ASN 73 1HD2 ASN 73 -17.559 -6.057 -6.057 536 H GLY 74 H GLY 74 -15.825 -10.497 -10.497 537 1HA GLY 74 2HA GLY 74 -15.461 -12.836 -12.836 538 2HA GLY 74 1HA GLY 74 -17.112 -13.119 -13.119 539 H THR 75 H THR 75 -14.418 -11.458 -11.458 540 HA THR 75 HA THR 75 -14.036 -13.700 -13.700 541 HB THR 75 HB THR 75 -13.987 -11.095 -11.095 542 HG1 THR 75 HG1 THR 75 -15.807 -10.370 -10.370 543 1HG2 THR 75 2HG2 THR 75 -15.736 -13.579 -13.579 544 2HG2 THR 75 1HG2 THR 75 -15.561 -12.433 -12.433 545 3HG2 THR 75 3HG2 THR 75 -14.195 -13.452 -13.452 546 H GLU 76 H GLU 76 -12.085 -14.244 -14.244 547 HA GLU 76 HA GLU 76 -9.947 -12.828 -12.828 548 1HB GLU 76 2HB GLU 76 -9.243 -14.614 -14.614 549 2HB GLU 76 1HB GLU 76 -8.544 -14.570 -14.570 550 1HG GLU 76 2HG GLU 76 -9.656 -16.605 -16.605 551 2HG GLU 76 1HG GLU 76 -10.953 -15.580 -15.580 552 H LYS 77 H LYS 77 -10.785 -13.118 -13.118 553 HA LYS 77 HA LYS 77 -8.811 -11.286 -11.286 554 1HB LYS 77 2HB LYS 77 -10.205 -10.656 -10.656 555 2HB LYS 77 1HB LYS 77 -10.111 -12.364 -12.364 556 1HG LYS 77 2HG LYS 77 -12.431 -12.445 -12.445 557 2HG LYS 77 1HG LYS 77 -12.546 -10.696 -10.696 558 1HD LYS 77 2HD LYS 77 -12.012 -12.324 -12.324 559 2HD LYS 77 1HD LYS 77 -13.632 -11.938 -11.938 560 1HE LYS 77 2HE LYS 77 -11.436 -9.824 -9.824 561 2HE LYS 77 1HE LYS 77 -12.469 -10.396 -10.396 562 1HZ LYS 77 2HZ LYS 77 -14.131 -9.720 -9.720 563 2HZ LYS 77 1HZ LYS 77 -13.036 -8.434 -8.434 564 3HZ LYS 77 3HZ LYS 77 -13.962 -8.967 -8.967 565 H ALA 78 H ALA 78 -12.090 -10.581 -10.581 566 HA ALA 78 HA ALA 78 -11.841 -7.770 -7.770 567 1HB ALA 78 3HB ALA 78 -13.286 -9.055 -9.055 568 2HB ALA 78 2HB ALA 78 -13.533 -7.414 -7.414 569 3HB ALA 78 1HB ALA 78 -14.012 -8.765 -8.765 570 H LYS 79 H LYS 79 -11.081 -9.568 -9.568 571 HA LYS 79 HA LYS 79 -10.049 -7.535 -7.535 572 1HB LYS 79 2HB LYS 79 -9.281 -10.471 -10.471 573 2HB LYS 79 1HB LYS 79 -8.854 -9.438 -9.438 574 1HG LYS 79 2HG LYS 79 -11.157 -9.105 -9.105 575 2HG LYS 79 1HG LYS 79 -11.769 -9.588 -9.588 576 1HD LYS 79 2HD LYS 79 -12.218 -11.211 -11.211 577 2HD LYS 79 1HD LYS 79 -11.382 -11.912 -11.912 578 1HE LYS 79 2HE LYS 79 -9.414 -12.238 -12.238 579 2HE LYS 79 1HE LYS 79 -9.681 -10.879 -10.879 580 1HZ LYS 79 3HZ LYS 79 -11.764 -12.771 -12.771 581 2HZ LYS 79 2HZ LYS 79 -10.259 -13.553 -13.553 582 3HZ LYS 79 1HZ LYS 79 -10.540 -12.200 -12.200 583 H LEU 80 H LEU 80 -8.321 -9.596 -9.596 584 HA LEU 80 HA LEU 80 -5.761 -8.277 -8.277 585 1HB LEU 80 2HB LEU 80 -6.840 -10.499 -10.499 586 2HB LEU 80 1HB LEU 80 -5.267 -9.848 -9.848 587 HG LEU 80 HG LEU 80 -4.483 -10.346 -10.346 588 1HD1 LEU 80 3HD1 LEU 80 -6.630 -10.160 -10.160 589 2HD1 LEU 80 2HD1 LEU 80 -7.208 -11.628 -11.628 590 3HD1 LEU 80 1HD1 LEU 80 -5.839 -11.681 -11.681 591 1HD2 LEU 80 3HD2 LEU 80 -5.828 -12.735 -12.735 592 2HD2 LEU 80 2HD2 LEU 80 -4.232 -12.097 -12.097 593 3HD2 LEU 80 1HD2 LEU 80 -4.553 -12.801 -12.801 594 H VAL 81 H VAL 81 -8.180 -8.086 -8.086 595 HA VAL 81 HA VAL 81 -6.575 -6.359 -6.359 596 HB VAL 81 HB VAL 81 -9.583 -7.040 -7.040 597 1HG1 VAL 81 2HG1 VAL 81 -9.130 -4.867 -4.867 598 2HG1 VAL 81 1HG1 VAL 81 -7.907 -5.669 -5.669 599 3HG1 VAL 81 3HG1 VAL 81 -9.582 -6.139 -6.139 600 1HG2 VAL 81 2HG2 VAL 81 -8.031 -8.927 -8.927 601 2HG2 VAL 81 1HG2 VAL 81 -8.931 -8.515 -8.515 602 3HG2 VAL 81 3HG2 VAL 81 -7.257 -8.004 -8.004 603 H GLU 82 H GLU 82 -9.497 -5.786 -5.786 604 HA GLU 82 HA GLU 82 -9.497 -2.989 -2.989 605 1HB GLU 82 2HB GLU 82 -10.312 -4.465 -4.465 606 2HB GLU 82 1HB GLU 82 -10.704 -2.790 -2.790 607 1HG GLU 82 2HG GLU 82 -11.665 -5.162 -5.162 608 2HG GLU 82 1HG GLU 82 -12.600 -4.427 -4.427 609 H LEU 83 H LEU 83 -7.711 -5.108 -5.108 610 HA LEU 83 HA LEU 83 -6.401 -3.071 -3.071 611 1HB LEU 83 2HB LEU 83 -6.006 -5.376 -5.376 612 2HB LEU 83 1HB LEU 83 -5.538 -5.902 -5.902 613 HG LEU 83 HG LEU 83 -3.443 -4.361 -4.361 614 1HD1 LEU 83 3HD1 LEU 83 -4.375 -2.944 -2.944 615 2HD1 LEU 83 2HD1 LEU 83 -4.392 -4.358 -4.358 616 3HD1 LEU 83 1HD1 LEU 83 -2.866 -3.705 -3.705 617 1HD2 LEU 83 2HD2 LEU 83 -3.374 -6.813 -6.813 618 2HD2 LEU 83 1HD2 LEU 83 -2.274 -5.998 -5.998 619 3HD2 LEU 83 3HD2 LEU 83 -3.796 -6.627 -6.627 620 H TYR 84 H TYR 84 -5.233 -4.961 -4.961 621 HA TYR 84 HA TYR 84 -3.068 -3.687 -3.687 622 1HB TYR 84 2HB TYR 84 -4.118 -5.743 -5.743 623 2HB TYR 84 1HB TYR 84 -5.145 -4.776 -4.776 624 HD1 TYR 84 HD2 TYR 84 -3.572 -2.714 -2.714 625 HD2 TYR 84 HD1 TYR 84 -2.325 -6.590 -6.590 626 HE1 TYR 84 HE2 TYR 84 -1.808 -2.522 -2.522 627 HE2 TYR 84 HE1 TYR 84 -0.569 -6.491 -6.491 628 HH TYR 84 HH TYR 84 0.909 -4.129 -4.129 629 H ARG 85 H ARG 85 -5.769 -3.181 -3.181 630 HA ARG 85 HA ARG 85 -5.208 -0.750 -0.750 631 1HB ARG 85 2HB ARG 85 -7.496 -1.885 -1.885 632 2HB ARG 85 1HB ARG 85 -7.994 -1.120 -1.120 633 1HG ARG 85 2HG ARG 85 -7.579 1.140 1.140 634 2HG ARG 85 1HG ARG 85 -6.770 0.502 0.502 635 1HD ARG 85 2HD ARG 85 -9.714 0.273 0.273 636 2HD ARG 85 1HD ARG 85 -8.987 1.267 1.267 637 HE ARG 85 HE ARG 85 -8.030 -1.124 -1.124 638 1HH1 ARG 85 2HH1 ARG 85 -11.214 -0.368 -0.368 639 2HH1 ARG 85 1HH1 ARG 85 -11.927 -1.652 -1.652 640 1HH2 ARG 85 1HH2 ARG 85 -8.875 -2.767 -2.767 641 2HH2 ARG 85 2HH2 ARG 85 -10.535 -3.038 -3.038 642 H MET 86 H MET 86 -6.562 -1.060 -1.060 643 HA MET 86 HA MET 86 -6.711 1.660 1.660 644 1HB MET 86 2HB MET 86 -7.722 0.022 0.022 645 2HB MET 86 1HB MET 86 -6.178 -0.646 -0.646 646 1HG MET 86 2HG MET 86 -5.890 2.116 2.116 647 2HG MET 86 1HG MET 86 -7.532 1.757 1.757 648 1HE MET 86 1HE MET 86 -4.296 -0.028 -0.028 649 2HE MET 86 3HE MET 86 -3.768 1.321 1.321 650 3HE MET 86 2HE MET 86 -3.877 -0.326 -0.326 651 H VAL 87 H VAL 87 -4.029 -0.546 -0.546 652 HA VAL 87 HA VAL 87 -2.244 1.356 1.356 653 HB VAL 87 HB VAL 87 -1.999 -1.262 -1.262 654 1HG1 VAL 87 3HG1 VAL 87 0.130 0.201 0.201 655 2HG1 VAL 87 2HG1 VAL 87 0.313 -1.459 -1.459 656 3HG1 VAL 87 1HG1 VAL 87 0.133 -0.135 -0.135 657 1HG2 VAL 87 2HG2 VAL 87 -1.920 -0.750 -0.750 658 2HG2 VAL 87 1HG2 VAL 87 -3.160 -1.605 -1.605 659 3HG2 VAL 87 3HG2 VAL 87 -1.572 -2.297 -2.297 660 H ALA 88 H ALA 88 -2.428 -0.322 -0.322 661 HA ALA 88 HA ALA 88 -0.506 0.832 0.832 662 1HB ALA 88 1HB ALA 88 -3.380 0.188 0.188 663 2HB ALA 88 3HB ALA 88 -2.102 0.290 0.290 664 3HB ALA 88 2HB ALA 88 -2.032 -0.924 -0.924 665 H TYR 89 H TYR 89 -3.741 2.243 2.243 666 HA TYR 89 HA TYR 89 -2.821 4.763 4.763 667 1HB TYR 89 2HB TYR 89 -5.059 5.574 5.574 668 2HB TYR 89 1HB TYR 89 -5.418 3.861 3.861 669 HD1 TYR 89 HD2 TYR 89 -4.952 6.905 6.905 670 HD2 TYR 89 HD1 TYR 89 -6.408 2.931 2.931 671 HE1 TYR 89 HE2 TYR 89 -5.979 7.220 7.220 672 HE2 TYR 89 HE1 TYR 89 -7.428 3.280 3.280 673 HH TYR 89 HH TYR 89 -6.607 5.580 5.580 674 H LEU 90 H LEU 90 -3.707 3.864 3.864 675 HA LEU 90 HA LEU 90 -3.056 6.266 6.266 676 1HB LEU 90 2HB LEU 90 -4.081 4.298 4.298 677 2HB LEU 90 1HB LEU 90 -2.607 3.384 3.384 678 HG LEU 90 HG LEU 90 -3.203 4.376 4.376 679 1HD1 LEU 90 2HD1 LEU 90 -0.365 4.693 4.693 680 2HD1 LEU 90 1HD1 LEU 90 -0.795 4.714 4.714 681 3HD1 LEU 90 3HD1 LEU 90 -1.067 3.283 3.283 682 1HD2 LEU 90 3HD2 LEU 90 -3.750 6.593 6.593 683 2HD2 LEU 90 2HD2 LEU 90 -2.433 6.687 6.687 684 3HD2 LEU 90 1HD2 LEU 90 -2.119 6.900 6.900 685 H SER 91 H SER 91 -0.863 3.518 3.518 686 HA SER 91 HA SER 91 1.509 4.812 4.812 687 1HB SER 91 2HB SER 91 1.089 2.641 2.641 688 2HB SER 91 1HB SER 91 2.717 3.205 3.205 689 HG SER 91 HG SER 91 2.552 2.188 2.188 690 H ALA 92 H ALA 92 0.285 4.672 4.672 691 HA ALA 92 HA ALA 92 2.215 6.141 6.141 692 1HB ALA 92 3HB ALA 92 0.129 5.280 5.280 693 2HB ALA 92 2HB ALA 92 -0.804 6.534 6.534 694 3HB ALA 92 1HB ALA 92 0.411 6.971 6.971 695 H SER 93 H SER 93 -0.484 7.501 7.501 696 HA SER 93 HA SER 93 0.248 10.236 10.236 697 1HB SER 93 2HB SER 93 -1.045 9.125 9.125 698 2HB SER 93 1HB SER 93 -1.429 10.649 10.649 699 HG SER 93 HG SER 93 -2.667 9.541 9.541 700 H LEU 94 H LEU 94 0.905 8.022 8.022 701 HA LEU 94 HA LEU 94 2.551 9.517 9.517 702 1HB LEU 94 2HB LEU 94 2.548 6.586 6.586 703 2HB LEU 94 1HB LEU 94 3.836 7.188 7.188 704 HG LEU 94 HG LEU 94 2.202 7.933 7.933 705 1HD1 LEU 94 2HD1 LEU 94 0.064 6.571 6.571 706 2HD1 LEU 94 1HD1 LEU 94 -0.129 7.172 7.172 707 3HD1 LEU 94 3HD1 LEU 94 0.148 8.289 8.289 708 1HD2 LEU 94 1HD2 LEU 94 1.900 5.012 5.012 709 2HD2 LEU 94 3HD2 LEU 94 3.198 5.666 5.666 710 3HD2 LEU 94 2HD2 LEU 94 1.552 5.643 5.643 711 H THR 95 H THR 95 3.292 8.030 8.030 712 HA THR 95 HA THR 95 6.140 8.620 8.620 713 HB THR 95 HB THR 95 4.313 7.641 7.641 714 HG1 THR 95 HG1 THR 95 6.606 6.372 6.372 715 1HG2 THR 95 1HG2 THR 95 7.327 8.369 8.369 716 2HG2 THR 95 3HG2 THR 95 6.445 7.626 7.626 717 3HG2 THR 95 2HG2 THR 95 6.126 9.277 9.277 718 H ASN 96 H ASN 96 3.577 10.119 10.119 719 HA ASN 96 HA ASN 96 5.247 12.163 12.163 720 1HB ASN 96 2HB ASN 96 2.291 12.068 12.068 721 2HB ASN 96 1HB ASN 96 2.988 13.653 13.653 722 1HD2 ASN 96 2HD2 ASN 96 2.312 11.295 11.295 723 2HD2 ASN 96 1HD2 ASN 96 1.531 11.184 11.184 724 H ILE 97 H ILE 97 3.404 12.133 12.133 725 HA ILE 97 HA ILE 97 3.969 14.566 14.566 726 HB ILE 97 HB ILE 97 3.753 11.706 11.706 727 1HG1 ILE 97 2HG1 ILE 97 1.849 14.059 14.059 728 2HG1 ILE 97 1HG1 ILE 97 1.839 12.832 12.832 729 1HG2 ILE 97 3HG2 ILE 97 5.034 13.112 13.112 730 2HG2 ILE 97 2HG2 ILE 97 3.703 14.255 14.255 731 3HG2 ILE 97 1HG2 ILE 97 3.455 12.638 12.638 732 1HD1 ILE 97 2HD1 ILE 97 1.385 11.090 11.090 733 2HD1 ILE 97 1HD1 ILE 97 1.395 12.323 12.323 734 3HD1 ILE 97 3HD1 ILE 97 0.185 12.348 12.348 735 H THR 98 H THR 98 5.800 11.679 11.679 736 HA THR 98 HA THR 98 8.000 12.555 12.555 737 HB THR 98 HB THR 98 7.603 10.446 10.446 738 HG1 THR 98 HG1 THR 98 6.671 9.758 9.758 739 1HG2 THR 98 3HG2 THR 98 10.141 10.817 10.817 740 2HG2 THR 98 2HG2 THR 98 9.986 10.435 10.435 741 3HG2 THR 98 1HG2 THR 98 9.555 9.249 9.249 742 H ARG 99 H ARG 99 7.755 12.669 12.669 743 HA ARG 99 HA ARG 99 10.304 13.801 13.801 744 1HB ARG 99 2HB ARG 99 7.777 14.210 14.210 745 2HB ARG 99 1HB ARG 99 9.409 14.393 14.393 746 1HG ARG 99 2HG ARG 99 9.825 12.001 12.001 747 2HG ARG 99 1HG ARG 99 8.364 11.739 11.739 748 1HD ARG 99 2HD ARG 99 7.986 11.057 11.057 749 2HD ARG 99 1HD ARG 99 6.972 12.422 12.422 750 HE ARG 99 HE ARG 99 9.548 12.985 12.985 751 1HH1 ARG 99 2HH1 ARG 99 6.016 12.892 12.892 752 2HH1 ARG 99 1HH1 ARG 99 6.014 13.848 13.848 753 1HH2 ARG 99 1HH2 ARG 99 9.492 14.244 14.244 754 2HH2 ARG 99 2HH2 ARG 99 8.008 14.619 14.619 755 H ASP 100 H ASP 100 7.246 15.223 15.223 756 HA ASP 100 HA ASP 100 8.042 18.009 18.009 757 1HB ASP 100 2HB ASP 100 5.894 16.670 16.670 758 2HB ASP 100 1HB ASP 100 5.365 16.922 16.922 759 H GLN 101 H GLN 101 7.393 15.840 15.840 760 HA GLN 101 HA GLN 101 7.160 18.031 18.031 761 1HB GLN 101 2HB GLN 101 6.387 15.298 15.298 762 2HB GLN 101 1HB GLN 101 7.710 15.307 15.307 763 1HG GLN 101 2HG GLN 101 6.132 15.940 15.940 764 2HG GLN 101 1HG GLN 101 6.160 17.526 17.526 765 1HE2 GLN 101 2HE2 GLN 101 2.705 15.799 15.799 766 2HE2 GLN 101 1HE2 GLN 101 3.838 15.572 15.572 767 H LYS 102 H LYS 102 9.569 15.492 15.492 768 HA LYS 102 HA LYS 102 11.423 16.322 16.322 769 1HB LYS 102 2HB LYS 102 13.032 14.982 14.982 770 2HB LYS 102 1HB LYS 102 11.503 14.275 14.275 771 1HG LYS 102 2HG LYS 102 11.576 15.477 15.477 772 2HG LYS 102 1HG LYS 102 13.104 16.256 16.256 773 1HD LYS 102 2HD LYS 102 14.070 13.893 13.893 774 2HD LYS 102 1HD LYS 102 12.654 13.263 13.263 775 1HE LYS 102 2HE LYS 102 14.742 15.182 15.182 776 2HE LYS 102 1HE LYS 102 14.407 13.550 13.550 777 1HZ LYS 102 3HZ LYS 102 11.988 15.043 15.043 778 2HZ LYS 102 2HZ LYS 102 13.191 15.956 15.956 779 3HZ LYS 102 1HZ LYS 102 12.861 14.406 14.406 780 H VAL 103 H VAL 103 10.436 17.677 17.677 781 HA VAL 103 HA VAL 103 12.718 19.617 19.617 782 HB VAL 103 HB VAL 103 10.468 19.256 19.256 783 1HG1 VAL 103 2HG1 VAL 103 13.041 20.911 20.911 784 2HG1 VAL 103 1HG1 VAL 103 11.886 20.699 20.699 785 3HG1 VAL 103 3HG1 VAL 103 11.426 21.576 21.576 786 1HG2 VAL 103 1HG2 VAL 103 13.407 18.419 18.419 787 2HG2 VAL 103 3HG2 VAL 103 12.026 17.350 17.350 788 3HG2 VAL 103 2HG2 VAL 103 12.241 18.220 18.220 789 H LEU 104 H LEU 104 9.239 19.590 19.590 790 HA LEU 104 HA LEU 104 9.170 22.513 22.513 791 1HB LEU 104 2HB LEU 104 7.211 21.091 21.091 792 2HB LEU 104 1HB LEU 104 7.121 20.471 20.471 793 HG LEU 104 HG LEU 104 7.034 23.489 23.489 794 1HD1 LEU 104 2HD1 LEU 104 5.475 22.567 22.567 795 2HD1 LEU 104 1HD1 LEU 104 4.671 21.611 21.611 796 3HD1 LEU 104 3HD1 LEU 104 4.592 23.371 23.371 797 1HD2 LEU 104 1HD2 LEU 104 5.477 21.533 21.533 798 2HD2 LEU 104 3HD2 LEU 104 6.906 22.417 22.417 799 3HD2 LEU 104 2HD2 LEU 104 5.447 23.286 23.286 800 H ASN 105 H ASN 105 9.401 19.992 19.992 801 HA ASN 105 HA ASN 105 9.912 22.195 22.195 802 1HB ASN 105 2HB ASN 105 7.724 20.347 20.347 803 2HB ASN 105 1HB ASN 105 8.728 19.975 19.975 804 1HD2 ASN 105 2HD2 ASN 105 7.838 22.924 22.924 805 2HD2 ASN 105 1HD2 ASN 105 8.811 21.528 21.528 806 HA PRO 106 HA PRO 106 13.695 20.020 20.020 807 1HB PRO 106 2HB PRO 106 14.546 21.419 21.419 808 2HB PRO 106 1HB PRO 106 14.558 22.116 22.116 809 1HG PRO 106 2HG PRO 106 12.348 22.376 22.376 810 2HG PRO 106 1HG PRO 106 13.188 23.686 23.686 811 1HD PRO 106 2HD PRO 106 10.825 22.842 22.842 812 2HD PRO 106 1HD PRO 106 12.130 23.143 23.143 813 H SER 107 H SER 107 10.951 19.918 19.918 814 HA SER 107 HA SER 107 11.909 18.052 18.052 815 1HB SER 107 2HB SER 107 9.371 18.492 18.492 816 2HB SER 107 1HB SER 107 10.486 19.863 19.863 817 HG SER 107 HG SER 107 8.387 19.597 19.597 818 H ALA 108 H ALA 108 9.605 18.574 18.574 819 HA ALA 108 HA ALA 108 8.240 16.202 16.202 820 1HB ALA 108 1HB ALA 108 9.330 17.948 17.948 821 2HB ALA 108 3HB ALA 108 8.114 16.715 16.715 822 3HB ALA 108 2HB ALA 108 7.767 18.129 18.129 823 H VAL 109 H VAL 109 11.408 17.150 17.150 824 HA VAL 109 HA VAL 109 12.260 15.096 15.096 825 HB VAL 109 HB VAL 109 14.543 15.379 15.379 826 1HG1 VAL 109 3HG1 VAL 109 13.077 18.041 18.041 827 2HG1 VAL 109 2HG1 VAL 109 14.813 17.853 17.853 828 3HG1 VAL 109 1HG1 VAL 109 13.739 17.235 17.235 829 1HG2 VAL 109 2HG2 VAL 109 13.367 16.730 16.730 830 2HG2 VAL 109 1HG2 VAL 109 14.282 15.233 15.233 831 3HG2 VAL 109 3HG2 VAL 109 15.064 16.746 16.746 832 H SER 110 H SER 110 12.001 15.061 15.061 833 HA SER 110 HA SER 110 13.025 12.350 12.350 834 1HB SER 110 2HB SER 110 12.884 14.255 14.255 835 2HB SER 110 1HB SER 110 11.158 13.892 13.892 836 HG SER 110 HG SER 110 11.778 12.258 12.258 837 H LEU 111 H LEU 111 9.877 13.847 13.847 838 HA LEU 111 HA LEU 111 8.132 11.695 11.695 839 1HB LEU 111 2HB LEU 111 7.018 13.703 13.703 840 2HB LEU 111 1HB LEU 111 7.965 14.299 14.299 841 HG LEU 111 HG LEU 111 5.687 12.298 12.298 842 1HD1 LEU 111 1HD1 LEU 111 5.878 15.321 15.321 843 2HD1 LEU 111 3HD1 LEU 111 4.475 14.319 14.319 844 3HD1 LEU 111 2HD1 LEU 111 5.016 14.528 14.528 845 1HD2 LEU 111 2HD2 LEU 111 7.196 14.015 14.015 846 2HD2 LEU 111 1HD2 LEU 111 7.186 12.271 12.271 847 3HD2 LEU 111 3HD2 LEU 111 5.735 13.116 13.116 848 H HIS 112 H HIS 112 9.556 12.738 12.738 849 HA HIS 112 HA HIS 112 8.346 10.689 10.689 850 1HB HIS 112 2HB HIS 112 9.381 11.672 11.672 851 2HB HIS 112 1HB HIS 112 9.790 12.933 12.933 852 HD1 HIS 112 HD1 HIS 112 11.631 9.670 9.670 853 HD2 HIS 112 HD2 HIS 112 12.189 13.646 13.646 854 HE1 HIS 112 HE1 HIS 112 14.028 10.073 10.073 855 H SER 113 H SER 113 11.660 10.777 10.777 856 HA SER 113 HA SER 113 12.633 8.336 8.336 857 1HB SER 113 2HB SER 113 13.857 9.726 9.726 858 2HB SER 113 1HB SER 113 12.672 9.283 9.283 859 HG SER 113 HG SER 113 13.494 7.331 7.331 860 H LYS 114 H LYS 114 10.413 8.838 8.838 861 HA LYS 114 HA LYS 114 9.855 6.119 6.119 862 1HB LYS 114 2HB LYS 114 9.146 8.418 8.418 863 2HB LYS 114 1HB LYS 114 7.735 8.327 8.327 864 1HG LYS 114 2HG LYS 114 7.231 7.337 7.337 865 2HG LYS 114 1HG LYS 114 7.126 6.155 6.155 866 1HD LYS 114 2HD LYS 114 9.087 5.032 5.032 867 2HD LYS 114 1HD LYS 114 9.808 6.403 6.403 868 1HE LYS 114 2HE LYS 114 7.446 4.753 4.753 869 2HE LYS 114 1HE LYS 114 9.091 4.627 4.627 870 1HZ LYS 114 3HZ LYS 114 8.314 7.361 7.361 871 2HZ LYS 114 2HZ LYS 114 7.143 6.458 6.458 872 3HZ LYS 114 1HZ LYS 114 8.766 6.352 6.352 873 H LEU 115 H LEU 115 8.014 8.348 8.348 874 HA LEU 115 HA LEU 115 6.084 6.577 6.577 875 1HB LEU 115 2HB LEU 115 7.485 8.829 8.829 876 2HB LEU 115 1HB LEU 115 6.020 8.030 8.030 877 HG LEU 115 HG LEU 115 6.292 9.666 9.666 878 1HD1 LEU 115 2HD1 LEU 115 4.748 10.200 10.200 879 2HD1 LEU 115 1HD1 LEU 115 4.691 11.200 11.200 880 3HD1 LEU 115 3HD1 LEU 115 6.183 11.044 11.044 881 1HD2 LEU 115 3HD2 LEU 115 3.910 8.174 8.174 882 2HD2 LEU 115 2HD2 LEU 115 4.697 7.822 7.822 883 3HD2 LEU 115 1HD2 LEU 115 3.792 9.314 9.314 884 H ASN 116 H ASN 116 9.384 7.097 7.097 885 HA ASN 116 HA ASN 116 9.468 5.540 5.540 886 1HB ASN 116 2HB ASN 116 11.548 5.457 5.457 887 2HB ASN 116 1HB ASN 116 11.758 4.734 4.734 888 1HD2 ASN 116 2HD2 ASN 116 13.064 7.744 7.744 889 2HD2 ASN 116 1HD2 ASN 116 13.088 6.042 6.042 890 H ALA 117 H ALA 117 9.806 4.556 4.556 891 HA ALA 117 HA ALA 117 9.926 1.791 1.791 892 1HB ALA 117 3HB ALA 117 10.321 2.528 2.528 893 2HB ALA 117 2HB ALA 117 8.615 2.957 2.957 894 3HB ALA 117 1HB ALA 117 9.081 1.279 1.279 895 H THR 118 H THR 118 6.962 3.560 3.560 896 HA THR 118 HA THR 118 5.133 1.453 1.453 897 HB THR 118 HB THR 118 3.523 3.557 3.557 898 HG1 THR 118 HG1 THR 118 5.718 4.595 4.595 899 1HG2 THR 118 3HG2 THR 118 3.480 2.438 2.438 900 2HG2 THR 118 2HG2 THR 118 4.836 3.477 3.477 901 3HG2 THR 118 1HG2 THR 118 3.283 4.171 4.171 902 H ILE 119 H ILE 119 6.666 3.342 3.342 903 HA ILE 119 HA ILE 119 4.884 2.485 2.485 904 HB ILE 119 HB ILE 119 7.599 3.871 3.871 905 1HG1 ILE 119 2HG1 ILE 119 4.918 5.253 5.253 906 2HG1 ILE 119 1HG1 ILE 119 5.503 5.095 5.095 907 1HG2 ILE 119 3HG2 ILE 119 6.983 2.756 2.756 908 2HG2 ILE 119 2HG2 ILE 119 5.434 3.574 3.574 909 3HG2 ILE 119 1HG2 ILE 119 6.923 4.495 4.495 910 1HD1 ILE 119 2HD1 ILE 119 7.018 6.388 6.388 911 2HD1 ILE 119 1HD1 ILE 119 6.214 7.261 7.261 912 3HD1 ILE 119 3HD1 ILE 119 7.622 6.272 6.272 913 H ASP 120 H ASP 120 8.245 1.800 1.800 914 HA ASP 120 HA ASP 120 8.602 -0.140 -0.140 915 1HB ASP 120 2HB ASP 120 10.411 0.990 0.990 916 2HB ASP 120 1HB ASP 120 10.046 -0.295 -0.295 917 H VAL 121 H VAL 121 7.754 -0.422 -0.422 918 HA VAL 121 HA VAL 121 7.423 -3.230 -3.230 919 HB VAL 121 HB VAL 121 7.532 -1.156 -1.156 920 1HG1 VAL 121 1HG1 VAL 121 5.374 -0.269 -0.269 921 2HG1 VAL 121 3HG1 VAL 121 4.555 -1.671 -1.671 922 3HG1 VAL 121 2HG1 VAL 121 5.447 -0.569 -0.569 923 1HG2 VAL 121 2HG2 VAL 121 7.790 -3.404 -3.404 924 2HG2 VAL 121 1HG2 VAL 121 6.766 -2.493 -2.493 925 3HG2 VAL 121 3HG2 VAL 121 6.043 -3.650 -3.650 926 H MET 122 H MET 122 5.421 -0.573 -0.573 927 HA MET 122 HA MET 122 2.969 -2.040 -2.040 928 1HB MET 122 2HB MET 122 2.531 0.210 0.210 929 2HB MET 122 1HB MET 122 4.064 0.553 0.553 930 1HG MET 122 2HG MET 122 1.933 -1.054 -1.054 931 2HG MET 122 1HG MET 122 1.977 0.675 0.675 932 1HE MET 122 2HE MET 122 1.462 0.356 0.356 933 2HE MET 122 1HE MET 122 2.752 1.466 1.466 934 3HE MET 122 3HE MET 122 2.543 -0.084 -0.084 935 H ARG 123 H ARG 123 5.660 -1.269 -1.269 936 HA ARG 123 HA ARG 123 4.967 -2.661 -2.661 937 1HB ARG 123 2HB ARG 123 7.710 -3.068 -3.068 938 2HB ARG 123 1HB ARG 123 7.328 -3.355 -3.355 939 1HG ARG 123 2HG ARG 123 6.934 -0.967 -0.967 940 2HG ARG 123 1HG ARG 123 7.084 -0.639 -0.639 941 1HD ARG 123 2HD ARG 123 9.249 -0.121 -0.121 942 2HD ARG 123 1HD ARG 123 9.381 -1.464 -1.464 943 HE ARG 123 HE ARG 123 8.817 -2.301 -2.301 944 1HH1 ARG 123 2HH1 ARG 123 11.187 -1.411 -1.411 945 2HH1 ARG 123 1HH1 ARG 123 12.478 -2.265 -2.265 946 1HH2 ARG 123 1HH2 ARG 123 10.510 -3.475 -3.475 947 2HH2 ARG 123 2HH2 ARG 123 12.088 -3.457 -3.457 948 H GLY 124 H GLY 124 6.370 -3.904 -3.904 949 1HA GLY 124 2HA GLY 124 6.344 -6.682 -6.682 950 2HA GLY 124 1HA GLY 124 6.230 -6.007 -6.007 951 H LEU 125 H LEU 125 3.968 -4.992 -4.992 952 HA LEU 125 HA LEU 125 2.011 -6.937 -6.937 953 1HB LEU 125 2HB LEU 125 1.910 -3.950 -3.950 954 2HB LEU 125 1HB LEU 125 0.403 -4.825 -4.825 955 HG LEU 125 HG LEU 125 2.504 -5.761 -5.761 956 1HD1 LEU 125 1HD1 LEU 125 1.210 -3.034 -3.034 957 2HD1 LEU 125 3HD1 LEU 125 2.184 -3.894 -3.894 958 3HD1 LEU 125 2HD1 LEU 125 2.930 -3.312 -3.312 959 1HD2 LEU 125 3HD2 LEU 125 0.098 -6.499 -6.499 960 2HD2 LEU 125 2HD2 LEU 125 0.528 -5.755 -5.755 961 3HD2 LEU 125 1HD2 LEU 125 -0.398 -4.864 -4.864 962 H LEU 126 H LEU 126 2.185 -4.690 -4.690 963 HA LEU 126 HA LEU 126 -0.069 -5.844 -5.844 964 1HB LEU 126 2HB LEU 126 2.191 -4.019 -4.019 965 2HB LEU 126 1HB LEU 126 0.711 -4.301 -4.301 966 HG LEU 126 HG LEU 126 1.148 -2.750 -2.750 967 1HD1 LEU 126 2HD1 LEU 126 0.512 -1.612 -1.612 968 2HD1 LEU 126 1HD1 LEU 126 -0.971 -2.549 -2.549 969 3HD1 LEU 126 3HD1 LEU 126 -0.654 -1.358 -1.358 970 1HD2 LEU 126 3HD2 LEU 126 -1.407 -4.085 -4.085 971 2HD2 LEU 126 2HD2 LEU 126 -0.557 -4.428 -4.428 972 3HD2 LEU 126 1HD2 LEU 126 -1.291 -2.874 -2.874 973 H SER 127 H SER 127 3.415 -6.351 -6.351 974 HA SER 127 HA SER 127 3.137 -8.005 -8.005 975 1HB SER 127 2HB SER 127 5.243 -8.112 -8.112 976 2HB SER 127 1HB SER 127 5.399 -8.927 -8.927 977 HG SER 127 HG SER 127 5.436 -6.222 -6.222 978 H ASN 128 H ASN 128 3.303 -8.603 -8.603 979 HA ASN 128 HA ASN 128 2.828 -11.317 -11.317 980 1HB ASN 128 2HB ASN 128 2.014 -8.946 -8.946 981 2HB ASN 128 1HB ASN 128 1.375 -10.515 -10.515 982 1HD2 ASN 128 2HD2 ASN 128 5.310 -9.786 -9.786 983 2HD2 ASN 128 1HD2 ASN 128 4.507 -8.774 -8.774 984 H VAL 129 H VAL 129 0.309 -8.700 -8.700 985 HA VAL 129 HA VAL 129 -1.834 -10.502 -10.502 986 HB VAL 129 HB VAL 129 -1.414 -7.697 -7.697 987 1HG1 VAL 129 2HG1 VAL 129 -3.961 -9.389 -9.389 988 2HG1 VAL 129 1HG1 VAL 129 -4.011 -7.670 -7.670 989 3HG1 VAL 129 3HG1 VAL 129 -3.154 -8.647 -8.647 990 1HG2 VAL 129 1HG2 VAL 129 -1.674 -8.072 -8.072 991 2HG2 VAL 129 3HG2 VAL 129 -3.040 -7.168 -7.168 992 3HG2 VAL 129 2HG2 VAL 129 -3.215 -8.881 -8.881 993 H LEU 130 H LEU 130 -0.321 -8.915 -8.915 994 HA LEU 130 HA LEU 130 -1.955 -10.299 -10.299 995 1HB LEU 130 2HB LEU 130 0.055 -8.278 -8.278 996 2HB LEU 130 1HB LEU 130 0.660 -9.572 -9.572 997 HG LEU 130 HG LEU 130 -0.713 -7.937 -7.937 998 1HD1 LEU 130 3HD1 LEU 130 -0.661 -10.295 -10.295 999 2HD1 LEU 130 2HD1 LEU 130 -2.051 -10.684 -10.684 1000 3HD1 LEU 130 1HD1 LEU 130 -2.212 -9.563 -9.563 1001 1HD2 LEU 130 1HD2 LEU 130 -2.327 -7.219 -7.219 1002 2HD2 LEU 130 3HD2 LEU 130 -3.151 -7.811 -7.811 1003 3HD2 LEU 130 2HD2 LEU 130 -3.093 -8.799 -8.799 1004 H CYS 131 H CYS 131 0.861 -11.343 -11.343 1005 HA CYS 131 HA CYS 131 1.413 -13.552 -13.552 1006 1HB CYS 131 2HB CYS 131 3.107 -12.268 -12.268 1007 2HB CYS 131 1HB CYS 131 2.476 -13.231 -13.231 1008 H ARG 132 H ARG 132 -0.014 -12.919 -12.919 1009 HA ARG 132 HA ARG 132 -0.721 -15.578 -15.578 1010 1HB ARG 132 2HB ARG 132 -0.531 -13.769 -13.769 1011 2HB ARG 132 1HB ARG 132 -1.663 -12.776 -12.776 1012 1HG ARG 132 2HG ARG 132 -2.734 -13.578 -13.578 1013 2HG ARG 132 1HG ARG 132 -3.505 -14.285 -14.285 1014 1HD ARG 132 2HD ARG 132 -1.703 -16.238 -16.238 1015 2HD ARG 132 1HD ARG 132 -2.019 -15.596 -15.596 1016 HE ARG 132 HE ARG 132 -4.498 -15.680 -15.680 1017 1HH1 ARG 132 2HH1 ARG 132 -1.982 -18.027 -18.027 1018 2HH1 ARG 132 1HH1 ARG 132 -3.085 -19.324 -19.324 1019 1HH2 ARG 132 1HH2 ARG 132 -5.966 -17.465 -17.465 1020 2HH2 ARG 132 2HH2 ARG 132 -5.273 -18.999 -18.999 1021 H LEU 133 H LEU 133 -2.787 -12.995 -12.995 1022 HA LEU 133 HA LEU 133 -5.248 -14.082 -14.082 1023 1HB LEU 133 2HB LEU 133 -3.742 -11.966 -11.966 1024 2HB LEU 133 1HB LEU 133 -4.723 -12.785 -12.785 1025 HG LEU 133 HG LEU 133 -6.747 -12.475 -12.475 1026 1HD1 LEU 133 3HD1 LEU 133 -4.900 -10.991 -10.991 1027 2HD1 LEU 133 2HD1 LEU 133 -6.651 -11.022 -11.022 1028 3HD1 LEU 133 1HD1 LEU 133 -5.723 -12.485 -12.485 1029 1HD2 LEU 133 1HD2 LEU 133 -6.136 -10.712 -10.712 1030 2HD2 LEU 133 3HD2 LEU 133 -6.939 -10.075 -10.075 1031 3HD2 LEU 133 2HD2 LEU 133 -5.205 -9.877 -9.877 1032 H CYS 134 H CYS 134 -2.811 -14.468 -14.468 1033 HA CYS 134 HA CYS 134 -4.007 -15.884 -15.884 1034 1HB CYS 134 2HB CYS 134 -1.457 -16.899 -16.899 1035 2HB CYS 134 1HB CYS 134 -1.868 -17.059 -17.059 1036 H ASN 135 H ASN 135 -2.916 -17.306 -17.306 1037 HA ASN 135 HA ASN 135 -3.449 -19.927 -19.927 1038 1HB ASN 135 2HB ASN 135 -2.997 -18.439 -18.439 1039 2HB ASN 135 1HB ASN 135 -4.705 -18.077 -18.077 1040 1HD2 ASN 135 2HD2 ASN 135 -4.325 -22.051 -22.051 1041 2HD2 ASN 135 1HD2 ASN 135 -4.000 -21.418 -21.418 1042 H LYS 136 H LYS 136 -6.051 -17.588 -17.588 1043 HA LYS 136 HA LYS 136 -7.894 -19.508 -19.508 1044 1HB LYS 136 2HB LYS 136 -8.457 -18.054 -18.054 1045 2HB LYS 136 1HB LYS 136 -9.738 -18.702 -18.702 1046 1HG LYS 136 2HG LYS 136 -8.302 -20.977 -20.977 1047 2HG LYS 136 1HG LYS 136 -7.641 -20.187 -20.187 1048 1HD LYS 136 2HD LYS 136 -9.856 -19.828 -19.828 1049 2HD LYS 136 1HD LYS 136 -10.655 -20.381 -20.381 1050 1HE LYS 136 2HE LYS 136 -9.726 -22.695 -22.695 1051 2HE LYS 136 1HE LYS 136 -9.038 -22.145 -22.145 1052 1HZ LYS 136 3HZ LYS 136 -11.719 -21.360 -21.360 1053 2HZ LYS 136 2HZ LYS 136 -11.696 -23.002 -23.002 1054 3HZ LYS 136 1HZ LYS 136 -10.992 -22.496 -22.496 1055 H TYR 137 H TYR 137 -6.511 -16.819 -16.819 1056 HA TYR 137 HA TYR 137 -8.928 -15.571 -15.571 1057 1HB TYR 137 2HB TYR 137 -6.815 -14.120 -14.120 1058 2HB TYR 137 1HB TYR 137 -8.085 -13.328 -13.328 1059 HD1 TYR 137 HD2 TYR 137 -10.519 -14.191 -14.191 1060 HD2 TYR 137 HD1 TYR 137 -7.292 -14.656 -14.656 1061 HE1 TYR 137 HE2 TYR 137 -12.115 -14.427 -14.427 1062 HE2 TYR 137 HE1 TYR 137 -8.891 -14.887 -14.887 1063 HH TYR 137 HH TYR 137 -11.527 -15.600 -15.600 1064 H ARG 138 H ARG 138 -7.282 -17.120 -17.120 1065 HA ARG 138 HA ARG 138 -5.439 -15.204 -15.204 1066 1HB ARG 138 2HB ARG 138 -4.562 -17.320 -17.320 1067 2HB ARG 138 1HB ARG 138 -4.411 -17.315 -17.315 1068 1HG ARG 138 2HG ARG 138 -5.061 -19.539 -19.539 1069 2HG ARG 138 1HG ARG 138 -6.426 -18.838 -18.838 1070 1HD ARG 138 2HD ARG 138 -7.483 -18.234 -18.234 1071 2HD ARG 138 1HD ARG 138 -6.102 -18.567 -18.567 1072 HE ARG 138 HE ARG 138 -6.904 -20.996 -20.996 1073 1HH1 ARG 138 2HH1 ARG 138 -8.181 -18.309 -18.309 1074 2HH1 ARG 138 1HH1 ARG 138 -9.428 -19.200 -19.200 1075 1HH2 ARG 138 1HH2 ARG 138 -8.477 -22.243 -22.243 1076 2HH2 ARG 138 2HH2 ARG 138 -9.571 -21.540 -21.540 1077 H VAL 139 H VAL 139 -7.708 -14.392 -14.392 1078 HA VAL 139 HA VAL 139 -8.945 -15.215 -15.215 1079 HB VAL 139 HB VAL 139 -10.546 -15.227 -15.227 1080 1HG1 VAL 139 3HG1 VAL 139 -9.345 -13.742 -13.742 1081 2HG1 VAL 139 2HG1 VAL 139 -9.794 -12.342 -12.342 1082 3HG1 VAL 139 1HG1 VAL 139 -11.022 -13.312 -13.312 1083 1HG2 VAL 139 3HG2 VAL 139 -11.450 -14.279 -14.279 1084 2HG2 VAL 139 2HG2 VAL 139 -12.219 -13.516 -13.516 1085 3HG2 VAL 139 1HG2 VAL 139 -10.974 -12.665 -12.665 1086 H GLY 140 H GLY 140 -8.070 -12.308 -12.308 1087 1HA GLY 140 2HA GLY 140 -6.516 -10.658 -10.658 1088 2HA GLY 140 1HA GLY 140 -7.350 -10.963 -10.963 1089 H HIS 141 H HIS 141 -8.253 -9.972 -9.972 1090 HA HIS 141 HA HIS 141 -9.581 -7.564 -7.564 1091 1HB HIS 141 2HB HIS 141 -11.754 -8.095 -8.095 1092 2HB HIS 141 1HB HIS 141 -11.313 -9.362 -9.362 1093 HD1 HIS 141 HD1 HIS 141 -12.983 -10.700 -10.700 1094 HD2 HIS 141 HD2 HIS 141 -9.284 -9.803 -9.803 1095 HE1 HIS 141 HE1 HIS 141 -12.636 -12.198 -12.198 1096 H VAL 142 H VAL 142 -7.353 -7.421 -7.421 1097 HA VAL 142 HA VAL 142 -8.152 -6.919 -6.919 1098 HB VAL 142 HB VAL 142 -5.970 -8.016 -8.016 1099 1HG1 VAL 142 3HG1 VAL 142 -5.455 -7.074 -7.074 1100 2HG1 VAL 142 2HG1 VAL 142 -5.160 -5.500 -5.500 1101 3HG1 VAL 142 1HG1 VAL 142 -4.124 -6.844 -6.844 1102 1HG2 VAL 142 1HG2 VAL 142 -5.638 -5.126 -5.126 1103 2HG2 VAL 142 3HG2 VAL 142 -6.102 -6.470 -6.470 1104 3HG2 VAL 142 2HG2 VAL 142 -4.493 -6.406 -6.406 1105 H ASP 143 H ASP 143 -7.124 -5.444 -5.444 1106 HA ASP 143 HA ASP 143 -6.795 -3.219 -3.219 1107 1HB ASP 143 2HB ASP 143 -9.115 -1.919 -1.919 1108 2HB ASP 143 1HB ASP 143 -8.881 -2.555 -2.555 1109 H VAL 144 H VAL 144 -5.145 -2.058 -2.058 1110 HA VAL 144 HA VAL 144 -5.601 -0.682 -0.682 1111 HB VAL 144 HB VAL 144 -3.170 -0.977 -0.977 1112 1HG1 VAL 144 1HG1 VAL 144 -4.567 -3.559 -3.559 1113 2HG1 VAL 144 3HG1 VAL 144 -3.193 -3.508 -3.508 1114 3HG1 VAL 144 2HG1 VAL 144 -4.731 -2.843 -2.843 1115 1HG2 VAL 144 1HG2 VAL 144 -3.120 -2.481 -2.481 1116 2HG2 VAL 144 3HG2 VAL 144 -2.364 -0.927 -0.927 1117 3HG2 VAL 144 2HG2 VAL 144 -1.798 -2.354 -2.354 1118 HA PRO 145 HA PRO 145 -4.795 2.922 2.922 1119 1HB PRO 145 2HB PRO 145 -7.194 3.799 3.799 1120 2HB PRO 145 1HB PRO 145 -6.446 2.459 2.459 1121 1HG PRO 145 2HG PRO 145 -8.529 2.313 2.313 1122 2HG PRO 145 1HG PRO 145 -8.552 1.473 1.473 1123 1HD PRO 145 2HD PRO 145 -7.574 0.325 0.325 1124 2HD PRO 145 1HD PRO 145 -7.053 -0.165 -0.165 1125 HA PRO 146 HA PRO 146 -5.802 4.342 4.342 1126 1HB PRO 146 2HB PRO 146 -3.618 5.929 5.929 1127 2HB PRO 146 1HB PRO 146 -3.550 4.149 4.149 1128 1HG PRO 146 2HG PRO 146 -2.993 5.896 5.896 1129 2HG PRO 146 1HG PRO 146 -1.860 4.779 4.779 1130 1HD PRO 146 2HD PRO 146 -3.346 3.879 3.879 1131 2HD PRO 146 1HD PRO 146 -3.214 2.859 2.859 1132 H VAL 147 H VAL 147 -6.488 6.420 6.420 1133 HA VAL 147 HA VAL 147 -6.986 8.510 8.510 1134 HB VAL 147 HB VAL 147 -9.213 8.885 8.885 1135 1HG1 VAL 147 2HG1 VAL 147 -8.731 6.047 6.047 1136 2HG1 VAL 147 1HG1 VAL 147 -10.299 6.844 6.844 1137 3HG1 VAL 147 3HG1 VAL 147 -9.056 7.452 7.452 1138 1HG2 VAL 147 1HG2 VAL 147 -8.707 7.884 7.884 1139 2HG2 VAL 147 3HG2 VAL 147 -10.121 7.172 7.172 1140 3HG2 VAL 147 2HG2 VAL 147 -8.599 6.288 6.288 1141 HA PRO 148 HA PRO 148 -5.486 10.836 10.836 1142 1HB PRO 148 2HB PRO 148 -4.313 12.895 12.895 1143 2HB PRO 148 1HB PRO 148 -3.647 11.263 11.263 1144 1HG PRO 148 2HG PRO 148 -5.009 12.773 12.773 1145 2HG PRO 148 1HG PRO 148 -3.938 11.382 11.382 1146 1HD PRO 148 2HD PRO 148 -6.923 11.313 11.313 1147 2HD PRO 148 1HD PRO 148 -5.755 10.026 10.026 1148 H ASP 149 H ASP 149 -6.754 12.944 12.944 1149 HA ASP 149 HA ASP 149 -7.775 15.079 15.079 1150 1HB ASP 149 2HB ASP 149 -9.389 13.243 13.243 1151 2HB ASP 149 1HB ASP 149 -10.035 13.207 13.207 1152 H HIS 150 H HIS 150 -6.549 15.634 15.634 1153 HA HIS 150 HA HIS 150 -8.272 15.739 15.739 1154 1HB HIS 150 2HB HIS 150 -5.379 16.677 16.677 1155 2HB HIS 150 1HB HIS 150 -6.243 16.262 16.262 1156 HD1 HIS 150 HD1 HIS 150 -6.902 13.462 13.462 1157 HD2 HIS 150 HD2 HIS 150 -3.780 14.752 14.752 1158 HE1 HIS 150 HE1 HIS 150 -5.519 11.490 11.490 1159 H SER 151 H SER 151 -8.901 17.191 17.191 1160 HA SER 151 HA SER 151 -8.144 20.035 20.035 1161 1HB SER 151 2HB SER 151 -8.371 18.869 18.869 1162 2HB SER 151 1HB SER 151 -10.121 18.924 18.924 1163 HG SER 151 HG SER 151 -10.009 20.986 20.986 1164 H ASP 152 H ASP 152 -9.007 19.273 19.273 1165 HA ASP 152 HA ASP 152 -11.938 19.797 19.797 1166 1HB ASP 152 2HB ASP 152 -11.737 17.700 17.700 1167 2HB ASP 152 1HB ASP 152 -10.014 17.798 17.798 1168 H LYS 153 H LYS 153 -8.778 20.269 20.269 1169 HA LYS 153 HA LYS 153 -9.519 23.065 23.065 1170 1HB LYS 153 2HB LYS 153 -8.209 21.043 21.043 1171 2HB LYS 153 1HB LYS 153 -8.536 22.723 22.723 1172 1HG LYS 153 2HG LYS 153 -10.930 22.438 22.438 1173 2HG LYS 153 1HG LYS 153 -10.750 20.776 20.776 1174 1HD LYS 153 2HD LYS 153 -9.579 20.524 20.524 1175 2HD LYS 153 1HD LYS 153 -10.250 22.105 22.105 1176 1HE LYS 153 2HE LYS 153 -11.806 20.345 20.345 1177 2HE LYS 153 1HE LYS 153 -12.556 21.271 21.271 1178 1HZ LYS 153 1HZ LYS 153 -11.230 19.186 19.186 1179 2HZ LYS 153 3HZ LYS 153 -12.032 18.462 18.462 1180 3HZ LYS 153 2HZ LYS 153 -12.817 19.368 19.368 1181 H GLU 154 H GLU 154 -7.605 24.400 24.400 1182 HA GLU 154 HA GLU 154 -5.518 23.204 23.204 1183 1HB GLU 154 2HB GLU 154 -6.586 24.994 24.994 1184 2HB GLU 154 1HB GLU 154 -6.664 25.918 25.918 1185 1HG GLU 154 2HG GLU 154 -4.026 25.523 25.523 1186 2HG GLU 154 1HG GLU 154 -5.158 26.784 26.784 1187 H VAL 155 H VAL 155 -4.690 25.837 25.837 1188 HA VAL 155 HA VAL 155 -1.987 25.330 25.330 1189 HB VAL 155 HB VAL 155 -3.866 25.970 25.970 1190 1HG1 VAL 155 3HG1 VAL 155 -0.818 26.185 26.185 1191 2HG1 VAL 155 2HG1 VAL 155 -1.821 26.754 26.754 1192 3HG1 VAL 155 1HG1 VAL 155 -1.717 25.042 25.042 1193 1HG2 VAL 155 2HG2 VAL 155 -2.092 27.813 27.813 1194 2HG2 VAL 155 1HG2 VAL 155 -3.835 27.770 27.770 1195 3HG2 VAL 155 3HG2 VAL 155 -3.025 28.315 28.315 1196 H PHE 156 H PHE 156 -4.532 23.927 23.927 1197 HA PHE 156 HA PHE 156 -3.408 21.939 21.939 1198 1HB PHE 156 2HB PHE 156 -6.035 21.552 21.552 1199 2HB PHE 156 1HB PHE 156 -5.645 21.052 21.052 1200 HD1 PHE 156 HD1 PHE 156 -5.745 22.647 22.647 1201 HD2 PHE 156 HD2 PHE 156 -6.639 23.886 23.886 1202 HE1 PHE 156 HE1 PHE 156 -6.742 24.722 24.722 1203 HE2 PHE 156 HE2 PHE 156 -7.628 25.953 25.953 1204 HZ PHE 156 HZ PHE 156 -7.684 26.365 26.365 1205 H GLN 157 H GLN 157 -4.992 21.342 21.342 1206 HA GLN 157 HA GLN 157 -4.315 18.852 18.852 1207 1HB GLN 157 2HB GLN 157 -5.415 20.157 20.157 1208 2HB GLN 157 1HB GLN 157 -4.157 21.370 21.370 1209 1HG GLN 157 2HG GLN 157 -2.699 19.538 19.538 1210 2HG GLN 157 1HG GLN 157 -4.137 18.522 18.522 1211 1HE2 GLN 157 2HE2 GLN 157 -5.749 20.446 20.446 1212 2HE2 GLN 157 1HE2 GLN 157 -6.040 19.376 19.376 1213 H LYS 158 H LYS 158 -2.169 21.502 21.502 1214 HA LYS 158 HA LYS 158 -0.026 19.968 19.968 1215 1HB LYS 158 2HB LYS 158 -0.261 22.614 22.614 1216 2HB LYS 158 1HB LYS 158 0.254 22.471 22.471 1217 1HG LYS 158 2HG LYS 158 2.151 23.148 23.148 1218 2HG LYS 158 1HG LYS 158 2.471 21.633 21.633 1219 1HD LYS 158 2HD LYS 158 1.927 20.337 20.337 1220 2HD LYS 158 1HD LYS 158 1.243 21.732 21.732 1221 1HE LYS 158 2HE LYS 158 3.551 22.722 22.722 1222 2HE LYS 158 1HE LYS 158 4.189 21.312 21.312 1223 1HZ LYS 158 1HZ LYS 158 2.581 20.430 20.430 1224 2HZ LYS 158 3HZ LYS 158 3.718 21.555 21.555 1225 3HZ LYS 158 2HZ LYS 158 4.227 20.205 20.205 1226 H LYS 159 H LYS 159 -0.694 20.442 20.442 1227 HA LYS 159 HA LYS 159 1.687 18.768 18.768 1228 1HB LYS 159 2HB LYS 159 -0.097 20.432 20.432 1229 2HB LYS 159 1HB LYS 159 1.493 19.793 19.793 1230 1HG LYS 159 2HG LYS 159 2.446 21.241 21.241 1231 2HG LYS 159 1HG LYS 159 0.894 22.065 22.065 1232 1HD LYS 159 2HD LYS 159 1.178 22.403 22.403 1233 2HD LYS 159 1HD LYS 159 2.832 21.852 21.852 1234 1HE LYS 159 2HE LYS 159 3.145 23.762 23.762 1235 2HE LYS 159 1HE LYS 159 1.556 24.355 24.355 1236 1HZ LYS 159 2HZ LYS 159 3.108 23.822 23.822 1237 2HZ LYS 159 1HZ LYS 159 3.993 24.800 24.800 1238 3HZ LYS 159 3HZ LYS 159 2.460 25.302 25.302 1239 H LYS 160 H LYS 160 -1.736 19.128 19.128 1240 HA LYS 160 HA LYS 160 -2.108 16.670 16.670 1241 1HB LYS 160 2HB LYS 160 -4.314 17.759 17.759 1242 2HB LYS 160 1HB LYS 160 -3.657 19.018 19.018 1243 1HG LYS 160 2HG LYS 160 -4.638 18.309 18.309 1244 2HG LYS 160 1HG LYS 160 -5.004 16.694 16.694 1245 1HD LYS 160 2HD LYS 160 -6.793 17.389 17.389 1246 2HD LYS 160 1HD LYS 160 -6.241 19.028 19.028 1247 1HE LYS 160 2HE LYS 160 -8.202 19.001 19.001 1248 2HE LYS 160 1HE LYS 160 -6.826 19.434 19.434 1249 1HZ LYS 160 2HZ LYS 160 -7.254 16.606 16.606 1250 2HZ LYS 160 1HZ LYS 160 -8.680 17.395 17.395 1251 3HZ LYS 160 3HZ LYS 160 -7.399 17.762 17.762 1252 H LEU 161 H LEU 161 -1.575 17.225 17.225 1253 HA LEU 161 HA LEU 161 -2.939 15.560 15.560 1254 1HB LEU 161 2HB LEU 161 -0.913 16.487 16.487 1255 2HB LEU 161 1HB LEU 161 0.055 15.743 15.743 1256 HG LEU 161 HG LEU 161 -0.179 13.510 13.510 1257 1HD1 LEU 161 1HD1 LEU 161 -1.724 14.983 14.983 1258 2HD1 LEU 161 3HD1 LEU 161 -1.217 13.300 13.300 1259 3HD1 LEU 161 2HD1 LEU 161 -2.389 13.819 13.819 1260 1HD2 LEU 161 1HD2 LEU 161 1.667 15.090 15.090 1261 2HD2 LEU 161 3HD2 LEU 161 1.159 14.060 14.060 1262 3HD2 LEU 161 2HD2 LEU 161 0.617 15.722 15.722 1263 H GLY 162 H GLY 162 -1.029 14.225 14.225 1264 1HA GLY 162 2HA GLY 162 -2.048 11.499 11.499 1265 2HA GLY 162 1HA GLY 162 -0.625 11.817 11.817 1266 H CYS 163 H CYS 163 -2.116 13.955 13.955 1267 HA CYS 163 HA CYS 163 -2.774 12.504 12.504 1268 1HB CYS 163 2HB CYS 163 -3.269 14.614 14.614 1269 2HB CYS 163 1HB CYS 163 -2.236 15.026 15.026 1270 H GLN 164 H GLN 164 -4.888 14.014 14.014 1271 HA GLN 164 HA GLN 164 -7.429 13.170 13.170 1272 1HB GLN 164 2HB GLN 164 -6.656 14.582 14.582 1273 2HB GLN 164 1HB GLN 164 -7.181 13.053 13.053 1274 1HG GLN 164 2HG GLN 164 -9.277 13.308 13.308 1275 2HG GLN 164 1HG GLN 164 -8.762 14.947 14.947 1276 1HE2 GLN 164 2HE2 GLN 164 -10.610 14.171 14.171 1277 2HE2 GLN 164 1HE2 GLN 164 -10.665 13.090 13.090 1278 H LEU 165 H LEU 165 -4.968 11.609 11.609 1279 HA LEU 165 HA LEU 165 -6.485 9.131 9.131 1280 1HB LEU 165 2HB LEU 165 -3.541 9.596 9.596 1281 2HB LEU 165 1HB LEU 165 -4.621 8.360 8.360 1282 HG LEU 165 HG LEU 165 -4.855 11.298 11.298 1283 1HD1 LEU 165 3HD1 LEU 165 -3.013 10.061 10.061 1284 2HD1 LEU 165 2HD1 LEU 165 -4.106 8.794 8.794 1285 3HD1 LEU 165 1HD1 LEU 165 -4.239 10.399 10.399 1286 1HD2 LEU 165 1HD2 LEU 165 -6.588 8.892 8.892 1287 2HD2 LEU 165 3HD2 LEU 165 -7.136 10.209 10.209 1288 3HD2 LEU 165 2HD2 LEU 165 -6.740 10.505 10.505 1289 H LEU 166 H LEU 166 -3.808 10.420 10.420 1290 HA LEU 166 HA LEU 166 -3.350 7.820 7.820 1291 1HB LEU 166 2HB LEU 166 -2.774 10.642 10.642 1292 2HB LEU 166 1HB LEU 166 -2.901 9.493 9.493 1293 HG LEU 166 HG LEU 166 -0.552 9.764 9.764 1294 1HD1 LEU 166 1HD1 LEU 166 -2.015 7.172 7.172 1295 2HD1 LEU 166 3HD1 LEU 166 -0.335 7.104 7.104 1296 3HD1 LEU 166 2HD1 LEU 166 -0.836 7.887 7.887 1297 1HD2 LEU 166 2HD2 LEU 166 -1.696 8.101 8.101 1298 2HD2 LEU 166 1HD2 LEU 166 -1.039 9.736 9.736 1299 3HD2 LEU 166 3HD2 LEU 166 0.005 8.385 8.385 1300 H GLY 167 H GLY 167 -5.724 10.303 10.303 1301 1HA GLY 167 2HA GLY 167 -6.825 9.067 9.067 1302 2HA GLY 167 1HA GLY 167 -7.758 10.057 10.057 1303 H THR 168 H THR 168 -8.189 8.921 8.921 1304 HA THR 168 HA THR 168 -9.948 6.770 6.770 1305 HB THR 168 HB THR 168 -9.013 6.303 6.303 1306 HG1 THR 168 HG1 THR 168 -8.376 8.975 8.975 1307 1HG2 THR 168 3HG2 THR 168 -10.524 8.804 8.804 1308 2HG2 THR 168 2HG2 THR 168 -10.476 8.036 8.036 1309 3HG2 THR 168 1HG2 THR 168 -11.246 7.220 7.220 1310 H TYR 169 H TYR 169 -6.803 6.666 6.666 1311 HA TYR 169 HA TYR 169 -6.117 4.023 4.023 1312 1HB TYR 169 2HB TYR 169 -4.421 5.707 5.707 1313 2HB TYR 169 1HB TYR 169 -4.360 6.183 6.183 1314 HD1 TYR 169 HD1 TYR 169 -3.724 2.842 2.842 1315 HD2 TYR 169 HD2 TYR 169 -2.596 5.678 5.678 1316 HE1 TYR 169 HE1 TYR 169 -1.710 1.506 1.506 1317 HE2 TYR 169 HE2 TYR 169 -0.630 4.371 4.371 1318 HH TYR 169 HH TYR 169 0.721 3.063 3.063 1319 H LYS 170 H LYS 170 -5.917 5.849 5.849 1320 HA LYS 170 HA LYS 170 -5.063 3.440 3.440 1321 1HB LYS 170 2HB LYS 170 -4.538 5.727 5.727 1322 2HB LYS 170 1HB LYS 170 -6.223 6.123 6.123 1323 1HG LYS 170 2HG LYS 170 -5.044 3.818 3.818 1324 2HG LYS 170 1HG LYS 170 -4.930 5.454 5.454 1325 1HD LYS 170 2HD LYS 170 -7.577 5.463 5.463 1326 2HD LYS 170 1HD LYS 170 -7.404 3.725 3.725 1327 1HE LYS 170 2HE LYS 170 -6.603 5.687 5.687 1328 2HE LYS 170 1HE LYS 170 -8.002 4.631 4.631 1329 1HZ LYS 170 1HZ LYS 170 -5.778 3.028 3.028 1330 2HZ LYS 170 3HZ LYS 170 -5.370 4.046 4.046 1331 3HZ LYS 170 2HZ LYS 170 -6.741 3.062 3.062 1332 H GLN 171 H GLN 171 -8.084 5.247 5.247 1333 HA GLN 171 HA GLN 171 -9.629 3.452 3.452 1334 1HB GLN 171 2HB GLN 171 -10.106 5.497 5.497 1335 2HB GLN 171 1HB GLN 171 -11.320 4.260 4.260 1336 1HG GLN 171 2HG GLN 171 -12.028 6.145 6.145 1337 2HG GLN 171 1HG GLN 171 -11.750 4.769 4.769 1338 1HE2 GLN 171 2HE2 GLN 171 -9.629 6.783 6.783 1339 2HE2 GLN 171 1HE2 GLN 171 -10.814 5.550 5.550 1340 H VAL 172 H VAL 172 -8.949 3.197 3.197 1341 HA VAL 172 HA VAL 172 -10.435 0.707 0.707 1342 HB VAL 172 HB VAL 172 -9.962 1.148 1.148 1343 1HG1 VAL 172 3HG1 VAL 172 -10.351 3.766 3.766 1344 2HG1 VAL 172 2HG1 VAL 172 -10.680 3.589 3.589 1345 3HG1 VAL 172 1HG1 VAL 172 -11.609 2.672 2.672 1346 1HG2 VAL 172 1HG2 VAL 172 -7.822 3.037 3.037 1347 2HG2 VAL 172 3HG2 VAL 172 -7.524 1.529 1.529 1348 3HG2 VAL 172 2HG2 VAL 172 -8.287 2.866 2.866 1349 H ILE 173 H ILE 173 -6.964 1.647 1.647 1350 HA ILE 173 HA ILE 173 -5.924 -0.926 -0.926 1351 HB ILE 173 HB ILE 173 -4.512 1.402 1.402 1352 1HG1 ILE 173 2HG1 ILE 173 -2.478 0.125 0.125 1353 2HG1 ILE 173 1HG1 ILE 173 -3.440 -1.325 -1.325 1354 1HG2 ILE 173 1HG2 ILE 173 -5.042 1.332 1.332 1355 2HG2 ILE 173 3HG2 ILE 173 -4.147 -0.175 -0.175 1356 3HG2 ILE 173 2HG2 ILE 173 -3.357 1.312 1.312 1357 1HD1 ILE 173 2HD1 ILE 173 -3.592 0.537 0.537 1358 2HD1 ILE 173 1HD1 ILE 173 -2.701 -0.961 -0.961 1359 3HD1 ILE 173 3HD1 ILE 173 -4.440 -0.978 -0.978 1360 H SER 174 H SER 174 -7.258 0.509 0.509 1361 HA SER 174 HA SER 174 -6.590 -1.570 -1.570 1362 1HB SER 174 2HB SER 174 -6.874 0.719 0.719 1363 2HB SER 174 1HB SER 174 -8.549 0.744 0.744 1364 HG SER 174 HG SER 174 -8.645 -1.275 -1.275 1365 H VAL 175 H VAL 175 -8.399 -1.680 -1.680 1366 HA VAL 175 HA VAL 175 -10.473 -3.535 -3.535 1367 HB VAL 175 HB VAL 175 -10.596 -1.309 -1.309 1368 1HG1 VAL 175 3HG1 VAL 175 -12.193 -3.878 -3.878 1369 2HG1 VAL 175 2HG1 VAL 175 -12.451 -2.407 -2.407 1370 3HG1 VAL 175 1HG1 VAL 175 -10.981 -3.324 -3.324 1371 1HG2 VAL 175 3HG2 VAL 175 -11.658 -1.114 -1.114 1372 2HG2 VAL 175 2HG2 VAL 175 -12.846 -1.103 -1.103 1373 3HG2 VAL 175 1HG2 VAL 175 -12.616 -2.559 -2.559 1374 H VAL 176 H VAL 176 -7.890 -2.792 -2.792 1375 HA VAL 176 HA VAL 176 -8.493 -5.349 -5.349 1376 HB VAL 176 HB VAL 176 -6.873 -4.858 -4.858 1377 1HG1 VAL 176 1HG1 VAL 176 -8.904 -3.424 -3.424 1378 2HG1 VAL 176 3HG1 VAL 176 -8.053 -2.186 -2.186 1379 3HG1 VAL 176 2HG1 VAL 176 -7.509 -2.643 -2.643 1380 1HG2 VAL 176 2HG2 VAL 176 -5.838 -2.789 -2.789 1381 2HG2 VAL 176 1HG2 VAL 176 -5.055 -4.254 -4.254 1382 3HG2 VAL 176 3HG2 VAL 176 -5.316 -2.956 -2.956 1383 H VAL 177 H VAL 177 -6.325 -3.928 -3.928 1384 HA VAL 177 HA VAL 177 -4.291 -5.896 -5.896 1385 HB VAL 177 HB VAL 177 -4.416 -3.510 -3.510 1386 1HG1 VAL 177 1HG1 VAL 177 -6.563 -3.600 -3.600 1387 2HG1 VAL 177 3HG1 VAL 177 -5.937 -4.748 -4.748 1388 3HG1 VAL 177 2HG1 VAL 177 -5.289 -3.122 -3.122 1389 1HG2 VAL 177 1HG2 VAL 177 -3.487 -5.707 -5.707 1390 2HG2 VAL 177 3HG2 VAL 177 -2.539 -4.914 -4.914 1391 3HG2 VAL 177 2HG2 VAL 177 -3.055 -4.021 -4.021 1392 H GLN 178 H GLN 178 -7.513 -5.627 -5.627 1393 HA GLN 178 HA GLN 178 -7.363 -8.013 -8.013 1394 1HB GLN 178 2HB GLN 178 -8.726 -6.012 -6.012 1395 2HB GLN 178 1HB GLN 178 -9.811 -6.253 -6.253 1396 1HG GLN 178 2HG GLN 178 -10.356 -8.561 -8.561 1397 2HG GLN 178 1HG GLN 178 -9.245 -8.322 -8.322 1398 1HE2 GLN 178 2HE2 GLN 178 -11.968 -5.593 -5.593 1399 2HE2 GLN 178 1HE2 GLN 178 -10.670 -5.309 -5.309 1400 H ALA 179 H ALA 179 -8.552 -6.989 -6.989 1401 HA ALA 179 HA ALA 179 -10.393 -8.914 -8.914 1402 1HB ALA 179 2HB ALA 179 -9.631 -7.070 -7.070 1403 2HB ALA 179 1HB ALA 179 -8.096 -7.902 -7.902 1404 3HB ALA 179 3HB ALA 179 -9.567 -8.621 -8.621 1405 H PHE 180 H PHE 180 -6.951 -9.109 -9.109 1406 HA PHE 180 HA PHE 180 -7.045 -12.076 -12.076 1407 1HB PHE 180 2HB PHE 180 -4.823 -11.690 -11.690 1408 2HB PHE 180 1HB PHE 180 -6.309 -11.255 -11.255 1409 HD1 PHE 180 HD1 PHE 180 -3.724 -9.611 -9.611 1410 HD2 PHE 180 HD2 PHE 180 -6.394 -9.200 -9.200 1411 HE1 PHE 180 HE1 PHE 180 -3.003 -7.285 -7.285 1412 HE2 PHE 180 HE2 PHE 180 -5.686 -6.920 -6.920 1413 HZ PHE 180 HZ PHE 180 -3.962 -5.966 -5.966 Start of MODEL 13 1 1H SER 1 3H SER 1 0.457 -9.181 -9.181 2 2H SER 1 2H SER 1 1.907 -9.234 -9.234 3 3H SER 1 1H SER 1 0.877 -10.586 -10.586 4 HA SER 1 HA SER 1 2.023 -11.341 -11.341 5 1HB SER 1 2HB SER 1 3.446 -8.627 -8.627 6 2HB SER 1 1HB SER 1 4.152 -10.235 -10.235 7 HG SER 1 HG SER 1 4.585 -10.045 -10.045 8 HA PRO 2 HA PRO 2 -0.014 -9.325 -9.325 9 1HB PRO 2 2HB PRO 2 1.353 -10.128 -10.128 10 2HB PRO 2 1HB PRO 2 0.490 -11.311 -11.311 11 1HG PRO 2 2HG PRO 2 3.460 -10.519 -10.519 12 2HG PRO 2 1HG PRO 2 2.797 -12.142 -12.142 13 1HD PRO 2 2HD PRO 2 3.442 -11.187 -11.187 14 2HD PRO 2 1HD PRO 2 2.020 -12.239 -12.239 15 H LEU 3 H LEU 3 0.509 -7.870 -7.870 16 HA LEU 3 HA LEU 3 2.644 -5.918 -5.918 17 1HB LEU 3 2HB LEU 3 1.117 -4.133 -4.133 18 2HB LEU 3 1HB LEU 3 0.409 -5.085 -5.085 19 HG LEU 3 HG LEU 3 -0.513 -6.365 -6.365 20 1HD1 LEU 3 1HD1 LEU 3 -0.701 -3.335 -3.335 21 2HD1 LEU 3 3HD1 LEU 3 -1.498 -4.534 -4.534 22 3HD1 LEU 3 2HD1 LEU 3 0.243 -4.401 -4.401 23 1HD2 LEU 3 3HD2 LEU 3 -1.822 -5.969 -5.969 24 2HD2 LEU 3 2HD2 LEU 3 -2.715 -5.451 -5.451 25 3HD2 LEU 3 1HD2 LEU 3 -1.928 -4.259 -4.259 26 HA PRO 4 HA PRO 4 3.618 -7.426 -7.426 27 1HB PRO 4 2HB PRO 4 6.281 -7.033 -7.033 28 2HB PRO 4 1HB PRO 4 5.568 -8.262 -8.262 29 1HG PRO 4 2HG PRO 4 6.268 -5.355 -5.355 30 2HG PRO 4 1HG PRO 4 6.818 -6.811 -6.811 31 1HD PRO 4 2HD PRO 4 4.615 -5.429 -5.429 32 2HD PRO 4 1HD PRO 4 4.635 -7.205 -7.205 33 H ILE 5 H ILE 5 2.295 -5.055 -5.055 34 HA ILE 5 HA ILE 5 3.928 -3.398 -3.398 35 HB ILE 5 HB ILE 5 1.739 -2.275 -2.275 36 1HG1 ILE 5 2HG1 ILE 5 3.885 -1.071 -1.071 37 2HG1 ILE 5 1HG1 ILE 5 4.752 -2.452 -2.452 38 1HG2 ILE 5 1HG2 ILE 5 3.879 -0.909 -0.909 39 2HG2 ILE 5 3HG2 ILE 5 2.708 -0.081 -0.081 40 3HG2 ILE 5 2HG2 ILE 5 2.166 -0.988 -0.988 41 1HD1 ILE 5 3HD1 ILE 5 2.402 -2.578 -2.578 42 2HD1 ILE 5 2HD1 ILE 5 4.092 -2.797 -2.797 43 3HD1 ILE 5 1HD1 ILE 5 3.290 -3.971 -3.971 44 H THR 6 H THR 6 2.792 -5.263 -5.263 45 HA THR 6 HA THR 6 0.119 -4.280 -4.280 46 HB THR 6 HB THR 6 -0.114 -6.408 -6.408 47 HG1 THR 6 HG1 THR 6 -1.448 -6.721 -6.721 48 1HG2 THR 6 1HG2 THR 6 1.882 -7.598 -7.598 49 2HG2 THR 6 3HG2 THR 6 0.988 -8.474 -8.474 50 3HG2 THR 6 2HG2 THR 6 2.225 -7.328 -7.328 51 HA PRO 7 HA PRO 7 2.926 -4.063 -4.063 52 1HB PRO 7 2HB PRO 7 2.567 -1.483 -1.483 53 2HB PRO 7 1HB PRO 7 3.660 -1.907 -1.907 54 1HG PRO 7 2HG PRO 7 0.691 -1.128 -1.128 55 2HG PRO 7 1HG PRO 7 2.048 -0.365 -0.365 56 1HD PRO 7 2HD PRO 7 0.608 -2.318 -2.318 57 2HD PRO 7 1HD PRO 7 2.370 -2.260 -2.260 58 H VAL 8 H VAL 8 0.624 -5.384 -5.384 59 HA VAL 8 HA VAL 8 -0.811 -4.569 -4.569 60 HB VAL 8 HB VAL 8 -2.125 -3.690 -3.690 61 1HG1 VAL 8 2HG1 VAL 8 -2.166 -6.545 -6.545 62 2HG1 VAL 8 1HG1 VAL 8 -3.079 -5.193 -5.193 63 3HG1 VAL 8 3HG1 VAL 8 -1.328 -5.173 -5.173 64 1HG2 VAL 8 3HG2 VAL 8 -3.452 -4.509 -4.509 65 2HG2 VAL 8 2HG2 VAL 8 -4.302 -4.787 -4.787 66 3HG2 VAL 8 1HG2 VAL 8 -3.495 -6.122 -6.122 67 H ASN 9 H ASN 9 0.990 -6.316 -6.316 68 HA ASN 9 HA ASN 9 0.059 -9.079 -9.079 69 1HB ASN 9 2HB ASN 9 2.482 -8.441 -8.441 70 2HB ASN 9 1HB ASN 9 2.202 -9.799 -9.799 71 1HD2 ASN 9 2HD2 ASN 9 3.638 -8.031 -8.031 72 2HD2 ASN 9 1HD2 ASN 9 3.220 -9.557 -9.557 73 H ALA 10 H ALA 10 -1.581 -8.480 -8.480 74 HA ALA 10 HA ALA 10 -1.466 -9.127 -9.127 75 1HB ALA 10 1HB ALA 10 -2.066 -6.745 -6.745 76 2HB ALA 10 3HB ALA 10 -3.405 -7.238 -7.238 77 3HB ALA 10 2HB ALA 10 -3.424 -7.631 -7.631 78 H THR 11 H THR 11 -1.746 -11.156 -11.156 79 HA THR 11 HA THR 11 -4.569 -11.994 -11.994 80 HB THR 11 HB THR 11 -4.618 -13.190 -13.190 81 HG1 THR 11 HG1 THR 11 -2.759 -14.075 -14.075 82 1HG2 THR 11 1HG2 THR 11 -4.625 -10.598 -10.598 83 2HG2 THR 11 3HG2 THR 11 -2.884 -10.726 -10.726 84 3HG2 THR 11 2HG2 THR 11 -3.975 -11.542 -11.542 85 H CYS 12 H CYS 12 -2.199 -12.450 -12.450 86 HA CYS 12 HA CYS 12 -0.837 -14.225 -14.225 87 1HB CYS 12 2HB CYS 12 -3.762 -14.660 -14.660 88 2HB CYS 12 1HB CYS 12 -2.657 -15.860 -15.860 89 H ALA 13 H ALA 13 -0.811 -14.513 -14.513 90 HA ALA 13 HA ALA 13 -0.344 -17.444 -17.444 91 1HB ALA 13 3HB ALA 13 -2.603 -17.004 -17.004 92 2HB ALA 13 2HB ALA 13 -1.893 -15.831 -15.831 93 3HB ALA 13 1HB ALA 13 -1.431 -17.513 -17.513 94 H ILE 14 H ILE 14 -0.233 -14.366 -14.366 95 HA ILE 14 HA ILE 14 2.473 -15.063 -15.063 96 HB ILE 14 HB ILE 14 1.981 -12.949 -12.949 97 1HG1 ILE 14 2HG1 ILE 14 -0.191 -11.946 -11.946 98 2HG1 ILE 14 1HG1 ILE 14 -0.938 -13.325 -13.325 99 1HG2 ILE 14 1HG2 ILE 14 0.045 -15.312 -15.312 100 2HG2 ILE 14 3HG2 ILE 14 0.372 -14.198 -14.198 101 3HG2 ILE 14 2HG2 ILE 14 1.638 -15.266 -15.266 102 1HD1 ILE 14 3HD1 ILE 14 0.303 -12.689 -12.689 103 2HD1 ILE 14 2HD1 ILE 14 0.968 -11.317 -11.317 104 3HD1 ILE 14 1HD1 ILE 14 -0.712 -11.438 -11.438 105 H ARG 15 H ARG 15 1.939 -14.196 -14.196 106 HA ARG 15 HA ARG 15 3.390 -11.586 -11.586 107 1HB ARG 15 2HB ARG 15 1.436 -11.422 -11.422 108 2HB ARG 15 1HB ARG 15 1.483 -13.072 -13.072 109 1HG ARG 15 2HG ARG 15 3.166 -12.550 -12.550 110 2HG ARG 15 1HG ARG 15 3.444 -10.974 -10.974 111 1HD ARG 15 2HD ARG 15 0.705 -11.843 -11.843 112 2HD ARG 15 1HD ARG 15 1.882 -11.125 -11.125 113 HE ARG 15 HE ARG 15 0.836 -9.872 -9.872 114 1HH1 ARG 15 2HH1 ARG 15 2.215 -9.451 -9.451 115 2HH1 ARG 15 1HH1 ARG 15 2.166 -7.739 -7.739 116 1HH2 ARG 15 1HH2 ARG 15 0.757 -7.806 -7.806 117 2HH2 ARG 15 2HH2 ARG 15 1.249 -6.720 -6.720 118 H HIS 16 H HIS 16 3.291 -13.950 -13.950 119 HA HIS 16 HA HIS 16 6.172 -14.707 -14.707 120 1HB HIS 16 2HB HIS 16 4.872 -13.745 -13.745 121 2HB HIS 16 1HB HIS 16 6.543 -14.235 -14.235 122 HD1 HIS 16 HD1 HIS 16 7.179 -12.613 -12.613 123 HD2 HIS 16 HD2 HIS 16 5.233 -11.039 -11.039 124 HE1 HIS 16 HE1 HIS 16 7.547 -10.183 -10.183 125 HA PRO 17 HA PRO 17 4.323 -18.525 -18.525 126 1HB PRO 17 2HB PRO 17 6.364 -19.792 -19.792 127 2HB PRO 17 1HB PRO 17 6.410 -19.530 -19.530 128 1HG PRO 17 2HG PRO 17 7.662 -17.779 -17.779 129 2HG PRO 17 1HG PRO 17 8.487 -18.471 -18.471 130 1HD PRO 17 2HD PRO 17 7.519 -15.913 -15.913 131 2HD PRO 17 1HD PRO 17 7.421 -16.940 -16.940 132 H CYS 18 H CYS 18 4.628 -15.932 -15.932 133 HA CYS 18 HA CYS 18 4.138 -15.109 -15.109 134 1HB CYS 18 2HB CYS 18 2.048 -16.304 -16.304 135 2HB CYS 18 1HB CYS 18 2.691 -17.764 -17.764 136 H HIS 19 H HIS 19 3.748 -16.491 -16.491 137 HA HIS 19 HA HIS 19 6.290 -17.930 -17.930 138 1HB HIS 19 2HB HIS 19 5.371 -15.764 -15.764 139 2HB HIS 19 1HB HIS 19 6.960 -16.476 -16.476 140 HD1 HIS 19 HD1 HIS 19 4.801 -14.190 -14.190 141 HD2 HIS 19 HD2 HIS 19 8.764 -15.057 -15.057 142 HE1 HIS 19 HE1 HIS 19 6.036 -12.538 -12.538 143 H GLY 20 H GLY 20 6.197 -18.675 -18.675 144 1HA GLY 20 2HA GLY 20 4.694 -20.688 -20.688 145 2HA GLY 20 1HA GLY 20 5.010 -19.521 -19.521 146 H ASN 21 H ASN 21 3.359 -18.264 -18.264 147 HA ASN 21 HA ASN 21 0.595 -18.682 -18.682 148 1HB ASN 21 2HB ASN 21 1.552 -19.129 -19.129 149 2HB ASN 21 1HB ASN 21 -0.098 -18.634 -18.634 150 1HD2 ASN 21 2HD2 ASN 21 0.331 -22.145 -22.145 151 2HD2 ASN 21 1HD2 ASN 21 1.062 -20.758 -20.758 152 H LEU 22 H LEU 22 2.368 -16.908 -16.908 153 HA LEU 22 HA LEU 22 2.660 -14.724 -14.724 154 1HB LEU 22 2HB LEU 22 1.323 -14.323 -14.323 155 2HB LEU 22 1HB LEU 22 1.800 -13.004 -13.004 156 HG LEU 22 HG LEU 22 4.133 -13.516 -13.516 157 1HD1 LEU 22 3HD1 LEU 22 3.451 -16.150 -16.150 158 2HD1 LEU 22 2HD1 LEU 22 5.066 -15.535 -15.535 159 3HD1 LEU 22 1HD1 LEU 22 4.045 -16.027 -16.027 160 1HD2 LEU 22 2HD2 LEU 22 3.161 -12.557 -12.557 161 2HD2 LEU 22 1HD2 LEU 22 4.550 -13.537 -13.537 162 3HD2 LEU 22 3HD2 LEU 22 2.921 -14.143 -14.143 163 H MET 23 H MET 23 -0.452 -16.012 -16.012 164 HA MET 23 HA MET 23 -2.237 -14.004 -14.004 165 1HB MET 23 2HB MET 23 -2.768 -16.565 -16.565 166 2HB MET 23 1HB MET 23 -2.155 -16.689 -16.689 167 1HG MET 23 2HG MET 23 -3.849 -15.407 -15.407 168 2HG MET 23 1HG MET 23 -4.374 -14.702 -14.702 169 1HE MET 23 3HE MET 23 -6.743 -15.027 -15.027 170 2HE MET 23 2HE MET 23 -7.657 -16.415 -16.415 171 3HE MET 23 1HE MET 23 -6.857 -15.407 -15.407 172 H ASN 24 H ASN 24 -0.288 -15.727 -15.727 173 HA ASN 24 HA ASN 24 -1.161 -13.693 -13.693 174 1HB ASN 24 2HB ASN 24 -0.065 -16.415 -16.415 175 2HB ASN 24 1HB ASN 24 0.898 -15.315 -15.315 176 1HD2 ASN 24 2HD2 ASN 24 -2.813 -16.222 -16.222 177 2HD2 ASN 24 1HD2 ASN 24 -2.166 -16.945 -16.945 178 H GLN 25 H GLN 25 0.963 -13.617 -13.617 179 HA GLN 25 HA GLN 25 3.144 -12.259 -12.259 180 1HB GLN 25 2HB GLN 25 2.807 -13.137 -13.137 181 2HB GLN 25 1HB GLN 25 3.547 -11.582 -11.582 182 1HG GLN 25 2HG GLN 25 4.613 -13.856 -13.856 183 2HG GLN 25 1HG GLN 25 5.118 -13.698 -13.698 184 1HE2 GLN 25 2HE2 GLN 25 6.935 -11.324 -11.324 185 2HE2 GLN 25 1HE2 GLN 25 6.187 -12.787 -12.787 186 H ILE 26 H ILE 26 0.740 -11.448 -11.448 187 HA ILE 26 HA ILE 26 1.081 -8.653 -8.653 188 HB ILE 26 HB ILE 26 -1.268 -8.423 -8.423 189 1HG1 ILE 26 2HG1 ILE 26 -1.320 -11.484 -11.484 190 2HG1 ILE 26 1HG1 ILE 26 -2.131 -10.624 -10.624 191 1HG2 ILE 26 2HG2 ILE 26 0.685 -8.687 -8.687 192 2HG2 ILE 26 1HG2 ILE 26 0.512 -10.444 -10.444 193 3HG2 ILE 26 3HG2 ILE 26 -0.716 -9.451 -9.451 194 1HD1 ILE 26 1HD1 ILE 26 -2.585 -10.091 -10.091 195 2HD1 ILE 26 3HD1 ILE 26 -3.675 -11.024 -11.024 196 3HD1 ILE 26 2HD1 ILE 26 -3.417 -9.305 -9.305 197 H LYS 27 H LYS 27 -0.796 -10.911 -10.911 198 HA LYS 27 HA LYS 27 -2.249 -8.923 -8.923 199 1HB LYS 27 2HB LYS 27 -2.908 -11.261 -11.261 200 2HB LYS 27 1HB LYS 27 -1.342 -11.802 -11.802 201 1HG LYS 27 2HG LYS 27 -3.160 -10.155 -10.155 202 2HG LYS 27 1HG LYS 27 -3.274 -11.896 -11.896 203 1HD LYS 27 2HD LYS 27 -0.698 -11.944 -11.944 204 2HD LYS 27 1HD LYS 27 -0.893 -10.263 -10.263 205 1HE LYS 27 2HE LYS 27 -2.502 -10.814 -10.814 206 2HE LYS 27 1HE LYS 27 -2.556 -12.502 -12.502 207 1HZ LYS 27 2HZ LYS 27 0.111 -11.850 -11.850 208 2HZ LYS 27 1HZ LYS 27 -0.766 -11.263 -11.263 209 3HZ LYS 27 3HZ LYS 27 -0.841 -12.919 -12.919 210 H ASN 28 H ASN 28 0.716 -10.600 -10.600 211 HA ASN 28 HA ASN 28 1.420 -9.104 -9.104 212 1HB ASN 28 2HB ASN 28 2.703 -11.183 -11.183 213 2HB ASN 28 1HB ASN 28 3.837 -10.106 -10.106 214 1HD2 ASN 28 2HD2 ASN 28 3.543 -11.964 -11.964 215 2HD2 ASN 28 1HD2 ASN 28 4.540 -11.131 -11.131 216 H GLN 29 H GLN 29 2.023 -8.453 -8.453 217 HA GLN 29 HA GLN 29 4.041 -6.378 -6.378 218 1HB GLN 29 2HB GLN 29 2.535 -7.024 -7.024 219 2HB GLN 29 1HB GLN 29 3.774 -5.793 -5.793 220 1HG GLN 29 2HG GLN 29 4.225 -8.769 -8.769 221 2HG GLN 29 1HG GLN 29 4.659 -7.961 -7.961 222 1HE2 GLN 29 2HE2 GLN 29 7.570 -6.491 -6.491 223 2HE2 GLN 29 1HE2 GLN 29 6.586 -6.502 -6.502 224 H LEU 30 H LEU 30 0.795 -6.500 -6.500 225 HA LEU 30 HA LEU 30 0.099 -3.876 -3.876 226 1HB LEU 30 2HB LEU 30 -1.320 -5.998 -5.998 227 2HB LEU 30 1HB LEU 30 -1.747 -5.930 -5.930 228 HG LEU 30 HG LEU 30 -3.518 -4.899 -4.899 229 1HD1 LEU 30 3HD1 LEU 30 -2.588 -3.385 -3.385 230 2HD1 LEU 30 2HD1 LEU 30 -1.775 -2.505 -2.505 231 3HD1 LEU 30 1HD1 LEU 30 -3.525 -2.620 -2.620 232 1HD2 LEU 30 3HD2 LEU 30 -2.233 -4.699 -4.699 233 2HD2 LEU 30 2HD2 LEU 30 -3.100 -3.229 -3.229 234 3HD2 LEU 30 1HD2 LEU 30 -1.379 -3.318 -3.318 235 H ALA 31 H ALA 31 -0.014 -5.752 -5.752 236 HA ALA 31 HA ALA 31 -0.965 -3.736 -3.736 237 1HB ALA 31 2HB ALA 31 -0.444 -6.107 -6.107 238 2HB ALA 31 1HB ALA 31 1.274 -5.751 -5.751 239 3HB ALA 31 3HB ALA 31 0.324 -4.965 -4.965 240 H GLN 32 H GLN 32 2.332 -4.255 -4.255 241 HA GLN 32 HA GLN 32 3.599 -2.192 -2.192 242 1HB GLN 32 2HB GLN 32 4.279 -3.208 -3.208 243 2HB GLN 32 1HB GLN 32 5.365 -2.265 -2.265 244 1HG GLN 32 2HG GLN 32 5.620 -4.015 -4.015 245 2HG GLN 32 1HG GLN 32 4.204 -4.883 -4.883 246 1HE2 GLN 32 2HE2 GLN 32 6.254 -6.907 -6.907 247 2HE2 GLN 32 1HE2 GLN 32 4.918 -6.758 -6.758 248 H LEU 33 H LEU 33 1.650 -2.140 -2.140 249 HA LEU 33 HA LEU 33 2.101 0.702 0.702 250 1HB LEU 33 2HB LEU 33 -0.097 -1.046 -1.046 251 2HB LEU 33 1HB LEU 33 0.776 0.265 0.265 252 HG LEU 33 HG LEU 33 1.957 -2.470 -2.470 253 1HD1 LEU 33 1HD1 LEU 33 1.432 -1.132 -1.132 254 2HD1 LEU 33 3HD1 LEU 33 2.216 -2.677 -2.677 255 3HD1 LEU 33 2HD1 LEU 33 0.522 -2.482 -2.482 256 1HD2 LEU 33 2HD2 LEU 33 3.671 -0.663 -0.663 257 2HD2 LEU 33 1HD2 LEU 33 3.998 -1.699 -1.699 258 3HD2 LEU 33 3HD2 LEU 33 3.311 -0.088 -0.088 259 H ASN 34 H ASN 34 -0.306 -1.371 -1.371 260 HA ASN 34 HA ASN 34 -2.302 0.629 0.629 261 1HB ASN 34 2HB ASN 34 -2.565 -1.926 -1.926 262 2HB ASN 34 1HB ASN 34 -1.746 -1.728 -1.728 263 1HD2 ASN 34 2HD2 ASN 34 -4.874 -1.254 -1.254 264 2HD2 ASN 34 1HD2 ASN 34 -3.474 -2.210 -2.210 265 H GLY 35 H GLY 35 -0.125 -0.625 -0.625 266 1HA GLY 35 2HA GLY 35 -0.542 1.166 1.166 267 2HA GLY 35 1HA GLY 35 1.053 0.495 0.495 268 H SER 36 H SER 36 1.744 1.622 1.622 269 HA SER 36 HA SER 36 2.411 4.302 4.302 270 1HB SER 36 2HB SER 36 3.494 4.387 4.387 271 2HB SER 36 1HB SER 36 3.965 3.015 3.015 272 HG SER 36 HG SER 36 3.030 1.746 1.746 273 H ALA 37 H ALA 37 0.313 3.044 3.044 274 HA ALA 37 HA ALA 37 -0.642 5.218 5.218 275 1HB ALA 37 2HB ALA 37 -1.715 3.005 3.005 276 2HB ALA 37 1HB ALA 37 -2.509 3.247 3.247 277 3HB ALA 37 3HB ALA 37 -2.860 4.305 4.305 278 H ASN 38 H ASN 38 -1.329 4.426 4.426 279 HA ASN 38 HA ASN 38 -3.019 6.870 6.870 280 1HB ASN 38 2HB ASN 38 -3.637 4.771 4.771 281 2HB ASN 38 1HB ASN 38 -2.114 4.801 4.801 282 1HD2 ASN 38 2HD2 ASN 38 -3.918 8.087 8.087 283 2HD2 ASN 38 1HD2 ASN 38 -3.106 8.104 8.104 284 H ALA 39 H ALA 39 0.154 5.716 5.716 285 HA ALA 39 HA ALA 39 0.757 8.277 8.277 286 1HB ALA 39 2HB ALA 39 1.697 5.969 5.969 287 2HB ALA 39 1HB ALA 39 2.528 5.838 5.838 288 3HB ALA 39 3HB ALA 39 3.012 7.080 7.080 289 H LEU 40 H LEU 40 2.333 6.544 6.544 290 HA LEU 40 HA LEU 40 4.025 8.425 8.425 291 1HB LEU 40 2HB LEU 40 3.636 6.275 6.275 292 2HB LEU 40 1HB LEU 40 2.012 6.739 6.739 293 HG LEU 40 HG LEU 40 4.361 7.035 7.035 294 1HD1 LEU 40 2HD1 LEU 40 1.715 8.532 8.532 295 2HD1 LEU 40 1HD1 LEU 40 2.811 8.333 8.333 296 3HD1 LEU 40 3HD1 LEU 40 2.052 6.927 6.927 297 1HD2 LEU 40 3HD2 LEU 40 4.932 9.232 9.232 298 2HD2 LEU 40 2HD2 LEU 40 4.546 9.429 9.429 299 3HD2 LEU 40 1HD2 LEU 40 3.335 9.720 9.720 300 H PHE 41 H PHE 41 0.615 8.075 8.075 301 HA PHE 41 HA PHE 41 -0.133 10.228 10.228 302 1HB PHE 41 2HB PHE 41 -1.805 8.840 8.840 303 2HB PHE 41 1HB PHE 41 -1.407 9.463 9.463 304 HD1 PHE 41 HD2 PHE 41 -1.598 11.844 11.844 305 HD2 PHE 41 HD1 PHE 41 -3.660 10.006 10.006 306 HE1 PHE 41 HE2 PHE 41 -3.426 13.458 13.458 307 HE2 PHE 41 HE1 PHE 41 -5.495 11.658 11.658 308 HZ PHE 41 HZ PHE 41 -5.307 13.392 13.392 309 H ILE 42 H ILE 42 0.331 10.595 10.595 310 HA ILE 42 HA ILE 42 0.050 13.453 13.453 311 HB ILE 42 HB ILE 42 0.826 11.219 11.219 312 1HG1 ILE 42 2HG1 ILE 42 -1.069 12.002 12.002 313 2HG1 ILE 42 1HG1 ILE 42 -1.164 13.467 13.467 314 1HG2 ILE 42 3HG2 ILE 42 1.220 14.109 14.109 315 2HG2 ILE 42 2HG2 ILE 42 1.207 12.726 12.726 316 3HG2 ILE 42 1HG2 ILE 42 2.480 12.877 12.877 317 1HD1 ILE 42 3HD1 ILE 42 -1.559 12.015 12.015 318 2HD1 ILE 42 2HD1 ILE 42 -1.502 10.595 10.595 319 3HD1 ILE 42 1HD1 ILE 42 -2.661 11.869 11.869 320 H SER 43 H SER 43 2.484 11.429 11.429 321 HA SER 43 HA SER 43 4.631 13.362 13.362 322 1HB SER 43 2HB SER 43 6.173 11.229 11.229 323 2HB SER 43 1HB SER 43 5.355 11.183 11.183 324 HG SER 43 HG SER 43 3.666 10.366 10.366 325 H TYR 44 H TYR 44 2.915 12.244 12.244 326 HA TYR 44 HA TYR 44 4.777 13.094 13.094 327 1HB TYR 44 2HB TYR 44 3.654 11.285 11.285 328 2HB TYR 44 1HB TYR 44 2.230 11.500 11.500 329 HD1 TYR 44 HD1 TYR 44 4.006 13.491 13.491 330 HD2 TYR 44 HD2 TYR 44 0.328 11.849 11.849 331 HE1 TYR 44 HE1 TYR 44 3.032 14.529 14.529 332 HE2 TYR 44 HE2 TYR 44 -0.726 12.813 12.813 333 HH TYR 44 HH TYR 44 0.979 15.085 15.085 334 H TYR 45 H TYR 45 1.393 13.798 13.798 335 HA TYR 45 HA TYR 45 1.468 16.200 16.200 336 1HB TYR 45 2HB TYR 45 -0.910 16.437 16.437 337 2HB TYR 45 1HB TYR 45 -0.591 14.745 14.745 338 HD1 TYR 45 HD1 TYR 45 -0.153 17.627 17.627 339 HD2 TYR 45 HD2 TYR 45 -1.800 13.729 13.729 340 HE1 TYR 45 HE1 TYR 45 -1.002 17.688 17.688 341 HE2 TYR 45 HE2 TYR 45 -2.671 13.836 13.836 342 HH TYR 45 HH TYR 45 -2.003 16.533 16.533 343 H THR 46 H THR 46 2.151 15.832 15.832 344 HA THR 46 HA THR 46 2.046 18.570 18.570 345 HB THR 46 HB THR 46 3.984 17.899 17.899 346 HG1 THR 46 HG1 THR 46 5.074 16.185 16.185 347 1HG2 THR 46 2HG2 THR 46 1.656 15.911 15.911 348 2HG2 THR 46 1HG2 THR 46 2.689 16.130 16.130 349 3HG2 THR 46 3HG2 THR 46 1.613 17.413 17.413 350 H ALA 47 H ALA 47 4.595 16.760 16.760 351 HA ALA 47 HA ALA 47 6.636 18.604 18.604 352 1HB ALA 47 2HB ALA 47 6.751 16.256 16.256 353 2HB ALA 47 1HB ALA 47 5.663 16.758 16.758 354 3HB ALA 47 3HB ALA 47 7.277 17.446 17.446 355 H GLN 48 H GLN 48 3.605 18.544 18.544 356 HA GLN 48 HA GLN 48 4.846 20.672 20.672 357 1HB GLN 48 2HB GLN 48 1.882 20.046 20.046 358 2HB GLN 48 1HB GLN 48 2.641 21.061 21.061 359 1HG GLN 48 2HG GLN 48 2.474 19.079 19.079 360 2HG GLN 48 1HG GLN 48 4.086 19.007 19.007 361 1HE2 GLN 48 2HE2 GLN 48 3.439 16.035 16.035 362 2HE2 GLN 48 1HE2 GLN 48 4.561 17.084 17.084 363 H GLY 49 H GLY 49 2.451 20.648 20.648 364 1HA GLY 49 2HA GLY 49 2.600 22.353 22.353 365 2HA GLY 49 1HA GLY 49 3.125 23.499 23.499 366 H GLU 50 H GLU 50 1.015 23.748 23.748 367 HA GLU 50 HA GLU 50 -1.578 23.291 23.291 368 1HB GLU 50 2HB GLU 50 -0.153 25.732 25.732 369 2HB GLU 50 1HB GLU 50 -1.879 25.787 25.787 370 1HG GLU 50 2HG GLU 50 -1.817 23.499 23.499 371 2HG GLU 50 1HG GLU 50 -0.122 23.860 23.860 372 HA PRO 51 HA PRO 51 -3.574 24.998 24.998 373 1HB PRO 51 2HB PRO 51 -5.934 25.446 25.446 374 2HB PRO 51 1HB PRO 51 -4.769 26.771 26.771 375 1HG PRO 51 2HG PRO 51 -5.237 24.945 24.945 376 2HG PRO 51 1HG PRO 51 -5.327 26.707 26.707 377 1HD PRO 51 2HD PRO 51 -3.009 25.456 25.456 378 2HD PRO 51 1HD PRO 51 -2.938 26.929 26.929 379 H PHE 52 H PHE 52 -3.029 22.794 22.794 380 HA PHE 52 HA PHE 52 -5.039 20.906 20.906 381 1HB PHE 52 2HB PHE 52 -2.060 20.698 20.698 382 2HB PHE 52 1HB PHE 52 -2.999 19.223 19.223 383 HD1 PHE 52 HD1 PHE 52 -2.857 22.422 22.422 384 HD2 PHE 52 HD2 PHE 52 -4.230 18.391 18.391 385 HE1 PHE 52 HE1 PHE 52 -3.622 22.543 22.543 386 HE2 PHE 52 HE2 PHE 52 -4.994 18.507 18.507 387 HZ PHE 52 HZ PHE 52 -4.686 20.542 20.542 388 HA PRO 53 HA PRO 53 -2.894 18.292 18.292 389 1HB PRO 53 2HB PRO 53 -1.796 20.077 20.077 390 2HB PRO 53 1HB PRO 53 -0.857 19.031 19.031 391 1HG PRO 53 2HG PRO 53 -1.681 21.923 21.923 392 2HG PRO 53 1HG PRO 53 -0.124 21.176 21.176 393 1HD PRO 53 2HD PRO 53 -1.746 21.565 21.565 394 2HD PRO 53 1HD PRO 53 -1.055 19.944 19.944 395 H ASN 54 H ASN 54 -4.685 21.009 21.009 396 HA ASN 54 HA ASN 54 -6.089 20.016 20.016 397 1HB ASN 54 2HB ASN 54 -5.214 22.401 22.401 398 2HB ASN 54 1HB ASN 54 -6.413 22.797 22.797 399 1HD2 ASN 54 2HD2 ASN 54 -8.966 22.983 22.983 400 2HD2 ASN 54 1HD2 ASN 54 -8.485 23.362 23.362 401 H ASN 55 H ASN 55 -6.620 20.708 20.708 402 HA ASN 55 HA ASN 55 -9.495 19.847 19.847 403 1HB ASN 55 2HB ASN 55 -8.205 21.828 21.828 404 2HB ASN 55 1HB ASN 55 -9.885 21.304 21.304 405 1HD2 ASN 55 2HD2 ASN 55 -8.853 24.293 24.293 406 2HD2 ASN 55 1HD2 ASN 55 -7.747 23.578 23.578 407 H LEU 56 H LEU 56 -6.892 18.478 18.478 408 HA LEU 56 HA LEU 56 -6.612 17.636 17.636 409 1HB LEU 56 2HB LEU 56 -5.198 15.922 15.922 410 2HB LEU 56 1HB LEU 56 -5.106 17.204 17.204 411 HG LEU 56 HG LEU 56 -7.130 15.874 15.874 412 1HD1 LEU 56 3HD1 LEU 56 -7.263 14.248 14.248 413 2HD1 LEU 56 2HD1 LEU 56 -5.637 13.785 13.785 414 3HD1 LEU 56 1HD1 LEU 56 -6.966 13.478 13.478 415 1HD2 LEU 56 1HD2 LEU 56 -4.792 16.070 16.070 416 2HD2 LEU 56 3HD2 LEU 56 -5.514 14.492 14.492 417 3HD2 LEU 56 2HD2 LEU 56 -4.336 14.697 14.697 418 H ASP 57 H ASP 57 -8.766 16.742 16.742 419 HA ASP 57 HA ASP 57 -9.878 14.518 14.518 420 1HB ASP 57 2HB ASP 57 -11.441 16.766 16.766 421 2HB ASP 57 1HB ASP 57 -11.977 15.103 15.103 422 H LYS 58 H LYS 58 -10.415 17.691 17.691 423 HA LYS 58 HA LYS 58 -12.510 16.726 16.726 424 1HB LYS 58 2HB LYS 58 -13.044 18.518 18.518 425 2HB LYS 58 1HB LYS 58 -11.833 19.538 19.538 426 1HG LYS 58 2HG LYS 58 -13.146 19.769 19.769 427 2HG LYS 58 1HG LYS 58 -14.199 18.441 18.441 428 1HD LYS 58 2HD LYS 58 -15.291 20.658 20.658 429 2HD LYS 58 1HD LYS 58 -15.187 19.729 19.729 430 1HE LYS 58 2HE LYS 58 -13.112 21.082 21.082 431 2HE LYS 58 1HE LYS 58 -13.330 22.038 22.038 432 1HZ LYS 58 3HZ LYS 58 -15.777 22.012 22.012 433 2HZ LYS 58 2HZ LYS 58 -14.496 22.363 22.363 434 3HZ LYS 58 1HZ LYS 58 -14.757 23.325 23.325 435 H LEU 59 H LEU 59 -9.448 18.388 18.388 436 HA LEU 59 HA LEU 59 -9.157 18.823 18.823 437 1HB LEU 59 2HB LEU 59 -7.389 19.359 19.359 438 2HB LEU 59 1HB LEU 59 -6.847 19.593 19.593 439 HG LEU 59 HG LEU 59 -7.821 21.621 21.621 440 1HD1 LEU 59 2HD1 LEU 59 -10.358 20.655 20.655 441 2HD1 LEU 59 1HD1 LEU 59 -10.139 22.176 22.176 442 3HD1 LEU 59 3HD1 LEU 59 -10.089 20.674 20.674 443 1HD2 LEU 59 2HD2 LEU 59 -6.983 21.717 21.717 444 2HD2 LEU 59 1HD2 LEU 59 -8.408 22.734 22.734 445 3HD2 LEU 59 3HD2 LEU 59 -8.542 21.143 21.143 446 H CYS 60 H CYS 60 -8.561 16.220 16.220 447 HA CYS 60 HA CYS 60 -6.629 15.000 15.000 448 1HB CYS 60 2HB CYS 60 -6.825 14.494 14.494 449 2HB CYS 60 1HB CYS 60 -5.826 13.679 13.679 450 H GLY 61 H GLY 61 -9.618 15.206 15.206 451 1HA GLY 61 2HA GLY 61 -11.495 13.820 13.820 452 2HA GLY 61 1HA GLY 61 -11.042 13.522 13.522 453 HA PRO 62 HA PRO 62 -9.023 9.979 9.979 454 1HB PRO 62 2HB PRO 62 -8.826 9.900 9.900 455 2HB PRO 62 1HB PRO 62 -7.856 11.107 11.107 456 1HG PRO 62 2HG PRO 62 -10.721 11.526 11.526 457 2HG PRO 62 1HG PRO 62 -9.266 12.403 12.403 458 1HD PRO 62 2HD PRO 62 -10.674 13.450 13.450 459 2HD PRO 62 1HD PRO 62 -8.939 13.298 13.298 460 H ASN 63 H ASN 63 -11.518 10.247 10.247 461 HA ASN 63 HA ASN 63 -12.852 7.995 7.995 462 1HB ASN 63 2HB ASN 63 -13.764 10.451 10.451 463 2HB ASN 63 1HB ASN 63 -14.412 10.254 10.254 464 1HD2 ASN 63 2HD2 ASN 63 -16.795 8.998 8.998 465 2HD2 ASN 63 1HD2 ASN 63 -15.891 10.429 10.429 466 H VAL 64 H VAL 64 -13.637 9.827 9.827 467 HA VAL 64 HA VAL 64 -13.221 7.354 7.354 468 HB VAL 64 HB VAL 64 -15.629 9.231 9.231 469 1HG1 VAL 64 2HG1 VAL 64 -15.060 6.471 6.471 470 2HG1 VAL 64 1HG1 VAL 64 -16.530 7.401 7.401 471 3HG1 VAL 64 3HG1 VAL 64 -15.017 7.983 7.983 472 1HG2 VAL 64 1HG2 VAL 64 -15.478 6.484 6.484 473 2HG2 VAL 64 3HG2 VAL 64 -15.777 7.989 7.989 474 3HG2 VAL 64 2HG2 VAL 64 -16.960 7.373 7.373 475 H THR 65 H THR 65 -13.778 10.945 10.945 476 HA THR 65 HA THR 65 -12.816 12.291 12.291 477 HB THR 65 HB THR 65 -10.626 10.184 10.184 478 HG1 THR 65 HG1 THR 65 -10.763 11.418 11.418 479 1HG2 THR 65 2HG2 THR 65 -10.202 12.809 12.809 480 2HG2 THR 65 1HG2 THR 65 -8.966 11.737 11.737 481 3HG2 THR 65 3HG2 THR 65 -9.909 11.215 11.215 482 H ASP 66 H ASP 66 -11.327 11.385 11.385 483 HA ASP 66 HA ASP 66 -13.541 10.016 10.016 484 1HB ASP 66 2HB ASP 66 -12.449 10.921 10.921 485 2HB ASP 66 1HB ASP 66 -12.644 12.239 12.239 486 H PHE 67 H PHE 67 -11.522 8.563 8.563 487 HA PHE 67 HA PHE 67 -9.879 7.180 7.180 488 1HB PHE 67 2HB PHE 67 -8.635 6.558 6.558 489 2HB PHE 67 1HB PHE 67 -9.637 7.616 7.616 490 HD1 PHE 67 HD2 PHE 67 -11.954 6.599 6.599 491 HD2 PHE 67 HD1 PHE 67 -8.538 4.246 4.246 492 HE1 PHE 67 HE2 PHE 67 -12.851 4.750 4.750 493 HE2 PHE 67 HE1 PHE 67 -9.427 2.402 2.402 494 HZ PHE 67 HZ PHE 67 -11.624 2.647 2.647 495 HA PRO 68 HA PRO 68 -12.591 3.852 3.852 496 1HB PRO 68 2HB PRO 68 -11.066 1.592 1.592 497 2HB PRO 68 1HB PRO 68 -10.873 2.781 2.781 498 1HG PRO 68 2HG PRO 68 -9.375 2.636 2.636 499 2HG PRO 68 1HG PRO 68 -8.687 2.701 2.701 500 1HD PRO 68 2HD PRO 68 -8.948 4.978 4.978 501 2HD PRO 68 1HD PRO 68 -9.393 5.030 5.030 502 HA PRO 69 HA PRO 69 -14.224 2.806 2.806 503 1HB PRO 69 2HB PRO 69 -16.685 1.874 1.874 504 2HB PRO 69 1HB PRO 69 -16.318 3.567 3.567 505 1HG PRO 69 2HG PRO 69 -16.058 2.099 2.099 506 2HG PRO 69 1HG PRO 69 -16.935 3.605 3.605 507 1HD PRO 69 2HD PRO 69 -14.492 3.820 3.820 508 2HD PRO 69 1HD PRO 69 -14.832 4.827 4.827 509 H PHE 70 H PHE 70 -12.475 1.232 1.232 510 HA PHE 70 HA PHE 70 -12.422 -1.316 -1.316 511 1HB PHE 70 2HB PHE 70 -10.601 -0.328 -0.328 512 2HB PHE 70 1HB PHE 70 -11.678 -0.617 -0.617 513 HD1 PHE 70 HD2 PHE 70 -12.456 -3.084 -3.084 514 HD2 PHE 70 HD1 PHE 70 -9.134 -2.118 -2.118 515 HE1 PHE 70 HE2 PHE 70 -11.669 -5.391 -5.391 516 HE2 PHE 70 HE1 PHE 70 -8.380 -4.446 -4.446 517 HZ PHE 70 HZ PHE 70 -9.615 -6.050 -6.050 518 H HIS 71 H HIS 71 -14.192 -2.675 -2.675 519 HA HIS 71 HA HIS 71 -15.490 -3.251 -3.251 520 1HB HIS 71 2HB HIS 71 -16.751 -1.558 -1.558 521 2HB HIS 71 1HB HIS 71 -17.118 -2.908 -2.908 522 HD1 HIS 71 HD1 HIS 71 -18.150 -5.041 -5.041 523 HD2 HIS 71 HD2 HIS 71 -18.553 -1.267 -1.267 524 HE1 HIS 71 HE1 HIS 71 -19.926 -5.160 -5.160 525 H ALA 72 H ALA 72 -14.059 -5.093 -5.093 526 HA ALA 72 HA ALA 72 -13.614 -7.171 -7.171 527 1HB ALA 72 2HB ALA 72 -14.750 -7.560 -7.560 528 2HB ALA 72 1HB ALA 72 -13.913 -8.754 -8.754 529 3HB ALA 72 3HB ALA 72 -13.042 -7.300 -7.300 530 H ASN 73 H ASN 73 -15.590 -6.899 -6.899 531 HA ASN 73 HA ASN 73 -17.852 -8.701 -8.701 532 1HB ASN 73 2HB ASN 73 -17.555 -6.347 -6.347 533 2HB ASN 73 1HB ASN 73 -18.773 -7.565 -7.565 534 1HD2 ASN 73 2HD2 ASN 73 -20.816 -5.627 -5.627 535 2HD2 ASN 73 1HD2 ASN 73 -20.520 -5.983 -5.983 536 H GLY 74 H GLY 74 -15.363 -9.550 -9.550 537 1HA GLY 74 2HA GLY 74 -16.042 -11.111 -11.111 538 2HA GLY 74 1HA GLY 74 -14.409 -10.516 -10.516 539 H THR 75 H THR 75 -13.576 -11.019 -11.019 540 HA THR 75 HA THR 75 -13.665 -12.666 -12.666 541 HB THR 75 HB THR 75 -14.673 -14.593 -14.593 542 HG1 THR 75 HG1 THR 75 -13.336 -16.025 -16.025 543 1HG2 THR 75 1HG2 THR 75 -13.473 -13.918 -13.918 544 2HG2 THR 75 3HG2 THR 75 -11.995 -14.505 -14.505 545 3HG2 THR 75 2HG2 THR 75 -13.304 -15.613 -15.613 546 H GLU 76 H GLU 76 -11.247 -14.219 -14.219 547 HA GLU 76 HA GLU 76 -9.197 -12.327 -12.327 548 1HB GLU 76 2HB GLU 76 -9.087 -14.924 -14.924 549 2HB GLU 76 1HB GLU 76 -7.674 -13.891 -13.891 550 1HG GLU 76 2HG GLU 76 -7.586 -15.608 -15.608 551 2HG GLU 76 1HG GLU 76 -7.869 -14.053 -14.053 552 H LYS 77 H LYS 77 -10.585 -13.523 -13.523 553 HA LYS 77 HA LYS 77 -9.280 -12.008 -12.008 554 1HB LYS 77 2HB LYS 77 -11.349 -13.736 -13.736 555 2HB LYS 77 1HB LYS 77 -12.364 -12.353 -12.353 556 1HG LYS 77 2HG LYS 77 -11.385 -11.200 -11.200 557 2HG LYS 77 1HG LYS 77 -10.333 -12.583 -12.583 558 1HD LYS 77 2HD LYS 77 -12.364 -14.067 -14.067 559 2HD LYS 77 1HD LYS 77 -13.413 -12.679 -12.679 560 1HE LYS 77 2HE LYS 77 -11.342 -13.194 -13.194 561 2HE LYS 77 1HE LYS 77 -13.076 -13.345 -13.345 562 1HZ LYS 77 3HZ LYS 77 -12.586 -10.738 -10.738 563 2HZ LYS 77 2HZ LYS 77 -11.457 -11.060 -11.060 564 3HZ LYS 77 1HZ LYS 77 -13.103 -11.170 -11.170 565 H ALA 78 H ALA 78 -12.028 -10.751 -10.751 566 HA ALA 78 HA ALA 78 -11.424 -8.163 -8.163 567 1HB ALA 78 1HB ALA 78 -13.550 -8.639 -8.639 568 2HB ALA 78 3HB ALA 78 -13.301 -7.167 -7.167 569 3HB ALA 78 2HB ALA 78 -13.845 -8.606 -8.606 570 H LYS 79 H LYS 79 -11.213 -9.653 -9.653 571 HA LYS 79 HA LYS 79 -10.541 -7.411 -7.411 572 1HB LYS 79 2HB LYS 79 -9.505 -10.265 -10.265 573 2HB LYS 79 1HB LYS 79 -9.386 -9.100 -9.100 574 1HG LYS 79 2HG LYS 79 -11.756 -8.992 -8.992 575 2HG LYS 79 1HG LYS 79 -12.121 -9.621 -9.621 576 1HD LYS 79 2HD LYS 79 -12.630 -11.416 -11.416 577 2HD LYS 79 1HD LYS 79 -11.005 -11.821 -11.821 578 1HE LYS 79 2HE LYS 79 -10.341 -10.413 -10.413 579 2HE LYS 79 1HE LYS 79 -11.932 -10.906 -10.906 580 1HZ LYS 79 3HZ LYS 79 -10.550 -13.199 -13.199 581 2HZ LYS 79 2HZ LYS 79 -9.596 -12.316 -12.316 582 3HZ LYS 79 1HZ LYS 79 -11.090 -12.901 -12.901 583 H LEU 80 H LEU 80 -8.537 -9.418 -9.418 584 HA LEU 80 HA LEU 80 -6.123 -7.831 -7.831 585 1HB LEU 80 2HB LEU 80 -6.766 -10.401 -10.401 586 2HB LEU 80 1HB LEU 80 -5.290 -9.575 -9.575 587 HG LEU 80 HG LEU 80 -4.548 -9.594 -9.594 588 1HD1 LEU 80 3HD1 LEU 80 -7.174 -11.024 -11.024 589 2HD1 LEU 80 2HD1 LEU 80 -5.841 -10.775 -10.775 590 3HD1 LEU 80 1HD1 LEU 80 -6.744 -9.406 -9.406 591 1HD2 LEU 80 2HD2 LEU 80 -5.537 -12.325 -12.325 592 2HD2 LEU 80 1HD2 LEU 80 -4.030 -11.549 -11.549 593 3HD2 LEU 80 3HD2 LEU 80 -4.302 -12.035 -12.035 594 H VAL 81 H VAL 81 -8.146 -8.542 -8.542 595 HA VAL 81 HA VAL 81 -6.705 -6.802 -6.802 596 HB VAL 81 HB VAL 81 -9.673 -7.492 -7.492 597 1HG1 VAL 81 2HG1 VAL 81 -8.288 -5.839 -5.839 598 2HG1 VAL 81 1HG1 VAL 81 -9.903 -6.512 -6.512 599 3HG1 VAL 81 3HG1 VAL 81 -9.572 -5.300 -5.300 600 1HG2 VAL 81 3HG2 VAL 81 -7.424 -8.364 -8.364 601 2HG2 VAL 81 2HG2 VAL 81 -8.122 -9.328 -9.328 602 3HG2 VAL 81 1HG2 VAL 81 -9.099 -8.884 -8.884 603 H GLU 82 H GLU 82 -9.247 -6.059 -6.059 604 HA GLU 82 HA GLU 82 -9.432 -3.267 -3.267 605 1HB GLU 82 2HB GLU 82 -11.128 -4.779 -4.779 606 2HB GLU 82 1HB GLU 82 -10.125 -4.703 -4.703 607 1HG GLU 82 2HG GLU 82 -11.681 -3.081 -3.081 608 2HG GLU 82 1HG GLU 82 -10.388 -2.095 -2.095 609 H LEU 83 H LEU 83 -7.672 -5.150 -5.150 610 HA LEU 83 HA LEU 83 -6.420 -3.033 -3.033 611 1HB LEU 83 2HB LEU 83 -6.079 -5.314 -5.314 612 2HB LEU 83 1HB LEU 83 -5.520 -5.860 -5.860 613 HG LEU 83 HG LEU 83 -3.460 -4.347 -4.347 614 1HD1 LEU 83 2HD1 LEU 83 -4.397 -2.924 -2.924 615 2HD1 LEU 83 1HD1 LEU 83 -4.443 -4.337 -4.337 616 3HD1 LEU 83 3HD1 LEU 83 -2.909 -3.716 -3.716 617 1HD2 LEU 83 3HD2 LEU 83 -3.447 -6.787 -6.787 618 2HD2 LEU 83 2HD2 LEU 83 -2.355 -6.066 -6.066 619 3HD2 LEU 83 1HD2 LEU 83 -3.903 -6.689 -6.689 620 H TYR 84 H TYR 84 -5.070 -4.951 -4.951 621 HA TYR 84 HA TYR 84 -2.872 -3.747 -3.747 622 1HB TYR 84 2HB TYR 84 -3.976 -5.794 -5.794 623 2HB TYR 84 1HB TYR 84 -5.136 -4.943 -4.943 624 HD1 TYR 84 HD1 TYR 84 -4.044 -3.128 -3.128 625 HD2 TYR 84 HD2 TYR 84 -2.077 -6.434 -6.434 626 HE1 TYR 84 HE1 TYR 84 -2.408 -2.984 -2.984 627 HE2 TYR 84 HE2 TYR 84 -0.420 -6.378 -6.378 628 HH TYR 84 HH TYR 84 -0.692 -4.558 -4.558 629 H ARG 85 H ARG 85 -5.744 -3.274 -3.274 630 HA ARG 85 HA ARG 85 -5.316 -0.980 -0.980 631 1HB ARG 85 2HB ARG 85 -7.472 -2.378 -2.378 632 2HB ARG 85 1HB ARG 85 -7.896 -1.460 -1.460 633 1HG ARG 85 2HG ARG 85 -8.068 0.591 0.591 634 2HG ARG 85 1HG ARG 85 -7.320 -0.113 -0.113 635 1HD ARG 85 2HD ARG 85 -9.639 -0.237 -0.237 636 2HD ARG 85 1HD ARG 85 -9.292 -1.819 -1.819 637 HE ARG 85 HE ARG 85 -10.553 -1.400 -1.400 638 1HH1 ARG 85 2HH1 ARG 85 -10.264 1.374 1.374 639 2HH1 ARG 85 1HH1 ARG 85 -11.618 2.179 2.179 640 1HH2 ARG 85 1HH2 ARG 85 -12.202 -0.440 -0.440 641 2HH2 ARG 85 2HH2 ARG 85 -12.757 1.114 1.114 642 H MET 86 H MET 86 -6.674 -0.981 -0.981 643 HA MET 86 HA MET 86 -6.741 1.693 1.693 644 1HB MET 86 2HB MET 86 -7.796 -0.079 -0.079 645 2HB MET 86 1HB MET 86 -6.249 -0.600 -0.600 646 1HG MET 86 2HG MET 86 -5.977 1.814 1.814 647 2HG MET 86 1HG MET 86 -7.678 1.963 1.963 648 1HE MET 86 2HE MET 86 -5.150 -0.461 -0.461 649 2HE MET 86 1HE MET 86 -5.096 1.143 1.143 650 3HE MET 86 3HE MET 86 -5.731 -0.245 -0.245 651 H VAL 87 H VAL 87 -4.116 -0.483 -0.483 652 HA VAL 87 HA VAL 87 -2.241 1.260 1.260 653 HB VAL 87 HB VAL 87 -2.215 -1.550 -1.550 654 1HG1 VAL 87 1HG1 VAL 87 0.113 -0.534 -0.534 655 2HG1 VAL 87 3HG1 VAL 87 -0.088 -0.073 -0.073 656 3HG1 VAL 87 2HG1 VAL 87 0.016 -1.781 -1.781 657 1HG2 VAL 87 3HG2 VAL 87 -3.549 -1.307 -1.307 658 2HG2 VAL 87 2HG2 VAL 87 -2.128 -2.287 -2.287 659 3HG2 VAL 87 1HG2 VAL 87 -2.180 -0.624 -0.624 660 H ALA 88 H ALA 88 -3.085 0.269 0.269 661 HA ALA 88 HA ALA 88 -0.493 1.025 1.025 662 1HB ALA 88 2HB ALA 88 -3.192 0.406 0.406 663 2HB ALA 88 1HB ALA 88 -1.648 0.578 0.578 664 3HB ALA 88 3HB ALA 88 -1.920 -0.733 -0.733 665 H TYR 89 H TYR 89 -3.850 2.274 2.274 666 HA TYR 89 HA TYR 89 -3.135 4.787 4.787 667 1HB TYR 89 2HB TYR 89 -5.348 5.513 5.513 668 2HB TYR 89 1HB TYR 89 -5.604 3.799 3.799 669 HD1 TYR 89 HD1 TYR 89 -4.919 6.953 6.953 670 HD2 TYR 89 HD2 TYR 89 -6.280 2.964 2.964 671 HE1 TYR 89 HE1 TYR 89 -5.657 7.313 7.313 672 HE2 TYR 89 HE2 TYR 89 -7.020 3.352 3.352 673 HH TYR 89 HH TYR 89 -6.527 4.875 4.875 674 H LEU 90 H LEU 90 -3.389 3.779 3.779 675 HA LEU 90 HA LEU 90 -2.531 6.298 6.298 676 1HB LEU 90 2HB LEU 90 -3.700 4.563 4.563 677 2HB LEU 90 1HB LEU 90 -2.316 3.498 3.498 678 HG LEU 90 HG LEU 90 -2.060 6.264 6.264 679 1HD1 LEU 90 3HD1 LEU 90 -3.874 5.006 5.006 680 2HD1 LEU 90 2HD1 LEU 90 -2.781 3.651 3.651 681 3HD1 LEU 90 1HD1 LEU 90 -2.424 5.185 5.185 682 1HD2 LEU 90 2HD2 LEU 90 -0.521 3.640 3.640 683 2HD2 LEU 90 1HD2 LEU 90 0.098 5.065 5.065 684 3HD2 LEU 90 3HD2 LEU 90 -0.258 5.134 5.134 685 H SER 91 H SER 91 -0.714 3.316 3.316 686 HA SER 91 HA SER 91 1.851 3.982 3.982 687 1HB SER 91 2HB SER 91 1.431 1.890 1.890 688 2HB SER 91 1HB SER 91 1.468 2.966 2.966 689 HG SER 91 HG SER 91 3.485 2.026 2.026 690 H ALA 92 H ALA 92 0.351 5.058 5.058 691 HA ALA 92 HA ALA 92 2.439 6.802 6.802 692 1HB ALA 92 1HB ALA 92 0.599 5.952 5.952 693 2HB ALA 92 3HB ALA 92 -0.581 6.875 6.875 694 3HB ALA 92 2HB ALA 92 0.636 7.710 7.710 695 H SER 93 H SER 93 -0.669 7.537 7.537 696 HA SER 93 HA SER 93 -0.411 10.263 10.263 697 1HB SER 93 2HB SER 93 -1.389 8.320 8.320 698 2HB SER 93 1HB SER 93 -1.877 10.008 10.008 699 HG SER 93 HG SER 93 -3.246 9.408 9.408 700 H LEU 94 H LEU 94 0.941 7.775 7.775 701 HA LEU 94 HA LEU 94 2.253 9.436 9.436 702 1HB LEU 94 2HB LEU 94 2.011 6.579 6.579 703 2HB LEU 94 1HB LEU 94 3.669 6.968 6.968 704 HG LEU 94 HG LEU 94 3.083 7.933 7.933 705 1HD1 LEU 94 2HD1 LEU 94 0.194 7.173 7.173 706 2HD1 LEU 94 1HD1 LEU 94 0.746 7.717 7.717 707 3HD1 LEU 94 3HD1 LEU 94 0.769 8.815 8.815 708 1HD2 LEU 94 2HD2 LEU 94 1.855 5.184 5.184 709 2HD2 LEU 94 1HD2 LEU 94 3.527 5.511 5.511 710 3HD2 LEU 94 3HD2 LEU 94 2.287 5.833 5.833 711 H THR 95 H THR 95 3.561 7.591 7.591 712 HA THR 95 HA THR 95 6.200 8.471 8.471 713 HB THR 95 HB THR 95 4.515 7.848 7.848 714 HG1 THR 95 HG1 THR 95 4.611 6.126 6.126 715 1HG2 THR 95 2HG2 THR 95 7.545 7.737 7.737 716 2HG2 THR 95 1HG2 THR 95 6.793 7.341 7.341 717 3HG2 THR 95 3HG2 THR 95 6.851 9.005 9.005 718 H ASN 96 H ASN 96 3.593 10.096 10.096 719 HA ASN 96 HA ASN 96 5.110 12.221 12.221 720 1HB ASN 96 2HB ASN 96 2.229 12.164 12.164 721 2HB ASN 96 1HB ASN 96 2.902 13.524 13.524 722 1HD2 ASN 96 2HD2 ASN 96 1.852 10.227 10.227 723 2HD2 ASN 96 1HD2 ASN 96 1.580 10.304 10.304 724 H ILE 97 H ILE 97 3.291 12.164 12.164 725 HA ILE 97 HA ILE 97 4.266 14.615 14.615 726 HB ILE 97 HB ILE 97 2.957 12.120 12.120 727 1HG1 ILE 97 2HG1 ILE 97 1.628 13.545 13.545 728 2HG1 ILE 97 1HG1 ILE 97 0.925 13.518 13.518 729 1HG2 ILE 97 2HG2 ILE 97 4.204 13.152 13.152 730 2HG2 ILE 97 1HG2 ILE 97 3.431 14.694 14.694 731 3HG2 ILE 97 3HG2 ILE 97 2.471 13.327 13.327 732 1HD1 ILE 97 1HD1 ILE 97 2.695 15.799 15.799 733 2HD1 ILE 97 3HD1 ILE 97 0.980 15.889 15.889 734 3HD1 ILE 97 2HD1 ILE 97 1.955 15.812 15.812 735 H THR 98 H THR 98 5.570 11.391 11.391 736 HA THR 98 HA THR 98 7.454 11.697 11.697 737 HB THR 98 HB THR 98 7.823 10.085 10.085 738 HG1 THR 98 HG1 THR 98 6.007 9.711 9.711 739 1HG2 THR 98 1HG2 THR 98 9.974 10.375 10.375 740 2HG2 THR 98 3HG2 THR 98 9.138 9.585 9.585 741 3HG2 THR 98 2HG2 THR 98 9.374 8.735 8.735 742 H ARG 99 H ARG 99 7.822 12.252 12.252 743 HA ARG 99 HA ARG 99 10.395 13.587 13.587 744 1HB ARG 99 2HB ARG 99 10.066 14.161 14.161 745 2HB ARG 99 1HB ARG 99 10.004 12.449 12.449 746 1HG ARG 99 2HG ARG 99 7.450 12.679 12.679 747 2HG ARG 99 1HG ARG 99 7.630 14.284 14.284 748 1HD ARG 99 2HD ARG 99 8.599 11.647 11.647 749 2HD ARG 99 1HD ARG 99 7.142 12.552 12.552 750 HE ARG 99 HE ARG 99 9.749 13.952 13.952 751 1HH1 ARG 99 2HH1 ARG 99 6.990 12.475 12.475 752 2HH1 ARG 99 1HH1 ARG 99 7.269 13.164 13.164 753 1HH2 ARG 99 1HH2 ARG 99 10.128 14.918 14.918 754 2HH2 ARG 99 2HH2 ARG 99 9.095 14.593 14.593 755 H ASP 100 H ASP 100 7.144 14.910 14.910 756 HA ASP 100 HA ASP 100 7.712 17.596 17.596 757 1HB ASP 100 2HB ASP 100 5.321 16.463 16.463 758 2HB ASP 100 1HB ASP 100 5.461 18.054 18.054 759 H GLN 101 H GLN 101 6.988 15.771 15.771 760 HA GLN 101 HA GLN 101 7.492 18.002 18.002 761 1HB GLN 101 2HB GLN 101 7.047 15.010 15.010 762 2HB GLN 101 1HB GLN 101 7.263 16.054 16.054 763 1HG GLN 101 2HG GLN 101 5.097 16.421 16.421 764 2HG GLN 101 1HG GLN 101 4.835 15.869 15.869 765 1HE2 GLN 101 2HE2 GLN 101 6.183 19.382 19.382 766 2HE2 GLN 101 1HE2 GLN 101 7.047 17.916 17.916 767 H LYS 102 H LYS 102 9.306 15.224 15.224 768 HA LYS 102 HA LYS 102 11.513 15.539 15.539 769 1HB LYS 102 2HB LYS 102 11.413 13.649 13.649 770 2HB LYS 102 1HB LYS 102 11.675 14.854 14.854 771 1HG LYS 102 2HG LYS 102 13.866 15.448 15.448 772 2HG LYS 102 1HG LYS 102 13.651 14.291 14.291 773 1HD LYS 102 2HD LYS 102 14.920 12.968 12.968 774 2HD LYS 102 1HD LYS 102 13.344 12.595 12.595 775 1HE LYS 102 2HE LYS 102 14.934 13.233 13.233 776 2HE LYS 102 1HE LYS 102 13.562 14.329 14.329 777 1HZ LYS 102 1HZ LYS 102 15.563 15.275 15.275 778 2HZ LYS 102 3HZ LYS 102 16.281 14.978 14.978 779 3HZ LYS 102 2HZ LYS 102 14.932 16.020 16.020 780 H VAL 103 H VAL 103 10.495 17.278 17.278 781 HA VAL 103 HA VAL 103 12.925 18.980 18.980 782 HB VAL 103 HB VAL 103 10.455 18.850 18.850 783 1HG1 VAL 103 2HG1 VAL 103 13.106 20.294 20.294 784 2HG1 VAL 103 1HG1 VAL 103 11.796 20.148 20.148 785 3HG1 VAL 103 3HG1 VAL 103 11.563 21.070 21.070 786 1HG2 VAL 103 3HG2 VAL 103 11.858 16.784 16.784 787 2HG2 VAL 103 2HG2 VAL 103 11.953 17.647 17.647 788 3HG2 VAL 103 1HG2 VAL 103 13.276 17.753 17.753 789 H LEU 104 H LEU 104 9.571 19.156 19.156 790 HA LEU 104 HA LEU 104 9.608 22.045 22.045 791 1HB LEU 104 2HB LEU 104 7.629 19.943 19.943 792 2HB LEU 104 1HB LEU 104 7.402 21.631 21.631 793 HG LEU 104 HG LEU 104 7.796 20.701 20.701 794 1HD1 LEU 104 3HD1 LEU 104 5.780 19.511 19.511 795 2HD1 LEU 104 2HD1 LEU 104 5.137 21.056 21.056 796 3HD1 LEU 104 1HD1 LEU 104 5.310 20.708 20.708 797 1HD2 LEU 104 2HD2 LEU 104 6.480 23.165 23.165 798 2HD2 LEU 104 1HD2 LEU 104 8.059 23.141 23.141 799 3HD2 LEU 104 3HD2 LEU 104 6.625 22.843 22.843 800 H ASN 105 H ASN 105 10.102 19.407 19.407 801 HA ASN 105 HA ASN 105 10.844 21.741 21.741 802 1HB ASN 105 2HB ASN 105 8.469 20.544 20.544 803 2HB ASN 105 1HB ASN 105 9.429 19.524 19.524 804 1HD2 ASN 105 2HD2 ASN 105 8.260 22.792 22.792 805 2HD2 ASN 105 1HD2 ASN 105 7.426 21.879 21.879 806 HA PRO 106 HA PRO 106 14.629 19.597 19.597 807 1HB PRO 106 2HB PRO 106 15.234 21.065 21.065 808 2HB PRO 106 1HB PRO 106 15.514 21.661 21.661 809 1HG PRO 106 2HG PRO 106 13.004 22.085 22.085 810 2HG PRO 106 1HG PRO 106 13.991 23.338 23.338 811 1HD PRO 106 2HD PRO 106 11.864 22.591 22.591 812 2HD PRO 106 1HD PRO 106 13.338 22.555 22.555 813 H SER 107 H SER 107 11.846 19.608 19.608 814 HA SER 107 HA SER 107 12.610 17.589 17.589 815 1HB SER 107 2HB SER 107 10.182 18.295 18.295 816 2HB SER 107 1HB SER 107 11.412 19.577 19.577 817 HG SER 107 HG SER 107 10.459 20.554 20.554 818 H ALA 108 H ALA 108 10.292 18.463 18.463 819 HA ALA 108 HA ALA 108 8.710 16.213 16.213 820 1HB ALA 108 2HB ALA 108 9.873 17.845 17.845 821 2HB ALA 108 1HB ALA 108 8.607 16.657 16.657 822 3HB ALA 108 3HB ALA 108 8.306 18.107 18.107 823 H VAL 109 H VAL 109 11.953 16.888 16.888 824 HA VAL 109 HA VAL 109 12.514 14.774 14.774 825 HB VAL 109 HB VAL 109 14.885 14.808 14.808 826 1HG1 VAL 109 2HG1 VAL 109 13.669 17.587 17.587 827 2HG1 VAL 109 1HG1 VAL 109 15.381 17.213 17.213 828 3HG1 VAL 109 3HG1 VAL 109 14.294 16.548 16.548 829 1HG2 VAL 109 3HG2 VAL 109 13.630 16.635 16.635 830 2HG2 VAL 109 2HG2 VAL 109 14.366 15.087 15.087 831 3HG2 VAL 109 1HG2 VAL 109 15.356 16.422 16.422 832 H SER 110 H SER 110 12.373 14.752 14.752 833 HA SER 110 HA SER 110 13.049 11.950 11.950 834 1HB SER 110 2HB SER 110 11.460 13.795 13.795 835 2HB SER 110 1HB SER 110 12.488 12.427 12.427 836 HG SER 110 HG SER 110 14.244 13.640 13.640 837 H LEU 111 H LEU 111 10.090 13.791 13.791 838 HA LEU 111 HA LEU 111 8.137 11.783 11.783 839 1HB LEU 111 2HB LEU 111 7.099 13.785 13.785 840 2HB LEU 111 1HB LEU 111 8.262 14.403 14.403 841 HG LEU 111 HG LEU 111 5.795 12.840 12.840 842 1HD1 LEU 111 1HD1 LEU 111 6.738 15.695 15.695 843 2HD1 LEU 111 3HD1 LEU 111 5.253 15.017 15.017 844 3HD1 LEU 111 2HD1 LEU 111 5.462 15.168 15.168 845 1HD2 LEU 111 3HD2 LEU 111 7.826 13.685 13.685 846 2HD2 LEU 111 2HD2 LEU 111 7.130 12.086 12.086 847 3HD2 LEU 111 1HD2 LEU 111 6.144 13.338 13.338 848 H HIS 112 H HIS 112 9.693 12.613 12.613 849 HA HIS 112 HA HIS 112 8.260 10.587 10.587 850 1HB HIS 112 2HB HIS 112 9.483 11.391 11.391 851 2HB HIS 112 1HB HIS 112 9.671 12.714 12.714 852 HD1 HIS 112 HD1 HIS 112 11.783 9.538 9.538 853 HD2 HIS 112 HD2 HIS 112 11.941 13.585 13.585 854 HE1 HIS 112 HE1 HIS 112 14.195 10.119 10.119 855 H SER 113 H SER 113 11.406 10.594 10.594 856 HA SER 113 HA SER 113 12.461 8.139 8.139 857 1HB SER 113 2HB SER 113 13.440 9.690 9.690 858 2HB SER 113 1HB SER 113 12.237 9.068 9.068 859 HG SER 113 HG SER 113 13.419 7.028 7.028 860 H LYS 114 H LYS 114 9.998 8.766 8.766 861 HA LYS 114 HA LYS 114 9.282 6.093 6.093 862 1HB LYS 114 2HB LYS 114 8.294 8.667 8.667 863 2HB LYS 114 1HB LYS 114 6.964 8.005 8.005 864 1HG LYS 114 2HG LYS 114 6.436 7.264 7.264 865 2HG LYS 114 1HG LYS 114 7.181 5.864 5.864 866 1HD LYS 114 2HD LYS 114 8.284 6.037 6.037 867 2HD LYS 114 1HD LYS 114 9.429 6.726 6.726 868 1HE LYS 114 2HE LYS 114 8.286 9.059 9.059 869 2HE LYS 114 1HE LYS 114 7.573 8.191 8.191 870 1HZ LYS 114 2HZ LYS 114 10.287 7.574 7.574 871 2HZ LYS 114 1HZ LYS 114 10.174 9.258 9.258 872 3HZ LYS 114 3HZ LYS 114 9.454 8.487 8.487 873 H LEU 115 H LEU 115 7.595 8.276 8.276 874 HA LEU 115 HA LEU 115 5.827 6.574 6.574 875 1HB LEU 115 2HB LEU 115 7.437 8.653 8.653 876 2HB LEU 115 1HB LEU 115 5.908 7.975 7.975 877 HG LEU 115 HG LEU 115 6.435 9.811 9.811 878 1HD1 LEU 115 2HD1 LEU 115 4.624 10.099 10.099 879 2HD1 LEU 115 1HD1 LEU 115 4.765 11.273 11.273 880 3HD1 LEU 115 3HD1 LEU 115 6.135 10.941 10.941 881 1HD2 LEU 115 2HD2 LEU 115 3.833 8.357 8.357 882 2HD2 LEU 115 1HD2 LEU 115 4.861 8.144 8.144 883 3HD2 LEU 115 3HD2 LEU 115 4.039 9.678 9.678 884 H ASN 116 H ASN 116 9.192 7.016 7.016 885 HA ASN 116 HA ASN 116 9.423 5.437 5.437 886 1HB ASN 116 2HB ASN 116 11.372 5.388 5.388 887 2HB ASN 116 1HB ASN 116 11.694 4.643 4.643 888 1HD2 ASN 116 2HD2 ASN 116 12.800 7.576 7.576 889 2HD2 ASN 116 1HD2 ASN 116 12.592 5.888 5.888 890 H ALA 117 H ALA 117 9.726 4.411 4.411 891 HA ALA 117 HA ALA 117 9.844 1.654 1.654 892 1HB ALA 117 2HB ALA 117 10.173 2.355 2.355 893 2HB ALA 117 1HB ALA 117 8.459 2.766 2.766 894 3HB ALA 117 3HB ALA 117 8.955 1.102 1.102 895 H THR 118 H THR 118 6.959 3.371 3.371 896 HA THR 118 HA THR 118 5.062 1.360 1.360 897 HB THR 118 HB THR 118 3.390 3.382 3.382 898 HG1 THR 118 HG1 THR 118 5.611 4.521 4.521 899 1HG2 THR 118 2HG2 THR 118 5.149 3.459 3.459 900 2HG2 THR 118 1HG2 THR 118 3.538 4.124 4.124 901 3HG2 THR 118 3HG2 THR 118 3.766 2.381 2.381 902 H ILE 119 H ILE 119 6.464 3.383 3.383 903 HA ILE 119 HA ILE 119 4.579 2.719 2.719 904 HB ILE 119 HB ILE 119 7.378 3.941 3.941 905 1HG1 ILE 119 2HG1 ILE 119 4.683 5.267 5.267 906 2HG1 ILE 119 1HG1 ILE 119 5.354 5.200 5.200 907 1HG2 ILE 119 3HG2 ILE 119 5.303 3.745 3.745 908 2HG2 ILE 119 2HG2 ILE 119 6.812 4.636 4.636 909 3HG2 ILE 119 1HG2 ILE 119 6.835 2.892 2.892 910 1HD1 ILE 119 3HD1 ILE 119 6.711 6.467 6.467 911 2HD1 ILE 119 2HD1 ILE 119 5.937 7.325 7.325 912 3HD1 ILE 119 1HD1 ILE 119 7.396 6.418 6.418 913 H ASP 120 H ASP 120 7.975 1.676 1.676 914 HA ASP 120 HA ASP 120 7.688 -0.302 -0.302 915 1HB ASP 120 2HB ASP 120 9.842 0.361 0.361 916 2HB ASP 120 1HB ASP 120 9.959 -1.158 -1.158 917 H VAL 121 H VAL 121 7.432 -0.494 -0.494 918 HA VAL 121 HA VAL 121 7.263 -3.356 -3.356 919 HB VAL 121 HB VAL 121 6.179 -2.928 -2.928 920 1HG1 VAL 121 1HG1 VAL 121 8.330 -0.883 -0.883 921 2HG1 VAL 121 3HG1 VAL 121 7.759 -1.451 -1.451 922 3HG1 VAL 121 2HG1 VAL 121 8.555 -2.549 -2.549 923 1HG2 VAL 121 1HG2 VAL 121 5.759 -0.180 -0.180 924 2HG2 VAL 121 3HG2 VAL 121 4.508 -1.325 -1.325 925 3HG2 VAL 121 2HG2 VAL 121 5.520 -0.652 -0.652 926 H MET 122 H MET 122 5.027 -0.728 -0.728 927 HA MET 122 HA MET 122 2.742 -2.507 -2.507 928 1HB MET 122 2HB MET 122 3.288 0.386 0.386 929 2HB MET 122 1HB MET 122 1.964 -0.393 -0.393 930 1HG MET 122 2HG MET 122 1.120 -1.181 -1.181 931 2HG MET 122 1HG MET 122 2.429 -0.276 -0.276 932 1HE MET 122 3HE MET 122 2.283 1.657 1.657 933 2HE MET 122 2HE MET 122 0.979 2.819 2.819 934 3HE MET 122 1HE MET 122 0.716 1.230 1.230 935 H ARG 123 H ARG 123 5.058 -0.996 -0.996 936 HA ARG 123 HA ARG 123 3.895 -1.977 -1.977 937 1HB ARG 123 2HB ARG 123 5.890 -0.292 -0.292 938 2HB ARG 123 1HB ARG 123 6.896 -1.711 -1.711 939 1HG ARG 123 2HG ARG 123 6.394 -2.583 -2.583 940 2HG ARG 123 1HG ARG 123 5.215 -1.325 -1.325 941 1HD ARG 123 2HD ARG 123 7.373 -0.750 -0.750 942 2HD ARG 123 1HD ARG 123 6.958 0.409 0.409 943 HE ARG 123 HE ARG 123 8.686 -0.373 -0.373 944 1HH1 ARG 123 2HH1 ARG 123 8.469 -2.271 -2.271 945 2HH1 ARG 123 1HH1 ARG 123 10.051 -2.914 -2.914 946 1HH2 ARG 123 1HH2 ARG 123 10.614 -1.185 -1.185 947 2HH2 ARG 123 2HH2 ARG 123 11.303 -2.345 -2.345 948 H GLY 124 H GLY 124 6.022 -3.390 -3.390 949 1HA GLY 124 2HA GLY 124 6.445 -5.899 -5.899 950 2HA GLY 124 1HA GLY 124 6.657 -5.625 -5.625 951 H LEU 125 H LEU 125 4.261 -4.791 -4.791 952 HA LEU 125 HA LEU 125 2.641 -7.068 -7.068 953 1HB LEU 125 2HB LEU 125 2.542 -4.525 -4.525 954 2HB LEU 125 1HB LEU 125 1.289 -4.363 -4.363 955 HG LEU 125 HG LEU 125 0.237 -6.494 -6.494 956 1HD1 LEU 125 2HD1 LEU 125 2.189 -5.548 -5.548 957 2HD1 LEU 125 1HD1 LEU 125 0.895 -6.707 -6.707 958 3HD1 LEU 125 3HD1 LEU 125 2.239 -7.107 -7.107 959 1HD2 LEU 125 2HD2 LEU 125 -0.693 -4.188 -4.188 960 2HD2 LEU 125 1HD2 LEU 125 -0.867 -5.096 -5.096 961 3HD2 LEU 125 3HD2 LEU 125 0.384 -3.871 -3.871 962 H LEU 126 H LEU 126 1.973 -4.487 -4.487 963 HA LEU 126 HA LEU 126 -0.108 -5.780 -5.780 964 1HB LEU 126 2HB LEU 126 1.992 -3.785 -3.785 965 2HB LEU 126 1HB LEU 126 0.990 -4.542 -4.542 966 HG LEU 126 HG LEU 126 -1.009 -4.021 -4.021 967 1HD1 LEU 126 3HD1 LEU 126 1.016 -1.981 -1.981 968 2HD1 LEU 126 2HD1 LEU 126 -0.706 -2.045 -2.045 969 3HD1 LEU 126 1HD1 LEU 126 0.334 -3.262 -3.262 970 1HD2 LEU 126 1HD2 LEU 126 -0.644 -2.736 -2.736 971 2HD2 LEU 126 3HD2 LEU 126 -1.482 -2.017 -2.017 972 3HD2 LEU 126 2HD2 LEU 126 0.177 -1.546 -1.546 973 H SER 127 H SER 127 3.325 -5.950 -5.950 974 HA SER 127 HA SER 127 3.138 -7.857 -7.857 975 1HB SER 127 2HB SER 127 5.325 -7.763 -7.763 976 2HB SER 127 1HB SER 127 5.490 -8.450 -8.450 977 HG SER 127 HG SER 127 5.275 -5.749 -5.749 978 H ASN 128 H ASN 128 3.294 -8.360 -8.360 979 HA ASN 128 HA ASN 128 3.168 -11.200 -11.200 980 1HB ASN 128 2HB ASN 128 2.335 -9.187 -9.187 981 2HB ASN 128 1HB ASN 128 2.452 -10.900 -10.900 982 1HD2 ASN 128 2HD2 ASN 128 5.741 -8.811 -8.811 983 2HD2 ASN 128 1HD2 ASN 128 4.210 -8.100 -8.100 984 H VAL 129 H VAL 129 0.762 -8.715 -8.715 985 HA VAL 129 HA VAL 129 -1.448 -10.500 -10.500 986 HB VAL 129 HB VAL 129 -1.199 -7.656 -7.656 987 1HG1 VAL 129 1HG1 VAL 129 -3.741 -9.344 -9.344 988 2HG1 VAL 129 3HG1 VAL 129 -3.814 -7.624 -7.624 989 3HG1 VAL 129 2HG1 VAL 129 -2.969 -8.461 -8.461 990 1HG2 VAL 129 1HG2 VAL 129 -2.980 -9.143 -9.143 991 2HG2 VAL 129 3HG2 VAL 129 -1.499 -8.293 -8.293 992 3HG2 VAL 129 2HG2 VAL 129 -2.900 -7.398 -7.398 993 H LEU 130 H LEU 130 -0.675 -8.898 -8.898 994 HA LEU 130 HA LEU 130 -2.541 -10.403 -10.403 995 1HB LEU 130 2HB LEU 130 -0.098 -8.891 -8.891 996 2HB LEU 130 1HB LEU 130 -0.100 -10.375 -10.375 997 HG LEU 130 HG LEU 130 -1.193 -8.420 -8.420 998 1HD1 LEU 130 2HD1 LEU 130 -1.868 -10.748 -10.748 999 2HD1 LEU 130 1HD1 LEU 130 -3.118 -10.727 -10.727 1000 3HD1 LEU 130 3HD1 LEU 130 -3.219 -9.655 -9.655 1001 1HD2 LEU 130 2HD2 LEU 130 -2.331 -7.310 -7.310 1002 2HD2 LEU 130 1HD2 LEU 130 -3.450 -7.666 -7.666 1003 3HD2 LEU 130 3HD2 LEU 130 -3.427 -8.671 -8.671 1004 H CYS 131 H CYS 131 0.710 -11.275 -11.275 1005 HA CYS 131 HA CYS 131 0.809 -13.902 -13.902 1006 1HB CYS 131 2HB CYS 131 2.719 -12.811 -12.811 1007 2HB CYS 131 1HB CYS 131 1.907 -12.589 -12.589 1008 H ARG 132 H ARG 132 0.022 -13.064 -13.064 1009 HA ARG 132 HA ARG 132 -1.064 -15.482 -15.482 1010 1HB ARG 132 2HB ARG 132 -0.448 -13.712 -13.712 1011 2HB ARG 132 1HB ARG 132 -1.490 -12.572 -12.572 1012 1HG ARG 132 2HG ARG 132 -2.390 -13.145 -13.145 1013 2HG ARG 132 1HG ARG 132 -3.483 -13.637 -13.637 1014 1HD ARG 132 2HD ARG 132 -1.734 -15.829 -15.829 1015 2HD ARG 132 1HD ARG 132 -2.461 -15.290 -15.290 1016 HE ARG 132 HE ARG 132 -3.833 -16.069 -16.069 1017 1HH1 ARG 132 2HH1 ARG 132 -4.059 -15.627 -15.627 1018 2HH1 ARG 132 1HH1 ARG 132 -5.566 -16.418 -16.418 1019 1HH2 ARG 132 1HH2 ARG 132 -5.759 -16.991 -16.991 1020 2HH2 ARG 132 2HH2 ARG 132 -6.609 -17.203 -17.203 1021 H LEU 133 H LEU 133 -2.530 -13.099 -13.099 1022 HA LEU 133 HA LEU 133 -5.255 -14.066 -14.066 1023 1HB LEU 133 2HB LEU 133 -3.986 -12.209 -12.209 1024 2HB LEU 133 1HB LEU 133 -5.652 -12.695 -12.695 1025 HG LEU 133 HG LEU 133 -4.569 -11.351 -11.351 1026 1HD1 LEU 133 1HD1 LEU 133 -6.025 -10.085 -10.085 1027 2HD1 LEU 133 3HD1 LEU 133 -5.650 -9.259 -9.259 1028 3HD1 LEU 133 2HD1 LEU 133 -4.360 -9.801 -9.801 1029 1HD2 LEU 133 1HD2 LEU 133 -7.400 -11.730 -11.730 1030 2HD2 LEU 133 3HD2 LEU 133 -6.708 -12.553 -12.553 1031 3HD2 LEU 133 2HD2 LEU 133 -6.997 -10.829 -10.829 1032 H CYS 134 H CYS 134 -2.754 -14.455 -14.455 1033 HA CYS 134 HA CYS 134 -3.866 -15.838 -15.838 1034 1HB CYS 134 2HB CYS 134 -1.441 -16.789 -16.789 1035 2HB CYS 134 1HB CYS 134 -1.761 -17.139 -17.139 1036 H ASN 135 H ASN 135 -3.039 -17.298 -17.298 1037 HA ASN 135 HA ASN 135 -3.523 -19.890 -19.890 1038 1HB ASN 135 2HB ASN 135 -5.010 -17.873 -17.873 1039 2HB ASN 135 1HB ASN 135 -4.872 -19.577 -19.577 1040 1HD2 ASN 135 2HD2 ASN 135 -1.799 -18.752 -18.752 1041 2HD2 ASN 135 1HD2 ASN 135 -3.286 -19.562 -19.562 1042 H LYS 136 H LYS 136 -6.444 -17.911 -17.911 1043 HA LYS 136 HA LYS 136 -7.790 -20.065 -20.065 1044 1HB LYS 136 2HB LYS 136 -8.667 -18.829 -18.829 1045 2HB LYS 136 1HB LYS 136 -9.826 -19.624 -19.624 1046 1HG LYS 136 2HG LYS 136 -7.408 -21.288 -21.288 1047 2HG LYS 136 1HG LYS 136 -8.069 -20.898 -20.898 1048 1HD LYS 136 2HD LYS 136 -10.342 -21.781 -21.781 1049 2HD LYS 136 1HD LYS 136 -9.570 -22.057 -22.057 1050 1HE LYS 136 2HE LYS 136 -9.702 -24.185 -24.185 1051 2HE LYS 136 1HE LYS 136 -8.012 -23.727 -23.727 1052 1HZ LYS 136 1HZ LYS 136 -9.209 -22.667 -22.667 1053 2HZ LYS 136 3HZ LYS 136 -9.505 -24.329 -24.329 1054 3HZ LYS 136 2HZ LYS 136 -7.911 -23.745 -23.745 1055 H TYR 137 H TYR 137 -6.790 -17.207 -17.207 1056 HA TYR 137 HA TYR 137 -9.151 -16.099 -16.099 1057 1HB TYR 137 2HB TYR 137 -7.009 -14.456 -14.456 1058 2HB TYR 137 1HB TYR 137 -8.556 -13.873 -13.873 1059 HD1 TYR 137 HD2 TYR 137 -10.350 -16.094 -16.094 1060 HD2 TYR 137 HD1 TYR 137 -7.159 -13.987 -13.987 1061 HE1 TYR 137 HE2 TYR 137 -11.317 -16.536 -16.536 1062 HE2 TYR 137 HE1 TYR 137 -8.114 -14.413 -14.413 1063 HH TYR 137 HH TYR 137 -10.959 -16.450 -16.450 1064 H ARG 138 H ARG 138 -7.419 -17.767 -17.767 1065 HA ARG 138 HA ARG 138 -5.439 -16.035 -16.035 1066 1HB ARG 138 2HB ARG 138 -4.530 -18.144 -18.144 1067 2HB ARG 138 1HB ARG 138 -4.662 -18.224 -18.224 1068 1HG ARG 138 2HG ARG 138 -6.012 -20.043 -20.043 1069 2HG ARG 138 1HG ARG 138 -7.168 -19.204 -19.204 1070 1HD ARG 138 2HD ARG 138 -5.398 -19.689 -19.689 1071 2HD ARG 138 1HD ARG 138 -4.752 -20.836 -20.836 1072 HE ARG 138 HE ARG 138 -6.718 -22.134 -22.134 1073 1HH1 ARG 138 2HH1 ARG 138 -6.946 -19.205 -19.205 1074 2HH1 ARG 138 1HH1 ARG 138 -8.208 -19.745 -19.745 1075 1HH2 ARG 138 1HH2 ARG 138 -8.478 -22.846 -22.846 1076 2HH2 ARG 138 2HH2 ARG 138 -9.149 -21.832 -21.832 1077 H VAL 139 H VAL 139 -7.697 -15.192 -15.192 1078 HA VAL 139 HA VAL 139 -8.973 -16.402 -16.402 1079 HB VAL 139 HB VAL 139 -10.532 -15.870 -15.870 1080 1HG1 VAL 139 2HG1 VAL 139 -9.274 -14.043 -14.043 1081 2HG1 VAL 139 1HG1 VAL 139 -9.688 -12.917 -12.917 1082 3HG1 VAL 139 3HG1 VAL 139 -10.943 -13.632 -13.632 1083 1HG2 VAL 139 2HG2 VAL 139 -11.373 -15.462 -15.462 1084 2HG2 VAL 139 1HG2 VAL 139 -12.108 -14.328 -14.328 1085 3HG2 VAL 139 3HG2 VAL 139 -10.825 -13.798 -13.798 1086 H GLY 140 H GLY 140 -8.095 -13.132 -13.132 1087 1HA GLY 140 2HA GLY 140 -6.453 -11.845 -11.845 1088 2HA GLY 140 1HA GLY 140 -7.237 -12.530 -12.530 1089 H HIS 141 H HIS 141 -8.413 -10.838 -10.838 1090 HA HIS 141 HA HIS 141 -9.218 -8.514 -8.514 1091 1HB HIS 141 2HB HIS 141 -10.976 -10.321 -10.321 1092 2HB HIS 141 1HB HIS 141 -11.459 -10.260 -10.260 1093 HD1 HIS 141 HD1 HIS 141 -13.650 -9.494 -9.494 1094 HD2 HIS 141 HD2 HIS 141 -10.834 -6.634 -6.634 1095 HE1 HIS 141 HE1 HIS 141 -14.737 -7.306 -7.306 1096 H VAL 142 H VAL 142 -7.619 -8.220 -8.220 1097 HA VAL 142 HA VAL 142 -9.185 -7.863 -7.863 1098 HB VAL 142 HB VAL 142 -7.000 -8.900 -8.900 1099 1HG1 VAL 142 1HG1 VAL 142 -5.804 -8.080 -8.080 1100 2HG1 VAL 142 3HG1 VAL 142 -5.585 -6.505 -6.505 1101 3HG1 VAL 142 2HG1 VAL 142 -4.871 -7.928 -7.928 1102 1HG2 VAL 142 2HG2 VAL 142 -7.663 -7.222 -7.222 1103 2HG2 VAL 142 1HG2 VAL 142 -5.910 -7.267 -7.267 1104 3HG2 VAL 142 3HG2 VAL 142 -6.823 -5.960 -5.960 1105 H ASP 143 H ASP 143 -6.969 -6.015 -6.015 1106 HA ASP 143 HA ASP 143 -6.795 -3.923 -3.923 1107 1HB ASP 143 2HB ASP 143 -9.723 -3.650 -3.650 1108 2HB ASP 143 1HB ASP 143 -8.863 -2.569 -2.569 1109 H VAL 144 H VAL 144 -6.376 -1.951 -1.951 1110 HA VAL 144 HA VAL 144 -6.540 -1.359 -1.359 1111 HB VAL 144 HB VAL 144 -4.145 -0.572 -0.572 1112 1HG1 VAL 144 3HG1 VAL 144 -4.743 -3.455 -3.455 1113 2HG1 VAL 144 2HG1 VAL 144 -3.231 -2.921 -2.921 1114 3HG1 VAL 144 1HG1 VAL 144 -4.707 -2.859 -2.859 1115 1HG2 VAL 144 3HG2 VAL 144 -4.048 -0.226 -0.226 1116 2HG2 VAL 144 2HG2 VAL 144 -2.794 -1.315 -1.315 1117 3HG2 VAL 144 1HG2 VAL 144 -4.225 -1.955 -1.955 1118 HA PRO 145 HA PRO 145 -7.644 2.569 2.569 1119 1HB PRO 145 2HB PRO 145 -10.173 2.824 2.824 1120 2HB PRO 145 1HB PRO 145 -9.834 2.094 2.094 1121 1HG PRO 145 2HG PRO 145 -10.131 0.674 0.674 1122 2HG PRO 145 1HG PRO 145 -10.912 0.272 0.272 1123 1HD PRO 145 2HD PRO 145 -8.711 -1.091 -1.091 1124 2HD PRO 145 1HD PRO 145 -8.833 -0.526 -0.526 1125 HA PRO 146 HA PRO 146 -6.498 4.134 4.134 1126 1HB PRO 146 2HB PRO 146 -4.259 5.426 5.426 1127 2HB PRO 146 1HB PRO 146 -4.363 3.668 3.668 1128 1HG PRO 146 2HG PRO 146 -4.494 5.802 5.802 1129 2HG PRO 146 1HG PRO 146 -3.791 4.186 4.186 1130 1HD PRO 146 2HD PRO 146 -6.477 4.873 4.873 1131 2HD PRO 146 1HD PRO 146 -5.740 3.263 3.263 1132 H VAL 147 H VAL 147 -6.925 6.352 6.352 1133 HA VAL 147 HA VAL 147 -6.934 8.828 8.828 1134 HB VAL 147 HB VAL 147 -9.736 7.798 7.798 1135 1HG1 VAL 147 1HG1 VAL 147 -8.662 10.123 10.123 1136 2HG1 VAL 147 3HG1 VAL 147 -10.346 9.643 9.643 1137 3HG1 VAL 147 2HG1 VAL 147 -9.529 10.262 10.262 1138 1HG2 VAL 147 3HG2 VAL 147 -8.135 7.712 7.712 1139 2HG2 VAL 147 2HG2 VAL 147 -8.702 6.316 6.316 1140 3HG2 VAL 147 1HG2 VAL 147 -9.851 7.382 7.382 1141 HA PRO 148 HA PRO 148 -7.548 9.816 9.816 1142 1HB PRO 148 2HB PRO 148 -5.216 10.958 10.958 1143 2HB PRO 148 1HB PRO 148 -5.278 9.209 9.209 1144 1HG PRO 148 2HG PRO 148 -4.518 11.423 11.423 1145 2HG PRO 148 1HG PRO 148 -3.620 9.946 9.946 1146 1HD PRO 148 2HD PRO 148 -5.419 10.157 10.157 1147 2HD PRO 148 1HD PRO 148 -5.049 8.607 8.607 1148 H ASP 149 H ASP 149 -9.152 11.428 11.428 1149 HA ASP 149 HA ASP 149 -8.307 14.138 14.138 1150 1HB ASP 149 2HB ASP 149 -10.920 12.611 12.611 1151 2HB ASP 149 1HB ASP 149 -10.942 14.365 14.365 1152 H HIS 150 H HIS 150 -7.416 14.287 14.287 1153 HA HIS 150 HA HIS 150 -9.315 14.615 14.615 1154 1HB HIS 150 2HB HIS 150 -6.293 15.036 15.036 1155 2HB HIS 150 1HB HIS 150 -7.375 14.475 14.475 1156 HD1 HIS 150 HD1 HIS 150 -8.569 12.206 12.206 1157 HD2 HIS 150 HD2 HIS 150 -4.642 12.791 12.791 1158 HE1 HIS 150 HE1 HIS 150 -7.401 10.082 10.082 1159 H SER 151 H SER 151 -9.383 16.557 16.557 1160 HA SER 151 HA SER 151 -7.997 18.940 18.940 1161 1HB SER 151 2HB SER 151 -8.817 20.075 20.075 1162 2HB SER 151 1HB SER 151 -8.119 18.518 18.518 1163 HG SER 151 HG SER 151 -10.834 19.027 19.027 1164 H ASP 152 H ASP 152 -9.754 17.739 17.739 1165 HA ASP 152 HA ASP 152 -12.408 18.920 18.920 1166 1HB ASP 152 2HB ASP 152 -11.114 17.999 17.999 1167 2HB ASP 152 1HB ASP 152 -12.828 18.072 18.072 1168 H LYS 153 H LYS 153 -9.359 19.651 19.651 1169 HA LYS 153 HA LYS 153 -10.290 22.387 22.387 1170 1HB LYS 153 2HB LYS 153 -8.349 20.647 20.647 1171 2HB LYS 153 1HB LYS 153 -8.987 22.218 22.218 1172 1HG LYS 153 2HG LYS 153 -11.328 21.085 21.085 1173 2HG LYS 153 1HG LYS 153 -10.443 19.580 19.580 1174 1HD LYS 153 2HD LYS 153 -9.388 20.115 20.115 1175 2HD LYS 153 1HD LYS 153 -10.514 21.450 21.450 1176 1HE LYS 153 2HE LYS 153 -11.598 19.540 19.540 1177 2HE LYS 153 1HE LYS 153 -12.420 19.760 19.760 1178 1HZ LYS 153 2HZ LYS 153 -10.180 18.121 18.121 1179 2HZ LYS 153 1HZ LYS 153 -10.995 17.531 17.531 1180 3HZ LYS 153 3HZ LYS 153 -11.792 17.667 17.667 1181 H GLU 154 H GLU 154 -8.775 23.999 23.999 1182 HA GLU 154 HA GLU 154 -7.069 23.717 23.717 1183 1HB GLU 154 2HB GLU 154 -7.165 25.873 25.873 1184 2HB GLU 154 1HB GLU 154 -6.495 26.072 26.072 1185 1HG GLU 154 2HG GLU 154 -9.417 25.269 25.269 1186 2HG GLU 154 1HG GLU 154 -8.910 26.937 26.937 1187 H VAL 155 H VAL 155 -5.245 25.496 25.496 1188 HA VAL 155 HA VAL 155 -2.745 24.449 24.449 1189 HB VAL 155 HB VAL 155 -3.950 25.783 25.783 1190 1HG1 VAL 155 2HG1 VAL 155 -1.012 25.595 25.595 1191 2HG1 VAL 155 1HG1 VAL 155 -1.648 26.494 26.494 1192 3HG1 VAL 155 3HG1 VAL 155 -1.775 24.742 24.742 1193 1HG2 VAL 155 2HG2 VAL 155 -2.461 27.018 27.018 1194 2HG2 VAL 155 1HG2 VAL 155 -4.177 27.178 27.178 1195 3HG2 VAL 155 3HG2 VAL 155 -3.025 27.884 27.884 1196 H PHE 156 H PHE 156 -5.141 23.779 23.779 1197 HA PHE 156 HA PHE 156 -4.074 22.073 22.073 1198 1HB PHE 156 2HB PHE 156 -6.716 21.721 21.721 1199 2HB PHE 156 1HB PHE 156 -6.406 21.019 21.019 1200 HD1 PHE 156 HD1 PHE 156 -7.244 24.020 24.020 1201 HD2 PHE 156 HD2 PHE 156 -6.301 22.559 22.559 1202 HE1 PHE 156 HE1 PHE 156 -8.099 26.081 26.081 1203 HE2 PHE 156 HE2 PHE 156 -7.175 24.625 24.625 1204 HZ PHE 156 HZ PHE 156 -8.072 26.391 26.391 1205 H GLN 157 H GLN 157 -5.511 21.032 21.032 1206 HA GLN 157 HA GLN 157 -4.604 18.296 18.296 1207 1HB GLN 157 2HB GLN 157 -6.416 18.323 18.323 1208 2HB GLN 157 1HB GLN 157 -6.036 19.810 19.810 1209 1HG GLN 157 2HG GLN 157 -4.409 17.330 17.330 1210 2HG GLN 157 1HG GLN 157 -5.879 17.656 17.656 1211 1HE2 GLN 157 2HE2 GLN 157 -3.930 20.904 20.904 1212 2HE2 GLN 157 1HE2 GLN 157 -4.965 20.760 20.760 1213 H LYS 158 H LYS 158 -3.403 20.980 20.980 1214 HA LYS 158 HA LYS 158 -1.382 19.550 19.550 1215 1HB LYS 158 2HB LYS 158 -2.158 22.228 22.228 1216 2HB LYS 158 1HB LYS 158 -0.733 22.353 22.353 1217 1HG LYS 158 2HG LYS 158 -0.170 22.829 22.829 1218 2HG LYS 158 1HG LYS 158 0.673 21.402 21.402 1219 1HD LYS 158 2HD LYS 158 -0.569 19.919 19.919 1220 2HD LYS 158 1HD LYS 158 -2.010 20.886 20.886 1221 1HE LYS 158 2HE LYS 158 -1.078 20.849 20.849 1222 2HE LYS 158 1HE LYS 158 -1.110 22.476 22.476 1223 1HZ LYS 158 1HZ LYS 158 1.374 21.298 21.298 1224 2HZ LYS 158 3HZ LYS 158 1.096 21.080 21.080 1225 3HZ LYS 158 2HZ LYS 158 1.073 22.634 22.634 1226 H LYS 159 H LYS 159 -1.401 20.864 20.864 1227 HA LYS 159 HA LYS 159 1.372 19.912 19.912 1228 1HB LYS 159 2HB LYS 159 -0.728 21.072 21.072 1229 2HB LYS 159 1HB LYS 159 0.937 20.719 20.719 1230 1HG LYS 159 2HG LYS 159 1.746 22.494 22.494 1231 2HG LYS 159 1HG LYS 159 0.146 22.724 22.724 1232 1HD LYS 159 2HD LYS 159 0.567 24.515 24.515 1233 2HD LYS 159 1HD LYS 159 -0.708 23.471 23.471 1234 1HE LYS 159 2HE LYS 159 0.959 22.313 22.313 1235 2HE LYS 159 1HE LYS 159 2.222 23.387 23.387 1236 1HZ LYS 159 3HZ LYS 159 0.025 24.942 24.942 1237 2HZ LYS 159 2HZ LYS 159 0.465 23.832 23.832 1238 3HZ LYS 159 1HZ LYS 159 1.618 24.856 24.856 1239 H LYS 160 H LYS 160 -1.884 19.272 19.272 1240 HA LYS 160 HA LYS 160 -0.972 16.732 16.732 1241 1HB LYS 160 2HB LYS 160 -3.399 18.431 18.431 1242 2HB LYS 160 1HB LYS 160 -3.374 16.801 16.801 1243 1HG LYS 160 2HG LYS 160 -2.458 18.116 18.116 1244 2HG LYS 160 1HG LYS 160 -1.130 17.294 17.294 1245 1HD LYS 160 2HD LYS 160 -0.217 19.188 19.188 1246 2HD LYS 160 1HD LYS 160 -1.742 20.072 20.072 1247 1HE LYS 160 2HE LYS 160 0.013 20.845 20.845 1248 2HE LYS 160 1HE LYS 160 -1.493 20.399 20.399 1249 1HZ LYS 160 2HZ LYS 160 0.140 18.112 18.112 1250 2HZ LYS 160 1HZ LYS 160 0.941 19.252 19.252 1251 3HZ LYS 160 3HZ LYS 160 -0.572 18.802 18.802 1252 H LEU 161 H LEU 161 -1.569 16.875 16.875 1253 HA LEU 161 HA LEU 161 -3.647 15.365 15.365 1254 1HB LEU 161 2HB LEU 161 -1.491 16.307 16.307 1255 2HB LEU 161 1HB LEU 161 -0.693 14.880 14.880 1256 HG LEU 161 HG LEU 161 -1.244 14.800 14.800 1257 1HD1 LEU 161 3HD1 LEU 161 -0.884 12.692 12.692 1258 2HD1 LEU 161 2HD1 LEU 161 -2.578 12.627 12.627 1259 3HD1 LEU 161 1HD1 LEU 161 -2.105 12.486 12.486 1260 1HD2 LEU 161 2HD2 LEU 161 -4.123 14.782 14.782 1261 2HD2 LEU 161 1HD2 LEU 161 -3.307 16.015 16.015 1262 3HD2 LEU 161 3HD2 LEU 161 -3.587 14.427 14.427 1263 H GLY 162 H GLY 162 -0.859 14.416 14.416 1264 1HA GLY 162 2HA GLY 162 -1.621 11.609 11.609 1265 2HA GLY 162 1HA GLY 162 -0.235 12.345 12.345 1266 H CYS 163 H CYS 163 -1.983 14.461 14.461 1267 HA CYS 163 HA CYS 163 -2.574 12.812 12.812 1268 1HB CYS 163 2HB CYS 163 -2.524 14.842 14.842 1269 2HB CYS 163 1HB CYS 163 -2.139 15.503 15.503 1270 H GLN 164 H GLN 164 -4.642 14.376 14.376 1271 HA GLN 164 HA GLN 164 -7.081 13.306 13.306 1272 1HB GLN 164 2HB GLN 164 -6.382 13.921 13.921 1273 2HB GLN 164 1HB GLN 164 -7.986 13.456 13.456 1274 1HG GLN 164 2HG GLN 164 -7.670 15.524 15.524 1275 2HG GLN 164 1HG GLN 164 -6.492 16.080 16.080 1276 1HE2 GLN 164 2HE2 GLN 164 -9.780 15.805 15.805 1277 2HE2 GLN 164 1HE2 GLN 164 -8.780 14.490 14.490 1278 H LEU 165 H LEU 165 -4.466 11.851 11.851 1279 HA LEU 165 HA LEU 165 -5.849 9.354 9.354 1280 1HB LEU 165 2HB LEU 165 -3.460 10.743 10.743 1281 2HB LEU 165 1HB LEU 165 -2.911 9.266 9.266 1282 HG LEU 165 HG LEU 165 -3.215 8.930 8.930 1283 1HD1 LEU 165 2HD1 LEU 165 -3.768 7.086 7.086 1284 2HD1 LEU 165 1HD1 LEU 165 -5.454 7.562 7.562 1285 3HD1 LEU 165 3HD1 LEU 165 -4.745 7.027 7.027 1286 1HD2 LEU 165 1HD2 LEU 165 -4.869 10.774 10.774 1287 2HD2 LEU 165 3HD2 LEU 165 -5.404 9.275 9.275 1288 3HD2 LEU 165 2HD2 LEU 165 -6.120 9.824 9.824 1289 H LEU 166 H LEU 166 -2.854 9.914 9.914 1290 HA LEU 166 HA LEU 166 -2.854 7.771 7.771 1291 1HB LEU 166 2HB LEU 166 -2.220 10.627 10.627 1292 2HB LEU 166 1HB LEU 166 -2.351 9.643 9.643 1293 HG LEU 166 HG LEU 166 -0.008 9.694 9.694 1294 1HD1 LEU 166 1HD1 LEU 166 -1.542 7.053 7.053 1295 2HD1 LEU 166 3HD1 LEU 166 0.182 7.096 7.096 1296 3HD1 LEU 166 2HD1 LEU 166 -0.607 7.901 7.901 1297 1HD2 LEU 166 3HD2 LEU 166 -1.236 8.158 8.158 1298 2HD2 LEU 166 2HD2 LEU 166 -0.542 9.778 9.778 1299 3HD2 LEU 166 1HD2 LEU 166 0.472 8.388 8.388 1300 H GLY 167 H GLY 167 -5.091 10.336 10.336 1301 1HA GLY 167 2HA GLY 167 -6.251 9.465 9.465 1302 2HA GLY 167 1HA GLY 167 -7.054 10.457 10.457 1303 H THR 168 H THR 168 -7.332 8.983 8.983 1304 HA THR 168 HA THR 168 -9.348 6.907 6.907 1305 HB THR 168 HB THR 168 -9.031 6.648 6.648 1306 HG1 THR 168 HG1 THR 168 -7.900 9.202 9.202 1307 1HG2 THR 168 3HG2 THR 168 -10.843 7.934 7.934 1308 2HG2 THR 168 2HG2 THR 168 -9.789 9.348 9.348 1309 3HG2 THR 168 1HG2 THR 168 -10.281 8.627 8.627 1310 H TYR 169 H TYR 169 -6.299 6.923 6.923 1311 HA TYR 169 HA TYR 169 -5.669 4.319 4.319 1312 1HB TYR 169 2HB TYR 169 -3.999 5.949 5.949 1313 2HB TYR 169 1HB TYR 169 -3.979 6.479 6.479 1314 HD1 TYR 169 HD1 TYR 169 -3.820 2.796 2.796 1315 HD2 TYR 169 HD2 TYR 169 -1.673 6.267 6.267 1316 HE1 TYR 169 HE1 TYR 169 -1.850 1.420 1.420 1317 HE2 TYR 169 HE2 TYR 169 0.216 4.892 4.892 1318 HH TYR 169 HH TYR 169 1.020 3.126 3.126 1319 H LYS 170 H LYS 170 -5.305 6.014 6.014 1320 HA LYS 170 HA LYS 170 -4.664 3.637 3.637 1321 1HB LYS 170 2HB LYS 170 -4.238 5.813 5.813 1322 2HB LYS 170 1HB LYS 170 -5.835 6.394 6.394 1323 1HG LYS 170 2HG LYS 170 -6.477 4.374 4.374 1324 2HG LYS 170 1HG LYS 170 -4.802 4.578 4.578 1325 1HD LYS 170 2HD LYS 170 -5.720 6.095 6.095 1326 2HD LYS 170 1HD LYS 170 -5.484 7.196 7.196 1327 1HE LYS 170 2HE LYS 170 -8.120 5.740 5.740 1328 2HE LYS 170 1HE LYS 170 -7.768 7.396 7.396 1329 1HZ LYS 170 1HZ LYS 170 -7.356 7.104 7.104 1330 2HZ LYS 170 3HZ LYS 170 -8.836 6.433 6.433 1331 3HZ LYS 170 2HZ LYS 170 -8.528 8.021 8.021 1332 H GLN 171 H GLN 171 -7.644 5.403 5.403 1333 HA GLN 171 HA GLN 171 -9.350 3.659 3.659 1334 1HB GLN 171 2HB GLN 171 -9.704 6.071 6.071 1335 2HB GLN 171 1HB GLN 171 -10.278 5.053 5.053 1336 1HG GLN 171 2HG GLN 171 -12.195 5.750 5.750 1337 2HG GLN 171 1HG GLN 171 -11.938 4.044 4.044 1338 1HE2 GLN 171 2HE2 GLN 171 -12.334 5.410 5.410 1339 2HE2 GLN 171 1HE2 GLN 171 -13.281 4.967 4.967 1340 H VAL 172 H VAL 172 -8.338 3.395 3.395 1341 HA VAL 172 HA VAL 172 -10.005 1.010 1.010 1342 HB VAL 172 HB VAL 172 -9.411 1.528 1.528 1343 1HG1 VAL 172 1HG1 VAL 172 -9.804 4.049 4.049 1344 2HG1 VAL 172 3HG1 VAL 172 -10.001 3.991 3.991 1345 3HG1 VAL 172 2HG1 VAL 172 -11.059 3.038 3.038 1346 1HG2 VAL 172 1HG2 VAL 172 -6.940 1.936 1.936 1347 2HG2 VAL 172 3HG2 VAL 172 -7.717 3.171 3.171 1348 3HG2 VAL 172 2HG2 VAL 172 -7.402 3.471 3.471 1349 H ILE 173 H ILE 173 -6.615 1.793 1.793 1350 HA ILE 173 HA ILE 173 -5.520 -0.751 -0.751 1351 HB ILE 173 HB ILE 173 -4.179 1.625 1.625 1352 1HG1 ILE 173 2HG1 ILE 173 -2.135 0.570 0.570 1353 2HG1 ILE 173 1HG1 ILE 173 -2.849 -0.851 -0.851 1354 1HG2 ILE 173 1HG2 ILE 173 -4.949 1.534 1.534 1355 2HG2 ILE 173 3HG2 ILE 173 -4.022 0.068 0.068 1356 3HG2 ILE 173 2HG2 ILE 173 -3.242 1.587 1.587 1357 1HD1 ILE 173 1HD1 ILE 173 -3.190 0.081 0.081 1358 2HD1 ILE 173 3HD1 ILE 173 -2.048 -1.145 -1.145 1359 3HD1 ILE 173 2HD1 ILE 173 -3.769 -1.423 -1.423 1360 H SER 174 H SER 174 -6.804 0.682 0.682 1361 HA SER 174 HA SER 174 -6.299 -1.442 -1.442 1362 1HB SER 174 2HB SER 174 -8.065 -0.299 -0.299 1363 2HB SER 174 1HB SER 174 -6.819 0.813 0.813 1364 HG SER 174 HG SER 174 -8.224 1.506 1.506 1365 H VAL 175 H VAL 175 -8.253 -1.288 -1.288 1366 HA VAL 175 HA VAL 175 -10.169 -3.351 -3.351 1367 HB VAL 175 HB VAL 175 -10.261 -1.321 -1.321 1368 1HG1 VAL 175 2HG1 VAL 175 -12.139 -3.684 -3.684 1369 2HG1 VAL 175 1HG1 VAL 175 -12.388 -2.368 -2.368 1370 3HG1 VAL 175 3HG1 VAL 175 -11.050 -3.468 -3.468 1371 1HG2 VAL 175 3HG2 VAL 175 -10.926 -0.614 -0.614 1372 2HG2 VAL 175 2HG2 VAL 175 -12.306 -0.644 -0.644 1373 3HG2 VAL 175 1HG2 VAL 175 -12.077 -1.936 -1.936 1374 H VAL 176 H VAL 176 -7.629 -2.617 -2.617 1375 HA VAL 176 HA VAL 176 -8.305 -5.132 -5.132 1376 HB VAL 176 HB VAL 176 -6.446 -4.735 -4.735 1377 1HG1 VAL 176 2HG1 VAL 176 -8.766 -3.819 -3.819 1378 2HG1 VAL 176 1HG1 VAL 176 -8.300 -2.367 -2.367 1379 3HG1 VAL 176 3HG1 VAL 176 -7.608 -2.735 -2.735 1380 1HG2 VAL 176 3HG2 VAL 176 -5.019 -3.387 -3.387 1381 2HG2 VAL 176 2HG2 VAL 176 -5.363 -2.510 -2.510 1382 3HG2 VAL 176 1HG2 VAL 176 -6.344 -2.228 -2.228 1383 H VAL 177 H VAL 177 -6.221 -3.827 -3.827 1384 HA VAL 177 HA VAL 177 -4.218 -5.871 -5.871 1385 HB VAL 177 HB VAL 177 -4.373 -3.399 -3.399 1386 1HG1 VAL 177 2HG1 VAL 177 -6.435 -3.564 -3.564 1387 2HG1 VAL 177 1HG1 VAL 177 -5.765 -4.719 -4.719 1388 3HG1 VAL 177 3HG1 VAL 177 -5.137 -3.084 -3.084 1389 1HG2 VAL 177 3HG2 VAL 177 -3.409 -5.660 -5.660 1390 2HG2 VAL 177 2HG2 VAL 177 -2.437 -4.908 -4.908 1391 3HG2 VAL 177 1HG2 VAL 177 -2.934 -3.982 -3.982 1392 H GLN 178 H GLN 178 -7.479 -5.372 -5.372 1393 HA GLN 178 HA GLN 178 -7.575 -7.906 -7.906 1394 1HB GLN 178 2HB GLN 178 -9.537 -5.606 -5.606 1395 2HB GLN 178 1HB GLN 178 -9.764 -7.075 -7.075 1396 1HG GLN 178 2HG GLN 178 -7.349 -6.375 -6.375 1397 2HG GLN 178 1HG GLN 178 -7.853 -4.790 -4.790 1398 1HE2 GLN 178 2HE2 GLN 178 -9.604 -6.285 -6.285 1399 2HE2 GLN 178 1HE2 GLN 178 -8.431 -7.194 -7.194 1400 H ALA 179 H ALA 179 -7.602 -7.609 -7.609 1401 HA ALA 179 HA ALA 179 -10.306 -8.779 -8.779 1402 1HB ALA 179 3HB ALA 179 -9.680 -6.789 -6.789 1403 2HB ALA 179 2HB ALA 179 -8.230 -7.654 -7.654 1404 3HB ALA 179 1HB ALA 179 -9.812 -8.256 -8.256 1405 H PHE 180 H PHE 180 -6.842 -9.073 -9.073 1406 HA PHE 180 HA PHE 180 -7.194 -11.990 -11.990 1407 1HB PHE 180 2HB PHE 180 -5.145 -11.670 -11.670 1408 2HB PHE 180 1HB PHE 180 -6.663 -10.972 -10.972 1409 HD1 PHE 180 HD1 PHE 180 -3.649 -9.956 -9.956 1410 HD2 PHE 180 HD2 PHE 180 -6.697 -8.817 -8.817 1411 HE1 PHE 180 HE1 PHE 180 -2.719 -7.665 -7.665 1412 HE2 PHE 180 HE2 PHE 180 -5.770 -6.573 -6.573 1413 HZ PHE 180 HZ PHE 180 -3.757 -6.023 -6.023 Start of MODEL 14 1 1H SER 1 2H SER 1 7.910 -9.316 -9.316 2 2H SER 1 1H SER 1 8.769 -7.912 -7.912 3 3H SER 1 3H SER 1 9.533 -9.417 -9.417 4 HA SER 1 HA SER 1 10.294 -9.040 -9.040 5 1HB SER 1 2HB SER 1 8.483 -6.589 -6.589 6 2HB SER 1 1HB SER 1 10.132 -6.804 -6.804 7 HG SER 1 HG SER 1 10.660 -6.026 -6.026 8 HA PRO 2 HA PRO 2 6.518 -10.944 -10.944 9 1HB PRO 2 2HB PRO 2 7.885 -13.172 -13.172 10 2HB PRO 2 1HB PRO 2 7.084 -13.113 -13.113 11 1HG PRO 2 2HG PRO 2 10.016 -12.477 -12.477 12 2HG PRO 2 1HG PRO 2 9.410 -13.605 -13.605 13 1HD PRO 2 2HD PRO 2 10.081 -11.151 -11.151 14 2HD PRO 2 1HD PRO 2 8.535 -11.810 -11.810 15 H LEU 3 H LEU 3 6.991 -8.961 -8.961 16 HA LEU 3 HA LEU 3 8.718 -9.302 -9.302 17 1HB LEU 3 2HB LEU 3 8.537 -7.214 -7.214 18 2HB LEU 3 1HB LEU 3 7.634 -6.601 -6.601 19 HG LEU 3 HG LEU 3 9.941 -5.891 -5.891 20 1HD1 LEU 3 3HD1 LEU 3 8.778 -6.446 -6.446 21 2HD1 LEU 3 2HD1 LEU 3 9.347 -8.100 -8.100 22 3HD1 LEU 3 1HD1 LEU 3 10.490 -6.793 -6.793 23 1HD2 LEU 3 1HD2 LEU 3 11.039 -7.638 -7.638 24 2HD2 LEU 3 3HD2 LEU 3 11.817 -7.508 -7.508 25 3HD2 LEU 3 2HD2 LEU 3 10.732 -8.844 -8.844 26 HA PRO 4 HA PRO 4 4.346 -9.831 -9.831 27 1HB PRO 4 2HB PRO 4 4.946 -11.600 -11.600 28 2HB PRO 4 1HB PRO 4 4.729 -12.107 -12.107 29 1HG PRO 4 2HG PRO 4 7.361 -11.349 -11.349 30 2HG PRO 4 1HG PRO 4 7.001 -12.857 -12.857 31 1HD PRO 4 2HD PRO 4 8.272 -10.929 -10.929 32 2HD PRO 4 1HD PRO 4 6.921 -11.729 -11.729 33 H ILE 5 H ILE 5 3.458 -9.663 -9.663 34 HA ILE 5 HA ILE 5 4.906 -7.464 -7.464 35 HB ILE 5 HB ILE 5 1.880 -7.956 -7.956 36 1HG1 ILE 5 2HG1 ILE 5 1.948 -5.619 -5.619 37 2HG1 ILE 5 1HG1 ILE 5 3.639 -5.963 -5.963 38 1HG2 ILE 5 3HG2 ILE 5 3.446 -5.651 -5.651 39 2HG2 ILE 5 2HG2 ILE 5 1.699 -5.726 -5.726 40 3HG2 ILE 5 1HG2 ILE 5 2.527 -6.875 -6.875 41 1HD1 ILE 5 1HD1 ILE 5 1.321 -7.708 -7.708 42 2HD1 ILE 5 3HD1 ILE 5 2.234 -6.594 -6.594 43 3HD1 ILE 5 2HD1 ILE 5 3.012 -8.011 -8.011 44 H THR 6 H THR 6 5.542 -7.926 -7.926 45 HA THR 6 HA THR 6 5.020 -10.433 -10.433 46 HB THR 6 HB THR 6 6.354 -9.026 -9.026 47 HG1 THR 6 HG1 THR 6 7.132 -7.183 -7.183 48 1HG2 THR 6 3HG2 THR 6 7.543 -9.537 -9.537 49 2HG2 THR 6 2HG2 THR 6 8.445 -9.438 -9.438 50 3HG2 THR 6 1HG2 THR 6 7.382 -10.800 -10.800 51 HA PRO 7 HA PRO 7 2.151 -8.461 -8.461 52 1HB PRO 7 2HB PRO 7 1.392 -5.875 -5.875 53 2HB PRO 7 1HB PRO 7 2.931 -6.305 -6.305 54 1HG PRO 7 2HG PRO 7 2.386 -5.421 -5.421 55 2HG PRO 7 1HG PRO 7 3.600 -4.768 -4.768 56 1HD PRO 7 2HD PRO 7 4.260 -6.700 -6.700 57 2HD PRO 7 1HD PRO 7 5.027 -6.738 -6.738 58 H VAL 8 H VAL 8 1.429 -9.894 -9.894 59 HA VAL 8 HA VAL 8 -0.090 -9.557 -9.557 60 HB VAL 8 HB VAL 8 0.250 -11.755 -11.755 61 1HG1 VAL 8 1HG1 VAL 8 0.096 -11.203 -11.203 62 2HG1 VAL 8 3HG1 VAL 8 -1.647 -11.027 -11.027 63 3HG1 VAL 8 2HG1 VAL 8 -0.897 -12.575 -12.575 64 1HG2 VAL 8 3HG2 VAL 8 -1.736 -11.577 -11.577 65 2HG2 VAL 8 2HG2 VAL 8 -2.007 -12.780 -12.780 66 3HG2 VAL 8 1HG2 VAL 8 -2.748 -11.195 -11.195 67 H ASN 9 H ASN 9 -1.352 -9.160 -9.160 68 HA ASN 9 HA ASN 9 -3.600 -7.422 -7.422 69 1HB ASN 9 2HB ASN 9 -3.687 -9.857 -9.857 70 2HB ASN 9 1HB ASN 9 -4.777 -8.540 -8.540 71 1HD2 ASN 9 2HD2 ASN 9 -5.731 -10.979 -10.979 72 2HD2 ASN 9 1HD2 ASN 9 -4.471 -11.306 -11.306 73 H ALA 10 H ALA 10 -2.621 -8.453 -8.453 74 HA ALA 10 HA ALA 10 -1.859 -5.620 -5.620 75 1HB ALA 10 1HB ALA 10 -3.327 -7.536 -7.536 76 2HB ALA 10 3HB ALA 10 -2.778 -5.907 -5.907 77 3HB ALA 10 2HB ALA 10 -4.050 -6.143 -6.143 78 H THR 11 H THR 11 -1.558 -8.296 -8.296 79 HA THR 11 HA THR 11 1.346 -8.267 -8.267 80 HB THR 11 HB THR 11 1.254 -8.322 -8.322 81 HG1 THR 11 HG1 THR 11 0.130 -5.921 -5.921 82 1HG2 THR 11 3HG2 THR 11 1.859 -5.996 -5.996 83 2HG2 THR 11 2HG2 THR 11 2.404 -6.128 -6.128 84 3HG2 THR 11 1HG2 THR 11 3.019 -7.227 -7.227 85 H CYS 12 H CYS 12 -0.738 -10.391 -10.391 86 HA CYS 12 HA CYS 12 0.208 -12.508 -12.508 87 1HB CYS 12 2HB CYS 12 -1.861 -12.249 -12.249 88 2HB CYS 12 1HB CYS 12 -1.165 -13.828 -13.828 89 H ALA 13 H ALA 13 2.162 -11.309 -11.309 90 HA ALA 13 HA ALA 13 3.301 -13.264 -13.264 91 1HB ALA 13 1HB ALA 13 4.139 -10.360 -10.360 92 2HB ALA 13 3HB ALA 13 4.845 -11.412 -11.412 93 3HB ALA 13 2HB ALA 13 3.181 -10.882 -10.882 94 H ILE 14 H ILE 14 4.303 -11.041 -11.041 95 HA ILE 14 HA ILE 14 6.336 -13.063 -13.063 96 HB ILE 14 HB ILE 14 7.105 -11.041 -11.041 97 1HG1 ILE 14 2HG1 ILE 14 6.475 -8.800 -8.800 98 2HG1 ILE 14 1HG1 ILE 14 5.477 -9.379 -9.379 99 1HG2 ILE 14 2HG2 ILE 14 7.181 -10.844 -10.844 100 2HG2 ILE 14 1HG2 ILE 14 8.299 -10.037 -10.037 101 3HG2 ILE 14 3HG2 ILE 14 8.274 -11.784 -11.784 102 1HD1 ILE 14 1HD1 ILE 14 4.937 -9.786 -9.786 103 2HD1 ILE 14 3HD1 ILE 14 4.124 -8.626 -8.626 104 3HD1 ILE 14 2HD1 ILE 14 3.870 -10.338 -10.338 105 H ARG 15 H ARG 15 3.585 -13.394 -13.394 106 HA ARG 15 HA ARG 15 3.176 -13.148 -13.148 107 1HB ARG 15 2HB ARG 15 0.946 -12.951 -12.951 108 2HB ARG 15 1HB ARG 15 1.483 -12.557 -12.557 109 1HG ARG 15 2HG ARG 15 0.083 -14.299 -14.299 110 2HG ARG 15 1HG ARG 15 1.216 -15.419 -15.419 111 1HD ARG 15 2HD ARG 15 -0.069 -15.037 -15.037 112 2HD ARG 15 1HD ARG 15 -1.304 -14.263 -14.263 113 HE ARG 15 HE ARG 15 -1.422 -16.316 -16.316 114 1HH1 ARG 15 2HH1 ARG 15 -0.149 -16.544 -16.544 115 2HH1 ARG 15 1HH1 ARG 15 -0.354 -18.220 -18.220 116 1HH2 ARG 15 1HH2 ARG 15 -1.792 -18.523 -18.523 117 2HH2 ARG 15 2HH2 ARG 15 -1.356 -19.377 -19.377 118 H HIS 16 H HIS 16 3.643 -15.380 -15.380 119 HA HIS 16 HA HIS 16 3.414 -17.657 -17.657 120 1HB HIS 16 2HB HIS 16 3.043 -19.082 -19.082 121 2HB HIS 16 1HB HIS 16 1.984 -17.681 -17.681 122 HD1 HIS 16 HD1 HIS 16 5.426 -18.568 -18.568 123 HD2 HIS 16 HD2 HIS 16 2.256 -16.353 -16.353 124 HE1 HIS 16 HE1 HIS 16 6.059 -17.678 -17.678 125 HA PRO 17 HA PRO 17 7.719 -18.472 -18.472 126 1HB PRO 17 2HB PRO 17 9.456 -16.485 -16.485 127 2HB PRO 17 1HB PRO 17 8.565 -16.874 -16.874 128 1HG PRO 17 2HG PRO 17 8.101 -14.548 -14.548 129 2HG PRO 17 1HG PRO 17 7.835 -14.613 -14.613 130 1HD PRO 17 2HD PRO 17 5.824 -15.147 -15.147 131 2HD PRO 17 1HD PRO 17 5.585 -15.158 -15.158 132 H CYS 18 H CYS 18 5.980 -16.556 -16.556 133 HA CYS 18 HA CYS 18 7.928 -16.916 -16.916 134 1HB CYS 18 2HB CYS 18 6.353 -15.168 -15.168 135 2HB CYS 18 1HB CYS 18 7.367 -14.631 -14.631 136 H HIS 19 H HIS 19 6.964 -17.455 -17.455 137 HA HIS 19 HA HIS 19 4.377 -18.832 -18.832 138 1HB HIS 19 2HB HIS 19 6.963 -20.332 -20.332 139 2HB HIS 19 1HB HIS 19 5.350 -20.972 -20.972 140 HD1 HIS 19 HD1 HIS 19 7.666 -20.047 -20.047 141 HD2 HIS 19 HD2 HIS 19 4.168 -22.071 -22.071 142 HE1 HIS 19 HE1 HIS 19 7.152 -21.177 -21.177 143 H GLY 20 H GLY 20 4.476 -20.024 -20.024 144 1HA GLY 20 2HA GLY 20 5.654 -19.303 -19.303 145 2HA GLY 20 1HA GLY 20 4.896 -17.749 -17.749 146 H ASN 21 H ASN 21 2.906 -17.509 -17.509 147 HA ASN 21 HA ASN 21 1.176 -19.941 -19.941 148 1HB ASN 21 2HB ASN 21 1.520 -17.889 -17.889 149 2HB ASN 21 1HB ASN 21 0.552 -19.344 -19.344 150 1HD2 ASN 21 2HD2 ASN 21 3.341 -21.279 -21.279 151 2HD2 ASN 21 1HD2 ASN 21 1.654 -21.214 -21.214 152 H LEU 22 H LEU 22 1.156 -16.648 -16.648 153 HA LEU 22 HA LEU 22 -0.004 -14.880 -14.880 154 1HB LEU 22 2HB LEU 22 -1.613 -16.332 -16.332 155 2HB LEU 22 1HB LEU 22 -2.309 -16.954 -16.954 156 HG LEU 22 HG LEU 22 -3.184 -14.657 -14.657 157 1HD1 LEU 22 1HD1 LEU 22 -2.131 -13.909 -13.909 158 2HD1 LEU 22 3HD1 LEU 22 -3.181 -12.918 -12.918 159 3HD1 LEU 22 2HD1 LEU 22 -1.558 -13.282 -13.282 160 1HD2 LEU 22 1HD2 LEU 22 -4.620 -16.305 -16.305 161 2HD2 LEU 22 3HD2 LEU 22 -4.998 -14.671 -14.671 162 3HD2 LEU 22 2HD2 LEU 22 -4.079 -15.704 -15.704 163 H MET 23 H MET 23 -1.997 -16.788 -16.788 164 HA MET 23 HA MET 23 -3.339 -15.502 -15.502 165 1HB MET 23 2HB MET 23 -1.080 -17.367 -17.367 166 2HB MET 23 1HB MET 23 -2.390 -16.865 -16.865 167 1HG MET 23 2HG MET 23 -4.035 -17.846 -17.846 168 2HG MET 23 1HG MET 23 -2.745 -18.337 -18.337 169 1HE MET 23 2HE MET 23 -4.008 -18.575 -18.575 170 2HE MET 23 1HE MET 23 -5.163 -19.520 -19.520 171 3HE MET 23 3HE MET 23 -4.116 -20.308 -20.308 172 H ASN 24 H ASN 24 -0.539 -15.680 -15.680 173 HA ASN 24 HA ASN 24 -0.966 -12.792 -12.792 174 1HB ASN 24 2HB ASN 24 0.332 -14.986 -14.986 175 2HB ASN 24 1HB ASN 24 0.868 -13.346 -13.346 176 1HD2 ASN 24 2HD2 ASN 24 -3.052 -14.221 -14.221 177 2HD2 ASN 24 1HD2 ASN 24 -2.259 -15.106 -15.106 178 H GLN 25 H GLN 25 0.351 -13.549 -13.549 179 HA GLN 25 HA GLN 25 3.184 -12.693 -12.693 180 1HB GLN 25 2HB GLN 25 2.299 -14.361 -14.361 181 2HB GLN 25 1HB GLN 25 1.927 -12.861 -12.861 182 1HG GLN 25 2HG GLN 25 4.730 -13.703 -13.703 183 2HG GLN 25 1HG GLN 25 4.105 -13.786 -13.786 184 1HE2 GLN 25 2HE2 GLN 25 4.827 -9.919 -9.919 185 2HE2 GLN 25 1HE2 GLN 25 3.900 -10.762 -10.762 186 H ILE 26 H ILE 26 0.339 -11.888 -11.888 187 HA ILE 26 HA ILE 26 1.092 -9.097 -9.097 188 HB ILE 26 HB ILE 26 -1.307 -8.759 -8.759 189 1HG1 ILE 26 2HG1 ILE 26 -1.532 -11.802 -11.802 190 2HG1 ILE 26 1HG1 ILE 26 -2.236 -10.784 -10.784 191 1HG2 ILE 26 2HG2 ILE 26 0.592 -9.278 -9.278 192 2HG2 ILE 26 1HG2 ILE 26 0.324 -10.999 -10.999 193 3HG2 ILE 26 3HG2 ILE 26 -0.867 -10.015 -10.015 194 1HD1 ILE 26 1HD1 ILE 26 -2.754 -10.430 -10.430 195 2HD1 ILE 26 3HD1 ILE 26 -3.841 -11.221 -11.221 196 3HD1 ILE 26 2HD1 ILE 26 -3.475 -9.507 -9.507 197 H LYS 27 H LYS 27 -0.792 -10.862 -10.862 198 HA LYS 27 HA LYS 27 -1.978 -8.494 -8.494 199 1HB LYS 27 2HB LYS 27 -2.606 -10.955 -10.955 200 2HB LYS 27 1HB LYS 27 -1.139 -11.034 -11.034 201 1HG LYS 27 2HG LYS 27 -1.891 -9.417 -9.417 202 2HG LYS 27 1HG LYS 27 -3.196 -8.903 -8.903 203 1HD LYS 27 2HD LYS 27 -4.575 -10.624 -10.624 204 2HD LYS 27 1HD LYS 27 -3.326 -11.815 -11.815 205 1HE LYS 27 2HE LYS 27 -4.048 -9.743 -9.743 206 2HE LYS 27 1HE LYS 27 -4.425 -11.462 -11.462 207 1HZ LYS 27 1HZ LYS 27 -1.692 -11.150 -11.150 208 2HZ LYS 27 3HZ LYS 27 -2.049 -10.221 -10.221 209 3HZ LYS 27 2HZ LYS 27 -2.371 -11.900 -11.900 210 H ASN 28 H ASN 28 0.802 -10.532 -10.532 211 HA ASN 28 HA ASN 28 2.115 -9.139 -9.139 212 1HB ASN 28 2HB ASN 28 3.066 -11.211 -11.211 213 2HB ASN 28 1HB ASN 28 3.201 -10.668 -10.668 214 1HD2 ASN 28 2HD2 ASN 28 6.322 -9.221 -9.221 215 2HD2 ASN 28 1HD2 ASN 28 5.081 -9.553 -9.553 216 H GLN 29 H GLN 29 2.506 -8.613 -8.613 217 HA GLN 29 HA GLN 29 4.255 -6.344 -6.344 218 1HB GLN 29 2HB GLN 29 2.915 -7.717 -7.717 219 2HB GLN 29 1HB GLN 29 2.828 -5.977 -5.977 220 1HG GLN 29 2HG GLN 29 4.830 -6.921 -6.921 221 2HG GLN 29 1HG GLN 29 5.245 -5.744 -5.744 222 1HE2 GLN 29 2HE2 GLN 29 7.385 -8.146 -8.146 223 2HE2 GLN 29 1HE2 GLN 29 7.194 -6.557 -6.557 224 H LEU 30 H LEU 30 0.890 -6.461 -6.461 225 HA LEU 30 HA LEU 30 0.125 -3.855 -3.855 226 1HB LEU 30 2HB LEU 30 -1.237 -6.027 -6.027 227 2HB LEU 30 1HB LEU 30 -1.574 -5.909 -5.909 228 HG LEU 30 HG LEU 30 -3.396 -4.890 -4.890 229 1HD1 LEU 30 2HD1 LEU 30 -2.370 -3.320 -3.320 230 2HD1 LEU 30 1HD1 LEU 30 -1.640 -2.466 -2.466 231 3HD1 LEU 30 3HD1 LEU 30 -3.378 -2.620 -2.620 232 1HD2 LEU 30 3HD2 LEU 30 -1.286 -3.391 -3.391 233 2HD2 LEU 30 2HD2 LEU 30 -2.286 -4.744 -4.744 234 3HD2 LEU 30 1HD2 LEU 30 -3.017 -3.193 -3.193 235 H ALA 31 H ALA 31 0.444 -5.765 -5.765 236 HA ALA 31 HA ALA 31 -0.445 -3.841 -3.841 237 1HB ALA 31 2HB ALA 31 0.396 -6.161 -6.161 238 2HB ALA 31 1HB ALA 31 2.034 -5.646 -5.646 239 3HB ALA 31 3HB ALA 31 1.188 -4.928 -4.928 240 H GLN 32 H GLN 32 2.715 -4.174 -4.174 241 HA GLN 32 HA GLN 32 4.013 -1.978 -1.978 242 1HB GLN 32 2HB GLN 32 4.451 -3.008 -3.008 243 2HB GLN 32 1HB GLN 32 5.562 -1.963 -1.963 244 1HG GLN 32 2HG GLN 32 4.770 -4.735 -4.735 245 2HG GLN 32 1HG GLN 32 6.209 -4.431 -4.431 246 1HE2 GLN 32 2HE2 GLN 32 6.866 -2.294 -2.294 247 2HE2 GLN 32 1HE2 GLN 32 5.937 -1.692 -1.692 248 H LEU 33 H LEU 33 1.618 -2.024 -2.024 249 HA LEU 33 HA LEU 33 1.907 0.847 0.847 250 1HB LEU 33 2HB LEU 33 -0.027 -1.316 -1.316 251 2HB LEU 33 1HB LEU 33 -0.057 0.342 0.342 252 HG LEU 33 HG LEU 33 1.073 -1.026 -1.026 253 1HD1 LEU 33 3HD1 LEU 33 1.940 1.266 1.266 254 2HD1 LEU 33 2HD1 LEU 33 3.105 0.609 0.609 255 3HD1 LEU 33 1HD1 LEU 33 3.214 0.205 0.205 256 1HD2 LEU 33 3HD2 LEU 33 1.830 -2.878 -2.878 257 2HD2 LEU 33 2HD2 LEU 33 3.098 -2.311 -2.311 258 3HD2 LEU 33 1HD2 LEU 33 3.081 -1.851 -1.851 259 H ASN 34 H ASN 34 0.024 -1.343 -1.343 260 HA ASN 34 HA ASN 34 -2.165 0.322 0.322 261 1HB ASN 34 2HB ASN 34 -2.142 -2.156 -2.156 262 2HB ASN 34 1HB ASN 34 -0.912 -2.009 -2.009 263 1HD2 ASN 34 2HD2 ASN 34 -4.276 -0.360 -0.360 264 2HD2 ASN 34 1HD2 ASN 34 -3.511 0.332 0.332 265 H GLY 35 H GLY 35 0.480 -0.715 -0.715 266 1HA GLY 35 2HA GLY 35 0.353 1.037 1.037 267 2HA GLY 35 1HA GLY 35 1.891 0.452 0.452 268 H SER 36 H SER 36 1.812 1.620 1.620 269 HA SER 36 HA SER 36 2.571 4.313 4.313 270 1HB SER 36 2HB SER 36 3.259 4.359 4.359 271 2HB SER 36 1HB SER 36 3.933 3.036 3.036 272 HG SER 36 HG SER 36 3.101 1.766 1.766 273 H ALA 37 H ALA 37 -0.095 2.912 2.912 274 HA ALA 37 HA ALA 37 -1.216 5.151 5.151 275 1HB ALA 37 3HB ALA 37 -2.416 2.926 2.926 276 2HB ALA 37 2HB ALA 37 -2.858 3.214 3.214 277 3HB ALA 37 1HB ALA 37 -3.471 4.262 4.262 278 H ASN 38 H ASN 38 -1.234 4.222 4.222 279 HA ASN 38 HA ASN 38 -2.633 6.736 6.736 280 1HB ASN 38 2HB ASN 38 -3.091 4.502 4.502 281 2HB ASN 38 1HB ASN 38 -1.498 4.602 4.602 282 1HD2 ASN 38 2HD2 ASN 38 -3.260 7.877 7.877 283 2HD2 ASN 38 1HD2 ASN 38 -2.474 7.859 7.859 284 H ALA 39 H ALA 39 0.504 5.175 5.175 285 HA ALA 39 HA ALA 39 1.637 7.447 7.447 286 1HB ALA 39 2HB ALA 39 2.451 5.074 5.074 287 2HB ALA 39 1HB ALA 39 2.995 5.089 5.089 288 3HB ALA 39 3HB ALA 39 3.771 6.136 6.136 289 H LEU 40 H LEU 40 2.427 6.141 6.141 290 HA LEU 40 HA LEU 40 4.093 8.233 8.233 291 1HB LEU 40 2HB LEU 40 4.097 6.241 6.241 292 2HB LEU 40 1HB LEU 40 2.356 6.207 6.207 293 HG LEU 40 HG LEU 40 3.805 6.821 6.821 294 1HD1 LEU 40 3HD1 LEU 40 1.369 6.964 6.964 295 2HD1 LEU 40 2HD1 LEU 40 1.397 8.585 8.585 296 3HD1 LEU 40 1HD1 LEU 40 2.024 8.283 8.283 297 1HD2 LEU 40 1HD2 LEU 40 3.657 9.513 9.513 298 2HD2 LEU 40 3HD2 LEU 40 5.139 8.678 8.678 299 3HD2 LEU 40 2HD2 LEU 40 4.118 9.224 9.224 300 H PHE 41 H PHE 41 0.603 7.683 7.683 301 HA PHE 41 HA PHE 41 -0.169 9.954 9.954 302 1HB PHE 41 2HB PHE 41 -1.914 8.597 8.597 303 2HB PHE 41 1HB PHE 41 -1.478 8.870 8.870 304 HD1 PHE 41 HD2 PHE 41 -1.622 11.596 11.596 305 HD2 PHE 41 HD1 PHE 41 -3.667 9.639 9.639 306 HE1 PHE 41 HE2 PHE 41 -3.271 13.332 13.332 307 HE2 PHE 41 HE1 PHE 41 -5.325 11.407 11.407 308 HZ PHE 41 HZ PHE 41 -5.084 13.287 13.287 309 H ILE 42 H ILE 42 0.273 9.920 9.920 310 HA ILE 42 HA ILE 42 0.057 12.758 12.758 311 HB ILE 42 HB ILE 42 1.114 10.397 10.397 312 1HG1 ILE 42 2HG1 ILE 42 -0.873 10.407 10.407 313 2HG1 ILE 42 1HG1 ILE 42 -0.986 12.158 12.158 314 1HG2 ILE 42 1HG2 ILE 42 1.163 13.274 13.274 315 2HG2 ILE 42 3HG2 ILE 42 1.455 11.850 11.850 316 3HG2 ILE 42 2HG2 ILE 42 2.564 12.258 12.258 317 1HD1 ILE 42 1HD1 ILE 42 -1.603 10.562 10.562 318 2HD1 ILE 42 3HD1 ILE 42 -2.817 11.105 11.105 319 3HD1 ILE 42 2HD1 ILE 42 -1.782 12.178 12.178 320 H SER 43 H SER 43 2.783 10.734 10.734 321 HA SER 43 HA SER 43 4.865 12.568 12.568 322 1HB SER 43 2HB SER 43 5.032 9.795 9.795 323 2HB SER 43 1HB SER 43 6.358 10.667 10.667 324 HG SER 43 HG SER 43 4.162 9.407 9.407 325 H TYR 44 H TYR 44 2.958 11.806 11.806 326 HA TYR 44 HA TYR 44 4.729 12.653 12.653 327 1HB TYR 44 2HB TYR 44 3.414 10.963 10.963 328 2HB TYR 44 1HB TYR 44 2.091 11.168 11.168 329 HD1 TYR 44 HD1 TYR 44 3.712 12.555 12.555 330 HD2 TYR 44 HD2 TYR 44 0.119 12.418 12.418 331 HE1 TYR 44 HE1 TYR 44 2.717 13.717 13.717 332 HE2 TYR 44 HE2 TYR 44 -0.880 13.543 13.543 333 HH TYR 44 HH TYR 44 0.638 15.319 15.319 334 H TYR 45 H TYR 45 1.479 13.322 13.322 335 HA TYR 45 HA TYR 45 1.382 15.958 15.958 336 1HB TYR 45 2HB TYR 45 -0.866 15.940 15.940 337 2HB TYR 45 1HB TYR 45 -0.528 14.260 14.260 338 HD1 TYR 45 HD2 TYR 45 0.254 17.185 17.185 339 HD2 TYR 45 HD1 TYR 45 -1.817 13.471 13.471 340 HE1 TYR 45 HE2 TYR 45 -0.513 17.385 17.385 341 HE2 TYR 45 HE1 TYR 45 -2.596 13.746 13.746 342 HH TYR 45 HH TYR 45 -1.579 16.244 16.244 343 H THR 46 H THR 46 2.630 14.954 14.954 344 HA THR 46 HA THR 46 2.634 17.435 17.435 345 HB THR 46 HB THR 46 4.806 16.361 16.361 346 HG1 THR 46 HG1 THR 46 5.396 14.677 14.677 347 1HG2 THR 46 3HG2 THR 46 2.116 14.927 14.927 348 2HG2 THR 46 2HG2 THR 46 3.437 14.688 14.688 349 3HG2 THR 46 1HG2 THR 46 2.621 16.242 16.242 350 H ALA 47 H ALA 47 4.409 16.459 16.459 351 HA ALA 47 HA ALA 47 6.386 18.659 18.659 352 1HB ALA 47 2HB ALA 47 7.224 16.514 16.514 353 2HB ALA 47 1HB ALA 47 6.171 16.738 16.738 354 3HB ALA 47 3HB ALA 47 7.472 17.873 17.873 355 H GLN 48 H GLN 48 3.249 18.413 18.413 356 HA GLN 48 HA GLN 48 3.819 20.284 20.284 357 1HB GLN 48 2HB GLN 48 1.122 19.733 19.733 358 2HB GLN 48 1HB GLN 48 1.370 20.538 20.538 359 1HG GLN 48 2HG GLN 48 1.833 17.622 17.622 360 2HG GLN 48 1HG GLN 48 0.786 18.272 18.272 361 1HE2 GLN 48 2HE2 GLN 48 4.702 17.603 17.603 362 2HE2 GLN 48 1HE2 GLN 48 3.941 17.397 17.397 363 H GLY 49 H GLY 49 2.351 20.651 20.651 364 1HA GLY 49 2HA GLY 49 3.146 22.575 22.575 365 2HA GLY 49 1HA GLY 49 2.790 23.576 23.576 366 H GLU 50 H GLU 50 0.925 24.512 24.512 367 HA GLU 50 HA GLU 50 -1.411 22.846 22.846 368 1HB GLU 50 2HB GLU 50 -2.014 25.260 25.260 369 2HB GLU 50 1HB GLU 50 -1.410 23.845 23.845 370 1HG GLU 50 2HG GLU 50 -0.107 25.863 25.863 371 2HG GLU 50 1HG GLU 50 0.948 24.784 24.784 372 HA PRO 51 HA PRO 51 -3.834 24.416 24.416 373 1HB PRO 51 2HB PRO 51 -6.237 24.265 24.265 374 2HB PRO 51 1HB PRO 51 -5.470 25.832 25.832 375 1HG PRO 51 2HG PRO 51 -5.221 24.110 24.110 376 2HG PRO 51 1HG PRO 51 -5.807 25.786 25.786 377 1HD PRO 51 2HD PRO 51 -3.203 25.352 25.352 378 2HD PRO 51 1HD PRO 51 -3.575 26.610 26.610 379 H PHE 52 H PHE 52 -2.761 22.420 22.420 380 HA PHE 52 HA PHE 52 -4.208 20.101 20.101 381 1HB PHE 52 2HB PHE 52 -1.407 20.864 20.864 382 2HB PHE 52 1HB PHE 52 -1.482 19.305 19.305 383 HD1 PHE 52 HD2 PHE 52 -4.320 20.132 20.132 384 HD2 PHE 52 HD1 PHE 52 -0.401 18.415 18.415 385 HE1 PHE 52 HE2 PHE 52 -4.633 18.931 18.931 386 HE2 PHE 52 HE1 PHE 52 -0.759 17.246 17.246 387 HZ PHE 52 HZ PHE 52 -2.806 17.489 17.489 388 HA PRO 53 HA PRO 53 -2.389 18.297 18.297 389 1HB PRO 53 2HB PRO 53 -1.542 20.306 20.306 390 2HB PRO 53 1HB PRO 53 -0.460 19.266 19.266 391 1HG PRO 53 2HG PRO 53 -1.505 22.052 22.052 392 2HG PRO 53 1HG PRO 53 0.156 21.463 21.463 393 1HD PRO 53 2HD PRO 53 -1.256 21.488 21.488 394 2HD PRO 53 1HD PRO 53 -0.368 20.001 20.001 395 H ASN 54 H ASN 54 -4.166 21.008 21.008 396 HA ASN 54 HA ASN 54 -6.075 20.412 20.412 397 1HB ASN 54 2HB ASN 54 -5.818 23.083 23.083 398 2HB ASN 54 1HB ASN 54 -6.747 22.747 22.747 399 1HD2 ASN 54 2HD2 ASN 54 -3.956 23.289 23.289 400 2HD2 ASN 54 1HD2 ASN 54 -5.637 23.051 23.051 401 H ASN 55 H ASN 55 -5.835 20.491 20.491 402 HA ASN 55 HA ASN 55 -8.811 20.111 20.111 403 1HB ASN 55 2HB ASN 55 -6.992 21.666 21.666 404 2HB ASN 55 1HB ASN 55 -8.640 21.167 21.167 405 1HD2 ASN 55 2HD2 ASN 55 -8.157 24.367 24.367 406 2HD2 ASN 55 1HD2 ASN 55 -6.789 23.495 23.495 407 H LEU 56 H LEU 56 -6.192 18.560 18.560 408 HA LEU 56 HA LEU 56 -5.919 17.158 17.158 409 1HB LEU 56 2HB LEU 56 -4.694 15.526 15.526 410 2HB LEU 56 1HB LEU 56 -4.564 16.906 16.906 411 HG LEU 56 HG LEU 56 -6.741 15.909 15.909 412 1HD1 LEU 56 1HD1 LEU 56 -7.051 14.083 14.083 413 2HD1 LEU 56 3HD1 LEU 56 -5.540 13.455 13.455 414 3HD1 LEU 56 2HD1 LEU 56 -6.929 13.502 13.502 415 1HD2 LEU 56 3HD2 LEU 56 -4.381 15.802 15.802 416 2HD2 LEU 56 2HD2 LEU 56 -5.371 14.400 14.400 417 3HD2 LEU 56 1HD2 LEU 56 -4.209 14.295 14.295 418 H ASP 57 H ASP 57 -8.153 16.911 16.911 419 HA ASP 57 HA ASP 57 -9.436 14.642 14.642 420 1HB ASP 57 2HB ASP 57 -10.487 17.227 17.227 421 2HB ASP 57 1HB ASP 57 -11.503 15.802 15.802 422 H LYS 58 H LYS 58 -10.111 17.778 17.778 423 HA LYS 58 HA LYS 58 -12.198 16.315 16.315 424 1HB LYS 58 2HB LYS 58 -11.816 19.260 19.260 425 2HB LYS 58 1HB LYS 58 -12.924 18.660 18.660 426 1HG LYS 58 2HG LYS 58 -14.043 17.254 17.254 427 2HG LYS 58 1HG LYS 58 -13.027 18.078 18.078 428 1HD LYS 58 2HD LYS 58 -13.911 20.262 20.262 429 2HD LYS 58 1HD LYS 58 -14.856 19.504 19.504 430 1HE LYS 58 2HE LYS 58 -16.139 18.224 18.224 431 2HE LYS 58 1HE LYS 58 -15.280 19.145 19.145 432 1HZ LYS 58 3HZ LYS 58 -16.269 20.965 20.965 433 2HZ LYS 58 2HZ LYS 58 -17.539 19.921 19.921 434 3HZ LYS 58 1HZ LYS 58 -16.724 20.800 20.800 435 H LEU 59 H LEU 59 -9.126 17.514 17.514 436 HA LEU 59 HA LEU 59 -9.203 17.923 17.923 437 1HB LEU 59 2HB LEU 59 -6.923 18.412 18.412 438 2HB LEU 59 1HB LEU 59 -7.055 19.025 19.025 439 HG LEU 59 HG LEU 59 -8.989 19.714 19.714 440 1HD1 LEU 59 1HD1 LEU 59 -6.713 21.318 21.318 441 2HD1 LEU 59 3HD1 LEU 59 -7.897 21.883 21.883 442 3HD1 LEU 59 2HD1 LEU 59 -6.802 20.575 20.575 443 1HD2 LEU 59 2HD2 LEU 59 -8.826 20.938 20.938 444 2HD2 LEU 59 1HD2 LEU 59 -10.103 19.868 19.868 445 3HD2 LEU 59 3HD2 LEU 59 -9.848 21.432 21.432 446 H CYS 60 H CYS 60 -8.316 15.757 15.757 447 HA CYS 60 HA CYS 60 -6.964 13.848 13.848 448 1HB CYS 60 2HB CYS 60 -6.065 14.442 14.442 449 2HB CYS 60 1HB CYS 60 -5.258 13.526 13.526 450 H GLY 61 H GLY 61 -9.676 13.339 13.339 451 1HA GLY 61 2HA GLY 61 -9.436 11.267 11.267 452 2HA GLY 61 1HA GLY 61 -10.783 12.360 12.360 453 HA PRO 62 HA PRO 62 -12.844 9.484 9.484 454 1HB PRO 62 2HB PRO 62 -14.741 11.013 11.013 455 2HB PRO 62 1HB PRO 62 -14.659 10.880 10.880 456 1HG PRO 62 2HG PRO 62 -13.654 13.146 13.146 457 2HG PRO 62 1HG PRO 62 -14.480 13.252 13.252 458 1HD PRO 62 2HD PRO 62 -11.655 13.370 13.370 459 2HD PRO 62 1HD PRO 62 -12.466 13.052 13.052 460 H ASN 63 H ASN 63 -13.856 9.605 9.605 461 HA ASN 63 HA ASN 63 -11.487 10.007 10.007 462 1HB ASN 63 2HB ASN 63 -12.696 8.443 8.443 463 2HB ASN 63 1HB ASN 63 -12.629 7.710 7.710 464 1HD2 ASN 63 2HD2 ASN 63 -16.141 8.132 8.132 465 2HD2 ASN 63 1HD2 ASN 63 -14.696 7.996 7.996 466 H VAL 64 H VAL 64 -11.541 11.419 11.419 467 HA VAL 64 HA VAL 64 -13.975 12.936 12.936 468 HB VAL 64 HB VAL 64 -11.208 14.073 14.073 469 1HG1 VAL 64 3HG1 VAL 64 -12.459 15.505 15.505 470 2HG1 VAL 64 2HG1 VAL 64 -13.816 15.569 15.569 471 3HG1 VAL 64 1HG1 VAL 64 -12.291 16.322 16.322 472 1HG2 VAL 64 2HG2 VAL 64 -13.733 14.169 14.169 473 2HG2 VAL 64 1HG2 VAL 64 -12.259 13.296 13.296 474 3HG2 VAL 64 3HG2 VAL 64 -12.258 15.045 15.045 475 H THR 65 H THR 65 -11.120 11.276 11.276 476 HA THR 65 HA THR 65 -11.223 12.272 12.272 477 HB THR 65 HB THR 65 -9.012 12.626 12.626 478 HG1 THR 65 HG1 THR 65 -8.115 10.536 10.536 479 1HG2 THR 65 1HG2 THR 65 -8.864 9.575 9.575 480 2HG2 THR 65 3HG2 THR 65 -7.586 10.740 10.740 481 3HG2 THR 65 2HG2 THR 65 -9.021 10.777 10.777 482 H ASP 66 H ASP 66 -9.514 9.568 9.568 483 HA ASP 66 HA ASP 66 -11.749 7.886 7.886 484 1HB ASP 66 2HB ASP 66 -10.051 6.875 6.875 485 2HB ASP 66 1HB ASP 66 -10.136 8.624 8.624 486 H PHE 67 H PHE 67 -11.000 7.771 7.771 487 HA PHE 67 HA PHE 67 -9.344 5.419 5.419 488 1HB PHE 67 2HB PHE 67 -10.477 7.180 7.180 489 2HB PHE 67 1HB PHE 67 -11.405 5.697 5.697 490 HD1 PHE 67 HD1 PHE 67 -9.978 3.422 3.422 491 HD2 PHE 67 HD2 PHE 67 -8.397 7.344 7.344 492 HE1 PHE 67 HE1 PHE 67 -8.050 2.505 2.505 493 HE2 PHE 67 HE2 PHE 67 -6.456 6.364 6.364 494 HZ PHE 67 HZ PHE 67 -6.275 3.942 3.942 495 HA PRO 68 HA PRO 68 -12.756 2.913 2.913 496 1HB PRO 68 2HB PRO 68 -11.561 0.445 0.445 497 2HB PRO 68 1HB PRO 68 -11.153 1.638 1.638 498 1HG PRO 68 2HG PRO 68 -9.750 1.143 1.143 499 2HG PRO 68 1HG PRO 68 -8.984 1.166 1.166 500 1HD PRO 68 2HD PRO 68 -8.949 3.383 3.383 501 2HD PRO 68 1HD PRO 68 -9.237 3.604 3.604 502 HA PRO 69 HA PRO 69 -14.187 2.144 2.144 503 1HB PRO 69 2HB PRO 69 -16.681 1.293 1.293 504 2HB PRO 69 1HB PRO 69 -16.138 2.793 2.793 505 1HG PRO 69 2HG PRO 69 -16.176 -0.033 -0.033 506 2HG PRO 69 1HG PRO 69 -16.885 1.436 1.436 507 1HD PRO 69 2HD PRO 69 -14.313 0.554 0.554 508 2HD PRO 69 1HD PRO 69 -14.769 2.273 2.273 509 H PHE 70 H PHE 70 -12.369 0.255 0.255 510 HA PHE 70 HA PHE 70 -12.421 -2.393 -2.393 511 1HB PHE 70 2HB PHE 70 -10.732 -0.928 -0.928 512 2HB PHE 70 1HB PHE 70 -11.727 -1.336 -1.336 513 HD1 PHE 70 HD2 PHE 70 -12.140 -3.785 -3.785 514 HD2 PHE 70 HD1 PHE 70 -9.424 -2.597 -2.597 515 HE1 PHE 70 HE2 PHE 70 -11.135 -6.049 -6.049 516 HE2 PHE 70 HE1 PHE 70 -8.458 -4.842 -4.842 517 HZ PHE 70 HZ PHE 70 -9.280 -6.534 -6.534 518 H HIS 71 H HIS 71 -14.440 -3.549 -3.549 519 HA HIS 71 HA HIS 71 -15.710 -3.431 -3.431 520 1HB HIS 71 2HB HIS 71 -17.892 -3.751 -3.751 521 2HB HIS 71 1HB HIS 71 -17.109 -2.239 -2.239 522 HD1 HIS 71 HD1 HIS 71 -18.941 -2.588 -2.588 523 HD2 HIS 71 HD2 HIS 71 -15.554 -4.850 -4.850 524 HE1 HIS 71 HE1 HIS 71 -18.813 -3.318 -3.318 525 H ALA 72 H ALA 72 -14.451 -5.058 -5.058 526 HA ALA 72 HA ALA 72 -13.923 -7.515 -7.515 527 1HB ALA 72 2HB ALA 72 -12.917 -6.808 -6.808 528 2HB ALA 72 1HB ALA 72 -14.507 -7.001 -7.001 529 3HB ALA 72 3HB ALA 72 -13.672 -8.407 -8.407 530 H ASN 73 H ASN 73 -15.909 -7.833 -7.833 531 HA ASN 73 HA ASN 73 -18.141 -8.915 -8.915 532 1HB ASN 73 2HB ASN 73 -17.899 -8.238 -8.238 533 2HB ASN 73 1HB ASN 73 -19.301 -9.062 -9.062 534 1HD2 ASN 73 2HD2 ASN 73 -19.160 -5.094 -5.094 535 2HD2 ASN 73 1HD2 ASN 73 -18.043 -5.917 -5.917 536 H GLY 74 H GLY 74 -16.257 -10.111 -10.111 537 1HA GLY 74 2HA GLY 74 -14.891 -12.051 -12.051 538 2HA GLY 74 1HA GLY 74 -16.492 -12.806 -12.806 539 H THR 75 H THR 75 -14.460 -11.018 -11.018 540 HA THR 75 HA THR 75 -14.382 -13.431 -13.431 541 HB THR 75 HB THR 75 -14.289 -10.918 -10.918 542 HG1 THR 75 HG1 THR 75 -16.436 -11.409 -11.409 543 1HG2 THR 75 3HG2 THR 75 -16.192 -13.241 -13.241 544 2HG2 THR 75 2HG2 THR 75 -16.060 -12.169 -12.169 545 3HG2 THR 75 1HG2 THR 75 -14.728 -13.274 -13.274 546 H GLU 76 H GLU 76 -12.457 -14.060 -14.060 547 HA GLU 76 HA GLU 76 -10.118 -12.751 -12.751 548 1HB GLU 76 2HB GLU 76 -10.282 -15.218 -15.218 549 2HB GLU 76 1HB GLU 76 -10.283 -14.853 -14.853 550 1HG GLU 76 2HG GLU 76 -8.039 -13.726 -13.726 551 2HG GLU 76 1HG GLU 76 -8.093 -14.114 -14.114 552 H LYS 77 H LYS 77 -10.957 -13.330 -13.330 553 HA LYS 77 HA LYS 77 -9.239 -11.624 -11.624 554 1HB LYS 77 2HB LYS 77 -10.809 -11.652 -11.652 555 2HB LYS 77 1HB LYS 77 -10.942 -13.193 -13.193 556 1HG LYS 77 2HG LYS 77 -12.971 -12.402 -12.402 557 2HG LYS 77 1HG LYS 77 -12.880 -10.848 -10.848 558 1HD LYS 77 2HD LYS 77 -12.864 -12.527 -12.527 559 2HD LYS 77 1HD LYS 77 -13.726 -13.533 -13.533 560 1HE LYS 77 2HE LYS 77 -15.324 -12.161 -12.161 561 2HE LYS 77 1HE LYS 77 -15.392 -11.731 -11.731 562 1HZ LYS 77 3HZ LYS 77 -13.378 -10.194 -10.194 563 2HZ LYS 77 2HZ LYS 77 -14.752 -10.045 -10.045 564 3HZ LYS 77 1HZ LYS 77 -14.808 -9.635 -9.635 565 H ALA 78 H ALA 78 -12.269 -10.638 -10.638 566 HA ALA 78 HA ALA 78 -11.917 -7.868 -7.868 567 1HB ALA 78 3HB ALA 78 -13.633 -8.937 -8.937 568 2HB ALA 78 2HB ALA 78 -13.731 -7.324 -7.324 569 3HB ALA 78 1HB ALA 78 -14.189 -8.707 -8.707 570 H LYS 79 H LYS 79 -11.230 -9.648 -9.648 571 HA LYS 79 HA LYS 79 -10.433 -7.509 -7.509 572 1HB LYS 79 2HB LYS 79 -9.586 -10.451 -10.451 573 2HB LYS 79 1HB LYS 79 -9.280 -9.342 -9.342 574 1HG LYS 79 2HG LYS 79 -11.569 -9.133 -9.133 575 2HG LYS 79 1HG LYS 79 -12.135 -9.540 -9.540 576 1HD LYS 79 2HD LYS 79 -12.699 -11.411 -11.411 577 2HD LYS 79 1HD LYS 79 -11.464 -11.936 -11.936 578 1HE LYS 79 2HE LYS 79 -10.928 -12.735 -12.735 579 2HE LYS 79 1HE LYS 79 -9.729 -11.537 -11.537 580 1HZ LYS 79 1HZ LYS 79 -11.978 -10.242 -10.242 581 2HZ LYS 79 3HZ LYS 79 -11.325 -11.486 -11.486 582 3HZ LYS 79 2HZ LYS 79 -10.331 -10.290 -10.290 583 H LEU 80 H LEU 80 -8.691 -9.578 -9.578 584 HA LEU 80 HA LEU 80 -6.151 -8.197 -8.197 585 1HB LEU 80 2HB LEU 80 -6.912 -10.247 -10.247 586 2HB LEU 80 1HB LEU 80 -5.280 -9.768 -9.768 587 HG LEU 80 HG LEU 80 -7.336 -11.178 -11.178 588 1HD1 LEU 80 1HD1 LEU 80 -6.238 -12.641 -12.641 589 2HD1 LEU 80 3HD1 LEU 80 -4.662 -12.104 -12.104 590 3HD1 LEU 80 2HD1 LEU 80 -5.711 -13.042 -13.042 591 1HD2 LEU 80 2HD2 LEU 80 -4.470 -10.337 -10.337 592 2HD2 LEU 80 1HD2 LEU 80 -5.891 -9.617 -9.617 593 3HD2 LEU 80 3HD2 LEU 80 -5.510 -11.285 -11.285 594 H VAL 81 H VAL 81 -8.244 -8.545 -8.545 595 HA VAL 81 HA VAL 81 -6.777 -6.636 -6.636 596 HB VAL 81 HB VAL 81 -9.820 -7.132 -7.132 597 1HG1 VAL 81 3HG1 VAL 81 -8.116 -5.663 -5.663 598 2HG1 VAL 81 2HG1 VAL 81 -9.803 -6.072 -6.072 599 3HG1 VAL 81 1HG1 VAL 81 -9.338 -4.933 -4.933 600 1HG2 VAL 81 3HG2 VAL 81 -7.640 -8.269 -8.269 601 2HG2 VAL 81 2HG2 VAL 81 -8.614 -9.144 -9.144 602 3HG2 VAL 81 1HG2 VAL 81 -9.365 -8.469 -8.469 603 H GLU 82 H GLU 82 -9.496 -5.952 -5.952 604 HA GLU 82 HA GLU 82 -9.439 -3.176 -3.176 605 1HB GLU 82 2HB GLU 82 -11.327 -4.533 -4.533 606 2HB GLU 82 1HB GLU 82 -10.428 -4.344 -4.344 607 1HG GLU 82 2HG GLU 82 -10.909 -2.040 -2.040 608 2HG GLU 82 1HG GLU 82 -10.849 -1.837 -1.837 609 H LEU 83 H LEU 83 -7.784 -5.177 -5.177 610 HA LEU 83 HA LEU 83 -6.531 -3.085 -3.085 611 1HB LEU 83 2HB LEU 83 -6.472 -5.371 -5.371 612 2HB LEU 83 1HB LEU 83 -5.894 -6.006 -6.006 613 HG LEU 83 HG LEU 83 -4.229 -6.162 -6.162 614 1HD1 LEU 83 3HD1 LEU 83 -3.464 -5.997 -5.997 615 2HD1 LEU 83 2HD1 LEU 83 -3.210 -4.267 -4.267 616 3HD1 LEU 83 1HD1 LEU 83 -2.322 -5.400 -5.400 617 1HD2 LEU 83 2HD2 LEU 83 -4.389 -3.127 -3.127 618 2HD2 LEU 83 1HD2 LEU 83 -4.842 -4.195 -4.195 619 3HD2 LEU 83 3HD2 LEU 83 -3.168 -4.046 -4.046 620 H TYR 84 H TYR 84 -5.304 -5.101 -5.101 621 HA TYR 84 HA TYR 84 -3.106 -4.002 -4.002 622 1HB TYR 84 2HB TYR 84 -4.268 -6.061 -6.061 623 2HB TYR 84 1HB TYR 84 -5.260 -5.041 -5.041 624 HD1 TYR 84 HD1 TYR 84 -4.051 -3.269 -3.269 625 HD2 TYR 84 HD2 TYR 84 -2.116 -6.551 -6.551 626 HE1 TYR 84 HE1 TYR 84 -2.271 -2.979 -2.979 627 HE2 TYR 84 HE2 TYR 84 -0.306 -6.320 -6.320 628 HH TYR 84 HH TYR 84 -0.231 -4.946 -4.946 629 H ARG 85 H ARG 85 -5.840 -3.396 -3.396 630 HA ARG 85 HA ARG 85 -5.142 -1.129 -1.129 631 1HB ARG 85 2HB ARG 85 -7.417 -2.112 -2.112 632 2HB ARG 85 1HB ARG 85 -7.869 -1.562 -1.562 633 1HG ARG 85 2HG ARG 85 -7.330 0.863 0.863 634 2HG ARG 85 1HG ARG 85 -7.166 0.161 0.161 635 1HD ARG 85 2HD ARG 85 -9.450 -0.465 -0.465 636 2HD ARG 85 1HD ARG 85 -9.681 -0.240 -0.240 637 HE ARG 85 HE ARG 85 -9.332 2.186 2.186 638 1HH1 ARG 85 2HH1 ARG 85 -9.931 0.387 0.387 639 2HH1 ARG 85 1HH1 ARG 85 -10.630 1.702 1.702 640 1HH2 ARG 85 1HH2 ARG 85 -10.046 3.959 3.959 641 2HH2 ARG 85 2HH2 ARG 85 -10.626 3.831 3.831 642 H MET 86 H MET 86 -6.768 -1.056 -1.056 643 HA MET 86 HA MET 86 -6.606 1.621 1.621 644 1HB MET 86 2HB MET 86 -7.897 0.212 0.212 645 2HB MET 86 1HB MET 86 -6.535 -0.789 -0.789 646 1HG MET 86 2HG MET 86 -6.803 2.089 2.089 647 2HG MET 86 1HG MET 86 -7.336 0.751 0.751 648 1HE MET 86 1HE MET 86 -6.190 0.413 0.413 649 2HE MET 86 3HE MET 86 -5.671 -1.030 -1.030 650 3HE MET 86 2HE MET 86 -4.522 -0.119 -0.119 651 H VAL 87 H VAL 87 -4.113 -0.721 -0.721 652 HA VAL 87 HA VAL 87 -2.276 1.115 1.115 653 HB VAL 87 HB VAL 87 -2.481 -1.752 -1.752 654 1HG1 VAL 87 2HG1 VAL 87 0.003 -0.463 -0.463 655 2HG1 VAL 87 1HG1 VAL 87 -0.206 -2.210 -2.210 656 3HG1 VAL 87 3HG1 VAL 87 -0.018 -1.231 -1.231 657 1HG2 VAL 87 2HG2 VAL 87 -2.237 -0.369 -0.369 658 2HG2 VAL 87 1HG2 VAL 87 -3.660 -1.117 -1.117 659 3HG2 VAL 87 3HG2 VAL 87 -2.311 -2.121 -2.121 660 H ALA 88 H ALA 88 -2.983 -0.020 -0.020 661 HA ALA 88 HA ALA 88 -0.355 0.501 0.501 662 1HB ALA 88 3HB ALA 88 -1.952 -1.289 -1.289 663 2HB ALA 88 2HB ALA 88 -3.103 -0.085 -0.085 664 3HB ALA 88 1HB ALA 88 -1.553 -0.228 -0.228 665 H TYR 89 H TYR 89 -3.533 1.993 1.993 666 HA TYR 89 HA TYR 89 -2.548 4.323 4.323 667 1HB TYR 89 2HB TYR 89 -4.819 5.080 5.080 668 2HB TYR 89 1HB TYR 89 -5.112 3.387 3.387 669 HD1 TYR 89 HD1 TYR 89 -5.190 2.691 2.691 670 HD2 TYR 89 HD2 TYR 89 -5.598 6.689 6.689 671 HE1 TYR 89 HE1 TYR 89 -6.209 3.291 3.291 672 HE2 TYR 89 HE2 TYR 89 -6.604 7.256 7.256 673 HH TYR 89 HH TYR 89 -6.419 5.362 5.362 674 H LEU 90 H LEU 90 -3.322 3.524 3.524 675 HA LEU 90 HA LEU 90 -2.530 6.071 6.071 676 1HB LEU 90 2HB LEU 90 -3.773 4.360 4.360 677 2HB LEU 90 1HB LEU 90 -2.327 3.387 3.387 678 HG LEU 90 HG LEU 90 -2.113 6.302 6.302 679 1HD1 LEU 90 1HD1 LEU 90 -3.373 4.203 4.203 680 2HD1 LEU 90 3HD1 LEU 90 -2.901 5.840 5.840 681 3HD1 LEU 90 2HD1 LEU 90 -4.205 5.597 5.597 682 1HD2 LEU 90 3HD2 LEU 90 -0.977 3.691 3.691 683 2HD2 LEU 90 2HD2 LEU 90 -0.107 4.900 4.900 684 3HD2 LEU 90 1HD2 LEU 90 -0.642 5.263 5.263 685 H SER 91 H SER 91 -0.612 3.006 3.006 686 HA SER 91 HA SER 91 1.819 3.972 3.972 687 1HB SER 91 2HB SER 91 3.030 2.570 2.570 688 2HB SER 91 1HB SER 91 1.681 1.655 1.655 689 HG SER 91 HG SER 91 2.047 2.437 2.437 690 H ALA 92 H ALA 92 0.565 4.392 4.392 691 HA ALA 92 HA ALA 92 2.553 6.144 6.144 692 1HB ALA 92 2HB ALA 92 0.753 5.098 5.098 693 2HB ALA 92 1HB ALA 92 -0.443 6.133 6.133 694 3HB ALA 92 3HB ALA 92 0.810 6.837 6.837 695 H SER 93 H SER 93 -0.564 7.050 7.050 696 HA SER 93 HA SER 93 -0.265 9.829 9.829 697 1HB SER 93 2HB SER 93 -1.555 8.049 8.049 698 2HB SER 93 1HB SER 93 -1.730 9.813 9.813 699 HG SER 93 HG SER 93 -3.078 9.511 9.511 700 H LEU 94 H LEU 94 0.673 7.666 7.666 701 HA LEU 94 HA LEU 94 1.964 9.447 9.447 702 1HB LEU 94 2HB LEU 94 1.567 6.549 6.549 703 2HB LEU 94 1HB LEU 94 3.204 6.890 6.890 704 HG LEU 94 HG LEU 94 2.378 8.284 8.284 705 1HD1 LEU 94 1HD1 LEU 94 -0.378 7.197 7.197 706 2HD1 LEU 94 3HD1 LEU 94 -0.007 8.014 8.014 707 3HD1 LEU 94 2HD1 LEU 94 0.110 8.871 8.871 708 1HD2 LEU 94 1HD2 LEU 94 1.486 5.365 5.365 709 2HD2 LEU 94 3HD2 LEU 94 3.079 5.955 5.955 710 3HD2 LEU 94 2HD2 LEU 94 1.708 6.340 6.340 711 H THR 95 H THR 95 3.074 7.675 7.675 712 HA THR 95 HA THR 95 5.875 8.283 8.283 713 HB THR 95 HB THR 95 4.426 7.613 7.613 714 HG1 THR 95 HG1 THR 95 4.360 5.958 5.958 715 1HG2 THR 95 3HG2 THR 95 7.391 7.610 7.610 716 2HG2 THR 95 2HG2 THR 95 6.835 7.168 7.168 717 3HG2 THR 95 1HG2 THR 95 6.729 8.826 8.826 718 H ASN 96 H ASN 96 3.461 9.745 9.745 719 HA ASN 96 HA ASN 96 4.870 11.889 11.889 720 1HB ASN 96 2HB ASN 96 2.035 11.948 11.948 721 2HB ASN 96 1HB ASN 96 2.733 13.326 13.326 722 1HD2 ASN 96 2HD2 ASN 96 1.062 10.662 10.662 723 2HD2 ASN 96 1HD2 ASN 96 0.637 10.932 10.932 724 H ILE 97 H ILE 97 3.069 12.022 12.022 725 HA ILE 97 HA ILE 97 3.683 14.390 14.390 726 HB ILE 97 HB ILE 97 3.654 11.622 11.622 727 1HG1 ILE 97 2HG1 ILE 97 1.482 12.413 12.413 728 2HG1 ILE 97 1HG1 ILE 97 1.437 12.198 12.198 729 1HG2 ILE 97 3HG2 ILE 97 3.739 14.284 14.284 730 2HG2 ILE 97 2HG2 ILE 97 3.436 12.728 12.728 731 3HG2 ILE 97 1HG2 ILE 97 4.996 13.066 13.066 732 1HD1 ILE 97 3HD1 ILE 97 1.713 14.669 14.669 733 2HD1 ILE 97 2HD1 ILE 97 1.752 14.886 14.886 734 3HD1 ILE 97 1HD1 ILE 97 0.314 14.276 14.276 735 H THR 98 H THR 98 5.759 11.559 11.559 736 HA THR 98 HA THR 98 7.850 12.692 12.692 737 HB THR 98 HB THR 98 7.785 10.459 10.459 738 HG1 THR 98 HG1 THR 98 7.490 9.745 9.745 739 1HG2 THR 98 1HG2 THR 98 10.400 11.437 11.437 740 2HG2 THR 98 3HG2 THR 98 10.209 10.003 10.003 741 3HG2 THR 98 2HG2 THR 98 10.082 11.588 11.588 742 H ARG 99 H ARG 99 8.005 12.494 12.494 743 HA ARG 99 HA ARG 99 10.207 14.179 14.179 744 1HB ARG 99 2HB ARG 99 7.727 14.085 14.085 745 2HB ARG 99 1HB ARG 99 9.283 14.726 14.726 746 1HG ARG 99 2HG ARG 99 10.284 12.397 12.397 747 2HG ARG 99 1HG ARG 99 8.633 11.831 11.831 748 1HD ARG 99 2HD ARG 99 10.010 12.976 12.976 749 2HD ARG 99 1HD ARG 99 9.363 11.365 11.365 750 HE ARG 99 HE ARG 99 7.112 12.300 12.300 751 1HH1 ARG 99 2HH1 ARG 99 9.511 14.382 14.382 752 2HH1 ARG 99 1HH1 ARG 99 8.382 15.375 15.375 753 1HH2 ARG 99 1HH2 ARG 99 5.613 13.529 13.529 754 2HH2 ARG 99 2HH2 ARG 99 6.080 14.860 14.860 755 H ASP 100 H ASP 100 6.913 15.120 15.120 756 HA ASP 100 HA ASP 100 7.466 17.960 17.960 757 1HB ASP 100 2HB ASP 100 5.136 16.356 16.356 758 2HB ASP 100 1HB ASP 100 5.066 17.246 17.246 759 H GLN 101 H GLN 101 7.392 15.765 15.765 760 HA GLN 101 HA GLN 101 7.667 17.990 17.990 761 1HB GLN 101 2HB GLN 101 7.536 14.967 14.967 762 2HB GLN 101 1HB GLN 101 7.789 15.961 15.961 763 1HG GLN 101 2HG GLN 101 5.437 16.203 16.203 764 2HG GLN 101 1HG GLN 101 5.339 15.481 15.481 765 1HE2 GLN 101 2HE2 GLN 101 4.587 19.285 19.285 766 2HE2 GLN 101 1HE2 GLN 101 4.303 18.195 18.195 767 H LYS 102 H LYS 102 9.598 15.313 15.313 768 HA LYS 102 HA LYS 102 11.852 15.871 15.871 769 1HB LYS 102 2HB LYS 102 12.958 14.239 14.239 770 2HB LYS 102 1HB LYS 102 11.274 13.782 13.782 771 1HG LYS 102 2HG LYS 102 11.725 13.606 13.606 772 2HG LYS 102 1HG LYS 102 11.304 15.298 15.298 773 1HD LYS 102 2HD LYS 102 13.420 15.149 15.149 774 2HD LYS 102 1HD LYS 102 13.835 15.779 15.779 775 1HE LYS 102 2HE LYS 102 14.426 13.383 13.383 776 2HE LYS 102 1HE LYS 102 14.116 12.847 12.847 777 1HZ LYS 102 1HZ LYS 102 15.830 15.051 15.051 778 2HZ LYS 102 3HZ LYS 102 16.475 13.938 13.938 779 3HZ LYS 102 2HZ LYS 102 16.135 13.464 13.464 780 H VAL 103 H VAL 103 10.542 17.423 17.423 781 HA VAL 103 HA VAL 103 12.976 19.130 19.130 782 HB VAL 103 HB VAL 103 10.518 18.885 18.885 783 1HG1 VAL 103 2HG1 VAL 103 13.156 20.393 20.393 784 2HG1 VAL 103 1HG1 VAL 103 11.868 20.288 20.288 785 3HG1 VAL 103 3HG1 VAL 103 11.610 21.154 21.154 786 1HG2 VAL 103 1HG2 VAL 103 13.373 17.861 17.861 787 2HG2 VAL 103 3HG2 VAL 103 11.955 16.882 16.882 788 3HG2 VAL 103 2HG2 VAL 103 12.068 17.736 17.736 789 H LEU 104 H LEU 104 9.525 19.197 19.197 790 HA LEU 104 HA LEU 104 9.404 22.060 22.060 791 1HB LEU 104 2HB LEU 104 7.331 20.724 20.724 792 2HB LEU 104 1HB LEU 104 7.721 20.024 20.024 793 HG LEU 104 HG LEU 104 7.621 22.528 22.528 794 1HD1 LEU 104 2HD1 LEU 104 7.660 23.571 23.571 795 2HD1 LEU 104 1HD1 LEU 104 6.128 22.803 22.803 796 3HD1 LEU 104 3HD1 LEU 104 6.215 24.012 24.012 797 1HD2 LEU 104 2HD2 LEU 104 5.112 21.112 21.112 798 2HD2 LEU 104 1HD2 LEU 104 5.945 20.803 20.803 799 3HD2 LEU 104 3HD2 LEU 104 5.170 22.350 22.350 800 H ASN 105 H ASN 105 10.153 19.739 19.739 801 HA ASN 105 HA ASN 105 11.198 22.176 22.176 802 1HB ASN 105 2HB ASN 105 8.926 22.143 22.143 803 2HB ASN 105 1HB ASN 105 8.935 20.467 20.467 804 1HD2 ASN 105 2HD2 ASN 105 9.711 23.005 23.005 805 2HD2 ASN 105 1HD2 ASN 105 9.133 23.533 23.533 806 HA PRO 106 HA PRO 106 14.721 20.132 20.132 807 1HB PRO 106 2HB PRO 106 15.162 21.520 21.520 808 2HB PRO 106 1HB PRO 106 15.550 22.174 22.174 809 1HG PRO 106 2HG PRO 106 12.957 22.532 22.532 810 2HG PRO 106 1HG PRO 106 13.955 23.803 23.803 811 1HD PRO 106 2HD PRO 106 11.828 22.978 22.978 812 2HD PRO 106 1HD PRO 106 13.304 23.066 23.066 813 H SER 107 H SER 107 11.975 20.299 20.299 814 HA SER 107 HA SER 107 12.759 18.053 18.053 815 1HB SER 107 2HB SER 107 10.185 19.723 19.723 816 2HB SER 107 1HB SER 107 10.978 18.854 18.854 817 HG SER 107 HG SER 107 12.320 20.466 20.466 818 H ALA 108 H ALA 108 10.466 19.077 19.077 819 HA ALA 108 HA ALA 108 8.747 16.782 16.782 820 1HB ALA 108 1HB ALA 108 9.693 18.467 18.467 821 2HB ALA 108 3HB ALA 108 8.371 17.323 17.323 822 3HB ALA 108 2HB ALA 108 8.233 18.723 18.723 823 H VAL 109 H VAL 109 12.002 17.381 17.381 824 HA VAL 109 HA VAL 109 12.362 15.225 15.225 825 HB VAL 109 HB VAL 109 14.742 15.140 15.140 826 1HG1 VAL 109 3HG1 VAL 109 14.100 17.181 17.181 827 2HG1 VAL 109 2HG1 VAL 109 13.830 18.020 18.020 828 3HG1 VAL 109 1HG1 VAL 109 15.440 17.499 17.499 829 1HG2 VAL 109 1HG2 VAL 109 13.945 16.604 16.604 830 2HG2 VAL 109 3HG2 VAL 109 14.589 14.984 14.984 831 3HG2 VAL 109 2HG2 VAL 109 15.608 16.351 16.351 832 H SER 110 H SER 110 12.150 15.358 15.358 833 HA SER 110 HA SER 110 12.727 12.576 12.576 834 1HB SER 110 2HB SER 110 12.740 14.646 14.646 835 2HB SER 110 1HB SER 110 10.985 14.454 14.454 836 HG SER 110 HG SER 110 12.775 13.046 13.046 837 H LEU 111 H LEU 111 9.819 14.538 14.538 838 HA LEU 111 HA LEU 111 7.786 12.633 12.633 839 1HB LEU 111 2HB LEU 111 7.153 14.902 14.902 840 2HB LEU 111 1HB LEU 111 7.907 14.932 14.932 841 HG LEU 111 HG LEU 111 5.421 13.326 13.326 842 1HD1 LEU 111 3HD1 LEU 111 5.816 15.959 15.959 843 2HD1 LEU 111 2HD1 LEU 111 4.284 15.086 15.086 844 3HD1 LEU 111 1HD1 LEU 111 4.968 15.723 15.723 845 1HD2 LEU 111 3HD2 LEU 111 6.763 13.937 13.937 846 2HD2 LEU 111 2HD2 LEU 111 6.542 12.331 12.331 847 3HD2 LEU 111 1HD2 LEU 111 5.170 13.248 13.248 848 H HIS 112 H HIS 112 9.260 13.390 13.390 849 HA HIS 112 HA HIS 112 8.046 11.279 11.279 850 1HB HIS 112 2HB HIS 112 9.416 11.882 11.882 851 2HB HIS 112 1HB HIS 112 9.767 13.257 13.257 852 HD1 HIS 112 HD1 HIS 112 11.472 9.799 9.799 853 HD2 HIS 112 HD2 HIS 112 12.263 13.737 13.737 854 HE1 HIS 112 HE1 HIS 112 13.890 10.010 10.010 855 H SER 113 H SER 113 11.255 11.228 11.228 856 HA SER 113 HA SER 113 12.196 8.737 8.737 857 1HB SER 113 2HB SER 113 13.018 10.677 10.677 858 2HB SER 113 1HB SER 113 12.170 9.780 9.780 859 HG SER 113 HG SER 113 14.507 9.218 9.218 860 H LYS 114 H LYS 114 9.995 9.367 9.367 861 HA LYS 114 HA LYS 114 9.623 6.598 6.598 862 1HB LYS 114 2HB LYS 114 8.777 9.012 9.012 863 2HB LYS 114 1HB LYS 114 7.279 8.450 8.450 864 1HG LYS 114 2HG LYS 114 7.302 7.509 7.509 865 2HG LYS 114 1HG LYS 114 7.709 6.179 6.179 866 1HD LYS 114 2HD LYS 114 10.241 6.937 6.937 867 2HD LYS 114 1HD LYS 114 9.601 7.816 7.816 868 1HE LYS 114 2HE LYS 114 9.331 4.807 4.807 869 2HE LYS 114 1HE LYS 114 10.492 5.570 5.570 870 1HZ LYS 114 3HZ LYS 114 7.963 6.533 6.533 871 2HZ LYS 114 2HZ LYS 114 7.835 4.841 4.841 872 3HZ LYS 114 1HZ LYS 114 8.984 5.501 5.501 873 H LEU 115 H LEU 115 7.636 8.788 8.788 874 HA LEU 115 HA LEU 115 5.599 7.076 7.076 875 1HB LEU 115 2HB LEU 115 6.251 9.712 9.712 876 2HB LEU 115 1HB LEU 115 6.830 9.095 9.095 877 HG LEU 115 HG LEU 115 4.524 8.135 8.135 878 1HD1 LEU 115 1HD1 LEU 115 3.804 8.042 8.042 879 2HD1 LEU 115 3HD1 LEU 115 3.827 9.805 9.805 880 3HD1 LEU 115 2HD1 LEU 115 2.668 8.955 8.955 881 1HD2 LEU 115 1HD2 LEU 115 4.694 11.120 11.120 882 2HD2 LEU 115 3HD2 LEU 115 5.190 10.370 10.370 883 3HD2 LEU 115 2HD2 LEU 115 3.495 10.392 10.392 884 H ASN 116 H ASN 116 8.878 7.403 7.403 885 HA ASN 116 HA ASN 116 8.613 5.827 5.827 886 1HB ASN 116 2HB ASN 116 11.019 6.032 6.032 887 2HB ASN 116 1HB ASN 116 11.014 5.347 5.347 888 1HD2 ASN 116 2HD2 ASN 116 9.731 9.043 9.043 889 2HD2 ASN 116 1HD2 ASN 116 8.781 7.718 7.718 890 H ALA 117 H ALA 117 9.351 4.964 4.964 891 HA ALA 117 HA ALA 117 9.767 2.263 2.263 892 1HB ALA 117 2HB ALA 117 8.350 3.088 3.088 893 2HB ALA 117 1HB ALA 117 8.995 1.496 1.496 894 3HB ALA 117 3HB ALA 117 10.097 2.849 2.849 895 H THR 118 H THR 118 6.780 3.717 3.717 896 HA THR 118 HA THR 118 4.987 1.630 1.630 897 HB THR 118 HB THR 118 3.332 3.787 3.787 898 HG1 THR 118 HG1 THR 118 5.444 4.849 4.849 899 1HG2 THR 118 2HG2 THR 118 4.713 3.767 3.767 900 2HG2 THR 118 1HG2 THR 118 3.167 4.490 4.490 901 3HG2 THR 118 3HG2 THR 118 3.326 2.744 2.744 902 H ILE 119 H ILE 119 5.896 3.898 3.898 903 HA ILE 119 HA ILE 119 4.258 2.727 2.727 904 HB ILE 119 HB ILE 119 6.931 4.190 4.190 905 1HG1 ILE 119 2HG1 ILE 119 4.197 5.335 5.335 906 2HG1 ILE 119 1HG1 ILE 119 4.757 5.308 5.308 907 1HG2 ILE 119 3HG2 ILE 119 6.387 2.971 2.971 908 2HG2 ILE 119 2HG2 ILE 119 4.820 3.746 3.746 909 3HG2 ILE 119 1HG2 ILE 119 6.275 4.707 4.707 910 1HD1 ILE 119 3HD1 ILE 119 6.207 6.593 6.593 911 2HD1 ILE 119 2HD1 ILE 119 5.347 7.463 7.463 912 3HD1 ILE 119 1HD1 ILE 119 6.791 6.574 6.574 913 H ASP 120 H ASP 120 7.670 2.078 2.078 914 HA ASP 120 HA ASP 120 7.796 0.124 0.124 915 1HB ASP 120 2HB ASP 120 9.805 1.238 1.238 916 2HB ASP 120 1HB ASP 120 9.544 0.071 0.071 917 H VAL 121 H VAL 121 7.516 -0.366 -0.366 918 HA VAL 121 HA VAL 121 7.261 -3.181 -3.181 919 HB VAL 121 HB VAL 121 6.330 -2.762 -2.762 920 1HG1 VAL 121 3HG1 VAL 121 8.381 -0.691 -0.691 921 2HG1 VAL 121 2HG1 VAL 121 7.968 -1.253 -1.253 922 3HG1 VAL 121 1HG1 VAL 121 8.659 -2.359 -2.359 923 1HG2 VAL 121 3HG2 VAL 121 4.602 -1.205 -1.205 924 2HG2 VAL 121 2HG2 VAL 121 5.520 -0.601 -0.601 925 3HG2 VAL 121 1HG2 VAL 121 5.820 0.008 0.008 926 H MET 122 H MET 122 5.023 -0.726 -0.726 927 HA MET 122 HA MET 122 2.664 -2.422 -2.422 928 1HB MET 122 2HB MET 122 3.377 0.384 0.384 929 2HB MET 122 1HB MET 122 2.090 -0.416 -0.416 930 1HG MET 122 2HG MET 122 0.978 -0.828 -0.828 931 2HG MET 122 1HG MET 122 2.277 0.097 0.097 932 1HE MET 122 1HE MET 122 0.193 0.931 0.931 933 2HE MET 122 3HE MET 122 -0.219 2.574 2.574 934 3HE MET 122 2HE MET 122 -1.251 1.253 1.253 935 H ARG 123 H ARG 123 4.958 -1.022 -1.022 936 HA ARG 123 HA ARG 123 3.997 -2.280 -2.280 937 1HB ARG 123 2HB ARG 123 6.925 -2.123 -2.123 938 2HB ARG 123 1HB ARG 123 6.410 -2.565 -2.565 939 1HG ARG 123 2HG ARG 123 5.221 -0.334 -0.334 940 2HG ARG 123 1HG ARG 123 5.902 0.093 0.093 941 1HD ARG 123 2HD ARG 123 8.242 -0.463 -0.463 942 2HD ARG 123 1HD ARG 123 7.381 -0.472 -0.472 943 HE ARG 123 HE ARG 123 6.755 1.821 1.821 944 1HH1 ARG 123 2HH1 ARG 123 8.951 0.572 0.572 945 2HH1 ARG 123 1HH1 ARG 123 9.483 2.092 2.092 946 1HH2 ARG 123 1HH2 ARG 123 7.443 3.917 3.917 947 2HH2 ARG 123 2HH2 ARG 123 8.610 4.023 4.023 948 H GLY 124 H GLY 124 6.091 -3.732 -3.732 949 1HA GLY 124 2HA GLY 124 6.352 -6.340 -6.340 950 2HA GLY 124 1HA GLY 124 6.385 -6.017 -6.017 951 H LEU 125 H LEU 125 3.992 -5.169 -5.169 952 HA LEU 125 HA LEU 125 2.288 -7.362 -7.362 953 1HB LEU 125 2HB LEU 125 2.222 -4.849 -4.849 954 2HB LEU 125 1HB LEU 125 1.276 -4.512 -4.512 955 HG LEU 125 HG LEU 125 -0.347 -6.313 -6.313 956 1HD1 LEU 125 1HD1 LEU 125 1.226 -7.467 -7.467 957 2HD1 LEU 125 3HD1 LEU 125 1.169 -6.026 -6.026 958 3HD1 LEU 125 2HD1 LEU 125 -0.274 -6.961 -6.961 959 1HD2 LEU 125 1HD2 LEU 125 0.147 -3.954 -3.954 960 2HD2 LEU 125 3HD2 LEU 125 -0.723 -3.865 -3.865 961 3HD2 LEU 125 2HD2 LEU 125 -1.347 -4.852 -4.852 962 H LEU 126 H LEU 126 1.923 -4.821 -4.821 963 HA LEU 126 HA LEU 126 -0.081 -6.052 -6.052 964 1HB LEU 126 2HB LEU 126 2.230 -4.259 -4.259 965 2HB LEU 126 1HB LEU 126 0.887 -4.562 -4.562 966 HG LEU 126 HG LEU 126 1.099 -2.894 -2.894 967 1HD1 LEU 126 1HD1 LEU 126 0.475 -1.872 -1.872 968 2HD1 LEU 126 3HD1 LEU 126 -0.941 -2.925 -2.925 969 3HD1 LEU 126 2HD1 LEU 126 -0.807 -1.661 -1.661 970 1HD2 LEU 126 3HD2 LEU 126 -1.396 -4.356 -4.356 971 2HD2 LEU 126 2HD2 LEU 126 -0.558 -4.509 -4.509 972 3HD2 LEU 126 1HD2 LEU 126 -1.348 -3.010 -3.010 973 H SER 127 H SER 127 3.345 -6.218 -6.218 974 HA SER 127 HA SER 127 3.516 -7.948 -7.948 975 1HB SER 127 2HB SER 127 5.443 -6.799 -6.799 976 2HB SER 127 1HB SER 127 5.328 -8.180 -8.180 977 HG SER 127 HG SER 127 6.320 -9.334 -9.334 978 H ASN 128 H ASN 128 3.225 -8.735 -8.735 979 HA ASN 128 HA ASN 128 2.999 -11.596 -11.596 980 1HB ASN 128 2HB ASN 128 2.126 -9.844 -9.844 981 2HB ASN 128 1HB ASN 128 2.295 -11.597 -11.597 982 1HD2 ASN 128 2HD2 ASN 128 5.481 -9.599 -9.599 983 2HD2 ASN 128 1HD2 ASN 128 3.885 -9.049 -9.049 984 H VAL 129 H VAL 129 0.582 -8.921 -8.921 985 HA VAL 129 HA VAL 129 -1.596 -10.830 -10.830 986 HB VAL 129 HB VAL 129 -1.336 -7.946 -7.946 987 1HG1 VAL 129 3HG1 VAL 129 -3.832 -9.710 -9.710 988 2HG1 VAL 129 2HG1 VAL 129 -3.937 -7.988 -7.988 989 3HG1 VAL 129 1HG1 VAL 129 -3.078 -8.928 -8.928 990 1HG2 VAL 129 3HG2 VAL 129 -3.092 -9.395 -9.395 991 2HG2 VAL 129 2HG2 VAL 129 -1.619 -8.499 -8.499 992 3HG2 VAL 129 1HG2 VAL 129 -3.045 -7.666 -7.666 993 H LEU 130 H LEU 130 -0.290 -9.045 -9.045 994 HA LEU 130 HA LEU 130 -1.716 -10.420 -10.420 995 1HB LEU 130 2HB LEU 130 0.846 -8.888 -8.888 996 2HB LEU 130 1HB LEU 130 0.797 -10.005 -10.005 997 HG LEU 130 HG LEU 130 -0.147 -7.564 -7.564 998 1HD1 LEU 130 2HD1 LEU 130 -0.423 -9.549 -9.549 999 2HD1 LEU 130 1HD1 LEU 130 -1.812 -10.045 -10.045 1000 3HD1 LEU 130 3HD1 LEU 130 -1.863 -8.552 -8.552 1001 1HD2 LEU 130 3HD2 LEU 130 -1.691 -7.664 -7.664 1002 2HD2 LEU 130 2HD2 LEU 130 -2.506 -7.195 -7.195 1003 3HD2 LEU 130 1HD2 LEU 130 -2.693 -8.793 -8.793 1004 H CYS 131 H CYS 131 1.203 -11.285 -11.285 1005 HA CYS 131 HA CYS 131 1.917 -13.668 -13.668 1006 1HB CYS 131 2HB CYS 131 3.227 -12.663 -12.663 1007 2HB CYS 131 1HB CYS 131 2.030 -13.410 -13.410 1008 H ARG 132 H ARG 132 -0.377 -12.974 -12.974 1009 HA ARG 132 HA ARG 132 -1.377 -15.718 -15.718 1010 1HB ARG 132 2HB ARG 132 -1.400 -14.343 -14.343 1011 2HB ARG 132 1HB ARG 132 -2.245 -13.040 -13.040 1012 1HG ARG 132 2HG ARG 132 -3.794 -14.246 -14.246 1013 2HG ARG 132 1HG ARG 132 -4.265 -14.470 -14.470 1014 1HD ARG 132 2HD ARG 132 -3.111 -16.662 -16.662 1015 2HD ARG 132 1HD ARG 132 -2.635 -16.396 -16.396 1016 HE ARG 132 HE ARG 132 -5.503 -16.086 -16.086 1017 1HH1 ARG 132 2HH1 ARG 132 -2.910 -18.320 -18.320 1018 2HH1 ARG 132 1HH1 ARG 132 -3.872 -19.583 -19.583 1019 1HH2 ARG 132 1HH2 ARG 132 -6.820 -17.629 -17.629 1020 2HH2 ARG 132 2HH2 ARG 132 -6.228 -19.186 -19.186 1021 H LEU 133 H LEU 133 -3.121 -12.693 -12.693 1022 HA LEU 133 HA LEU 133 -4.313 -14.017 -14.017 1023 1HB LEU 133 2HB LEU 133 -6.493 -13.598 -13.598 1024 2HB LEU 133 1HB LEU 133 -5.602 -14.180 -14.180 1025 HG LEU 133 HG LEU 133 -6.952 -12.625 -12.625 1026 1HD1 LEU 133 1HD1 LEU 133 -4.264 -11.282 -11.282 1027 2HD1 LEU 133 3HD1 LEU 133 -5.479 -10.876 -10.876 1028 3HD1 LEU 133 2HD1 LEU 133 -4.715 -12.446 -12.446 1029 1HD2 LEU 133 2HD2 LEU 133 -6.211 -10.589 -10.589 1030 2HD2 LEU 133 1HD2 LEU 133 -7.763 -11.370 -11.370 1031 3HD2 LEU 133 3HD2 LEU 133 -7.132 -10.300 -10.300 1032 H CYS 134 H CYS 134 -4.506 -12.603 -12.603 1033 HA CYS 134 HA CYS 134 -3.779 -9.787 -9.787 1034 1HB CYS 134 2HB CYS 134 -4.544 -11.306 -11.306 1035 2HB CYS 134 1HB CYS 134 -3.561 -9.856 -9.856 1036 H ASN 135 H ASN 135 -6.379 -11.421 -11.421 1037 HA ASN 135 HA ASN 135 -8.316 -9.498 -9.498 1038 1HB ASN 135 2HB ASN 135 -8.146 -9.714 -9.714 1039 2HB ASN 135 1HB ASN 135 -8.868 -11.308 -11.308 1040 1HD2 ASN 135 2HD2 ASN 135 -11.348 -8.300 -8.300 1041 2HD2 ASN 135 1HD2 ASN 135 -9.764 -8.272 -8.272 1042 H LYS 136 H LYS 136 -8.352 -12.875 -12.875 1043 HA LYS 136 HA LYS 136 -9.736 -13.791 -13.791 1044 1HB LYS 136 2HB LYS 136 -10.538 -14.583 -14.583 1045 2HB LYS 136 1HB LYS 136 -11.241 -15.203 -15.203 1046 1HG LYS 136 2HG LYS 136 -11.999 -12.793 -12.793 1047 2HG LYS 136 1HG LYS 136 -11.400 -12.366 -12.366 1048 1HD LYS 136 2HD LYS 136 -13.798 -12.675 -12.675 1049 2HD LYS 136 1HD LYS 136 -12.998 -13.859 -13.859 1050 1HE LYS 136 2HE LYS 136 -13.469 -14.839 -14.839 1051 2HE LYS 136 1HE LYS 136 -14.954 -14.344 -14.344 1052 1HZ LYS 136 2HZ LYS 136 -13.534 -15.879 -15.879 1053 2HZ LYS 136 1HZ LYS 136 -13.478 -16.715 -16.715 1054 3HZ LYS 136 3HZ LYS 136 -14.982 -16.266 -16.266 1055 H TYR 137 H TYR 137 -7.207 -13.887 -13.887 1056 HA TYR 137 HA TYR 137 -5.400 -15.336 -15.336 1057 1HB TYR 137 2HB TYR 137 -7.322 -17.633 -17.633 1058 2HB TYR 137 1HB TYR 137 -5.866 -17.607 -17.607 1059 HD1 TYR 137 HD2 TYR 137 -5.781 -16.119 -16.119 1060 HD2 TYR 137 HD1 TYR 137 -9.419 -16.746 -16.746 1061 HE1 TYR 137 HE2 TYR 137 -7.051 -15.284 -15.284 1062 HE2 TYR 137 HE1 TYR 137 -10.692 -15.916 -15.916 1063 HH TYR 137 HH TYR 137 -9.145 -15.365 -15.365 1064 H ARG 138 H ARG 138 -7.301 -16.427 -16.427 1065 HA ARG 138 HA ARG 138 -4.726 -17.041 -17.041 1066 1HB ARG 138 2HB ARG 138 -7.544 -17.803 -17.803 1067 2HB ARG 138 1HB ARG 138 -6.025 -18.403 -18.403 1068 1HG ARG 138 2HG ARG 138 -5.605 -19.263 -19.263 1069 2HG ARG 138 1HG ARG 138 -7.311 -18.977 -18.977 1070 1HD ARG 138 2HD ARG 138 -6.860 -21.357 -21.357 1071 2HD ARG 138 1HD ARG 138 -7.884 -20.517 -20.517 1072 HE ARG 138 HE ARG 138 -4.930 -20.553 -20.553 1073 1HH1 ARG 138 2HH1 ARG 138 -8.056 -21.558 -21.558 1074 2HH1 ARG 138 1HH1 ARG 138 -7.479 -22.014 -22.014 1075 1HH2 ARG 138 1HH2 ARG 138 -4.154 -21.165 -21.165 1076 2HH2 ARG 138 2HH2 ARG 138 -5.218 -21.786 -21.786 1077 H VAL 139 H VAL 139 -7.804 -15.652 -15.652 1078 HA VAL 139 HA VAL 139 -7.765 -14.567 -14.567 1079 HB VAL 139 HB VAL 139 -8.141 -12.620 -12.620 1080 1HG1 VAL 139 3HG1 VAL 139 -8.442 -11.705 -11.705 1081 2HG1 VAL 139 2HG1 VAL 139 -9.629 -12.949 -12.949 1082 3HG1 VAL 139 1HG1 VAL 139 -9.957 -11.726 -11.726 1083 1HG2 VAL 139 2HG2 VAL 139 -10.055 -14.770 -14.770 1084 2HG2 VAL 139 1HG2 VAL 139 -9.242 -14.716 -14.716 1085 3HG2 VAL 139 3HG2 VAL 139 -10.415 -13.486 -13.486 1086 H GLY 140 H GLY 140 -6.138 -12.802 -12.802 1087 1HA GLY 140 2HA GLY 140 -3.916 -11.816 -11.816 1088 2HA GLY 140 1HA GLY 140 -3.934 -12.121 -12.121 1089 H HIS 141 H HIS 141 -6.612 -10.484 -10.484 1090 HA HIS 141 HA HIS 141 -5.375 -7.857 -7.857 1091 1HB HIS 141 2HB HIS 141 -7.033 -9.105 -9.105 1092 2HB HIS 141 1HB HIS 141 -8.262 -8.575 -8.575 1093 HD1 HIS 141 HD1 HIS 141 -6.933 -7.376 -7.376 1094 HD2 HIS 141 HD2 HIS 141 -7.770 -5.562 -5.562 1095 HE1 HIS 141 HE1 HIS 141 -7.180 -4.945 -4.945 1096 H VAL 142 H VAL 142 -5.059 -7.158 -7.158 1097 HA VAL 142 HA VAL 142 -7.566 -6.825 -6.825 1098 HB VAL 142 HB VAL 142 -5.309 -7.672 -7.672 1099 1HG1 VAL 142 1HG1 VAL 142 -4.379 -4.810 -4.810 1100 2HG1 VAL 142 3HG1 VAL 142 -3.627 -5.978 -5.978 1101 3HG1 VAL 142 2HG1 VAL 142 -3.689 -6.288 -6.288 1102 1HG2 VAL 142 1HG2 VAL 142 -7.076 -6.963 -6.963 1103 2HG2 VAL 142 3HG2 VAL 142 -5.550 -6.470 -6.470 1104 3HG2 VAL 142 2HG2 VAL 142 -6.600 -5.281 -5.281 1105 H ASP 143 H ASP 143 -6.561 -4.277 -4.277 1106 HA ASP 143 HA ASP 143 -6.323 -2.473 -2.473 1107 1HB ASP 143 2HB ASP 143 -8.400 -1.241 -1.241 1108 2HB ASP 143 1HB ASP 143 -8.824 -2.933 -2.933 1109 H VAL 144 H VAL 144 -5.461 -0.724 -0.724 1110 HA VAL 144 HA VAL 144 -5.072 0.186 0.186 1111 HB VAL 144 HB VAL 144 -2.621 0.625 0.625 1112 1HG1 VAL 144 1HG1 VAL 144 -3.415 -1.374 -1.374 1113 2HG1 VAL 144 3HG1 VAL 144 -3.580 -2.270 -2.270 1114 3HG1 VAL 144 2HG1 VAL 144 -1.989 -1.752 -1.752 1115 1HG2 VAL 144 3HG2 VAL 144 -3.212 -1.112 -1.112 1116 2HG2 VAL 144 2HG2 VAL 144 -2.780 0.597 0.597 1117 3HG2 VAL 144 1HG2 VAL 144 -1.624 -0.591 -0.591 1118 HA PRO 145 HA PRO 145 -5.720 3.822 3.822 1119 1HB PRO 145 2HB PRO 145 -8.290 4.480 4.480 1120 2HB PRO 145 1HB PRO 145 -7.855 3.149 3.149 1121 1HG PRO 145 2HG PRO 145 -8.594 2.988 2.988 1122 2HG PRO 145 1HG PRO 145 -9.349 2.103 2.103 1123 1HD PRO 145 2HD PRO 145 -7.357 0.954 0.954 1124 2HD PRO 145 1HD PRO 145 -7.481 0.651 0.651 1125 HA PRO 146 HA PRO 146 -5.307 6.261 6.261 1126 1HB PRO 146 2HB PRO 146 -3.294 7.865 7.865 1127 2HB PRO 146 1HB PRO 146 -2.984 6.140 6.140 1128 1HG PRO 146 2HG PRO 146 -3.424 7.627 7.627 1129 2HG PRO 146 1HG PRO 146 -2.198 6.409 6.409 1130 1HD PRO 146 2HD PRO 146 -4.665 5.848 5.848 1131 2HD PRO 146 1HD PRO 146 -3.686 4.629 4.629 1132 H VAL 147 H VAL 147 -6.993 7.542 7.542 1133 HA VAL 147 HA VAL 147 -7.496 9.833 9.833 1134 HB VAL 147 HB VAL 147 -9.496 8.148 8.148 1135 1HG1 VAL 147 1HG1 VAL 147 -9.976 10.254 10.254 1136 2HG1 VAL 147 3HG1 VAL 147 -11.221 9.277 9.277 1137 3HG1 VAL 147 2HG1 VAL 147 -10.326 10.436 10.436 1138 1HG2 VAL 147 1HG2 VAL 147 -8.816 8.033 8.033 1139 2HG2 VAL 147 3HG2 VAL 147 -8.472 6.784 6.784 1140 3HG2 VAL 147 2HG2 VAL 147 -10.133 7.155 7.155 1141 HA PRO 148 HA PRO 148 -6.552 11.266 11.266 1142 1HB PRO 148 2HB PRO 148 -4.586 13.063 13.063 1143 2HB PRO 148 1HB PRO 148 -4.239 11.334 11.334 1144 1HG PRO 148 2HG PRO 148 -4.973 12.884 12.884 1145 2HG PRO 148 1HG PRO 148 -3.522 11.908 11.908 1146 1HD PRO 148 2HD PRO 148 -5.634 10.768 10.768 1147 2HD PRO 148 1HD PRO 148 -4.812 9.843 9.843 1148 H ASP 149 H ASP 149 -8.755 11.979 11.979 1149 HA ASP 149 HA ASP 149 -9.136 14.637 14.637 1150 1HB ASP 149 2HB ASP 149 -10.796 12.278 12.278 1151 2HB ASP 149 1HB ASP 149 -11.576 13.710 13.710 1152 H HIS 150 H HIS 150 -7.601 15.303 15.303 1153 HA HIS 150 HA HIS 150 -8.843 16.057 16.057 1154 1HB HIS 150 2HB HIS 150 -5.946 16.465 16.465 1155 2HB HIS 150 1HB HIS 150 -6.601 16.616 16.616 1156 HD1 HIS 150 HD1 HIS 150 -6.386 14.544 14.544 1157 HD2 HIS 150 HD2 HIS 150 -5.910 13.754 13.754 1158 HE1 HIS 150 HE1 HIS 150 -5.653 12.174 12.174 1159 H SER 151 H SER 151 -9.412 17.410 17.410 1160 HA SER 151 HA SER 151 -8.068 20.049 20.049 1161 1HB SER 151 2HB SER 151 -8.521 18.965 18.965 1162 2HB SER 151 1HB SER 151 -10.250 19.082 19.082 1163 HG SER 151 HG SER 151 -10.037 21.263 21.263 1164 H ASP 152 H ASP 152 -9.327 19.497 19.497 1165 HA ASP 152 HA ASP 152 -11.890 21.064 21.064 1166 1HB ASP 152 2HB ASP 152 -12.368 18.874 18.874 1167 2HB ASP 152 1HB ASP 152 -10.922 18.785 18.785 1168 H LYS 153 H LYS 153 -8.826 20.622 20.622 1169 HA LYS 153 HA LYS 153 -9.113 23.314 23.314 1170 1HB LYS 153 2HB LYS 153 -7.643 20.869 20.869 1171 2HB LYS 153 1HB LYS 153 -7.813 22.373 22.373 1172 1HG LYS 153 2HG LYS 153 -10.209 20.710 20.710 1173 2HG LYS 153 1HG LYS 153 -9.501 20.608 20.608 1174 1HD LYS 153 2HD LYS 153 -9.900 23.019 23.019 1175 2HD LYS 153 1HD LYS 153 -10.557 23.246 23.246 1176 1HE LYS 153 2HE LYS 153 -11.785 21.141 21.141 1177 2HE LYS 153 1HE LYS 153 -12.182 22.827 22.827 1178 1HZ LYS 153 3HZ LYS 153 -12.447 22.267 22.267 1179 2HZ LYS 153 2HZ LYS 153 -13.149 21.049 21.049 1180 3HZ LYS 153 1HZ LYS 153 -13.696 22.602 22.602 1181 H GLU 154 H GLU 154 -7.400 24.632 24.632 1182 HA GLU 154 HA GLU 154 -5.601 23.799 23.799 1183 1HB GLU 154 2HB GLU 154 -5.797 26.453 26.453 1184 2HB GLU 154 1HB GLU 154 -5.003 26.218 26.218 1185 1HG GLU 154 2HG GLU 154 -7.165 25.805 25.805 1186 2HG GLU 154 1HG GLU 154 -8.000 25.752 25.752 1187 H VAL 155 H VAL 155 -4.336 25.900 25.900 1188 HA VAL 155 HA VAL 155 -1.710 25.181 25.181 1189 HB VAL 155 HB VAL 155 -1.837 26.258 26.258 1190 1HG1 VAL 155 2HG1 VAL 155 -1.484 27.634 27.634 1191 2HG1 VAL 155 1HG1 VAL 155 -3.224 27.749 27.749 1192 3HG1 VAL 155 3HG1 VAL 155 -2.449 28.494 28.494 1193 1HG2 VAL 155 1HG2 VAL 155 -4.792 26.508 26.508 1194 2HG2 VAL 155 3HG2 VAL 155 -4.129 25.510 25.510 1195 3HG2 VAL 155 2HG2 VAL 155 -3.984 27.239 27.239 1196 H PHE 156 H PHE 156 -4.373 24.000 24.000 1197 HA PHE 156 HA PHE 156 -3.135 22.158 22.158 1198 1HB PHE 156 2HB PHE 156 -5.865 21.711 21.711 1199 2HB PHE 156 1HB PHE 156 -5.347 21.251 21.251 1200 HD1 PHE 156 HD1 PHE 156 -6.307 24.255 24.255 1201 HD2 PHE 156 HD2 PHE 156 -5.764 22.595 22.595 1202 HE1 PHE 156 HE1 PHE 156 -7.423 26.187 26.187 1203 HE2 PHE 156 HE2 PHE 156 -6.893 24.525 24.525 1204 HZ PHE 156 HZ PHE 156 -7.725 26.314 26.314 1205 H GLN 157 H GLN 157 -4.959 21.454 21.454 1206 HA GLN 157 HA GLN 157 -4.487 18.858 18.858 1207 1HB GLN 157 2HB GLN 157 -5.608 19.970 19.970 1208 2HB GLN 157 1HB GLN 157 -4.379 21.191 21.191 1209 1HG GLN 157 2HG GLN 157 -2.938 19.214 19.214 1210 2HG GLN 157 1HG GLN 157 -4.437 18.286 18.286 1211 1HE2 GLN 157 2HE2 GLN 157 -5.424 19.784 19.784 1212 2HE2 GLN 157 1HE2 GLN 157 -5.458 18.394 18.394 1213 H LYS 158 H LYS 158 -2.205 21.320 21.320 1214 HA LYS 158 HA LYS 158 -0.234 19.415 19.415 1215 1HB LYS 158 2HB LYS 158 -0.235 21.956 21.956 1216 2HB LYS 158 1HB LYS 158 0.495 22.139 22.139 1217 1HG LYS 158 2HG LYS 158 2.480 20.874 20.874 1218 2HG LYS 158 1HG LYS 158 1.700 20.262 20.262 1219 1HD LYS 158 2HD LYS 158 1.640 22.665 22.665 1220 2HD LYS 158 1HD LYS 158 2.487 23.156 23.156 1221 1HE LYS 158 2HE LYS 158 4.074 22.858 22.858 1222 2HE LYS 158 1HE LYS 158 4.412 21.771 21.771 1223 1HZ LYS 158 1HZ LYS 158 2.671 20.384 20.384 1224 2HZ LYS 158 3HZ LYS 158 3.900 21.082 21.082 1225 3HZ LYS 158 2HZ LYS 158 4.259 20.091 20.091 1226 H LYS 159 H LYS 159 -0.936 20.214 20.214 1227 HA LYS 159 HA LYS 159 1.525 19.013 19.013 1228 1HB LYS 159 2HB LYS 159 -0.765 20.568 20.568 1229 2HB LYS 159 1HB LYS 159 0.596 19.936 19.936 1230 1HG LYS 159 2HG LYS 159 2.142 21.367 21.367 1231 2HG LYS 159 1HG LYS 159 0.884 21.883 21.883 1232 1HD LYS 159 2HD LYS 159 -0.366 22.794 22.794 1233 2HD LYS 159 1HD LYS 159 1.092 22.420 22.420 1234 1HE LYS 159 2HE LYS 159 1.041 24.809 24.809 1235 2HE LYS 159 1HE LYS 159 2.418 23.972 23.972 1236 1HZ LYS 159 3HZ LYS 159 0.235 23.674 23.674 1237 2HZ LYS 159 2HZ LYS 159 0.318 25.305 25.305 1238 3HZ LYS 159 1HZ LYS 159 1.672 24.555 24.555 1239 H LYS 160 H LYS 160 -1.928 18.947 18.947 1240 HA LYS 160 HA LYS 160 -1.959 16.465 16.465 1241 1HB LYS 160 2HB LYS 160 -4.397 16.844 16.844 1242 2HB LYS 160 1HB LYS 160 -3.698 18.470 18.470 1243 1HG LYS 160 2HG LYS 160 -3.858 18.658 18.658 1244 2HG LYS 160 1HG LYS 160 -4.698 17.148 17.148 1245 1HD LYS 160 2HD LYS 160 -5.723 19.353 19.353 1246 2HD LYS 160 1HD LYS 160 -6.175 19.241 19.241 1247 1HE LYS 160 2HE LYS 160 -7.074 17.083 17.083 1248 2HE LYS 160 1HE LYS 160 -6.375 16.885 16.885 1249 1HZ LYS 160 3HZ LYS 160 -8.018 19.196 19.196 1250 2HZ LYS 160 2HZ LYS 160 -8.834 17.851 17.851 1251 3HZ LYS 160 1HZ LYS 160 -8.142 17.689 17.689 1252 H LEU 161 H LEU 161 -1.856 17.002 17.002 1253 HA LEU 161 HA LEU 161 -3.444 15.241 15.241 1254 1HB LEU 161 2HB LEU 161 -0.545 15.873 15.873 1255 2HB LEU 161 1HB LEU 161 -0.979 14.324 14.324 1256 HG LEU 161 HG LEU 161 -2.486 16.890 16.890 1257 1HD1 LEU 161 1HD1 LEU 161 -0.032 17.079 17.079 1258 2HD1 LEU 161 3HD1 LEU 161 -0.140 15.563 15.563 1259 3HD1 LEU 161 2HD1 LEU 161 -1.047 16.960 16.960 1260 1HD2 LEU 161 3HD2 LEU 161 -3.615 14.718 14.718 1261 2HD2 LEU 161 2HD2 LEU 161 -3.190 15.585 15.585 1262 3HD2 LEU 161 1HD2 LEU 161 -2.225 14.216 14.216 1263 H GLY 162 H GLY 162 -0.989 14.300 14.300 1264 1HA GLY 162 2HA GLY 162 -1.662 11.430 11.430 1265 2HA GLY 162 1HA GLY 162 -0.320 12.110 12.110 1266 H CYS 163 H CYS 163 -1.578 14.017 14.017 1267 HA CYS 163 HA CYS 163 -2.595 12.726 12.726 1268 1HB CYS 163 2HB CYS 163 -1.807 15.216 15.216 1269 2HB CYS 163 1HB CYS 163 -3.519 15.462 15.462 1270 H GLN 164 H GLN 164 -4.503 14.379 14.379 1271 HA GLN 164 HA GLN 164 -7.091 13.705 13.705 1272 1HB GLN 164 2HB GLN 164 -6.241 15.079 15.079 1273 2HB GLN 164 1HB GLN 164 -6.834 13.581 13.581 1274 1HG GLN 164 2HG GLN 164 -9.004 13.794 13.794 1275 2HG GLN 164 1HG GLN 164 -8.485 15.305 15.305 1276 1HE2 GLN 164 2HE2 GLN 164 -9.448 15.233 15.233 1277 2HE2 GLN 164 1HE2 GLN 164 -8.812 13.829 13.829 1278 H LEU 165 H LEU 165 -4.719 11.946 11.946 1279 HA LEU 165 HA LEU 165 -6.412 9.590 9.590 1280 1HB LEU 165 2HB LEU 165 -3.790 10.612 10.612 1281 2HB LEU 165 1HB LEU 165 -3.774 8.899 8.899 1282 HG LEU 165 HG LEU 165 -6.005 10.220 10.220 1283 1HD1 LEU 165 1HD1 LEU 165 -3.356 9.022 9.022 1284 2HD1 LEU 165 3HD1 LEU 165 -4.664 9.527 9.527 1285 3HD1 LEU 165 2HD1 LEU 165 -3.785 10.724 10.724 1286 1HD2 LEU 165 1HD2 LEU 165 -6.335 7.931 7.931 1287 2HD2 LEU 165 3HD2 LEU 165 -6.234 7.913 7.913 1288 3HD2 LEU 165 2HD2 LEU 165 -4.856 7.390 7.390 1289 H LEU 166 H LEU 166 -3.750 10.659 10.659 1290 HA LEU 166 HA LEU 166 -3.508 7.962 7.962 1291 1HB LEU 166 2HB LEU 166 -2.591 10.649 10.649 1292 2HB LEU 166 1HB LEU 166 -2.886 9.516 9.516 1293 HG LEU 166 HG LEU 166 -0.512 9.414 9.414 1294 1HD1 LEU 166 2HD1 LEU 166 -2.259 6.883 6.883 1295 2HD1 LEU 166 1HD1 LEU 166 -0.519 6.847 6.847 1296 3HD1 LEU 166 3HD1 LEU 166 -1.319 7.437 7.437 1297 1HD2 LEU 166 2HD2 LEU 166 -1.870 8.274 8.274 1298 2HD2 LEU 166 1HD2 LEU 166 -0.947 9.764 9.764 1299 3HD2 LEU 166 3HD2 LEU 166 -0.153 8.205 8.205 1300 H GLY 167 H GLY 167 -5.549 10.690 10.690 1301 1HA GLY 167 2HA GLY 167 -6.830 9.531 9.531 1302 2HA GLY 167 1HA GLY 167 -7.672 10.570 10.570 1303 H THR 168 H THR 168 -8.078 9.461 9.461 1304 HA THR 168 HA THR 168 -9.957 7.410 7.410 1305 HB THR 168 HB THR 168 -8.192 7.550 7.550 1306 HG1 THR 168 HG1 THR 168 -9.859 9.680 9.680 1307 1HG2 THR 168 3HG2 THR 168 -11.198 8.063 8.063 1308 2HG2 THR 168 2HG2 THR 168 -10.350 7.918 7.918 1309 3HG2 THR 168 1HG2 THR 168 -10.561 6.507 6.507 1310 H TYR 169 H TYR 169 -6.652 6.978 6.978 1311 HA TYR 169 HA TYR 169 -6.340 4.260 4.260 1312 1HB TYR 169 2HB TYR 169 -4.681 5.866 5.866 1313 2HB TYR 169 1HB TYR 169 -4.512 6.384 6.384 1314 HD1 TYR 169 HD2 TYR 169 -4.376 2.747 2.747 1315 HD2 TYR 169 HD1 TYR 169 -2.143 6.300 6.300 1316 HE1 TYR 169 HE2 TYR 169 -2.231 1.560 1.560 1317 HE2 TYR 169 HE1 TYR 169 -0.082 5.016 5.016 1318 HH TYR 169 HH TYR 169 0.358 3.087 3.087 1319 H LYS 170 H LYS 170 -6.353 6.121 6.121 1320 HA LYS 170 HA LYS 170 -5.462 3.850 3.850 1321 1HB LYS 170 2HB LYS 170 -5.604 6.223 6.223 1322 2HB LYS 170 1HB LYS 170 -7.333 6.189 6.189 1323 1HG LYS 170 2HG LYS 170 -7.024 5.743 5.743 1324 2HG LYS 170 1HG LYS 170 -7.412 4.196 4.196 1325 1HD LYS 170 2HD LYS 170 -4.507 4.645 4.645 1326 2HD LYS 170 1HD LYS 170 -5.099 4.930 4.930 1327 1HE LYS 170 2HE LYS 170 -5.433 2.385 2.385 1328 2HE LYS 170 1HE LYS 170 -4.408 2.590 2.590 1329 1HZ LYS 170 1HZ LYS 170 -7.086 3.298 3.298 1330 2HZ LYS 170 3HZ LYS 170 -7.033 1.758 1.758 1331 3HZ LYS 170 2HZ LYS 170 -6.134 2.034 2.034 1332 H GLN 171 H GLN 171 -8.767 5.055 5.055 1333 HA GLN 171 HA GLN 171 -10.099 2.919 2.919 1334 1HB GLN 171 2HB GLN 171 -10.975 4.303 4.303 1335 2HB GLN 171 1HB GLN 171 -11.999 3.172 3.172 1336 1HG GLN 171 2HG GLN 171 -12.838 5.238 5.238 1337 2HG GLN 171 1HG GLN 171 -11.770 4.793 4.793 1338 1HE2 GLN 171 2HE2 GLN 171 -11.001 8.192 8.192 1339 2HE2 GLN 171 1HE2 GLN 171 -12.468 7.363 7.363 1340 H VAL 172 H VAL 172 -9.283 3.011 3.011 1341 HA VAL 172 HA VAL 172 -10.176 0.384 0.384 1342 HB VAL 172 HB VAL 172 -9.124 1.145 1.145 1343 1HG1 VAL 172 2HG1 VAL 172 -10.657 3.329 3.329 1344 2HG1 VAL 172 1HG1 VAL 172 -10.507 3.114 3.114 1345 3HG1 VAL 172 3HG1 VAL 172 -11.398 1.942 1.942 1346 1HG2 VAL 172 3HG2 VAL 172 -8.060 3.270 3.270 1347 2HG2 VAL 172 2HG2 VAL 172 -7.119 2.112 2.112 1348 3HG2 VAL 172 1HG2 VAL 172 -8.106 3.323 3.323 1349 H ILE 173 H ILE 173 -6.823 1.611 1.611 1350 HA ILE 173 HA ILE 173 -5.563 -0.858 -0.858 1351 HB ILE 173 HB ILE 173 -4.551 1.646 1.646 1352 1HG1 ILE 173 2HG1 ILE 173 -2.341 0.546 0.546 1353 2HG1 ILE 173 1HG1 ILE 173 -3.076 -0.968 -0.968 1354 1HG2 ILE 173 2HG2 ILE 173 -5.249 1.089 1.089 1355 2HG2 ILE 173 1HG2 ILE 173 -4.167 -0.299 -0.299 1356 3HG2 ILE 173 3HG2 ILE 173 -3.561 1.343 1.343 1357 1HD1 ILE 173 3HD1 ILE 173 -3.365 0.367 0.367 1358 2HD1 ILE 173 2HD1 ILE 173 -2.134 -0.808 -0.808 1359 3HD1 ILE 173 1HD1 ILE 173 -3.807 -1.225 -1.225 1360 H SER 174 H SER 174 -7.086 0.419 0.419 1361 HA SER 174 HA SER 174 -6.494 -1.793 -1.793 1362 1HB SER 174 2HB SER 174 -9.000 -0.142 -0.142 1363 2HB SER 174 1HB SER 174 -8.035 -0.908 -0.908 1364 HG SER 174 HG SER 174 -7.418 1.305 1.305 1365 H VAL 175 H VAL 175 -8.405 -1.545 -1.545 1366 HA VAL 175 HA VAL 175 -10.242 -3.737 -3.737 1367 HB VAL 175 HB VAL 175 -10.265 -1.383 -1.383 1368 1HG1 VAL 175 2HG1 VAL 175 -11.878 -3.890 -3.890 1369 2HG1 VAL 175 1HG1 VAL 175 -12.099 -2.329 -2.329 1370 3HG1 VAL 175 3HG1 VAL 175 -10.608 -3.224 -3.224 1371 1HG2 VAL 175 2HG2 VAL 175 -12.352 -2.713 -2.713 1372 2HG2 VAL 175 1HG2 VAL 175 -11.395 -1.290 -1.290 1373 3HG2 VAL 175 3HG2 VAL 175 -12.561 -1.209 -1.209 1374 H VAL 176 H VAL 176 -7.577 -2.828 -2.828 1375 HA VAL 176 HA VAL 176 -8.104 -5.332 -5.332 1376 HB VAL 176 HB VAL 176 -6.379 -4.785 -4.785 1377 1HG1 VAL 176 1HG1 VAL 176 -8.640 -3.847 -3.847 1378 2HG1 VAL 176 3HG1 VAL 176 -8.192 -2.441 -2.441 1379 3HG1 VAL 176 2HG1 VAL 176 -7.476 -2.719 -2.719 1380 1HG2 VAL 176 1HG2 VAL 176 -6.198 -2.388 -2.388 1381 2HG2 VAL 176 3HG2 VAL 176 -4.885 -3.542 -3.542 1382 3HG2 VAL 176 2HG2 VAL 176 -5.258 -2.517 -2.517 1383 H VAL 177 H VAL 177 -6.056 -3.972 -3.972 1384 HA VAL 177 HA VAL 177 -4.042 -6.039 -6.039 1385 HB VAL 177 HB VAL 177 -4.113 -3.551 -3.551 1386 1HG1 VAL 177 1HG1 VAL 177 -6.105 -3.656 -3.656 1387 2HG1 VAL 177 3HG1 VAL 177 -5.278 -4.735 -4.735 1388 3HG1 VAL 177 2HG1 VAL 177 -4.705 -3.100 -3.100 1389 1HG2 VAL 177 2HG2 VAL 177 -2.995 -5.710 -5.710 1390 2HG2 VAL 177 1HG2 VAL 177 -2.145 -4.962 -4.962 1391 3HG2 VAL 177 3HG2 VAL 177 -2.525 -4.040 -4.040 1392 H GLN 178 H GLN 178 -7.300 -5.614 -5.614 1393 HA GLN 178 HA GLN 178 -7.372 -8.057 -8.057 1394 1HB GLN 178 2HB GLN 178 -9.337 -5.738 -5.738 1395 2HB GLN 178 1HB GLN 178 -9.539 -7.160 -7.160 1396 1HG GLN 178 2HG GLN 178 -7.185 -5.224 -5.224 1397 2HG GLN 178 1HG GLN 178 -8.573 -5.205 -5.205 1398 1HE2 GLN 178 2HE2 GLN 178 -5.776 -8.072 -8.072 1399 2HE2 GLN 178 1HE2 GLN 178 -5.665 -7.109 -7.109 1400 H ALA 179 H ALA 179 -7.401 -7.661 -7.661 1401 HA ALA 179 HA ALA 179 -10.068 -8.883 -8.883 1402 1HB ALA 179 3HB ALA 179 -7.967 -7.701 -7.701 1403 2HB ALA 179 2HB ALA 179 -9.514 -8.336 -8.336 1404 3HB ALA 179 1HB ALA 179 -9.456 -6.897 -6.897 1405 H PHE 180 H PHE 180 -6.628 -9.071 -9.071 1406 HA PHE 180 HA PHE 180 -6.763 -12.002 -12.002 1407 1HB PHE 180 2HB PHE 180 -4.871 -11.617 -11.617 1408 2HB PHE 180 1HB PHE 180 -6.486 -11.158 -11.158 1409 HD1 PHE 180 HD2 PHE 180 -3.463 -9.657 -9.657 1410 HD2 PHE 180 HD1 PHE 180 -6.811 -8.982 -8.982 1411 HE1 PHE 180 HE2 PHE 180 -2.668 -7.423 -7.423 1412 HE2 PHE 180 HE1 PHE 180 -6.014 -6.761 -6.761 1413 HZ PHE 180 HZ PHE 180 -3.875 -6.003 -6.003 Start of MODEL 15 1 1H SER 1 2H SER 1 -5.488 -4.697 -4.697 2 2H SER 1 1H SER 1 -4.519 -3.780 -3.780 3 3H SER 1 3H SER 1 -4.538 -3.427 -3.427 4 HA SER 1 HA SER 1 -2.905 -4.874 -4.874 5 1HB SER 1 2HB SER 1 -2.112 -4.367 -4.367 6 2HB SER 1 1HB SER 1 -3.210 -5.613 -5.613 7 HG SER 1 HG SER 1 -1.631 -6.886 -6.886 8 HA PRO 2 HA PRO 2 -5.196 -8.713 -8.713 9 1HB PRO 2 2HB PRO 2 -3.143 -10.579 -10.579 10 2HB PRO 2 1HB PRO 2 -3.527 -9.500 -9.500 11 1HG PRO 2 2HG PRO 2 -1.411 -9.082 -9.082 12 2HG PRO 2 1HG PRO 2 -1.215 -8.940 -8.940 13 1HD PRO 2 2HD PRO 2 -1.637 -6.704 -6.704 14 2HD PRO 2 1HD PRO 2 -2.528 -6.915 -6.915 15 H LEU 3 H LEU 3 -2.632 -8.804 -8.804 16 HA LEU 3 HA LEU 3 -4.398 -10.287 -10.287 17 1HB LEU 3 2HB LEU 3 -2.319 -11.369 -11.369 18 2HB LEU 3 1HB LEU 3 -2.576 -11.725 -11.725 19 HG LEU 3 HG LEU 3 -0.969 -9.540 -9.540 20 1HD1 LEU 3 2HD1 LEU 3 -0.094 -10.687 -10.687 21 2HD1 LEU 3 1HD1 LEU 3 0.793 -9.509 -9.509 22 3HD1 LEU 3 3HD1 LEU 3 -0.749 -9.085 -9.085 23 1HD2 LEU 3 1HD2 LEU 3 0.067 -12.331 -12.331 24 2HD2 LEU 3 3HD2 LEU 3 -0.496 -11.793 -11.793 25 3HD2 LEU 3 2HD2 LEU 3 0.949 -11.091 -11.091 26 HA PRO 4 HA PRO 4 -3.133 -6.913 -6.913 27 1HB PRO 4 2HB PRO 4 -4.489 -7.528 -7.528 28 2HB PRO 4 1HB PRO 4 -5.393 -7.309 -7.309 29 1HG PRO 4 2HG PRO 4 -4.464 -9.933 -9.933 30 2HG PRO 4 1HG PRO 4 -6.046 -9.555 -9.555 31 1HD PRO 4 2HD PRO 4 -3.945 -10.860 -10.860 32 2HD PRO 4 1HD PRO 4 -5.357 -10.080 -10.080 33 H ILE 5 H ILE 5 -2.278 -6.780 -6.780 34 HA ILE 5 HA ILE 5 -0.119 -8.840 -8.840 35 HB ILE 5 HB ILE 5 0.727 -6.580 -6.580 36 1HG1 ILE 5 2HG1 ILE 5 1.379 -7.124 -7.124 37 2HG1 ILE 5 1HG1 ILE 5 2.092 -7.975 -7.975 38 1HG2 ILE 5 3HG2 ILE 5 -1.121 -5.148 -5.148 39 2HG2 ILE 5 2HG2 ILE 5 -0.601 -5.481 -5.481 40 3HG2 ILE 5 1HG2 ILE 5 0.422 -4.569 -4.569 41 1HD1 ILE 5 2HD1 ILE 5 3.051 -5.827 -5.827 42 2HD1 ILE 5 1HD1 ILE 5 2.361 -4.980 -4.980 43 3HD1 ILE 5 3HD1 ILE 5 3.596 -6.192 -6.192 44 H THR 6 H THR 6 -2.401 -9.507 -9.507 45 HA THR 6 HA THR 6 -2.504 -8.920 -8.920 46 HB THR 6 HB THR 6 -4.866 -9.741 -9.741 47 HG1 THR 6 HG1 THR 6 -3.448 -7.451 -7.451 48 1HG2 THR 6 3HG2 THR 6 -4.737 -8.306 -8.306 49 2HG2 THR 6 2HG2 THR 6 -6.183 -8.803 -8.803 50 3HG2 THR 6 1HG2 THR 6 -5.123 -10.012 -10.012 51 HA PRO 7 HA PRO 7 -1.205 -13.320 -13.320 52 1HB PRO 7 2HB PRO 7 -0.878 -13.745 -13.745 53 2HB PRO 7 1HB PRO 7 0.377 -13.086 -13.086 54 1HG PRO 7 2HG PRO 7 -1.618 -11.518 -11.518 55 2HG PRO 7 1HG PRO 7 0.121 -11.307 -11.307 56 1HD PRO 7 2HD PRO 7 -1.466 -9.706 -9.706 57 2HD PRO 7 1HD PRO 7 -0.026 -10.352 -10.352 58 H VAL 8 H VAL 8 -3.321 -12.251 -12.251 59 HA VAL 8 HA VAL 8 -5.530 -13.817 -13.817 60 HB VAL 8 HB VAL 8 -4.101 -15.487 -15.487 61 1HG1 VAL 8 1HG1 VAL 8 -3.290 -14.091 -14.091 62 2HG1 VAL 8 3HG1 VAL 8 -4.924 -14.169 -14.169 63 3HG1 VAL 8 2HG1 VAL 8 -4.001 -15.619 -15.619 64 1HG2 VAL 8 3HG2 VAL 8 -6.894 -15.052 -15.052 65 2HG2 VAL 8 2HG2 VAL 8 -6.441 -15.946 -15.946 66 3HG2 VAL 8 1HG2 VAL 8 -6.002 -16.547 -16.547 67 H ASN 9 H ASN 9 -4.783 -12.577 -12.577 68 HA ASN 9 HA ASN 9 -7.110 -10.705 -10.705 69 1HB ASN 9 2HB ASN 9 -6.289 -12.290 -12.290 70 2HB ASN 9 1HB ASN 9 -7.532 -11.058 -11.058 71 1HD2 ASN 9 2HD2 ASN 9 -9.924 -13.379 -13.379 72 2HD2 ASN 9 1HD2 ASN 9 -9.629 -11.823 -11.823 73 H ALA 10 H ALA 10 -4.788 -11.146 -11.146 74 HA ALA 10 HA ALA 10 -3.780 -8.381 -8.381 75 1HB ALA 10 1HB ALA 10 -4.514 -9.579 -9.579 76 2HB ALA 10 3HB ALA 10 -3.799 -7.997 -7.997 77 3HB ALA 10 2HB ALA 10 -5.401 -8.350 -8.350 78 H THR 11 H THR 11 -2.736 -10.238 -10.238 79 HA THR 11 HA THR 11 -0.447 -11.321 -11.321 80 HB THR 11 HB THR 11 0.707 -10.177 -10.177 81 HG1 THR 11 HG1 THR 11 -0.361 -8.239 -8.239 82 1HG2 THR 11 2HG2 THR 11 0.902 -9.334 -9.334 83 2HG2 THR 11 1HG2 THR 11 2.009 -8.867 -8.867 84 3HG2 THR 11 3HG2 THR 11 1.897 -10.539 -10.539 85 H CYS 12 H CYS 12 -2.601 -11.805 -11.805 86 HA CYS 12 HA CYS 12 -1.713 -13.301 -13.301 87 1HB CYS 12 2HB CYS 12 -4.131 -13.225 -13.225 88 2HB CYS 12 1HB CYS 12 -3.684 -14.900 -14.900 89 H ALA 13 H ALA 13 -2.231 -14.677 -14.677 90 HA ALA 13 HA ALA 13 -1.240 -17.235 -17.235 91 1HB ALA 13 3HB ALA 13 -2.315 -16.314 -16.314 92 2HB ALA 13 2HB ALA 13 -0.884 -15.345 -15.345 93 3HB ALA 13 1HB ALA 13 -0.797 -17.092 -17.092 94 H ILE 14 H ILE 14 0.758 -14.450 -14.450 95 HA ILE 14 HA ILE 14 3.138 -16.217 -16.217 96 HB ILE 14 HB ILE 14 3.550 -13.517 -13.517 97 1HG1 ILE 14 2HG1 ILE 14 1.575 -14.201 -14.201 98 2HG1 ILE 14 1HG1 ILE 14 3.028 -14.234 -14.234 99 1HG2 ILE 14 2HG2 ILE 14 5.434 -15.035 -15.035 100 2HG2 ILE 14 1HG2 ILE 14 4.700 -16.276 -16.276 101 3HG2 ILE 14 3HG2 ILE 14 5.262 -14.783 -14.783 102 1HD1 ILE 14 1HD1 ILE 14 1.729 -16.711 -16.711 103 2HD1 ILE 14 3HD1 ILE 14 1.636 -16.220 -16.220 104 3HD1 ILE 14 2HD1 ILE 14 3.172 -16.697 -16.697 105 H ARG 15 H ARG 15 1.293 -14.448 -14.448 106 HA ARG 15 HA ARG 15 3.392 -12.748 -12.748 107 1HB ARG 15 2HB ARG 15 1.505 -11.437 -11.437 108 2HB ARG 15 1HB ARG 15 0.365 -12.660 -12.660 109 1HG ARG 15 2HG ARG 15 0.887 -12.276 -12.276 110 2HG ARG 15 1HG ARG 15 2.327 -11.335 -11.335 111 1HD ARG 15 2HD ARG 15 -0.503 -10.600 -10.600 112 2HD ARG 15 1HD ARG 15 0.392 -10.069 -10.069 113 HE ARG 15 HE ARG 15 2.050 -8.990 -8.990 114 1HH1 ARG 15 2HH1 ARG 15 -1.143 -9.650 -9.650 115 2HH1 ARG 15 1HH1 ARG 15 -1.015 -8.576 -8.576 116 1HH2 ARG 15 1HH2 ARG 15 2.173 -7.437 -7.437 117 2HH2 ARG 15 2HH2 ARG 15 0.885 -7.234 -7.234 118 H HIS 16 H HIS 16 2.046 -15.754 -15.754 119 HA HIS 16 HA HIS 16 2.461 -15.621 -15.621 120 1HB HIS 16 2HB HIS 16 0.968 -17.741 -17.741 121 2HB HIS 16 1HB HIS 16 1.106 -17.657 -17.657 122 HD1 HIS 16 HD1 HIS 16 -1.457 -17.368 -17.368 123 HD2 HIS 16 HD2 HIS 16 0.106 -14.352 -14.352 124 HE1 HIS 16 HE1 HIS 16 -3.215 -15.678 -15.678 125 HA PRO 17 HA PRO 17 5.879 -18.462 -18.462 126 1HB PRO 17 2HB PRO 17 8.077 -16.997 -16.997 127 2HB PRO 17 1HB PRO 17 7.038 -17.114 -17.114 128 1HG PRO 17 2HG PRO 17 7.176 -14.843 -14.843 129 2HG PRO 17 1HG PRO 17 7.078 -14.728 -14.728 130 1HD PRO 17 2HD PRO 17 4.799 -14.611 -14.611 131 2HD PRO 17 1HD PRO 17 4.786 -14.917 -14.917 132 H CYS 18 H CYS 18 5.496 -15.618 -15.618 133 HA CYS 18 HA CYS 18 7.308 -16.656 -16.656 134 1HB CYS 18 2HB CYS 18 6.424 -14.932 -14.932 135 2HB CYS 18 1HB CYS 18 6.483 -14.216 -14.216 136 H HIS 19 H HIS 19 6.651 -17.521 -17.521 137 HA HIS 19 HA HIS 19 3.946 -18.669 -18.669 138 1HB HIS 19 2HB HIS 19 6.545 -20.308 -20.308 139 2HB HIS 19 1HB HIS 19 5.061 -20.966 -20.966 140 HD1 HIS 19 HD1 HIS 19 5.931 -19.353 -19.353 141 HD2 HIS 19 HD2 HIS 19 3.726 -22.412 -22.412 142 HE1 HIS 19 HE1 HIS 19 4.899 -20.527 -20.527 143 H GLY 20 H GLY 20 4.560 -20.263 -20.263 144 1HA GLY 20 2HA GLY 20 5.828 -20.023 -20.023 145 2HA GLY 20 1HA GLY 20 5.576 -18.299 -18.299 146 H ASN 21 H ASN 21 3.353 -17.520 -17.520 147 HA ASN 21 HA ASN 21 1.352 -19.381 -19.381 148 1HB ASN 21 2HB ASN 21 2.883 -19.140 -19.140 149 2HB ASN 21 1HB ASN 21 2.659 -17.403 -17.403 150 1HD2 ASN 21 2HD2 ASN 21 -0.318 -19.796 -19.796 151 2HD2 ASN 21 1HD2 ASN 21 0.966 -20.475 -20.475 152 H LEU 22 H LEU 22 2.292 -16.074 -16.074 153 HA LEU 22 HA LEU 22 1.366 -14.059 -14.059 154 1HB LEU 22 2HB LEU 22 0.391 -15.136 -15.136 155 2HB LEU 22 1HB LEU 22 -1.036 -15.577 -15.577 156 HG LEU 22 HG LEU 22 -0.932 -12.946 -12.946 157 1HD1 LEU 22 2HD1 LEU 22 0.463 -12.914 -12.914 158 2HD1 LEU 22 1HD1 LEU 22 -0.156 -11.522 -11.522 159 3HD1 LEU 22 3HD1 LEU 22 1.142 -12.472 -12.472 160 1HD2 LEU 22 2HD2 LEU 22 -2.872 -13.922 -13.922 161 2HD2 LEU 22 1HD2 LEU 22 -2.461 -12.298 -12.298 162 3HD2 LEU 22 3HD2 LEU 22 -2.104 -13.661 -13.661 163 H MET 23 H MET 23 -1.231 -16.314 -16.314 164 HA MET 23 HA MET 23 -3.055 -14.725 -14.725 165 1HB MET 23 2HB MET 23 -2.022 -17.372 -17.372 166 2HB MET 23 1HB MET 23 -3.484 -16.588 -16.588 167 1HG MET 23 2HG MET 23 -4.227 -16.529 -16.529 168 2HG MET 23 1HG MET 23 -2.920 -17.625 -17.625 169 1HE MET 23 1HE MET 23 -2.593 -19.818 -19.818 170 2HE MET 23 3HE MET 23 -3.280 -19.493 -19.493 171 3HE MET 23 2HE MET 23 -3.901 -20.802 -20.802 172 H ASN 24 H ASN 24 -0.223 -15.872 -15.872 173 HA ASN 24 HA ASN 24 -1.024 -13.658 -13.658 174 1HB ASN 24 2HB ASN 24 -0.721 -15.996 -15.996 175 2HB ASN 24 1HB ASN 24 0.972 -15.898 -15.898 176 1HD2 ASN 24 2HD2 ASN 24 0.530 -13.043 -13.043 177 2HD2 ASN 24 1HD2 ASN 24 0.059 -12.765 -12.765 178 H GLN 25 H GLN 25 0.614 -13.666 -13.666 179 HA GLN 25 HA GLN 25 3.194 -12.522 -12.522 180 1HB GLN 25 2HB GLN 25 3.253 -14.203 -14.203 181 2HB GLN 25 1HB GLN 25 2.143 -13.237 -13.237 182 1HG GLN 25 2HG GLN 25 4.807 -12.040 -12.040 183 2HG GLN 25 1HG GLN 25 4.683 -13.136 -13.136 184 1HE2 GLN 25 2HE2 GLN 25 3.288 -9.434 -9.434 185 2HE2 GLN 25 1HE2 GLN 25 4.041 -9.886 -9.886 186 H ILE 26 H ILE 26 0.642 -11.574 -11.574 187 HA ILE 26 HA ILE 26 1.526 -8.802 -8.802 188 HB ILE 26 HB ILE 26 -0.756 -8.208 -8.208 189 1HG1 ILE 26 2HG1 ILE 26 -1.026 -11.215 -11.215 190 2HG1 ILE 26 1HG1 ILE 26 -1.999 -10.285 -10.285 191 1HG2 ILE 26 1HG2 ILE 26 1.290 -8.546 -8.546 192 2HG2 ILE 26 3HG2 ILE 26 0.869 -10.258 -10.258 193 3HG2 ILE 26 2HG2 ILE 26 -0.136 -8.987 -8.987 194 1HD1 ILE 26 3HD1 ILE 26 -2.727 -8.828 -8.828 195 2HD1 ILE 26 2HD1 ILE 26 -1.823 -9.884 -9.884 196 3HD1 ILE 26 1HD1 ILE 26 -3.144 -10.499 -10.499 197 H LYS 27 H LYS 27 -0.124 -10.818 -10.818 198 HA LYS 27 HA LYS 27 -1.915 -8.978 -8.978 199 1HB LYS 27 2HB LYS 27 -2.242 -11.427 -11.427 200 2HB LYS 27 1HB LYS 27 -0.699 -11.679 -11.679 201 1HG LYS 27 2HG LYS 27 -1.600 -10.531 -10.531 202 2HG LYS 27 1HG LYS 27 -3.108 -10.289 -10.289 203 1HD LYS 27 2HD LYS 27 -2.892 -12.975 -12.975 204 2HD LYS 27 1HD LYS 27 -1.941 -12.860 -12.860 205 1HE LYS 27 2HE LYS 27 -3.741 -11.947 -11.947 206 2HE LYS 27 1HE LYS 27 -4.660 -11.571 -11.571 207 1HZ LYS 27 1HZ LYS 27 -4.208 -14.320 -14.320 208 2HZ LYS 27 3HZ LYS 27 -4.712 -13.956 -13.956 209 3HZ LYS 27 2HZ LYS 27 -5.642 -13.451 -13.451 210 H ASN 28 H ASN 28 1.008 -10.711 -10.711 211 HA ASN 28 HA ASN 28 1.739 -9.221 -9.221 212 1HB ASN 28 2HB ASN 28 2.851 -11.331 -11.331 213 2HB ASN 28 1HB ASN 28 3.723 -10.275 -10.275 214 1HD2 ASN 28 2HD2 ASN 28 5.995 -9.294 -9.294 215 2HD2 ASN 28 1HD2 ASN 28 5.651 -9.287 -9.287 216 H GLN 29 H GLN 29 2.482 -8.586 -8.586 217 HA GLN 29 HA GLN 29 4.086 -6.228 -6.228 218 1HB GLN 29 2HB GLN 29 2.972 -7.599 -7.599 219 2HB GLN 29 1HB GLN 29 3.253 -5.883 -5.883 220 1HG GLN 29 2HG GLN 29 5.520 -7.439 -7.439 221 2HG GLN 29 1HG GLN 29 5.205 -7.743 -7.743 222 1HE2 GLN 29 2HE2 GLN 29 6.880 -4.210 -4.210 223 2HE2 GLN 29 1HE2 GLN 29 6.526 -5.292 -5.292 224 H LEU 30 H LEU 30 0.737 -6.613 -6.613 225 HA LEU 30 HA LEU 30 0.055 -3.950 -3.950 226 1HB LEU 30 2HB LEU 30 -1.462 -6.251 -6.251 227 2HB LEU 30 1HB LEU 30 -1.964 -5.581 -5.581 228 HG LEU 30 HG LEU 30 -3.439 -4.826 -4.826 229 1HD1 LEU 30 1HD1 LEU 30 -2.755 -3.026 -3.026 230 2HD1 LEU 30 3HD1 LEU 30 -1.519 -2.496 -2.496 231 3HD1 LEU 30 2HD1 LEU 30 -3.202 -2.407 -2.407 232 1HD2 LEU 30 1HD2 LEU 30 -1.019 -3.861 -3.861 233 2HD2 LEU 30 3HD2 LEU 30 -2.046 -5.201 -5.201 234 3HD2 LEU 30 2HD2 LEU 30 -2.696 -3.575 -3.575 235 H ALA 31 H ALA 31 0.066 -5.835 -5.835 236 HA ALA 31 HA ALA 31 -0.918 -3.899 -3.899 237 1HB ALA 31 1HB ALA 31 1.342 -5.847 -5.847 238 2HB ALA 31 3HB ALA 31 0.412 -5.020 -5.020 239 3HB ALA 31 2HB ALA 31 -0.387 -6.188 -6.188 240 H GLN 32 H GLN 32 2.330 -4.422 -4.422 241 HA GLN 32 HA GLN 32 3.674 -2.385 -2.385 242 1HB GLN 32 2HB GLN 32 4.270 -3.420 -3.420 243 2HB GLN 32 1HB GLN 32 5.383 -2.515 -2.515 244 1HG GLN 32 2HG GLN 32 5.654 -4.224 -4.224 245 2HG GLN 32 1HG GLN 32 4.175 -5.051 -5.051 246 1HE2 GLN 32 2HE2 GLN 32 6.073 -7.278 -7.278 247 2HE2 GLN 32 1HE2 GLN 32 4.799 -7.037 -7.037 248 H LEU 33 H LEU 33 1.555 -2.209 -2.209 249 HA LEU 33 HA LEU 33 2.147 0.641 0.641 250 1HB LEU 33 2HB LEU 33 -0.230 -0.914 -0.914 251 2HB LEU 33 1HB LEU 33 0.637 0.386 0.386 252 HG LEU 33 HG LEU 33 1.725 -2.438 -2.438 253 1HD1 LEU 33 3HD1 LEU 33 0.099 -2.280 -2.280 254 2HD1 LEU 33 2HD1 LEU 33 1.100 -1.059 -1.059 255 3HD1 LEU 33 1HD1 LEU 33 1.729 -2.671 -2.671 256 1HD2 LEU 33 3HD2 LEU 33 3.523 -0.699 -0.699 257 2HD2 LEU 33 2HD2 LEU 33 3.672 -1.739 -1.739 258 3HD2 LEU 33 1HD2 LEU 33 3.059 -0.089 -0.089 259 H ASN 34 H ASN 34 -0.481 -1.352 -1.352 260 HA ASN 34 HA ASN 34 -2.405 0.624 0.624 261 1HB ASN 34 2HB ASN 34 -2.504 -1.900 -1.900 262 2HB ASN 34 1HB ASN 34 -1.519 -1.601 -1.601 263 1HD2 ASN 34 2HD2 ASN 34 -4.301 -0.501 -0.501 264 2HD2 ASN 34 1HD2 ASN 34 -2.670 -0.977 -0.977 265 H GLY 35 H GLY 35 0.214 -0.460 -0.460 266 1HA GLY 35 2HA GLY 35 0.166 1.352 1.352 267 2HA GLY 35 1HA GLY 35 1.675 0.732 0.732 268 H SER 36 H SER 36 1.578 1.920 1.920 269 HA SER 36 HA SER 36 2.362 4.644 4.644 270 1HB SER 36 2HB SER 36 3.247 4.769 4.769 271 2HB SER 36 1HB SER 36 3.693 3.267 3.267 272 HG SER 36 HG SER 36 1.263 3.005 3.005 273 H ALA 37 H ALA 37 -0.282 3.180 3.180 274 HA ALA 37 HA ALA 37 -1.331 5.295 5.295 275 1HB ALA 37 1HB ALA 37 -2.308 2.891 2.891 276 2HB ALA 37 3HB ALA 37 -2.920 3.306 3.306 277 3HB ALA 37 2HB ALA 37 -3.503 4.158 4.158 278 H ASN 38 H ASN 38 -1.525 4.532 4.532 279 HA ASN 38 HA ASN 38 -2.997 7.086 7.086 280 1HB ASN 38 2HB ASN 38 -3.495 4.877 4.877 281 2HB ASN 38 1HB ASN 38 -2.022 5.160 5.160 282 1HD2 ASN 38 2HD2 ASN 38 -3.975 8.392 8.392 283 2HD2 ASN 38 1HD2 ASN 38 -2.872 8.325 8.325 284 H ALA 39 H ALA 39 0.253 5.768 5.768 285 HA ALA 39 HA ALA 39 1.079 8.243 8.243 286 1HB ALA 39 2HB ALA 39 1.978 5.939 5.939 287 2HB ALA 39 1HB ALA 39 2.661 5.758 5.758 288 3HB ALA 39 3HB ALA 39 3.307 6.978 6.978 289 H LEU 40 H LEU 40 2.229 6.614 6.614 290 HA LEU 40 HA LEU 40 3.956 8.640 8.640 291 1HB LEU 40 2HB LEU 40 3.924 6.610 6.610 292 2HB LEU 40 1HB LEU 40 2.189 6.603 6.603 293 HG LEU 40 HG LEU 40 3.771 7.158 7.158 294 1HD1 LEU 40 3HD1 LEU 40 1.221 8.710 8.710 295 2HD1 LEU 40 2HD1 LEU 40 1.995 8.543 8.543 296 3HD1 LEU 40 1HD1 LEU 40 1.430 7.120 7.120 297 1HD2 LEU 40 1HD2 LEU 40 3.410 9.886 9.886 298 2HD2 LEU 40 3HD2 LEU 40 4.965 9.140 9.140 299 3HD2 LEU 40 2HD2 LEU 40 3.909 9.563 9.563 300 H PHE 41 H PHE 41 0.466 8.155 8.155 301 HA PHE 41 HA PHE 41 -0.258 10.427 10.427 302 1HB PHE 41 2HB PHE 41 -2.055 8.994 8.994 303 2HB PHE 41 1HB PHE 41 -1.664 9.520 9.520 304 HD1 PHE 41 HD2 PHE 41 -1.784 11.737 11.737 305 HD2 PHE 41 HD1 PHE 41 -3.790 10.550 10.550 306 HE1 PHE 41 HE2 PHE 41 -3.290 13.607 13.607 307 HE2 PHE 41 HE1 PHE 41 -5.346 12.495 12.495 308 HZ PHE 41 HZ PHE 41 -5.071 14.003 14.003 309 H ILE 42 H ILE 42 0.548 10.542 10.542 310 HA ILE 42 HA ILE 42 0.143 13.434 13.434 311 HB ILE 42 HB ILE 42 1.066 11.157 11.157 312 1HG1 ILE 42 2HG1 ILE 42 -0.775 11.875 11.875 313 2HG1 ILE 42 1HG1 ILE 42 -0.927 13.368 13.368 314 1HG2 ILE 42 3HG2 ILE 42 1.385 14.044 14.044 315 2HG2 ILE 42 2HG2 ILE 42 1.561 12.622 12.622 316 3HG2 ILE 42 1HG2 ILE 42 2.716 12.912 12.912 317 1HD1 ILE 42 3HD1 ILE 42 -1.472 11.985 11.985 318 2HD1 ILE 42 2HD1 ILE 42 -1.327 10.536 10.536 319 3HD1 ILE 42 1HD1 ILE 42 -2.476 11.788 11.788 320 H SER 43 H SER 43 2.608 11.379 11.379 321 HA SER 43 HA SER 43 4.815 13.221 13.221 322 1HB SER 43 2HB SER 43 4.917 10.614 10.614 323 2HB SER 43 1HB SER 43 5.031 10.385 10.385 324 HG SER 43 HG SER 43 6.791 12.259 12.259 325 H TYR 44 H TYR 44 2.834 12.280 12.280 326 HA TYR 44 HA TYR 44 4.449 13.184 13.184 327 1HB TYR 44 2HB TYR 44 3.289 11.414 11.414 328 2HB TYR 44 1HB TYR 44 1.976 11.481 11.481 329 HD1 TYR 44 HD1 TYR 44 3.315 12.772 12.772 330 HD2 TYR 44 HD2 TYR 44 -0.094 12.692 12.692 331 HE1 TYR 44 HE1 TYR 44 2.162 13.860 13.860 332 HE2 TYR 44 HE2 TYR 44 -1.289 13.761 13.761 333 HH TYR 44 HH TYR 44 0.055 15.489 15.489 334 H TYR 45 H TYR 45 1.220 13.864 13.864 335 HA TYR 45 HA TYR 45 1.072 16.379 16.379 336 1HB TYR 45 2HB TYR 45 -1.199 16.555 16.555 337 2HB TYR 45 1HB TYR 45 -0.960 14.836 14.836 338 HD1 TYR 45 HD1 TYR 45 -0.381 17.706 17.706 339 HD2 TYR 45 HD2 TYR 45 -1.901 13.727 13.727 340 HE1 TYR 45 HE1 TYR 45 -0.992 17.738 17.738 341 HE2 TYR 45 HE2 TYR 45 -2.530 13.807 13.807 342 HH TYR 45 HH TYR 45 -2.453 14.935 14.935 343 H THR 46 H THR 46 2.408 15.771 15.771 344 HA THR 46 HA THR 46 2.044 18.494 18.494 345 HB THR 46 HB THR 46 3.960 17.858 17.858 346 HG1 THR 46 HG1 THR 46 5.131 16.144 16.144 347 1HG2 THR 46 1HG2 THR 46 1.720 15.779 15.779 348 2HG2 THR 46 3HG2 THR 46 2.742 16.043 16.043 349 3HG2 THR 46 2HG2 THR 46 1.628 17.286 17.286 350 H ALA 47 H ALA 47 4.547 16.743 16.743 351 HA ALA 47 HA ALA 47 6.485 18.828 18.828 352 1HB ALA 47 3HB ALA 47 6.954 16.422 16.422 353 2HB ALA 47 2HB ALA 47 5.922 16.633 16.633 354 3HB ALA 47 1HB ALA 47 7.419 17.539 17.539 355 H GLN 48 H GLN 48 3.489 18.321 18.321 356 HA GLN 48 HA GLN 48 4.075 19.863 19.863 357 1HB GLN 48 2HB GLN 48 1.590 19.190 19.190 358 2HB GLN 48 1HB GLN 48 1.486 20.494 20.494 359 1HG GLN 48 2HG GLN 48 0.826 18.369 18.369 360 2HG GLN 48 1HG GLN 48 2.282 18.909 18.909 361 1HE2 GLN 48 2HE2 GLN 48 4.111 16.232 16.232 362 2HE2 GLN 48 1HE2 GLN 48 4.331 17.914 17.914 363 H GLY 49 H GLY 49 2.590 20.911 20.911 364 1HA GLY 49 2HA GLY 49 3.643 22.978 22.978 365 2HA GLY 49 1HA GLY 49 3.117 23.731 23.731 366 H GLU 50 H GLU 50 1.968 24.704 24.704 367 HA GLU 50 HA GLU 50 -0.574 23.335 23.335 368 1HB GLU 50 2HB GLU 50 -0.820 25.032 25.032 369 2HB GLU 50 1HB GLU 50 0.769 24.326 24.326 370 1HG GLU 50 2HG GLU 50 1.067 26.696 26.696 371 2HG GLU 50 1HG GLU 50 1.628 26.399 26.399 372 HA PRO 51 HA PRO 51 -2.660 25.013 25.013 373 1HB PRO 51 2HB PRO 51 -5.186 25.520 25.520 374 2HB PRO 51 1HB PRO 51 -4.012 26.822 26.822 375 1HG PRO 51 2HG PRO 51 -4.702 25.438 25.438 376 2HG PRO 51 1HG PRO 51 -4.791 27.175 27.175 377 1HD PRO 51 2HD PRO 51 -2.539 26.128 26.128 378 2HD PRO 51 1HD PRO 51 -2.393 27.401 27.401 379 H PHE 52 H PHE 52 -1.910 22.758 22.758 380 HA PHE 52 HA PHE 52 -3.923 20.948 20.948 381 1HB PHE 52 2HB PHE 52 -0.941 20.850 20.850 382 2HB PHE 52 1HB PHE 52 -1.744 19.317 19.317 383 HD1 PHE 52 HD1 PHE 52 -1.695 22.324 22.324 384 HD2 PHE 52 HD2 PHE 52 -2.556 18.171 18.171 385 HE1 PHE 52 HE1 PHE 52 -2.068 22.179 22.179 386 HE2 PHE 52 HE2 PHE 52 -2.915 18.018 18.018 387 HZ PHE 52 HZ PHE 52 -2.645 20.061 20.061 388 HA PRO 53 HA PRO 53 -2.737 18.339 18.339 389 1HB PRO 53 2HB PRO 53 -1.410 19.764 19.764 390 2HB PRO 53 1HB PRO 53 -0.593 18.704 18.704 391 1HG PRO 53 2HG PRO 53 -1.046 21.737 21.737 392 2HG PRO 53 1HG PRO 53 0.466 20.848 20.848 393 1HD PRO 53 2HD PRO 53 -0.870 21.498 21.498 394 2HD PRO 53 1HD PRO 53 -0.315 19.820 19.820 395 H ASN 54 H ASN 54 -3.794 21.357 21.357 396 HA ASN 54 HA ASN 54 -5.727 21.322 21.322 397 1HB ASN 54 2HB ASN 54 -4.310 23.277 23.277 398 2HB ASN 54 1HB ASN 54 -4.529 23.569 23.569 399 1HD2 ASN 54 2HD2 ASN 54 -8.016 24.535 24.535 400 2HD2 ASN 54 1HD2 ASN 54 -7.621 22.896 22.896 401 H ASN 55 H ASN 55 -5.525 21.665 21.665 402 HA ASN 55 HA ASN 55 -8.514 21.423 21.423 403 1HB ASN 55 2HB ASN 55 -6.734 23.030 23.030 404 2HB ASN 55 1HB ASN 55 -8.479 22.881 22.881 405 1HD2 ASN 55 2HD2 ASN 55 -6.934 25.427 25.427 406 2HD2 ASN 55 1HD2 ASN 55 -5.921 24.431 24.431 407 H LEU 56 H LEU 56 -6.224 19.472 19.472 408 HA LEU 56 HA LEU 56 -6.260 18.579 18.579 409 1HB LEU 56 2HB LEU 56 -5.225 16.559 16.559 410 2HB LEU 56 1HB LEU 56 -4.704 17.799 17.799 411 HG LEU 56 HG LEU 56 -6.796 17.081 17.081 412 1HD1 LEU 56 1HD1 LEU 56 -7.745 15.486 15.486 413 2HD1 LEU 56 3HD1 LEU 56 -6.264 14.584 14.584 414 3HD1 LEU 56 2HD1 LEU 56 -7.326 14.679 14.679 415 1HD2 LEU 56 2HD2 LEU 56 -4.406 16.716 16.716 416 2HD2 LEU 56 1HD2 LEU 56 -5.418 15.368 15.368 417 3HD2 LEU 56 3HD2 LEU 56 -4.426 15.239 15.239 418 H ASP 57 H ASP 57 -8.378 18.184 18.184 419 HA ASP 57 HA ASP 57 -9.981 16.173 16.173 420 1HB ASP 57 2HB ASP 57 -10.368 17.351 17.351 421 2HB ASP 57 1HB ASP 57 -11.061 18.713 18.713 422 H LYS 58 H LYS 58 -9.896 19.450 19.450 423 HA LYS 58 HA LYS 58 -12.094 18.724 18.724 424 1HB LYS 58 2HB LYS 58 -10.993 21.506 21.506 425 2HB LYS 58 1HB LYS 58 -12.238 21.189 21.189 426 1HG LYS 58 2HG LYS 58 -12.392 21.171 21.171 427 2HG LYS 58 1HG LYS 58 -13.426 21.984 21.984 428 1HD LYS 58 2HD LYS 58 -14.936 20.323 20.323 429 2HD LYS 58 1HD LYS 58 -13.954 19.363 19.363 430 1HE LYS 58 2HE LYS 58 -12.500 18.980 18.980 431 2HE LYS 58 1HE LYS 58 -14.004 19.355 19.355 432 1HZ LYS 58 1HZ LYS 58 -14.727 17.465 17.465 433 2HZ LYS 58 3HZ LYS 58 -13.220 16.945 16.945 434 3HZ LYS 58 2HZ LYS 58 -14.417 17.255 17.255 435 H LEU 59 H LEU 59 -8.787 19.478 19.478 436 HA LEU 59 HA LEU 59 -8.466 19.844 19.844 437 1HB LEU 59 2HB LEU 59 -6.527 20.080 20.080 438 2HB LEU 59 1HB LEU 59 -6.095 20.324 20.324 439 HG LEU 59 HG LEU 59 -7.085 22.412 22.412 440 1HD1 LEU 59 2HD1 LEU 59 -9.002 21.827 21.827 441 2HD1 LEU 59 1HD1 LEU 59 -8.946 23.282 23.282 442 3HD1 LEU 59 3HD1 LEU 59 -9.455 21.784 21.784 443 1HD2 LEU 59 1HD2 LEU 59 -6.720 21.958 21.958 444 2HD2 LEU 59 3HD2 LEU 59 -5.438 22.410 22.410 445 3HD2 LEU 59 2HD2 LEU 59 -6.734 23.546 23.546 446 H CYS 60 H CYS 60 -8.727 17.230 17.230 447 HA CYS 60 HA CYS 60 -6.643 15.647 15.647 448 1HB CYS 60 2HB CYS 60 -6.552 16.032 16.032 449 2HB CYS 60 1HB CYS 60 -7.623 14.650 14.650 450 H GLY 61 H GLY 61 -9.312 14.609 14.609 451 1HA GLY 61 2HA GLY 61 -11.634 14.149 14.149 452 2HA GLY 61 1HA GLY 61 -11.010 13.858 13.858 453 HA PRO 62 HA PRO 62 -9.728 9.976 9.976 454 1HB PRO 62 2HB PRO 62 -9.989 9.557 9.557 455 2HB PRO 62 1HB PRO 62 -8.741 10.657 10.657 456 1HG PRO 62 2HG PRO 62 -11.575 11.415 11.415 457 2HG PRO 62 1HG PRO 62 -10.044 12.094 12.094 458 1HD PRO 62 2HD PRO 62 -11.514 13.298 13.298 459 2HD PRO 62 1HD PRO 62 -9.732 13.351 13.351 460 H ASN 63 H ASN 63 -11.982 10.337 10.337 461 HA ASN 63 HA ASN 63 -13.766 8.234 8.234 462 1HB ASN 63 2HB ASN 63 -14.840 10.436 10.436 463 2HB ASN 63 1HB ASN 63 -14.586 10.823 10.823 464 1HD2 ASN 63 2HD2 ASN 63 -17.621 8.342 8.342 465 2HD2 ASN 63 1HD2 ASN 63 -16.513 8.837 8.837 466 H VAL 64 H VAL 64 -14.001 9.831 9.831 467 HA VAL 64 HA VAL 64 -13.075 7.299 7.299 468 HB VAL 64 HB VAL 64 -15.578 7.201 7.201 469 1HG1 VAL 64 3HG1 VAL 64 -16.218 9.568 9.568 470 2HG1 VAL 64 2HG1 VAL 64 -15.704 9.439 9.439 471 3HG1 VAL 64 1HG1 VAL 64 -17.049 8.491 8.491 472 1HG2 VAL 64 3HG2 VAL 64 -14.508 7.164 7.164 473 2HG2 VAL 64 2HG2 VAL 64 -14.441 5.851 5.851 474 3HG2 VAL 64 1HG2 VAL 64 -15.986 6.374 6.374 475 H THR 65 H THR 65 -14.163 10.567 10.567 476 HA THR 65 HA THR 65 -13.708 12.033 12.033 477 HB THR 65 HB THR 65 -11.870 12.615 12.615 478 HG1 THR 65 HG1 THR 65 -11.362 12.538 12.538 479 1HG2 THR 65 2HG2 THR 65 -10.296 10.130 10.130 480 2HG2 THR 65 1HG2 THR 65 -9.676 11.465 11.465 481 3HG2 THR 65 3HG2 THR 65 -10.962 10.473 10.473 482 H ASP 66 H ASP 66 -10.774 10.523 10.523 483 HA ASP 66 HA ASP 66 -12.244 9.557 9.557 484 1HB ASP 66 2HB ASP 66 -9.490 10.832 10.832 485 2HB ASP 66 1HB ASP 66 -10.039 10.091 10.091 486 H PHE 67 H PHE 67 -11.839 7.927 7.927 487 HA PHE 67 HA PHE 67 -9.826 5.919 5.919 488 1HB PHE 67 2HB PHE 67 -11.242 6.463 6.463 489 2HB PHE 67 1HB PHE 67 -11.435 4.784 4.784 490 HD1 PHE 67 HD1 PHE 67 -9.031 7.403 7.403 491 HD2 PHE 67 HD2 PHE 67 -9.527 3.270 3.270 492 HE1 PHE 67 HE1 PHE 67 -6.775 6.959 6.959 493 HE2 PHE 67 HE2 PHE 67 -7.256 2.867 2.867 494 HZ PHE 67 HZ PHE 67 -5.917 4.652 4.652 495 HA PRO 68 HA PRO 68 -13.162 3.341 3.341 496 1HB PRO 68 2HB PRO 68 -11.863 0.948 0.948 497 2HB PRO 68 1HB PRO 68 -11.500 2.258 2.258 498 1HG PRO 68 2HG PRO 68 -10.080 1.584 1.584 499 2HG PRO 68 1HG PRO 68 -9.337 1.781 1.781 500 1HD PRO 68 2HD PRO 68 -9.418 3.839 3.839 501 2HD PRO 68 1HD PRO 68 -9.637 4.190 4.190 502 HA PRO 69 HA PRO 69 -14.827 1.957 1.957 503 1HB PRO 69 2HB PRO 69 -17.081 0.733 0.733 504 2HB PRO 69 1HB PRO 69 -16.824 2.441 2.441 505 1HG PRO 69 2HG PRO 69 -16.148 -0.005 -0.005 506 2HG PRO 69 1HG PRO 69 -17.175 1.361 1.361 507 1HD PRO 69 2HD PRO 69 -14.525 1.369 1.369 508 2HD PRO 69 1HD PRO 69 -15.315 2.875 2.875 509 H PHE 70 H PHE 70 -12.796 0.521 0.521 510 HA PHE 70 HA PHE 70 -12.464 -2.111 -2.111 511 1HB PHE 70 2HB PHE 70 -11.058 -0.809 -0.809 512 2HB PHE 70 1HB PHE 70 -12.175 -1.446 -1.446 513 HD1 PHE 70 HD1 PHE 70 -10.141 -2.670 -2.670 514 HD2 PHE 70 HD2 PHE 70 -11.773 -3.646 -3.646 515 HE1 PHE 70 HE1 PHE 70 -9.107 -4.860 -4.860 516 HE2 PHE 70 HE2 PHE 70 -10.700 -5.865 -5.865 517 HZ PHE 70 HZ PHE 70 -9.365 -6.440 -6.440 518 H HIS 71 H HIS 71 -14.348 -3.368 -3.368 519 HA HIS 71 HA HIS 71 -15.859 -4.101 -4.101 520 1HB HIS 71 2HB HIS 71 -17.945 -4.119 -4.119 521 2HB HIS 71 1HB HIS 71 -17.206 -2.525 -2.525 522 HD1 HIS 71 HD1 HIS 71 -15.417 -2.315 -2.315 523 HD2 HIS 71 HD2 HIS 71 -18.676 -4.796 -4.796 524 HE1 HIS 71 HE1 HIS 71 -15.847 -2.686 -2.686 525 H ALA 72 H ALA 72 -14.187 -5.782 -5.782 526 HA ALA 72 HA ALA 72 -13.557 -7.810 -7.810 527 1HB ALA 72 2HB ALA 72 -13.015 -7.875 -7.875 528 2HB ALA 72 1HB ALA 72 -14.691 -8.313 -8.313 529 3HB ALA 72 3HB ALA 72 -13.704 -9.422 -9.422 530 H ASN 73 H ASN 73 -15.549 -7.688 -7.688 531 HA ASN 73 HA ASN 73 -17.688 -9.636 -9.636 532 1HB ASN 73 2HB ASN 73 -18.183 -7.345 -7.345 533 2HB ASN 73 1HB ASN 73 -17.484 -7.894 -7.894 534 1HD2 ASN 73 2HD2 ASN 73 -20.556 -10.308 -10.308 535 2HD2 ASN 73 1HD2 ASN 73 -18.974 -10.686 -10.686 536 H GLY 74 H GLY 74 -14.991 -10.284 -10.284 537 1HA GLY 74 2HA GLY 74 -15.542 -12.191 -12.191 538 2HA GLY 74 1HA GLY 74 -13.984 -11.406 -11.406 539 H THR 75 H THR 75 -13.263 -11.614 -11.614 540 HA THR 75 HA THR 75 -13.035 -13.044 -13.044 541 HB THR 75 HB THR 75 -13.758 -15.266 -15.266 542 HG1 THR 75 HG1 THR 75 -12.423 -16.149 -16.149 543 1HG2 THR 75 1HG2 THR 75 -12.502 -14.762 -14.762 544 2HG2 THR 75 3HG2 THR 75 -11.003 -15.014 -15.014 545 3HG2 THR 75 2HG2 THR 75 -12.117 -16.340 -16.340 546 H GLU 76 H GLU 76 -10.475 -14.402 -14.402 547 HA GLU 76 HA GLU 76 -8.603 -12.293 -12.293 548 1HB GLU 76 2HB GLU 76 -6.858 -13.775 -13.775 549 2HB GLU 76 1HB GLU 76 -7.876 -14.755 -14.755 550 1HG GLU 76 2HG GLU 76 -9.114 -15.560 -15.560 551 2HG GLU 76 1HG GLU 76 -8.048 -14.610 -14.610 552 H LYS 77 H LYS 77 -9.908 -13.889 -13.889 553 HA LYS 77 HA LYS 77 -9.036 -12.493 -12.493 554 1HB LYS 77 2HB LYS 77 -10.635 -14.389 -14.389 555 2HB LYS 77 1HB LYS 77 -11.819 -13.579 -13.579 556 1HG LYS 77 2HG LYS 77 -12.463 -12.067 -12.067 557 2HG LYS 77 1HG LYS 77 -11.125 -12.559 -12.559 558 1HD LYS 77 2HD LYS 77 -13.075 -13.594 -13.594 559 2HD LYS 77 1HD LYS 77 -12.147 -14.869 -14.869 560 1HE LYS 77 2HE LYS 77 -14.550 -13.572 -13.572 561 2HE LYS 77 1HE LYS 77 -14.725 -14.932 -14.932 562 1HZ LYS 77 3HZ LYS 77 -12.741 -15.521 -15.521 563 2HZ LYS 77 2HZ LYS 77 -14.181 -15.005 -15.005 564 3HZ LYS 77 1HZ LYS 77 -14.207 -16.316 -16.316 565 H ALA 78 H ALA 78 -11.717 -11.313 -11.313 566 HA ALA 78 HA ALA 78 -11.504 -8.819 -8.819 567 1HB ALA 78 2HB ALA 78 -13.366 -9.250 -9.250 568 2HB ALA 78 1HB ALA 78 -13.341 -7.872 -7.872 569 3HB ALA 78 3HB ALA 78 -13.833 -9.427 -9.427 570 H LYS 79 H LYS 79 -10.945 -9.979 -9.979 571 HA LYS 79 HA LYS 79 -10.362 -7.600 -7.600 572 1HB LYS 79 2HB LYS 79 -9.208 -10.372 -10.372 573 2HB LYS 79 1HB LYS 79 -8.992 -9.103 -9.103 574 1HG LYS 79 2HG LYS 79 -11.332 -8.987 -8.987 575 2HG LYS 79 1HG LYS 79 -11.801 -9.788 -9.788 576 1HD LYS 79 2HD LYS 79 -12.208 -11.422 -11.422 577 2HD LYS 79 1HD LYS 79 -10.634 -11.891 -11.891 578 1HE LYS 79 2HE LYS 79 -9.487 -10.749 -10.749 579 2HE LYS 79 1HE LYS 79 -11.015 -10.282 -10.282 580 1HZ LYS 79 1HZ LYS 79 -11.066 -13.091 -13.091 581 2HZ LYS 79 3HZ LYS 79 -9.571 -12.611 -12.611 582 3HZ LYS 79 2HZ LYS 79 -10.985 -12.230 -12.230 583 H LEU 80 H LEU 80 -8.438 -9.467 -9.467 584 HA LEU 80 HA LEU 80 -6.010 -7.832 -7.832 585 1HB LEU 80 2HB LEU 80 -6.655 -10.432 -10.432 586 2HB LEU 80 1HB LEU 80 -5.169 -9.545 -9.545 587 HG LEU 80 HG LEU 80 -4.412 -9.830 -9.830 588 1HD1 LEU 80 2HD1 LEU 80 -6.473 -9.323 -9.323 589 2HD1 LEU 80 1HD1 LEU 80 -7.121 -10.904 -10.904 590 3HD1 LEU 80 3HD1 LEU 80 -5.689 -10.770 -10.770 591 1HD2 LEU 80 2HD2 LEU 80 -5.823 -12.395 -12.395 592 2HD2 LEU 80 1HD2 LEU 80 -4.209 -11.889 -11.889 593 3HD2 LEU 80 3HD2 LEU 80 -4.569 -12.301 -12.301 594 H VAL 81 H VAL 81 -7.988 -8.984 -8.984 595 HA VAL 81 HA VAL 81 -6.971 -7.213 -7.213 596 HB VAL 81 HB VAL 81 -9.886 -8.057 -8.057 597 1HG1 VAL 81 1HG1 VAL 81 -10.028 -5.967 -5.967 598 2HG1 VAL 81 3HG1 VAL 81 -8.942 -6.667 -6.667 599 3HG1 VAL 81 2HG1 VAL 81 -10.524 -7.363 -7.363 600 1HG2 VAL 81 1HG2 VAL 81 -8.308 -9.822 -9.822 601 2HG2 VAL 81 3HG2 VAL 81 -9.549 -9.547 -9.547 602 3HG2 VAL 81 2HG2 VAL 81 -7.931 -8.875 -8.875 603 H GLU 82 H GLU 82 -9.314 -6.351 -6.351 604 HA GLU 82 HA GLU 82 -9.435 -3.662 -3.662 605 1HB GLU 82 2HB GLU 82 -11.350 -4.971 -4.971 606 2HB GLU 82 1HB GLU 82 -10.573 -4.783 -4.783 607 1HG GLU 82 2HG GLU 82 -10.733 -2.303 -2.303 608 2HG GLU 82 1HG GLU 82 -11.480 -2.496 -2.496 609 H LEU 83 H LEU 83 -7.964 -5.272 -5.272 610 HA LEU 83 HA LEU 83 -7.038 -2.839 -2.839 611 1HB LEU 83 2HB LEU 83 -6.990 -4.986 -4.986 612 2HB LEU 83 1HB LEU 83 -5.930 -5.680 -5.680 613 HG LEU 83 HG LEU 83 -5.122 -4.851 -4.851 614 1HD1 LEU 83 2HD1 LEU 83 -3.517 -4.346 -4.346 615 2HD1 LEU 83 1HD1 LEU 83 -2.849 -4.508 -4.508 616 3HD1 LEU 83 3HD1 LEU 83 -3.665 -5.864 -5.864 617 1HD2 LEU 83 1HD2 LEU 83 -4.974 -2.282 -2.282 618 2HD2 LEU 83 3HD2 LEU 83 -5.897 -2.683 -2.683 619 3HD2 LEU 83 2HD2 LEU 83 -4.149 -2.640 -2.640 620 H TYR 84 H TYR 84 -5.500 -5.085 -5.085 621 HA TYR 84 HA TYR 84 -3.196 -4.034 -4.034 622 1HB TYR 84 2HB TYR 84 -4.295 -6.054 -6.054 623 2HB TYR 84 1HB TYR 84 -5.417 -5.144 -5.144 624 HD1 TYR 84 HD2 TYR 84 -4.541 -3.688 -3.688 625 HD2 TYR 84 HD1 TYR 84 -2.043 -6.296 -6.296 626 HE1 TYR 84 HE2 TYR 84 -2.927 -3.498 -3.498 627 HE2 TYR 84 HE1 TYR 84 -0.414 -6.142 -6.142 628 HH TYR 84 HH TYR 84 0.324 -4.974 -4.974 629 H ARG 85 H ARG 85 -5.987 -3.456 -3.456 630 HA ARG 85 HA ARG 85 -5.233 -1.184 -1.184 631 1HB ARG 85 2HB ARG 85 -7.995 -1.863 -1.863 632 2HB ARG 85 1HB ARG 85 -7.701 -0.748 -0.748 633 1HG ARG 85 2HG ARG 85 -6.671 -2.534 -2.534 634 2HG ARG 85 1HG ARG 85 -6.673 -3.660 -3.660 635 1HD ARG 85 2HD ARG 85 -8.507 -4.395 -4.395 636 2HD ARG 85 1HD ARG 85 -9.351 -3.235 -3.235 637 HE ARG 85 HE ARG 85 -8.588 -3.090 -3.090 638 1HH1 ARG 85 2HH1 ARG 85 -9.919 -1.505 -1.505 639 2HH1 ARG 85 1HH1 ARG 85 -10.723 -0.248 -0.248 640 1HH2 ARG 85 1HH2 ARG 85 -9.588 -1.521 -1.521 641 2HH2 ARG 85 2HH2 ARG 85 -10.533 -0.272 -0.272 642 H MET 86 H MET 86 -6.977 -1.176 -1.176 643 HA MET 86 HA MET 86 -7.113 1.501 1.501 644 1HB MET 86 2HB MET 86 -8.165 -0.270 -0.270 645 2HB MET 86 1HB MET 86 -6.609 -0.751 -0.751 646 1HG MET 86 2HG MET 86 -6.494 1.845 1.845 647 2HG MET 86 1HG MET 86 -8.218 1.616 1.616 648 1HE MET 86 2HE MET 86 -9.375 -0.124 -0.124 649 2HE MET 86 1HE MET 86 -8.374 -1.572 -1.572 650 3HE MET 86 3HE MET 86 -9.026 -0.712 -0.712 651 H VAL 87 H VAL 87 -4.330 -0.579 -0.579 652 HA VAL 87 HA VAL 87 -2.682 1.367 1.367 653 HB VAL 87 HB VAL 87 -2.413 -1.377 -1.377 654 1HG1 VAL 87 2HG1 VAL 87 -0.227 0.237 0.237 655 2HG1 VAL 87 1HG1 VAL 87 -0.121 -1.485 -1.485 656 3HG1 VAL 87 3HG1 VAL 87 -0.177 -0.327 -0.327 657 1HG2 VAL 87 1HG2 VAL 87 -3.641 -1.264 -1.264 658 2HG2 VAL 87 3HG2 VAL 87 -2.147 -2.121 -2.121 659 3HG2 VAL 87 2HG2 VAL 87 -2.359 -0.467 -0.467 660 H ALA 88 H ALA 88 -3.008 -0.158 -0.158 661 HA ALA 88 HA ALA 88 -0.669 0.798 0.798 662 1HB ALA 88 3HB ALA 88 -3.460 0.288 0.288 663 2HB ALA 88 2HB ALA 88 -1.979 0.353 0.353 664 3HB ALA 88 1HB ALA 88 -2.209 -0.886 -0.886 665 H TYR 89 H TYR 89 -3.908 2.296 2.296 666 HA TYR 89 HA TYR 89 -2.882 4.775 4.775 667 1HB TYR 89 2HB TYR 89 -5.069 5.562 5.562 668 2HB TYR 89 1HB TYR 89 -5.427 3.843 3.843 669 HD1 TYR 89 HD1 TYR 89 -5.382 7.002 7.002 670 HD2 TYR 89 HD2 TYR 89 -6.218 2.823 2.823 671 HE1 TYR 89 HE1 TYR 89 -6.473 7.350 7.350 672 HE2 TYR 89 HE2 TYR 89 -7.319 3.242 3.242 673 HH TYR 89 HH TYR 89 -7.015 5.201 5.201 674 H LEU 90 H LEU 90 -3.799 3.877 3.877 675 HA LEU 90 HA LEU 90 -3.256 6.270 6.270 676 1HB LEU 90 2HB LEU 90 -4.402 4.394 4.394 677 2HB LEU 90 1HB LEU 90 -3.015 3.363 3.363 678 HG LEU 90 HG LEU 90 -3.486 3.959 3.959 679 1HD1 LEU 90 2HD1 LEU 90 -1.201 3.248 3.248 680 2HD1 LEU 90 1HD1 LEU 90 -0.697 4.880 4.880 681 3HD1 LEU 90 3HD1 LEU 90 -1.164 4.480 4.480 682 1HD2 LEU 90 1HD2 LEU 90 -2.741 6.780 6.780 683 2HD2 LEU 90 3HD2 LEU 90 -4.292 6.210 6.210 684 3HD2 LEU 90 2HD2 LEU 90 -2.908 6.235 6.235 685 H SER 91 H SER 91 -1.110 3.501 3.501 686 HA SER 91 HA SER 91 1.195 4.800 4.800 687 1HB SER 91 2HB SER 91 2.616 3.102 3.102 688 2HB SER 91 1HB SER 91 1.125 2.320 2.320 689 HG SER 91 HG SER 91 0.415 2.271 2.271 690 H ALA 92 H ALA 92 0.224 4.692 4.692 691 HA ALA 92 HA ALA 92 2.359 6.068 6.068 692 1HB ALA 92 1HB ALA 92 0.410 5.131 5.131 693 2HB ALA 92 3HB ALA 92 -0.631 6.396 6.396 694 3HB ALA 92 2HB ALA 92 0.700 6.810 6.810 695 H SER 93 H SER 93 -0.628 7.456 7.456 696 HA SER 93 HA SER 93 -0.045 10.185 10.185 697 1HB SER 93 2HB SER 93 -2.203 9.095 9.095 698 2HB SER 93 1HB SER 93 -1.344 8.808 8.808 699 HG SER 93 HG SER 93 -2.502 11.059 11.059 700 H LEU 94 H LEU 94 0.601 8.122 8.122 701 HA LEU 94 HA LEU 94 2.096 9.650 9.650 702 1HB LEU 94 2HB LEU 94 1.735 6.780 6.780 703 2HB LEU 94 1HB LEU 94 3.272 7.054 7.054 704 HG LEU 94 HG LEU 94 1.909 8.168 8.168 705 1HD1 LEU 94 2HD1 LEU 94 -0.411 6.804 6.804 706 2HD1 LEU 94 1HD1 LEU 94 -0.477 7.481 7.481 707 3HD1 LEU 94 3HD1 LEU 94 -0.231 8.531 8.531 708 1HD2 LEU 94 1HD2 LEU 94 1.469 5.198 5.198 709 2HD2 LEU 94 3HD2 LEU 94 2.880 5.880 5.880 710 3HD2 LEU 94 2HD2 LEU 94 1.321 5.945 5.945 711 H THR 95 H THR 95 3.092 7.978 7.978 712 HA THR 95 HA THR 95 5.906 8.549 8.549 713 HB THR 95 HB THR 95 4.329 7.630 7.630 714 HG1 THR 95 HG1 THR 95 4.392 6.240 6.240 715 1HG2 THR 95 1HG2 THR 95 7.353 7.753 7.753 716 2HG2 THR 95 3HG2 THR 95 6.747 7.173 7.173 717 3HG2 THR 95 2HG2 THR 95 6.684 8.871 8.871 718 H ASN 96 H ASN 96 3.546 10.065 10.065 719 HA ASN 96 HA ASN 96 5.508 11.901 11.901 720 1HB ASN 96 2HB ASN 96 3.340 13.565 13.565 721 2HB ASN 96 1HB ASN 96 3.508 12.251 12.251 722 1HD2 ASN 96 2HD2 ASN 96 0.539 12.184 12.184 723 2HD2 ASN 96 1HD2 ASN 96 1.577 13.524 13.524 724 H ILE 97 H ILE 97 3.479 12.036 12.036 725 HA ILE 97 HA ILE 97 4.210 14.584 14.584 726 HB ILE 97 HB ILE 97 3.527 11.939 11.939 727 1HG1 ILE 97 2HG1 ILE 97 1.803 14.352 14.352 728 2HG1 ILE 97 1HG1 ILE 97 1.894 12.970 12.970 729 1HG2 ILE 97 1HG2 ILE 97 4.569 13.554 13.554 730 2HG2 ILE 97 3HG2 ILE 97 3.373 14.758 14.758 731 3HG2 ILE 97 2HG2 ILE 97 2.876 13.271 13.271 732 1HD1 ILE 97 3HD1 ILE 97 1.100 11.495 11.495 733 2HD1 ILE 97 2HD1 ILE 97 0.905 12.903 12.903 734 3HD1 ILE 97 1HD1 ILE 97 -0.058 12.725 12.725 735 H THR 98 H THR 98 5.561 11.474 11.474 736 HA THR 98 HA THR 98 7.661 11.883 11.883 737 HB THR 98 HB THR 98 7.743 10.216 10.216 738 HG1 THR 98 HG1 THR 98 6.257 9.576 9.576 739 1HG2 THR 98 3HG2 THR 98 10.120 10.495 10.495 740 2HG2 THR 98 2HG2 THR 98 9.569 9.822 9.822 741 3HG2 THR 98 1HG2 THR 98 9.484 8.866 8.866 742 H ARG 99 H ARG 99 8.007 12.420 12.420 743 HA ARG 99 HA ARG 99 10.670 13.506 13.506 744 1HB ARG 99 2HB ARG 99 8.612 13.897 13.897 745 2HB ARG 99 1HB ARG 99 10.347 14.118 14.118 746 1HG ARG 99 2HG ARG 99 10.483 11.588 11.588 747 2HG ARG 99 1HG ARG 99 8.783 11.522 11.522 748 1HD ARG 99 2HD ARG 99 10.034 10.759 10.759 749 2HD ARG 99 1HD ARG 99 9.378 12.311 12.311 750 HE ARG 99 HE ARG 99 12.192 11.705 11.705 751 1HH1 ARG 99 2HH1 ARG 99 9.901 13.950 13.950 752 2HH1 ARG 99 1HH1 ARG 99 11.060 15.061 15.061 753 1HH2 ARG 99 1HH2 ARG 99 13.790 13.126 13.126 754 2HH2 ARG 99 2HH2 ARG 99 13.351 14.569 14.569 755 H ASP 100 H ASP 100 7.629 15.144 15.144 756 HA ASP 100 HA ASP 100 8.444 17.754 17.754 757 1HB ASP 100 2HB ASP 100 5.836 16.533 16.533 758 2HB ASP 100 1HB ASP 100 6.076 18.259 18.259 759 H GLN 101 H GLN 101 7.201 15.934 15.934 760 HA GLN 101 HA GLN 101 7.619 17.922 17.922 761 1HB GLN 101 2HB GLN 101 7.379 14.873 14.873 762 2HB GLN 101 1HB GLN 101 7.549 15.712 15.712 763 1HG GLN 101 2HG GLN 101 5.314 16.211 16.211 764 2HG GLN 101 1HG GLN 101 5.128 15.402 15.402 765 1HE2 GLN 101 2HE2 GLN 101 6.115 18.930 18.930 766 2HE2 GLN 101 1HE2 GLN 101 7.169 17.629 17.629 767 H LYS 102 H LYS 102 9.681 15.336 15.336 768 HA LYS 102 HA LYS 102 11.867 15.742 15.742 769 1HB LYS 102 2HB LYS 102 11.764 13.890 13.890 770 2HB LYS 102 1HB LYS 102 12.170 15.157 15.157 771 1HG LYS 102 2HG LYS 102 14.262 15.693 15.693 772 2HG LYS 102 1HG LYS 102 13.938 14.474 14.474 773 1HD LYS 102 2HD LYS 102 13.971 12.777 12.777 774 2HD LYS 102 1HD LYS 102 14.417 14.084 14.084 775 1HE LYS 102 2HE LYS 102 16.399 14.576 14.576 776 2HE LYS 102 1HE LYS 102 15.978 13.078 13.078 777 1HZ LYS 102 2HZ LYS 102 16.019 12.506 12.506 778 2HZ LYS 102 1HZ LYS 102 17.446 13.401 13.401 779 3HZ LYS 102 3HZ LYS 102 17.105 11.974 11.974 780 H VAL 103 H VAL 103 10.733 17.471 17.471 781 HA VAL 103 HA VAL 103 13.110 19.294 19.294 782 HB VAL 103 HB VAL 103 10.767 19.040 19.040 783 1HG1 VAL 103 3HG1 VAL 103 13.404 20.541 20.541 784 2HG1 VAL 103 2HG1 VAL 103 12.193 20.321 20.321 785 3HG1 VAL 103 1HG1 VAL 103 11.818 21.272 21.272 786 1HG2 VAL 103 1HG2 VAL 103 13.615 17.938 17.938 787 2HG2 VAL 103 3HG2 VAL 103 12.163 16.989 16.989 788 3HG2 VAL 103 2HG2 VAL 103 12.402 17.816 17.816 789 H LEU 104 H LEU 104 9.943 19.213 19.213 790 HA LEU 104 HA LEU 104 9.629 22.133 22.133 791 1HB LEU 104 2HB LEU 104 7.870 19.787 19.787 792 2HB LEU 104 1HB LEU 104 7.478 20.942 20.942 793 HG LEU 104 HG LEU 104 6.137 21.194 21.194 794 1HD1 LEU 104 2HD1 LEU 104 7.988 23.557 23.557 795 2HD1 LEU 104 1HD1 LEU 104 6.456 23.659 23.659 796 3HD1 LEU 104 3HD1 LEU 104 6.504 23.206 23.206 797 1HD2 LEU 104 1HD2 LEU 104 7.921 20.506 20.506 798 2HD2 LEU 104 3HD2 LEU 104 7.233 22.056 22.056 799 3HD2 LEU 104 2HD2 LEU 104 8.800 21.982 21.982 800 H ASN 105 H ASN 105 10.246 19.576 19.576 801 HA ASN 105 HA ASN 105 10.823 21.930 21.930 802 1HB ASN 105 2HB ASN 105 8.512 21.481 21.481 803 2HB ASN 105 1HB ASN 105 8.776 19.795 19.795 804 1HD2 ASN 105 2HD2 ASN 105 8.876 22.219 22.219 805 2HD2 ASN 105 1HD2 ASN 105 8.342 22.774 22.774 806 HA PRO 106 HA PRO 106 14.460 20.020 20.020 807 1HB PRO 106 2HB PRO 106 14.662 21.268 21.268 808 2HB PRO 106 1HB PRO 106 15.057 22.056 22.056 809 1HG PRO 106 2HG PRO 106 12.400 22.141 22.141 810 2HG PRO 106 1HG PRO 106 13.336 23.498 23.498 811 1HD PRO 106 2HD PRO 106 11.305 22.591 22.591 812 2HD PRO 106 1HD PRO 106 12.816 22.902 22.902 813 H SER 107 H SER 107 11.568 19.729 19.729 814 HA SER 107 HA SER 107 12.429 17.453 17.453 815 1HB SER 107 2HB SER 107 10.986 19.112 19.112 816 2HB SER 107 1HB SER 107 9.763 19.061 19.061 817 HG SER 107 HG SER 107 9.965 17.435 17.435 818 H ALA 108 H ALA 108 9.977 18.449 18.449 819 HA ALA 108 HA ALA 108 8.695 16.089 16.089 820 1HB ALA 108 2HB ALA 108 9.786 17.971 17.971 821 2HB ALA 108 1HB ALA 108 8.650 16.661 16.661 822 3HB ALA 108 3HB ALA 108 8.173 17.978 17.978 823 H VAL 109 H VAL 109 11.979 16.990 16.990 824 HA VAL 109 HA VAL 109 12.564 14.899 14.899 825 HB VAL 109 HB VAL 109 14.954 14.969 14.969 826 1HG1 VAL 109 1HG1 VAL 109 13.680 17.731 17.731 827 2HG1 VAL 109 3HG1 VAL 109 15.399 17.393 17.393 828 3HG1 VAL 109 2HG1 VAL 109 14.303 16.723 16.723 829 1HG2 VAL 109 2HG2 VAL 109 13.731 16.759 16.759 830 2HG2 VAL 109 1HG2 VAL 109 14.465 15.200 15.200 831 3HG2 VAL 109 3HG2 VAL 109 15.449 16.539 16.539 832 H SER 110 H SER 110 12.490 14.839 14.839 833 HA SER 110 HA SER 110 13.220 12.058 12.058 834 1HB SER 110 2HB SER 110 11.569 13.822 13.822 835 2HB SER 110 1HB SER 110 12.575 12.428 12.428 836 HG SER 110 HG SER 110 14.316 13.657 13.657 837 H LEU 111 H LEU 111 10.218 13.811 13.811 838 HA LEU 111 HA LEU 111 8.297 11.834 11.834 839 1HB LEU 111 2HB LEU 111 7.508 14.057 14.057 840 2HB LEU 111 1HB LEU 111 8.220 14.211 14.211 841 HG LEU 111 HG LEU 111 5.851 12.392 12.392 842 1HD1 LEU 111 1HD1 LEU 111 5.443 14.820 14.820 843 2HD1 LEU 111 3HD1 LEU 111 6.119 15.250 15.250 844 3HD1 LEU 111 2HD1 LEU 111 4.615 14.344 14.344 845 1HD2 LEU 111 2HD2 LEU 111 7.011 13.586 13.586 846 2HD2 LEU 111 1HD2 LEU 111 6.999 11.876 11.876 847 3HD2 LEU 111 3HD2 LEU 111 5.510 12.700 12.700 848 H HIS 112 H HIS 112 9.613 12.734 12.734 849 HA HIS 112 HA HIS 112 8.318 10.669 10.669 850 1HB HIS 112 2HB HIS 112 9.516 11.534 11.534 851 2HB HIS 112 1HB HIS 112 9.822 12.803 12.803 852 HD1 HIS 112 HD1 HIS 112 11.760 9.552 9.552 853 HD2 HIS 112 HD2 HIS 112 12.118 13.597 13.597 854 HE1 HIS 112 HE1 HIS 112 14.179 10.023 10.023 855 H SER 113 H SER 113 11.727 10.594 10.594 856 HA SER 113 HA SER 113 12.478 8.020 8.020 857 1HB SER 113 2HB SER 113 13.833 9.439 9.439 858 2HB SER 113 1HB SER 113 12.656 9.228 9.228 859 HG SER 113 HG SER 113 13.408 7.265 7.265 860 H LYS 114 H LYS 114 10.549 8.687 8.687 861 HA LYS 114 HA LYS 114 9.887 6.020 6.020 862 1HB LYS 114 2HB LYS 114 9.809 8.118 8.118 863 2HB LYS 114 1HB LYS 114 8.391 8.632 8.632 864 1HG LYS 114 2HG LYS 114 6.963 7.229 7.229 865 2HG LYS 114 1HG LYS 114 8.166 5.963 5.963 866 1HD LYS 114 2HD LYS 114 7.620 7.092 7.092 867 2HD LYS 114 1HD LYS 114 9.317 7.196 7.196 868 1HE LYS 114 2HE LYS 114 8.960 9.546 9.546 869 2HE LYS 114 1HE LYS 114 7.263 9.422 9.422 870 1HZ LYS 114 1HZ LYS 114 8.757 8.713 8.713 871 2HZ LYS 114 3HZ LYS 114 9.369 10.175 10.175 872 3HZ LYS 114 2HZ LYS 114 7.716 10.040 10.040 873 H LEU 115 H LEU 115 8.185 8.290 8.290 874 HA LEU 115 HA LEU 115 5.848 6.650 6.650 875 1HB LEU 115 2HB LEU 115 6.362 9.281 9.281 876 2HB LEU 115 1HB LEU 115 6.925 8.995 8.995 877 HG LEU 115 HG LEU 115 4.153 8.065 8.065 878 1HD1 LEU 115 1HD1 LEU 115 4.345 10.569 10.569 879 2HD1 LEU 115 3HD1 LEU 115 4.876 10.839 10.839 880 3HD1 LEU 115 2HD1 LEU 115 3.251 10.256 10.256 881 1HD2 LEU 115 3HD2 LEU 115 5.496 8.970 8.970 882 2HD2 LEU 115 2HD2 LEU 115 5.065 7.316 7.316 883 3HD2 LEU 115 1HD2 LEU 115 3.826 8.536 8.536 884 H ASN 116 H ASN 116 9.080 6.988 6.988 885 HA ASN 116 HA ASN 116 8.649 5.795 5.795 886 1HB ASN 116 2HB ASN 116 11.091 5.435 5.435 887 2HB ASN 116 1HB ASN 116 10.957 4.759 4.759 888 1HD2 ASN 116 2HD2 ASN 116 12.090 7.597 7.597 889 2HD2 ASN 116 1HD2 ASN 116 11.732 5.932 5.932 890 H ALA 117 H ALA 117 9.342 4.546 4.546 891 HA ALA 117 HA ALA 117 9.448 1.802 1.802 892 1HB ALA 117 3HB ALA 117 9.947 2.437 2.437 893 2HB ALA 117 2HB ALA 117 8.240 2.818 2.818 894 3HB ALA 117 1HB ALA 117 8.731 1.171 1.171 895 H THR 118 H THR 118 6.589 3.474 3.474 896 HA THR 118 HA THR 118 4.737 1.471 1.471 897 HB THR 118 HB THR 118 3.179 3.760 3.760 898 HG1 THR 118 HG1 THR 118 5.322 4.740 4.740 899 1HG2 THR 118 1HG2 THR 118 4.548 3.580 3.580 900 2HG2 THR 118 3HG2 THR 118 3.046 4.405 4.405 901 3HG2 THR 118 2HG2 THR 118 3.103 2.646 2.646 902 H ILE 119 H ILE 119 5.964 3.522 3.522 903 HA ILE 119 HA ILE 119 4.206 2.500 2.500 904 HB ILE 119 HB ILE 119 6.912 3.971 3.971 905 1HG1 ILE 119 2HG1 ILE 119 4.164 5.192 5.192 906 2HG1 ILE 119 1HG1 ILE 119 4.860 5.156 5.156 907 1HG2 ILE 119 1HG2 ILE 119 6.401 2.823 2.823 908 2HG2 ILE 119 3HG2 ILE 119 4.833 3.605 3.605 909 3HG2 ILE 119 2HG2 ILE 119 6.302 4.562 4.562 910 1HD1 ILE 119 2HD1 ILE 119 6.254 6.426 6.426 911 2HD1 ILE 119 1HD1 ILE 119 5.372 7.307 7.307 912 3HD1 ILE 119 3HD1 ILE 119 6.816 6.436 6.436 913 H ASP 120 H ASP 120 7.645 2.098 2.098 914 HA ASP 120 HA ASP 120 8.331 0.078 0.078 915 1HB ASP 120 2HB ASP 120 9.873 1.293 1.293 916 2HB ASP 120 1HB ASP 120 9.306 0.225 0.225 917 H VAL 121 H VAL 121 7.335 -0.467 -0.467 918 HA VAL 121 HA VAL 121 7.175 -3.287 -3.287 919 HB VAL 121 HB VAL 121 5.988 -2.928 -2.928 920 1HG1 VAL 121 2HG1 VAL 121 8.066 -0.775 -0.775 921 2HG1 VAL 121 1HG1 VAL 121 7.473 -1.407 -1.407 922 3HG1 VAL 121 3HG1 VAL 121 8.352 -2.445 -2.445 923 1HG2 VAL 121 3HG2 VAL 121 5.481 -0.192 -0.192 924 2HG2 VAL 121 2HG2 VAL 121 4.274 -1.390 -1.390 925 3HG2 VAL 121 1HG2 VAL 121 5.224 -0.661 -0.661 926 H MET 122 H MET 122 4.793 -0.813 -0.813 927 HA MET 122 HA MET 122 2.660 -2.689 -2.689 928 1HB MET 122 2HB MET 122 3.134 0.238 0.238 929 2HB MET 122 1HB MET 122 1.846 -0.559 -0.559 930 1HG MET 122 2HG MET 122 0.965 -1.396 -1.396 931 2HG MET 122 1HG MET 122 2.281 -0.559 -0.559 932 1HE MET 122 1HE MET 122 2.117 1.216 1.216 933 2HE MET 122 3HE MET 122 0.964 2.517 2.517 934 3HE MET 122 2HE MET 122 0.475 0.959 0.959 935 H ARG 123 H ARG 123 5.058 -1.199 -1.199 936 HA ARG 123 HA ARG 123 4.103 -2.086 -2.086 937 1HB ARG 123 2HB ARG 123 6.108 -0.490 -0.490 938 2HB ARG 123 1HB ARG 123 7.040 -1.960 -1.960 939 1HG ARG 123 2HG ARG 123 6.892 -2.430 -2.430 940 2HG ARG 123 1HG ARG 123 5.775 -1.099 -1.099 941 1HD ARG 123 2HD ARG 123 7.671 0.486 0.486 942 2HD ARG 123 1HD ARG 123 8.694 -0.907 -0.907 943 HE ARG 123 HE ARG 123 8.823 -0.951 -0.951 944 1HH1 ARG 123 2HH1 ARG 123 6.594 1.385 1.385 945 2HH1 ARG 123 1HH1 ARG 123 6.478 2.292 2.292 946 1HH2 ARG 123 1HH2 ARG 123 8.749 0.133 0.133 947 2HH2 ARG 123 2HH2 ARG 123 7.748 1.497 1.497 948 H GLY 124 H GLY 124 6.226 -3.550 -3.550 949 1HA GLY 124 2HA GLY 124 6.456 -6.087 -6.087 950 2HA GLY 124 1HA GLY 124 6.722 -5.830 -5.830 951 H LEU 125 H LEU 125 4.257 -4.897 -4.897 952 HA LEU 125 HA LEU 125 2.737 -7.257 -7.257 953 1HB LEU 125 2HB LEU 125 2.467 -5.138 -5.138 954 2HB LEU 125 1HB LEU 125 1.758 -4.355 -4.355 955 HG LEU 125 HG LEU 125 0.446 -6.861 -6.861 956 1HD1 LEU 125 3HD1 LEU 125 -0.023 -4.029 -4.029 957 2HD1 LEU 125 2HD1 LEU 125 -0.976 -5.459 -5.459 958 3HD1 LEU 125 1HD1 LEU 125 0.679 -5.333 -5.333 959 1HD2 LEU 125 3HD2 LEU 125 -0.622 -4.346 -4.346 960 2HD2 LEU 125 2HD2 LEU 125 -0.384 -5.888 -5.888 961 3HD2 LEU 125 1HD2 LEU 125 -1.551 -5.763 -5.763 962 H LEU 126 H LEU 126 1.834 -4.606 -4.606 963 HA LEU 126 HA LEU 126 -0.190 -5.892 -5.892 964 1HB LEU 126 2HB LEU 126 1.807 -3.804 -3.804 965 2HB LEU 126 1HB LEU 126 0.885 -4.493 -4.493 966 HG LEU 126 HG LEU 126 -1.158 -4.153 -4.153 967 1HD1 LEU 126 1HD1 LEU 126 0.206 -3.329 -3.329 968 2HD1 LEU 126 3HD1 LEU 126 0.709 -1.978 -1.978 969 3HD1 LEU 126 2HD1 LEU 126 -0.982 -2.221 -2.221 970 1HD2 LEU 126 2HD2 LEU 126 -1.136 -2.967 -2.967 971 2HD2 LEU 126 1HD2 LEU 126 -1.782 -2.146 -2.146 972 3HD2 LEU 126 3HD2 LEU 126 -0.193 -1.710 -1.710 973 H SER 127 H SER 127 3.242 -6.044 -6.044 974 HA SER 127 HA SER 127 2.962 -7.821 -7.821 975 1HB SER 127 2HB SER 127 5.206 -7.719 -7.719 976 2HB SER 127 1HB SER 127 5.358 -8.441 -8.441 977 HG SER 127 HG SER 127 5.136 -5.760 -5.760 978 H ASN 128 H ASN 128 3.517 -8.659 -8.659 979 HA ASN 128 HA ASN 128 3.165 -11.442 -11.442 980 1HB ASN 128 2HB ASN 128 2.339 -9.565 -9.565 981 2HB ASN 128 1HB ASN 128 2.361 -11.308 -11.308 982 1HD2 ASN 128 2HD2 ASN 128 5.811 -9.400 -9.400 983 2HD2 ASN 128 1HD2 ASN 128 4.352 -8.549 -8.549 984 H VAL 129 H VAL 129 0.619 -8.868 -8.868 985 HA VAL 129 HA VAL 129 -1.465 -10.848 -10.848 986 HB VAL 129 HB VAL 129 -1.262 -7.875 -7.875 987 1HG1 VAL 129 1HG1 VAL 129 -3.764 -9.547 -9.547 988 2HG1 VAL 129 3HG1 VAL 129 -3.820 -7.842 -7.842 989 3HG1 VAL 129 2HG1 VAL 129 -3.042 -8.511 -8.511 990 1HG2 VAL 129 1HG2 VAL 129 -2.831 -9.622 -9.622 991 2HG2 VAL 129 3HG2 VAL 129 -1.338 -8.763 -8.763 992 3HG2 VAL 129 2HG2 VAL 129 -2.815 -7.861 -7.861 993 H LEU 130 H LEU 130 -0.831 -8.581 -8.581 994 HA LEU 130 HA LEU 130 -2.236 -9.893 -9.893 995 1HB LEU 130 2HB LEU 130 -0.331 -7.749 -7.749 996 2HB LEU 130 1HB LEU 130 0.209 -8.655 -8.655 997 HG LEU 130 HG LEU 130 -1.462 -6.773 -6.773 998 1HD1 LEU 130 1HD1 LEU 130 -2.302 -9.601 -9.601 999 2HD1 LEU 130 3HD1 LEU 130 -2.828 -8.125 -8.125 1000 3HD1 LEU 130 2HD1 LEU 130 -1.139 -8.555 -8.555 1001 1HD2 LEU 130 2HD2 LEU 130 -3.031 -7.179 -7.179 1002 2HD2 LEU 130 1HD2 LEU 130 -3.814 -7.104 -7.104 1003 3HD2 LEU 130 3HD2 LEU 130 -3.607 -8.640 -8.640 1004 H CYS 131 H CYS 131 0.796 -10.879 -10.879 1005 HA CYS 131 HA CYS 131 1.377 -12.774 -12.774 1006 1HB CYS 131 2HB CYS 131 3.164 -11.681 -11.681 1007 2HB CYS 131 1HB CYS 131 2.579 -12.389 -12.389 1008 H ARG 132 H ARG 132 -0.045 -12.847 -12.847 1009 HA ARG 132 HA ARG 132 -0.343 -15.766 -15.766 1010 1HB ARG 132 2HB ARG 132 -0.082 -14.301 -14.301 1011 2HB ARG 132 1HB ARG 132 -1.678 -13.676 -13.676 1012 1HG ARG 132 2HG ARG 132 -1.258 -16.663 -16.663 1013 2HG ARG 132 1HG ARG 132 -1.262 -15.640 -15.640 1014 1HD ARG 132 2HD ARG 132 -3.473 -16.191 -16.191 1015 2HD ARG 132 1HD ARG 132 -3.644 -14.787 -14.787 1016 HE ARG 132 HE ARG 132 -3.136 -16.533 -16.533 1017 1HH1 ARG 132 2HH1 ARG 132 -5.086 -17.090 -17.090 1018 2HH1 ARG 132 1HH1 ARG 132 -6.062 -18.267 -18.267 1019 1HH2 ARG 132 1HH2 ARG 132 -4.328 -18.045 -18.045 1020 2HH2 ARG 132 2HH2 ARG 132 -5.588 -18.870 -18.870 1021 H LEU 133 H LEU 133 -2.436 -12.944 -12.944 1022 HA LEU 133 HA LEU 133 -4.276 -14.532 -14.532 1023 1HB LEU 133 2HB LEU 133 -6.222 -14.042 -14.042 1024 2HB LEU 133 1HB LEU 133 -5.002 -14.561 -14.561 1025 HG LEU 133 HG LEU 133 -6.202 -13.001 -13.001 1026 1HD1 LEU 133 1HD1 LEU 133 -3.799 -12.750 -12.750 1027 2HD1 LEU 133 3HD1 LEU 133 -3.760 -11.544 -11.544 1028 3HD1 LEU 133 2HD1 LEU 133 -4.667 -11.242 -11.242 1029 1HD2 LEU 133 3HD2 LEU 133 -7.399 -11.901 -11.901 1030 2HD2 LEU 133 2HD2 LEU 133 -6.691 -10.724 -10.724 1031 3HD2 LEU 133 1HD2 LEU 133 -5.937 -11.037 -11.037 1032 H CYS 134 H CYS 134 -5.025 -13.236 -13.236 1033 HA CYS 134 HA CYS 134 -4.202 -10.384 -10.384 1034 1HB CYS 134 2HB CYS 134 -5.140 -10.530 -10.530 1035 2HB CYS 134 1HB CYS 134 -3.773 -11.570 -11.570 1036 H ASN 135 H ASN 135 -7.222 -11.695 -11.695 1037 HA ASN 135 HA ASN 135 -8.679 -10.058 -10.058 1038 1HB ASN 135 2HB ASN 135 -10.546 -10.014 -10.014 1039 2HB ASN 135 1HB ASN 135 -9.063 -9.609 -9.609 1040 1HD2 ASN 135 2HD2 ASN 135 -11.136 -12.406 -12.406 1041 2HD2 ASN 135 1HD2 ASN 135 -11.716 -11.076 -11.076 1042 H LYS 136 H LYS 136 -8.725 -13.317 -13.317 1043 HA LYS 136 HA LYS 136 -9.996 -14.351 -14.351 1044 1HB LYS 136 2HB LYS 136 -10.792 -15.230 -15.230 1045 2HB LYS 136 1HB LYS 136 -11.487 -15.776 -15.776 1046 1HG LYS 136 2HG LYS 136 -12.394 -13.422 -13.422 1047 2HG LYS 136 1HG LYS 136 -11.774 -13.016 -13.016 1048 1HD LYS 136 2HD LYS 136 -13.073 -14.972 -14.972 1049 2HD LYS 136 1HD LYS 136 -13.771 -15.243 -15.243 1050 1HE LYS 136 2HE LYS 136 -14.934 -13.145 -13.145 1051 2HE LYS 136 1HE LYS 136 -14.078 -12.582 -12.582 1052 1HZ LYS 136 2HZ LYS 136 -15.333 -15.066 -15.066 1053 2HZ LYS 136 1HZ LYS 136 -16.463 -14.047 -14.047 1054 3HZ LYS 136 3HZ LYS 136 -15.641 -13.538 -13.538 1055 H TYR 137 H TYR 137 -7.340 -14.217 -14.217 1056 HA TYR 137 HA TYR 137 -5.490 -15.636 -15.636 1057 1HB TYR 137 2HB TYR 137 -7.258 -18.056 -18.056 1058 2HB TYR 137 1HB TYR 137 -5.729 -17.824 -17.824 1059 HD1 TYR 137 HD2 TYR 137 -5.708 -16.135 -16.135 1060 HD2 TYR 137 HD1 TYR 137 -9.276 -17.697 -17.697 1061 HE1 TYR 137 HE2 TYR 137 -6.895 -15.600 -15.600 1062 HE2 TYR 137 HE1 TYR 137 -10.477 -17.192 -17.192 1063 HH TYR 137 HH TYR 137 -8.885 -16.464 -16.464 1064 H ARG 138 H ARG 138 -7.998 -16.762 -16.762 1065 HA ARG 138 HA ARG 138 -5.879 -16.973 -16.973 1066 1HB ARG 138 2HB ARG 138 -7.005 -19.224 -19.224 1067 2HB ARG 138 1HB ARG 138 -6.083 -19.255 -19.255 1068 1HG ARG 138 2HG ARG 138 -8.151 -19.032 -19.032 1069 2HG ARG 138 1HG ARG 138 -9.117 -18.793 -18.793 1070 1HD ARG 138 2HD ARG 138 -7.576 -21.376 -21.376 1071 2HD ARG 138 1HD ARG 138 -9.261 -21.101 -21.101 1072 HE ARG 138 HE ARG 138 -9.789 -21.045 -21.045 1073 1HH1 ARG 138 2HH1 ARG 138 -6.437 -21.448 -21.448 1074 2HH1 ARG 138 1HH1 ARG 138 -6.057 -22.011 -22.011 1075 1HH2 ARG 138 1HH2 ARG 138 -9.426 -21.760 -21.760 1076 2HH2 ARG 138 2HH2 ARG 138 -7.849 -22.197 -22.197 1077 H VAL 139 H VAL 139 -7.250 -14.896 -14.896 1078 HA VAL 139 HA VAL 139 -8.855 -15.430 -15.430 1079 HB VAL 139 HB VAL 139 -9.815 -13.515 -13.515 1080 1HG1 VAL 139 1HG1 VAL 139 -10.543 -12.940 -12.940 1081 2HG1 VAL 139 3HG1 VAL 139 -11.202 -14.554 -14.554 1082 3HG1 VAL 139 2HG1 VAL 139 -11.914 -13.445 -13.445 1083 1HG2 VAL 139 2HG2 VAL 139 -10.851 -16.283 -16.283 1084 2HG2 VAL 139 1HG2 VAL 139 -10.000 -15.810 -15.810 1085 3HG2 VAL 139 3HG2 VAL 139 -11.598 -15.160 -15.160 1086 H GLY 140 H GLY 140 -7.957 -12.903 -12.903 1087 1HA GLY 140 2HA GLY 140 -6.134 -11.273 -11.273 1088 2HA GLY 140 1HA GLY 140 -6.217 -11.677 -11.677 1089 H HIS 141 H HIS 141 -8.654 -10.558 -10.558 1090 HA HIS 141 HA HIS 141 -9.054 -8.115 -8.115 1091 1HB HIS 141 2HB HIS 141 -10.755 -10.084 -10.084 1092 2HB HIS 141 1HB HIS 141 -11.404 -9.651 -9.651 1093 HD1 HIS 141 HD1 HIS 141 -13.208 -9.214 -9.214 1094 HD2 HIS 141 HD2 HIS 141 -10.704 -6.245 -6.245 1095 HE1 HIS 141 HE1 HIS 141 -14.164 -7.083 -7.083 1096 H VAL 142 H VAL 142 -7.518 -7.887 -7.887 1097 HA VAL 142 HA VAL 142 -9.103 -7.165 -7.165 1098 HB VAL 142 HB VAL 142 -7.184 -8.301 -8.301 1099 1HG1 VAL 142 1HG1 VAL 142 -5.479 -6.782 -6.782 1100 2HG1 VAL 142 3HG1 VAL 142 -4.910 -8.008 -8.008 1101 3HG1 VAL 142 2HG1 VAL 142 -5.999 -8.456 -8.456 1102 1HG2 VAL 142 3HG2 VAL 142 -7.309 -6.091 -6.091 1103 2HG2 VAL 142 2HG2 VAL 142 -5.685 -6.693 -6.693 1104 3HG2 VAL 142 1HG2 VAL 142 -6.177 -5.418 -5.418 1105 H ASP 143 H ASP 143 -7.146 -5.563 -5.563 1106 HA ASP 143 HA ASP 143 -6.951 -3.414 -3.414 1107 1HB ASP 143 2HB ASP 143 -9.422 -2.936 -2.936 1108 2HB ASP 143 1HB ASP 143 -8.842 -1.859 -1.859 1109 H VAL 144 H VAL 144 -5.793 -1.712 -1.712 1110 HA VAL 144 HA VAL 144 -5.390 -1.030 -1.030 1111 HB VAL 144 HB VAL 144 -3.144 -0.859 -0.859 1112 1HG1 VAL 144 2HG1 VAL 144 -3.152 -1.129 -1.129 1113 2HG1 VAL 144 1HG1 VAL 144 -1.711 -1.036 -1.036 1114 3HG1 VAL 144 3HG1 VAL 144 -2.807 0.329 0.329 1115 1HG2 VAL 144 2HG2 VAL 144 -3.828 -3.292 -3.292 1116 2HG2 VAL 144 1HG2 VAL 144 -3.906 -3.238 -3.238 1117 3HG2 VAL 144 3HG2 VAL 144 -2.358 -3.113 -3.113 1118 HA PRO 145 HA PRO 145 -6.156 2.996 2.996 1119 1HB PRO 145 2HB PRO 145 -8.576 3.687 3.687 1120 2HB PRO 145 1HB PRO 145 -8.351 2.419 2.419 1121 1HG PRO 145 2HG PRO 145 -8.797 2.114 2.114 1122 2HG PRO 145 1HG PRO 145 -9.649 1.301 1.301 1123 1HD PRO 145 2HD PRO 145 -7.431 0.149 0.149 1124 2HD PRO 145 1HD PRO 145 -7.853 -0.265 -0.265 1125 HA PRO 146 HA PRO 146 -4.720 4.950 4.950 1126 1HB PRO 146 2HB PRO 146 -3.265 6.934 6.934 1127 2HB PRO 146 1HB PRO 146 -2.606 5.343 5.343 1128 1HG PRO 146 2HG PRO 146 -3.957 6.282 6.282 1129 2HG PRO 146 1HG PRO 146 -2.381 5.496 5.496 1130 1HD PRO 146 2HD PRO 146 -4.476 3.985 3.985 1131 2HD PRO 146 1HD PRO 146 -3.400 3.366 3.366 1132 H VAL 147 H VAL 147 -6.378 6.122 6.122 1133 HA VAL 147 HA VAL 147 -7.554 8.430 8.430 1134 HB VAL 147 HB VAL 147 -9.218 6.731 6.731 1135 1HG1 VAL 147 1HG1 VAL 147 -8.202 5.267 5.267 1136 2HG1 VAL 147 3HG1 VAL 147 -8.613 6.435 6.435 1137 3HG1 VAL 147 2HG1 VAL 147 -9.879 5.602 5.602 1138 1HG2 VAL 147 3HG2 VAL 147 -10.080 8.990 8.990 1139 2HG2 VAL 147 2HG2 VAL 147 -10.936 7.736 7.736 1140 3HG2 VAL 147 1HG2 VAL 147 -9.710 8.684 8.684 1141 HA PRO 148 HA PRO 148 -5.790 10.256 10.256 1142 1HB PRO 148 2HB PRO 148 -4.215 12.093 12.093 1143 2HB PRO 148 1HB PRO 148 -3.910 10.378 10.378 1144 1HG PRO 148 2HG PRO 148 -5.241 12.400 12.400 1145 2HG PRO 148 1HG PRO 148 -4.069 11.158 11.158 1146 1HD PRO 148 2HD PRO 148 -6.943 10.824 10.824 1147 2HD PRO 148 1HD PRO 148 -5.723 9.541 9.541 1148 H ASP 149 H ASP 149 -7.242 12.408 12.408 1149 HA ASP 149 HA ASP 149 -7.847 14.688 14.688 1150 1HB ASP 149 2HB ASP 149 -9.608 13.182 13.182 1151 2HB ASP 149 1HB ASP 149 -10.260 13.013 13.013 1152 H HIS 150 H HIS 150 -6.938 15.469 15.469 1153 HA HIS 150 HA HIS 150 -8.377 15.972 15.972 1154 1HB HIS 150 2HB HIS 150 -6.009 16.541 16.541 1155 2HB HIS 150 1HB HIS 150 -6.028 14.886 14.886 1156 HD1 HIS 150 HD1 HIS 150 -5.517 18.175 18.175 1157 HD2 HIS 150 HD2 HIS 150 -3.782 14.506 14.506 1158 HE1 HIS 150 HE1 HIS 150 -3.507 18.178 18.178 1159 H SER 151 H SER 151 -8.865 17.024 17.024 1160 HA SER 151 HA SER 151 -7.715 19.745 19.745 1161 1HB SER 151 2HB SER 151 -9.863 18.671 18.671 1162 2HB SER 151 1HB SER 151 -8.509 19.758 19.758 1163 HG SER 151 HG SER 151 -8.609 17.042 17.042 1164 H ASP 152 H ASP 152 -8.945 19.454 19.454 1165 HA ASP 152 HA ASP 152 -11.610 20.771 20.771 1166 1HB ASP 152 2HB ASP 152 -12.222 19.723 19.723 1167 2HB ASP 152 1HB ASP 152 -11.739 18.522 18.522 1168 H LYS 153 H LYS 153 -8.656 20.717 20.717 1169 HA LYS 153 HA LYS 153 -9.161 23.547 23.547 1170 1HB LYS 153 2HB LYS 153 -7.733 21.343 21.343 1171 2HB LYS 153 1HB LYS 153 -8.064 22.947 22.947 1172 1HG LYS 153 2HG LYS 153 -10.330 21.059 21.059 1173 2HG LYS 153 1HG LYS 153 -9.515 20.960 20.960 1174 1HD LYS 153 2HD LYS 153 -11.271 22.353 22.353 1175 2HD LYS 153 1HD LYS 153 -10.020 23.509 23.509 1176 1HE LYS 153 2HE LYS 153 -12.172 24.246 24.246 1177 2HE LYS 153 1HE LYS 153 -10.988 24.010 24.010 1178 1HZ LYS 153 3HZ LYS 153 -12.295 21.544 21.544 1179 2HZ LYS 153 2HZ LYS 153 -13.493 22.755 22.755 1180 3HZ LYS 153 1HZ LYS 153 -12.311 22.561 22.561 1181 H GLU 154 H GLU 154 -7.148 24.880 24.880 1182 HA GLU 154 HA GLU 154 -5.229 23.954 23.954 1183 1HB GLU 154 2HB GLU 154 -5.479 26.611 26.611 1184 2HB GLU 154 1HB GLU 154 -4.349 26.298 26.298 1185 1HG GLU 154 2HG GLU 154 -6.117 26.044 26.044 1186 2HG GLU 154 1HG GLU 154 -7.356 25.957 25.957 1187 H VAL 155 H VAL 155 -4.052 25.960 25.960 1188 HA VAL 155 HA VAL 155 -1.503 24.895 24.895 1189 HB VAL 155 HB VAL 155 -3.128 26.078 26.078 1190 1HG1 VAL 155 1HG1 VAL 155 -0.144 26.116 26.116 1191 2HG1 VAL 155 3HG1 VAL 155 -0.934 26.933 26.933 1192 3HG1 VAL 155 2HG1 VAL 155 -0.940 25.188 25.188 1193 1HG2 VAL 155 3HG2 VAL 155 -1.576 27.572 27.572 1194 2HG2 VAL 155 2HG2 VAL 155 -3.319 27.606 27.606 1195 3HG2 VAL 155 1HG2 VAL 155 -2.309 28.318 28.318 1196 H PHE 156 H PHE 156 -4.371 23.687 23.687 1197 HA PHE 156 HA PHE 156 -3.359 21.799 21.799 1198 1HB PHE 156 2HB PHE 156 -6.115 21.829 21.829 1199 2HB PHE 156 1HB PHE 156 -5.691 21.302 21.302 1200 HD1 PHE 156 HD1 PHE 156 -5.075 22.980 22.980 1201 HD2 PHE 156 HD2 PHE 156 -6.450 24.154 24.154 1202 HE1 PHE 156 HE1 PHE 156 -5.524 25.245 25.245 1203 HE2 PHE 156 HE2 PHE 156 -6.900 26.408 26.408 1204 HZ PHE 156 HZ PHE 156 -6.431 26.957 26.957 1205 H GLN 157 H GLN 157 -4.999 21.520 21.520 1206 HA GLN 157 HA GLN 157 -4.524 18.739 18.739 1207 1HB GLN 157 2HB GLN 157 -4.684 18.918 18.918 1208 2HB GLN 157 1HB GLN 157 -5.838 20.026 20.026 1209 1HG GLN 157 2HG GLN 157 -4.392 21.921 21.921 1210 2HG GLN 157 1HG GLN 157 -3.127 20.825 20.825 1211 1HE2 GLN 157 2HE2 GLN 157 -4.597 20.698 20.698 1212 2HE2 GLN 157 1HE2 GLN 157 -3.183 20.640 20.640 1213 H LYS 158 H LYS 158 -2.314 21.357 21.357 1214 HA LYS 158 HA LYS 158 -0.262 19.600 19.600 1215 1HB LYS 158 2HB LYS 158 -0.237 22.460 22.460 1216 2HB LYS 158 1HB LYS 158 1.305 21.650 21.650 1217 1HG LYS 158 2HG LYS 158 0.768 21.150 21.150 1218 2HG LYS 158 1HG LYS 158 -0.577 22.276 22.276 1219 1HD LYS 158 2HD LYS 158 1.025 24.091 24.091 1220 2HD LYS 158 1HD LYS 158 2.340 22.941 22.941 1221 1HE LYS 158 2HE LYS 158 2.514 24.247 24.247 1222 2HE LYS 158 1HE LYS 158 2.102 22.591 22.591 1223 1HZ LYS 158 3HZ LYS 158 -0.272 24.060 24.060 1224 2HZ LYS 158 2HZ LYS 158 0.693 24.913 24.913 1225 3HZ LYS 158 1HZ LYS 158 0.275 23.295 23.295 1226 H LYS 159 H LYS 159 -0.954 20.581 20.581 1227 HA LYS 159 HA LYS 159 1.465 19.171 19.171 1228 1HB LYS 159 2HB LYS 159 -0.588 21.142 21.142 1229 2HB LYS 159 1HB LYS 159 0.468 20.382 20.382 1230 1HG LYS 159 2HG LYS 159 1.452 21.865 21.865 1231 2HG LYS 159 1HG LYS 159 1.140 22.726 22.726 1232 1HD LYS 159 2HD LYS 159 2.845 21.324 21.324 1233 2HD LYS 159 1HD LYS 159 3.190 20.476 20.476 1234 1HE LYS 159 2HE LYS 159 4.291 22.330 22.330 1235 2HE LYS 159 1HE LYS 159 3.440 23.496 23.496 1236 1HZ LYS 159 2HZ LYS 159 4.907 21.932 21.932 1237 2HZ LYS 159 1HZ LYS 159 5.991 22.324 22.324 1238 3HZ LYS 159 3HZ LYS 159 5.129 23.516 23.516 1239 H LYS 160 H LYS 160 -1.922 19.358 19.358 1240 HA LYS 160 HA LYS 160 -2.165 16.939 16.939 1241 1HB LYS 160 2HB LYS 160 -4.363 17.764 17.764 1242 2HB LYS 160 1HB LYS 160 -3.899 19.158 19.158 1243 1HG LYS 160 2HG LYS 160 -4.598 17.794 17.794 1244 2HG LYS 160 1HG LYS 160 -5.357 16.726 16.726 1245 1HD LYS 160 2HD LYS 160 -6.251 19.257 19.257 1246 2HD LYS 160 1HD LYS 160 -6.162 19.452 19.452 1247 1HE LYS 160 2HE LYS 160 -7.295 16.922 16.922 1248 2HE LYS 160 1HE LYS 160 -8.116 17.951 17.951 1249 1HZ LYS 160 1HZ LYS 160 -8.085 19.158 19.158 1250 2HZ LYS 160 3HZ LYS 160 -8.658 17.687 17.687 1251 3HZ LYS 160 2HZ LYS 160 -9.435 18.668 18.668 1252 H LEU 161 H LEU 161 -1.580 17.421 17.421 1253 HA LEU 161 HA LEU 161 -2.826 15.897 15.897 1254 1HB LEU 161 2HB LEU 161 -0.242 16.836 16.836 1255 2HB LEU 161 1HB LEU 161 0.029 15.127 15.127 1256 HG LEU 161 HG LEU 161 -1.551 16.456 16.456 1257 1HD1 LEU 161 1HD1 LEU 161 0.760 17.329 17.329 1258 2HD1 LEU 161 3HD1 LEU 161 1.404 15.695 15.695 1259 3HD1 LEU 161 2HD1 LEU 161 0.546 16.314 16.314 1260 1HD2 LEU 161 1HD2 LEU 161 -0.194 13.701 13.701 1261 2HD2 LEU 161 3HD2 LEU 161 -1.921 13.981 13.981 1262 3HD2 LEU 161 2HD2 LEU 161 -1.045 14.364 14.364 1263 H GLY 162 H GLY 162 -1.011 14.457 14.457 1264 1HA GLY 162 2HA GLY 162 -1.946 11.733 11.733 1265 2HA GLY 162 1HA GLY 162 -0.625 12.063 12.063 1266 H CYS 163 H CYS 163 -2.093 14.127 14.127 1267 HA CYS 163 HA CYS 163 -3.031 12.925 12.925 1268 1HB CYS 163 2HB CYS 163 -2.441 15.354 15.354 1269 2HB CYS 163 1HB CYS 163 -4.059 15.581 15.581 1270 H GLN 164 H GLN 164 -5.151 14.333 14.333 1271 HA GLN 164 HA GLN 164 -7.556 13.303 13.303 1272 1HB GLN 164 2HB GLN 164 -6.628 14.054 14.054 1273 2HB GLN 164 1HB GLN 164 -7.863 12.817 12.817 1274 1HG GLN 164 2HG GLN 164 -9.446 14.264 14.264 1275 2HG GLN 164 1HG GLN 164 -8.225 15.453 15.453 1276 1HE2 GLN 164 2HE2 GLN 164 -10.238 15.547 15.547 1277 2HE2 GLN 164 1HE2 GLN 164 -10.686 14.466 14.466 1278 H LEU 165 H LEU 165 -5.107 11.649 11.649 1279 HA LEU 165 HA LEU 165 -6.639 9.155 9.155 1280 1HB LEU 165 2HB LEU 165 -3.892 9.888 9.888 1281 2HB LEU 165 1HB LEU 165 -4.552 8.270 8.270 1282 HG LEU 165 HG LEU 165 -6.077 10.678 10.678 1283 1HD1 LEU 165 1HD1 LEU 165 -4.300 8.724 8.724 1284 2HD1 LEU 165 3HD1 LEU 165 -5.349 9.943 9.943 1285 3HD1 LEU 165 2HD1 LEU 165 -3.984 10.436 10.436 1286 1HD2 LEU 165 3HD2 LEU 165 -6.404 7.658 7.658 1287 2HD2 LEU 165 2HD2 LEU 165 -7.475 8.664 8.664 1288 3HD2 LEU 165 1HD2 LEU 165 -7.380 8.903 8.903 1289 H LEU 166 H LEU 166 -3.916 10.615 10.615 1290 HA LEU 166 HA LEU 166 -3.485 7.985 7.985 1291 1HB LEU 166 2HB LEU 166 -2.600 10.750 10.750 1292 2HB LEU 166 1HB LEU 166 -2.814 9.768 9.768 1293 HG LEU 166 HG LEU 166 -0.501 9.651 9.651 1294 1HD1 LEU 166 3HD1 LEU 166 -2.140 7.049 7.049 1295 2HD1 LEU 166 2HD1 LEU 166 -0.422 7.092 7.092 1296 3HD1 LEU 166 1HD1 LEU 166 -1.369 7.717 7.717 1297 1HD2 LEU 166 2HD2 LEU 166 -1.078 9.852 9.852 1298 2HD2 LEU 166 1HD2 LEU 166 -0.142 8.391 8.391 1299 3HD2 LEU 166 3HD2 LEU 166 -1.875 8.284 8.284 1300 H GLY 167 H GLY 167 -5.527 10.675 10.675 1301 1HA GLY 167 2HA GLY 167 -6.540 9.807 9.807 1302 2HA GLY 167 1HA GLY 167 -7.507 10.713 10.713 1303 H THR 168 H THR 168 -7.794 9.082 9.082 1304 HA THR 168 HA THR 168 -9.731 7.111 7.111 1305 HB THR 168 HB THR 168 -9.405 6.585 6.585 1306 HG1 THR 168 HG1 THR 168 -8.455 9.152 9.152 1307 1HG2 THR 168 1HG2 THR 168 -10.315 9.282 9.282 1308 2HG2 THR 168 3HG2 THR 168 -10.800 8.494 8.494 1309 3HG2 THR 168 2HG2 THR 168 -11.229 7.774 7.774 1310 H TYR 169 H TYR 169 -6.727 6.863 6.863 1311 HA TYR 169 HA TYR 169 -6.272 4.181 4.181 1312 1HB TYR 169 2HB TYR 169 -4.685 5.813 5.813 1313 2HB TYR 169 1HB TYR 169 -4.494 6.327 6.327 1314 HD1 TYR 169 HD2 TYR 169 -3.644 3.661 3.661 1315 HD2 TYR 169 HD1 TYR 169 -3.017 5.281 5.281 1316 HE1 TYR 169 HE2 TYR 169 -1.602 2.312 2.312 1317 HE2 TYR 169 HE1 TYR 169 -0.972 3.908 3.908 1318 HH TYR 169 HH TYR 169 0.622 3.234 3.234 1319 H LYS 170 H LYS 170 -5.989 6.009 6.009 1320 HA LYS 170 HA LYS 170 -5.329 3.786 3.786 1321 1HB LYS 170 2HB LYS 170 -5.416 6.271 6.271 1322 2HB LYS 170 1HB LYS 170 -7.162 6.157 6.157 1323 1HG LYS 170 2HG LYS 170 -7.073 4.424 4.424 1324 2HG LYS 170 1HG LYS 170 -5.324 4.533 4.533 1325 1HD LYS 170 2HD LYS 170 -5.973 5.947 5.947 1326 2HD LYS 170 1HD LYS 170 -5.608 7.059 7.059 1327 1HE LYS 170 2HE LYS 170 -7.685 7.810 7.810 1328 2HE LYS 170 1HE LYS 170 -8.101 7.146 7.146 1329 1HZ LYS 170 1HZ LYS 170 -8.146 5.028 5.028 1330 2HZ LYS 170 3HZ LYS 170 -9.046 6.303 6.303 1331 3HZ LYS 170 2HZ LYS 170 -9.421 5.681 5.681 1332 H GLN 171 H GLN 171 -8.519 5.124 5.124 1333 HA GLN 171 HA GLN 171 -10.042 3.138 3.138 1334 1HB GLN 171 2HB GLN 171 -10.531 5.344 5.344 1335 2HB GLN 171 1HB GLN 171 -11.501 3.993 3.993 1336 1HG GLN 171 2HG GLN 171 -12.848 5.230 5.230 1337 2HG GLN 171 1HG GLN 171 -12.350 3.774 3.774 1338 1HE2 GLN 171 2HE2 GLN 171 -11.304 7.352 7.352 1339 2HE2 GLN 171 1HE2 GLN 171 -12.304 7.202 7.202 1340 H VAL 172 H VAL 172 -9.026 3.098 3.098 1341 HA VAL 172 HA VAL 172 -10.403 0.583 0.583 1342 HB VAL 172 HB VAL 172 -9.200 1.001 1.001 1343 1HG1 VAL 172 3HG1 VAL 172 -10.535 3.453 3.453 1344 2HG1 VAL 172 2HG1 VAL 172 -10.376 3.083 3.083 1345 3HG1 VAL 172 1HG1 VAL 172 -11.410 2.102 2.102 1346 1HG2 VAL 172 1HG2 VAL 172 -7.978 3.259 3.259 1347 2HG2 VAL 172 3HG2 VAL 172 -7.144 1.838 1.838 1348 3HG2 VAL 172 2HG2 VAL 172 -7.951 2.940 2.940 1349 H ILE 173 H ILE 173 -7.002 1.560 1.560 1350 HA ILE 173 HA ILE 173 -5.802 -0.915 -0.915 1351 HB ILE 173 HB ILE 173 -5.059 1.442 1.442 1352 1HG1 ILE 173 2HG1 ILE 173 -4.972 1.559 1.559 1353 2HG1 ILE 173 1HG1 ILE 173 -3.494 1.959 1.959 1354 1HG2 ILE 173 3HG2 ILE 173 -3.368 -1.004 -1.004 1355 2HG2 ILE 173 2HG2 ILE 173 -2.803 0.517 0.517 1356 3HG2 ILE 173 1HG2 ILE 173 -4.008 -0.436 -0.436 1357 1HD1 ILE 173 2HD1 ILE 173 -4.149 -0.788 -0.788 1358 2HD1 ILE 173 1HD1 ILE 173 -3.117 0.407 0.407 1359 3HD1 ILE 173 3HD1 ILE 173 -2.617 -0.354 -0.354 1360 H SER 174 H SER 174 -7.209 0.449 0.449 1361 HA SER 174 HA SER 174 -6.541 -1.716 -1.716 1362 1HB SER 174 2HB SER 174 -8.918 0.192 0.192 1363 2HB SER 174 1HB SER 174 -8.492 -0.902 -0.902 1364 HG SER 174 HG SER 174 -6.219 0.199 0.199 1365 H VAL 175 H VAL 175 -8.554 -1.767 -1.767 1366 HA VAL 175 HA VAL 175 -10.075 -4.152 -4.152 1367 HB VAL 175 HB VAL 175 -10.598 -2.421 -2.421 1368 1HG1 VAL 175 1HG1 VAL 175 -12.244 -4.648 -4.648 1369 2HG1 VAL 175 3HG1 VAL 175 -12.767 -3.668 -3.668 1370 3HG1 VAL 175 2HG1 VAL 175 -11.400 -4.742 -4.742 1371 1HG2 VAL 175 3HG2 VAL 175 -11.918 -2.411 -2.411 1372 2HG2 VAL 175 2HG2 VAL 175 -10.923 -1.143 -1.143 1373 3HG2 VAL 175 1HG2 VAL 175 -12.481 -1.509 -1.509 1374 H VAL 176 H VAL 176 -7.830 -2.927 -2.927 1375 HA VAL 176 HA VAL 176 -8.275 -5.380 -5.380 1376 HB VAL 176 HB VAL 176 -6.590 -4.605 -4.605 1377 1HG1 VAL 176 2HG1 VAL 176 -8.316 -2.395 -2.395 1378 2HG1 VAL 176 1HG1 VAL 176 -7.579 -2.408 -2.408 1379 3HG1 VAL 176 3HG1 VAL 176 -8.763 -3.617 -3.617 1380 1HG2 VAL 176 1HG2 VAL 176 -6.136 -2.644 -2.644 1381 2HG2 VAL 176 3HG2 VAL 176 -4.929 -3.754 -3.754 1382 3HG2 VAL 176 2HG2 VAL 176 -5.459 -2.407 -2.407 1383 H VAL 177 H VAL 177 -6.217 -4.024 -4.024 1384 HA VAL 177 HA VAL 177 -4.089 -5.933 -5.933 1385 HB VAL 177 HB VAL 177 -4.353 -3.483 -3.483 1386 1HG1 VAL 177 3HG1 VAL 177 -6.443 -3.771 -3.771 1387 2HG1 VAL 177 2HG1 VAL 177 -5.707 -4.851 -4.851 1388 3HG1 VAL 177 1HG1 VAL 177 -5.188 -3.187 -3.187 1389 1HG2 VAL 177 1HG2 VAL 177 -3.342 -5.622 -5.622 1390 2HG2 VAL 177 3HG2 VAL 177 -2.377 -4.821 -4.821 1391 3HG2 VAL 177 2HG2 VAL 177 -2.980 -3.917 -3.917 1392 H GLN 178 H GLN 178 -7.337 -5.631 -5.631 1393 HA GLN 178 HA GLN 178 -7.236 -8.155 -8.155 1394 1HB GLN 178 2HB GLN 178 -8.864 -5.645 -5.645 1395 2HB GLN 178 1HB GLN 178 -9.615 -7.149 -7.149 1396 1HG GLN 178 2HG GLN 178 -7.739 -7.647 -7.647 1397 2HG GLN 178 1HG GLN 178 -6.864 -6.219 -6.219 1398 1HE2 GLN 178 2HE2 GLN 178 -8.458 -4.539 -4.539 1399 2HE2 GLN 178 1HE2 GLN 178 -6.979 -4.906 -4.906 1400 H ALA 179 H ALA 179 -7.426 -7.720 -7.720 1401 HA ALA 179 HA ALA 179 -9.996 -9.154 -9.154 1402 1HB ALA 179 1HB ALA 179 -9.453 -7.132 -7.132 1403 2HB ALA 179 3HB ALA 179 -7.972 -7.920 -7.920 1404 3HB ALA 179 2HB ALA 179 -9.523 -8.589 -8.589 1405 H PHE 180 H PHE 180 -6.561 -9.011 -9.011 1406 HA PHE 180 HA PHE 180 -6.440 -11.977 -11.977 1407 1HB PHE 180 2HB PHE 180 -4.500 -11.451 -11.451 1408 2HB PHE 180 1HB PHE 180 -6.113 -11.063 -11.063 1409 HD1 PHE 180 HD1 PHE 180 -2.998 -9.413 -9.413 1410 HD2 PHE 180 HD2 PHE 180 -6.633 -8.881 -8.881 1411 HE1 PHE 180 HE1 PHE 180 -2.444 -7.138 -7.138 1412 HE2 PHE 180 HE2 PHE 180 -6.050 -6.625 -6.625 1413 HZ PHE 180 HZ PHE 180 -3.832 -5.794 -5.794 Start of MODEL 16 1 1H SER 1 2H SER 1 7.859 -11.867 -11.867 2 2H SER 1 1H SER 1 9.466 -11.358 -11.358 3 3H SER 1 3H SER 1 8.882 -11.853 -11.853 4 HA SER 1 HA SER 1 9.450 -13.956 -13.956 5 1HB SER 1 2HB SER 1 10.482 -14.077 -14.077 6 2HB SER 1 1HB SER 1 11.407 -13.336 -13.336 7 HG SER 1 HG SER 1 10.551 -12.104 -12.104 8 HA PRO 2 HA PRO 2 5.951 -15.686 -15.686 9 1HB PRO 2 2HB PRO 2 6.764 -18.091 -18.091 10 2HB PRO 2 1HB PRO 2 6.688 -17.797 -17.797 11 1HG PRO 2 2HG PRO 2 9.114 -17.479 -17.479 12 2HG PRO 2 1HG PRO 2 9.016 -18.462 -18.462 13 1HD PRO 2 2HD PRO 2 10.040 -15.972 -15.972 14 2HD PRO 2 1HD PRO 2 8.934 -16.520 -16.520 15 H LEU 3 H LEU 3 6.408 -13.749 -13.749 16 HA LEU 3 HA LEU 3 6.847 -14.732 -14.732 17 1HB LEU 3 2HB LEU 3 8.481 -12.973 -12.973 18 2HB LEU 3 1HB LEU 3 7.248 -11.837 -11.837 19 HG LEU 3 HG LEU 3 8.971 -11.825 -11.825 20 1HD1 LEU 3 3HD1 LEU 3 6.665 -11.651 -11.651 21 2HD1 LEU 3 2HD1 LEU 3 6.595 -13.390 -13.390 22 3HD1 LEU 3 1HD1 LEU 3 7.732 -12.440 -12.440 23 1HD2 LEU 3 3HD2 LEU 3 9.988 -14.018 -14.018 24 2HD2 LEU 3 2HD2 LEU 3 9.643 -13.864 -13.864 25 3HD2 LEU 3 1HD2 LEU 3 8.611 -14.851 -14.851 26 HA PRO 4 HA PRO 4 2.667 -12.855 -12.855 27 1HB PRO 4 2HB PRO 4 1.013 -14.938 -14.938 28 2HB PRO 4 1HB PRO 4 1.883 -14.566 -14.566 29 1HG PRO 4 2HG PRO 4 2.623 -16.627 -16.627 30 2HG PRO 4 1HG PRO 4 2.558 -16.873 -16.873 31 1HD PRO 4 2HD PRO 4 4.931 -16.203 -16.203 32 2HD PRO 4 1HD PRO 4 4.683 -15.919 -15.919 33 H ILE 5 H ILE 5 1.186 -12.707 -12.707 34 HA ILE 5 HA ILE 5 1.901 -14.177 -14.177 35 HB ILE 5 HB ILE 5 3.340 -12.268 -12.268 36 1HG1 ILE 5 2HG1 ILE 5 0.965 -11.649 -11.649 37 2HG1 ILE 5 1HG1 ILE 5 2.306 -12.723 -12.723 38 1HG2 ILE 5 1HG2 ILE 5 1.079 -10.388 -10.388 39 2HG2 ILE 5 3HG2 ILE 5 2.667 -9.889 -9.889 40 3HG2 ILE 5 2HG2 ILE 5 2.499 -10.873 -10.873 41 1HD1 ILE 5 2HD1 ILE 5 3.884 -10.824 -10.824 42 2HD1 ILE 5 1HD1 ILE 5 2.568 -9.713 -9.713 43 3HD1 ILE 5 3HD1 ILE 5 2.630 -10.550 -10.550 44 H THR 6 H THR 6 0.111 -11.341 -11.341 45 HA THR 6 HA THR 6 -2.193 -10.793 -10.793 46 HB THR 6 HB THR 6 -2.922 -13.791 -13.791 47 HG1 THR 6 HG1 THR 6 -1.887 -13.622 -13.622 48 1HG2 THR 6 2HG2 THR 6 -4.287 -11.331 -11.331 49 2HG2 THR 6 1HG2 THR 6 -4.952 -12.949 -12.949 50 3HG2 THR 6 3HG2 THR 6 -4.787 -11.978 -11.978 51 HA PRO 7 HA PRO 7 -2.073 -11.355 -11.355 52 1HB PRO 7 2HB PRO 7 -3.724 -9.283 -9.283 53 2HB PRO 7 1HB PRO 7 -2.054 -9.008 -9.008 54 1HG PRO 7 2HG PRO 7 -4.594 -8.935 -8.935 55 2HG PRO 7 1HG PRO 7 -3.355 -7.684 -7.684 56 1HD PRO 7 2HD PRO 7 -3.272 -9.449 -9.449 57 2HD PRO 7 1HD PRO 7 -1.739 -8.998 -8.998 58 H VAL 8 H VAL 8 -3.211 -13.339 -13.339 59 HA VAL 8 HA VAL 8 -5.738 -14.036 -14.036 60 HB VAL 8 HB VAL 8 -3.987 -15.682 -15.682 61 1HG1 VAL 8 3HG1 VAL 8 -2.795 -14.583 -14.583 62 2HG1 VAL 8 2HG1 VAL 8 -4.100 -15.049 -15.049 63 3HG1 VAL 8 1HG1 VAL 8 -3.121 -16.273 -16.273 64 1HG2 VAL 8 3HG2 VAL 8 -6.282 -16.112 -16.112 65 2HG2 VAL 8 2HG2 VAL 8 -6.278 -16.520 -16.520 66 3HG2 VAL 8 1HG2 VAL 8 -5.217 -17.373 -17.373 67 H ASN 9 H ASN 9 -4.647 -13.308 -13.308 68 HA ASN 9 HA ASN 9 -7.376 -12.382 -12.382 69 1HB ASN 9 2HB ASN 9 -5.689 -14.441 -14.441 70 2HB ASN 9 1HB ASN 9 -7.099 -13.658 -13.658 71 1HD2 ASN 9 2HD2 ASN 9 -7.857 -16.900 -16.900 72 2HD2 ASN 9 1HD2 ASN 9 -6.477 -16.582 -16.582 73 H ALA 10 H ALA 10 -4.510 -12.823 -12.823 74 HA ALA 10 HA ALA 10 -4.100 -9.854 -9.854 75 1HB ALA 10 1HB ALA 10 -4.220 -11.649 -11.649 76 2HB ALA 10 3HB ALA 10 -3.725 -9.957 -9.957 77 3HB ALA 10 2HB ALA 10 -5.358 -10.385 -10.385 78 H THR 11 H THR 11 -2.461 -11.960 -11.960 79 HA THR 11 HA THR 11 -0.031 -11.991 -11.991 80 HB THR 11 HB THR 11 0.415 -12.170 -12.170 81 HG1 THR 11 HG1 THR 11 -0.100 -9.614 -9.614 82 1HG2 THR 11 2HG2 THR 11 1.557 -10.317 -10.317 83 2HG2 THR 11 1HG2 THR 11 2.199 -10.545 -10.545 84 3HG2 THR 11 3HG2 THR 11 2.261 -11.853 -11.853 85 H CYS 12 H CYS 12 -2.363 -13.833 -13.833 86 HA CYS 12 HA CYS 12 -1.201 -16.017 -16.017 87 1HB CYS 12 2HB CYS 12 -3.421 -16.064 -16.064 88 2HB CYS 12 1HB CYS 12 -3.186 -17.201 -17.201 89 H ALA 13 H ALA 13 -0.301 -15.151 -15.151 90 HA ALA 13 HA ALA 13 0.128 -17.675 -17.675 91 1HB ALA 13 1HB ALA 13 1.979 -15.239 -15.239 92 2HB ALA 13 3HB ALA 13 2.000 -16.535 -16.535 93 3HB ALA 13 2HB ALA 13 0.622 -15.443 -15.443 94 H ILE 14 H ILE 14 1.684 -15.839 -15.839 95 HA ILE 14 HA ILE 14 3.426 -18.138 -18.138 96 HB ILE 14 HB ILE 14 4.056 -15.301 -15.301 97 1HG1 ILE 14 2HG1 ILE 14 5.646 -15.213 -15.213 98 2HG1 ILE 14 1HG1 ILE 14 4.402 -16.222 -16.222 99 1HG2 ILE 14 1HG2 ILE 14 5.393 -17.254 -17.254 100 2HG2 ILE 14 3HG2 ILE 14 5.820 -17.624 -17.624 101 3HG2 ILE 14 2HG2 ILE 14 6.391 -16.139 -16.139 102 1HD1 ILE 14 1HD1 ILE 14 2.696 -14.467 -14.467 103 2HD1 ILE 14 3HD1 ILE 14 3.987 -13.504 -13.504 104 3HD1 ILE 14 2HD1 ILE 14 3.936 -13.812 -13.812 105 H ARG 15 H ARG 15 0.804 -17.890 -17.890 106 HA ARG 15 HA ARG 15 -0.405 -16.614 -16.614 107 1HB ARG 15 2HB ARG 15 -1.730 -18.318 -18.318 108 2HB ARG 15 1HB ARG 15 -0.495 -19.532 -19.532 109 1HG ARG 15 2HG ARG 15 -1.100 -19.848 -19.848 110 2HG ARG 15 1HG ARG 15 -1.939 -18.339 -18.339 111 1HD ARG 15 2HD ARG 15 -3.897 -19.165 -19.165 112 2HD ARG 15 1HD ARG 15 -3.194 -20.172 -20.172 113 HE ARG 15 HE ARG 15 -3.887 -20.973 -20.973 114 1HH1 ARG 15 2HH1 ARG 15 -1.632 -21.351 -21.351 115 2HH1 ARG 15 1HH1 ARG 15 -1.175 -22.986 -22.986 116 1HH2 ARG 15 1HH2 ARG 15 -3.328 -23.092 -23.092 117 2HH2 ARG 15 2HH2 ARG 15 -2.165 -23.981 -23.981 118 H HIS 16 H HIS 16 2.096 -18.652 -18.652 119 HA HIS 16 HA HIS 16 2.057 -18.305 -18.305 120 1HB HIS 16 2HB HIS 16 3.343 -20.570 -20.570 121 2HB HIS 16 1HB HIS 16 1.633 -20.668 -20.668 122 HD1 HIS 16 HD1 HIS 16 4.635 -19.865 -19.865 123 HD2 HIS 16 HD2 HIS 16 1.438 -22.380 -22.380 124 HE1 HIS 16 HE1 HIS 16 4.790 -21.134 -21.134 125 HA PRO 17 HA PRO 17 5.889 -16.837 -16.837 126 1HB PRO 17 2HB PRO 17 5.665 -14.160 -14.160 127 2HB PRO 17 1HB PRO 17 4.636 -15.140 -15.140 128 1HG PRO 17 2HG PRO 17 3.904 -13.792 -13.792 129 2HG PRO 17 1HG PRO 17 2.924 -14.054 -14.054 130 1HD PRO 17 2HD PRO 17 2.864 -15.784 -15.784 131 2HD PRO 17 1HD PRO 17 2.127 -16.069 -16.069 132 H CYS 18 H CYS 18 4.779 -15.139 -15.139 133 HA CYS 18 HA CYS 18 7.528 -15.069 -15.069 134 1HB CYS 18 2HB CYS 18 5.377 -13.471 -13.471 135 2HB CYS 18 1HB CYS 18 7.003 -13.004 -13.004 136 H HIS 19 H HIS 19 7.472 -15.000 -15.000 137 HA HIS 19 HA HIS 19 5.691 -17.161 -17.161 138 1HB HIS 19 2HB HIS 19 8.631 -16.871 -16.871 139 2HB HIS 19 1HB HIS 19 7.600 -18.281 -18.281 140 HD1 HIS 19 HD1 HIS 19 6.478 -18.229 -18.229 141 HD2 HIS 19 HD2 HIS 19 10.430 -18.121 -18.121 142 HE1 HIS 19 HE1 HIS 19 7.757 -19.062 -19.062 143 H GLY 20 H GLY 20 7.266 -16.959 -16.959 144 1HA GLY 20 2HA GLY 20 7.498 -15.181 -15.181 145 2HA GLY 20 1HA GLY 20 6.094 -14.377 -14.377 146 H ASN 21 H ASN 21 4.699 -16.537 -16.537 147 HA ASN 21 HA ASN 21 3.638 -18.590 -18.590 148 1HB ASN 21 2HB ASN 21 4.619 -18.318 -18.318 149 2HB ASN 21 1HB ASN 21 3.539 -16.976 -16.976 150 1HD2 ASN 21 2HD2 ASN 21 1.327 -19.409 -19.409 151 2HD2 ASN 21 1HD2 ASN 21 2.302 -18.063 -18.063 152 H LEU 22 H LEU 22 2.953 -15.425 -15.425 153 HA LEU 22 HA LEU 22 1.337 -13.836 -13.836 154 1HB LEU 22 2HB LEU 22 0.785 -15.461 -15.461 155 2HB LEU 22 1HB LEU 22 -0.442 -16.161 -16.161 156 HG LEU 22 HG LEU 22 -1.390 -14.536 -14.536 157 1HD1 LEU 22 3HD1 LEU 22 -2.593 -14.998 -14.998 158 2HD1 LEU 22 2HD1 LEU 22 -1.786 -13.643 -13.643 159 3HD1 LEU 22 1HD1 LEU 22 -2.864 -13.374 -13.374 160 1HD2 LEU 22 3HD2 LEU 22 0.440 -12.936 -12.936 161 2HD2 LEU 22 2HD2 LEU 22 -1.039 -12.114 -12.114 162 3HD2 LEU 22 1HD2 LEU 22 0.174 -12.422 -12.422 163 H MET 23 H MET 23 0.043 -16.819 -16.819 164 HA MET 23 HA MET 23 -2.091 -15.963 -15.963 165 1HB MET 23 2HB MET 23 -1.622 -18.339 -18.339 166 2HB MET 23 1HB MET 23 -0.478 -18.519 -18.519 167 1HG MET 23 2HG MET 23 -2.337 -17.948 -17.948 168 2HG MET 23 1HG MET 23 -3.432 -17.916 -17.916 169 1HE MET 23 2HE MET 23 -2.385 -19.701 -19.701 170 2HE MET 23 1HE MET 23 -2.262 -21.394 -21.394 171 3HE MET 23 3HE MET 23 -0.964 -20.318 -20.318 172 H ASN 24 H ASN 24 -0.999 -14.198 -14.198 173 HA ASN 24 HA ASN 24 -0.903 -13.185 -13.185 174 1HB ASN 24 2HB ASN 24 -0.563 -15.631 -15.631 175 2HB ASN 24 1HB ASN 24 1.147 -15.253 -15.253 176 1HD2 ASN 24 2HD2 ASN 24 -0.823 -13.803 -13.803 177 2HD2 ASN 24 1HD2 ASN 24 -1.366 -15.110 -15.110 178 H GLN 25 H GLN 25 0.951 -13.733 -13.733 179 HA GLN 25 HA GLN 25 3.479 -12.551 -12.551 180 1HB GLN 25 2HB GLN 25 3.593 -13.985 -13.985 181 2HB GLN 25 1HB GLN 25 2.390 -12.974 -12.974 182 1HG GLN 25 2HG GLN 25 4.687 -12.438 -12.438 183 2HG GLN 25 1HG GLN 25 3.957 -11.057 -11.057 184 1HE2 GLN 25 2HE2 GLN 25 6.266 -11.020 -11.020 185 2HE2 GLN 25 1HE2 GLN 25 4.761 -10.439 -10.439 186 H ILE 26 H ILE 26 0.713 -11.695 -11.695 187 HA ILE 26 HA ILE 26 1.338 -8.873 -8.873 188 HB ILE 26 HB ILE 26 -1.087 -8.615 -8.615 189 1HG1 ILE 26 2HG1 ILE 26 -1.142 -11.569 -11.569 190 2HG1 ILE 26 1HG1 ILE 26 -2.298 -10.319 -10.319 191 1HG2 ILE 26 2HG2 ILE 26 0.738 -8.985 -8.985 192 2HG2 ILE 26 1HG2 ILE 26 0.545 -10.726 -10.726 193 3HG2 ILE 26 3HG2 ILE 26 -0.733 -9.735 -9.735 194 1HD1 ILE 26 1HD1 ILE 26 -2.742 -10.163 -10.163 195 2HD1 ILE 26 3HD1 ILE 26 -1.752 -11.572 -11.572 196 3HD1 ILE 26 2HD1 ILE 26 -3.219 -11.703 -11.703 197 H LYS 27 H LYS 27 -0.634 -10.696 -10.696 198 HA LYS 27 HA LYS 27 -1.833 -8.476 -8.476 199 1HB LYS 27 2HB LYS 27 -2.403 -10.931 -10.931 200 2HB LYS 27 1HB LYS 27 -0.874 -11.091 -11.091 201 1HG LYS 27 2HG LYS 27 -1.687 -9.025 -9.025 202 2HG LYS 27 1HG LYS 27 -3.251 -9.317 -9.317 203 1HD LYS 27 2HD LYS 27 -1.600 -11.293 -11.293 204 2HD LYS 27 1HD LYS 27 -2.921 -10.332 -10.332 205 1HE LYS 27 2HE LYS 27 -3.179 -12.536 -12.536 206 2HE LYS 27 1HE LYS 27 -3.679 -12.637 -12.637 207 1HZ LYS 27 2HZ LYS 27 -4.865 -10.349 -10.349 208 2HZ LYS 27 1HZ LYS 27 -5.055 -11.647 -11.647 209 3HZ LYS 27 3HZ LYS 27 -5.661 -11.703 -11.703 210 H ASN 28 H ASN 28 0.981 -10.351 -10.351 211 HA ASN 28 HA ASN 28 2.178 -8.982 -8.982 212 1HB ASN 28 2HB ASN 28 2.920 -11.156 -11.156 213 2HB ASN 28 1HB ASN 28 3.663 -10.224 -10.224 214 1HD2 ASN 28 2HD2 ASN 28 5.809 -10.861 -10.861 215 2HD2 ASN 28 1HD2 ASN 28 4.492 -11.819 -11.819 216 H GLN 29 H GLN 29 2.627 -8.346 -8.346 217 HA GLN 29 HA GLN 29 4.405 -6.104 -6.104 218 1HB GLN 29 2HB GLN 29 2.555 -6.899 -6.899 219 2HB GLN 29 1HB GLN 29 3.741 -5.626 -5.626 220 1HG GLN 29 2HG GLN 29 4.728 -8.342 -8.342 221 2HG GLN 29 1HG GLN 29 4.316 -8.138 -8.138 222 1HE2 GLN 29 2HE2 GLN 29 7.689 -6.421 -6.421 223 2HE2 GLN 29 1HE2 GLN 29 6.743 -7.372 -7.372 224 H LEU 30 H LEU 30 1.082 -6.218 -6.218 225 HA LEU 30 HA LEU 30 0.258 -3.639 -3.639 226 1HB LEU 30 2HB LEU 30 -1.068 -6.033 -6.033 227 2HB LEU 30 1HB LEU 30 -1.605 -5.463 -5.463 228 HG LEU 30 HG LEU 30 -3.202 -4.671 -4.671 229 1HD1 LEU 30 3HD1 LEU 30 -2.459 -2.831 -2.831 230 2HD1 LEU 30 2HD1 LEU 30 -1.323 -2.289 -2.289 231 3HD1 LEU 30 1HD1 LEU 30 -3.033 -2.263 -2.263 232 1HD2 LEU 30 3HD2 LEU 30 -0.841 -3.695 -3.695 233 2HD2 LEU 30 2HD2 LEU 30 -1.873 -5.076 -5.076 234 3HD2 LEU 30 1HD2 LEU 30 -2.535 -3.450 -3.450 235 H ALA 31 H ALA 31 0.399 -5.602 -5.602 236 HA ALA 31 HA ALA 31 -0.519 -3.863 -3.863 237 1HB ALA 31 3HB ALA 31 2.007 -5.504 -5.504 238 2HB ALA 31 2HB ALA 31 1.107 -4.870 -4.870 239 3HB ALA 31 1HB ALA 31 0.369 -6.086 -6.086 240 H GLN 32 H GLN 32 2.746 -3.895 -3.895 241 HA GLN 32 HA GLN 32 3.747 -1.662 -1.662 242 1HB GLN 32 2HB GLN 32 4.582 -3.104 -3.104 243 2HB GLN 32 1HB GLN 32 5.181 -1.472 -1.472 244 1HG GLN 32 2HG GLN 32 5.508 -3.533 -3.533 245 2HG GLN 32 1HG GLN 32 6.713 -3.232 -3.232 246 1HE2 GLN 32 2HE2 GLN 32 6.452 0.291 0.291 247 2HE2 GLN 32 1HE2 GLN 32 5.323 -0.168 -0.168 248 H LEU 33 H LEU 33 1.793 -1.778 -1.778 249 HA LEU 33 HA LEU 33 2.049 1.073 1.073 250 1HB LEU 33 2HB LEU 33 0.261 -1.148 -1.148 251 2HB LEU 33 1HB LEU 33 0.135 0.474 0.474 252 HG LEU 33 HG LEU 33 2.642 0.264 0.264 253 1HD1 LEU 33 1HD1 LEU 33 2.074 -2.708 -2.708 254 2HD1 LEU 33 3HD1 LEU 33 3.476 -2.100 -2.100 255 3HD1 LEU 33 2HD1 LEU 33 3.250 -1.777 -1.777 256 1HD2 LEU 33 3HD2 LEU 33 0.582 -1.523 -1.523 257 2HD2 LEU 33 2HD2 LEU 33 0.860 0.179 0.179 258 3HD2 LEU 33 1HD2 LEU 33 2.097 -1.025 -1.025 259 H ASN 34 H ASN 34 0.021 -1.076 -1.076 260 HA ASN 34 HA ASN 34 -2.212 0.729 0.729 261 1HB ASN 34 2HB ASN 34 -1.993 -1.857 -1.857 262 2HB ASN 34 1HB ASN 34 -1.244 -1.480 -1.480 263 1HD2 ASN 34 2HD2 ASN 34 -4.345 -0.957 -0.957 264 2HD2 ASN 34 1HD2 ASN 34 -2.701 -1.314 -1.314 265 H GLY 35 H GLY 35 0.399 -0.363 -0.363 266 1HA GLY 35 2HA GLY 35 0.234 1.419 1.419 267 2HA GLY 35 1HA GLY 35 1.780 0.813 0.813 268 H SER 36 H SER 36 1.846 1.890 1.890 269 HA SER 36 HA SER 36 2.651 4.599 4.599 270 1HB SER 36 2HB SER 36 3.392 4.630 4.630 271 2HB SER 36 1HB SER 36 3.808 3.083 3.083 272 HG SER 36 HG SER 36 2.312 3.509 3.509 273 H ALA 37 H ALA 37 -0.013 3.206 3.206 274 HA ALA 37 HA ALA 37 -1.234 5.320 5.320 275 1HB ALA 37 1HB ALA 37 -2.298 3.002 3.002 276 2HB ALA 37 3HB ALA 37 -2.754 3.409 3.409 277 3HB ALA 37 2HB ALA 37 -3.400 4.334 4.334 278 H ASN 38 H ASN 38 -1.308 4.610 4.610 279 HA ASN 38 HA ASN 38 -2.688 7.208 7.208 280 1HB ASN 38 2HB ASN 38 -3.321 5.180 5.180 281 2HB ASN 38 1HB ASN 38 -1.687 5.082 5.082 282 1HD2 ASN 38 2HD2 ASN 38 -2.816 8.549 8.549 283 2HD2 ASN 38 1HD2 ASN 38 -2.063 8.427 8.427 284 H ALA 39 H ALA 39 0.376 5.564 5.564 285 HA ALA 39 HA ALA 39 1.609 7.862 7.862 286 1HB ALA 39 1HB ALA 39 2.893 5.375 5.375 287 2HB ALA 39 3HB ALA 39 3.718 6.500 6.500 288 3HB ALA 39 2HB ALA 39 2.381 5.536 5.536 289 H LEU 40 H LEU 40 2.388 6.444 6.444 290 HA LEU 40 HA LEU 40 4.114 8.534 8.534 291 1HB LEU 40 2HB LEU 40 4.080 6.538 6.538 292 2HB LEU 40 1HB LEU 40 2.342 6.561 6.561 293 HG LEU 40 HG LEU 40 3.899 7.210 7.210 294 1HD1 LEU 40 1HD1 LEU 40 1.338 8.758 8.758 295 2HD1 LEU 40 3HD1 LEU 40 2.108 8.629 8.629 296 3HD1 LEU 40 2HD1 LEU 40 1.527 7.191 7.191 297 1HD2 LEU 40 3HD2 LEU 40 3.616 9.877 9.877 298 2HD2 LEU 40 2HD2 LEU 40 5.128 9.124 9.124 299 3HD2 LEU 40 1HD2 LEU 40 4.018 9.659 9.659 300 H PHE 41 H PHE 41 0.646 8.034 8.034 301 HA PHE 41 HA PHE 41 -0.001 10.400 10.400 302 1HB PHE 41 2HB PHE 41 -1.777 8.852 8.852 303 2HB PHE 41 1HB PHE 41 -1.549 9.056 9.056 304 HD1 PHE 41 HD1 PHE 41 -1.759 11.610 11.610 305 HD2 PHE 41 HD2 PHE 41 -3.507 10.043 10.043 306 HE1 PHE 41 HE1 PHE 41 -3.358 13.429 13.429 307 HE2 PHE 41 HE2 PHE 41 -5.108 11.892 11.892 308 HZ PHE 41 HZ PHE 41 -4.995 13.605 13.605 309 H ILE 42 H ILE 42 0.132 10.149 10.149 310 HA ILE 42 HA ILE 42 -0.273 12.981 12.981 311 HB ILE 42 HB ILE 42 0.753 10.687 10.687 312 1HG1 ILE 42 2HG1 ILE 42 -1.317 10.688 10.688 313 2HG1 ILE 42 1HG1 ILE 42 -1.544 12.420 12.420 314 1HG2 ILE 42 2HG2 ILE 42 0.581 13.578 13.578 315 2HG2 ILE 42 1HG2 ILE 42 0.862 12.187 12.187 316 3HG2 ILE 42 3HG2 ILE 42 2.048 12.637 12.637 317 1HD1 ILE 42 1HD1 ILE 42 -1.728 10.583 10.583 318 2HD1 ILE 42 3HD1 ILE 42 -3.129 11.067 11.067 319 3HD1 ILE 42 2HD1 ILE 42 -2.168 12.145 12.145 320 H SER 43 H SER 43 2.524 11.026 11.026 321 HA SER 43 HA SER 43 4.436 13.116 13.116 322 1HB SER 43 2HB SER 43 4.886 10.703 10.703 323 2HB SER 43 1HB SER 43 4.759 10.276 10.276 324 HG SER 43 HG SER 43 6.526 12.337 12.337 325 H TYR 44 H TYR 44 2.693 12.185 12.185 326 HA TYR 44 HA TYR 44 4.539 13.179 13.179 327 1HB TYR 44 2HB TYR 44 3.447 11.471 11.471 328 2HB TYR 44 1HB TYR 44 2.051 11.446 11.446 329 HD1 TYR 44 HD1 TYR 44 3.580 12.923 12.923 330 HD2 TYR 44 HD2 TYR 44 -0.014 12.769 12.769 331 HE1 TYR 44 HE1 TYR 44 2.549 14.039 14.039 332 HE2 TYR 44 HE2 TYR 44 -1.075 13.854 13.854 333 HH TYR 44 HH TYR 44 0.476 15.685 15.685 334 H TYR 45 H TYR 45 1.232 13.645 13.645 335 HA TYR 45 HA TYR 45 0.957 16.266 16.266 336 1HB TYR 45 2HB TYR 45 -1.341 16.110 16.110 337 2HB TYR 45 1HB TYR 45 -0.924 14.444 14.444 338 HD1 TYR 45 HD2 TYR 45 -0.197 17.349 17.349 339 HD2 TYR 45 HD1 TYR 45 -2.070 13.520 13.520 340 HE1 TYR 45 HE2 TYR 45 -0.786 17.480 17.480 341 HE2 TYR 45 HE1 TYR 45 -2.689 13.761 13.761 342 HH TYR 45 HH TYR 45 -2.008 16.586 16.586 343 H THR 46 H THR 46 2.148 15.317 15.317 344 HA THR 46 HA THR 46 2.050 17.941 17.941 345 HB THR 46 HB THR 46 4.236 17.107 17.107 346 HG1 THR 46 HG1 THR 46 4.968 15.449 15.449 347 1HG2 THR 46 2HG2 THR 46 1.650 15.497 15.497 348 2HG2 THR 46 1HG2 THR 46 2.955 15.486 15.486 349 3HG2 THR 46 3HG2 THR 46 2.046 16.953 16.953 350 H ALA 47 H ALA 47 4.321 16.505 16.505 351 HA ALA 47 HA ALA 47 6.128 18.791 18.791 352 1HB ALA 47 1HB ALA 47 6.892 16.510 16.510 353 2HB ALA 47 3HB ALA 47 5.820 16.671 16.671 354 3HB ALA 47 2HB ALA 47 7.194 17.746 17.746 355 H GLN 48 H GLN 48 2.983 18.571 18.571 356 HA GLN 48 HA GLN 48 3.565 20.260 20.260 357 1HB GLN 48 2HB GLN 48 1.068 19.132 19.132 358 2HB GLN 48 1HB GLN 48 0.900 20.515 20.515 359 1HG GLN 48 2HG GLN 48 0.548 18.552 18.552 360 2HG GLN 48 1HG GLN 48 2.102 19.152 19.152 361 1HE2 GLN 48 2HE2 GLN 48 3.778 16.441 16.441 362 2HE2 GLN 48 1HE2 GLN 48 3.964 18.123 18.123 363 H GLY 49 H GLY 49 1.800 20.684 20.684 364 1HA GLY 49 2HA GLY 49 2.075 22.612 22.612 365 2HA GLY 49 1HA GLY 49 2.542 23.571 23.571 366 H GLU 50 H GLU 50 0.428 23.981 23.981 367 HA GLU 50 HA GLU 50 -2.147 23.460 23.460 368 1HB GLU 50 2HB GLU 50 -2.634 25.873 25.873 369 2HB GLU 50 1HB GLU 50 -1.597 24.970 24.970 370 1HG GLU 50 2HG GLU 50 0.416 25.990 25.990 371 2HG GLU 50 1HG GLU 50 -0.561 26.777 26.777 372 HA PRO 51 HA PRO 51 -4.381 24.473 24.473 373 1HB PRO 51 2HB PRO 51 -6.585 24.332 24.332 374 2HB PRO 51 1HB PRO 51 -5.860 25.913 25.913 375 1HG PRO 51 2HG PRO 51 -5.404 24.102 24.102 376 2HG PRO 51 1HG PRO 51 -5.889 25.805 25.805 377 1HD PRO 51 2HD PRO 51 -3.257 25.126 25.126 378 2HD PRO 51 1HD PRO 51 -3.719 26.552 26.552 379 H PHE 52 H PHE 52 -3.428 22.488 22.488 380 HA PHE 52 HA PHE 52 -4.511 20.168 20.168 381 1HB PHE 52 2HB PHE 52 -1.811 21.206 21.206 382 2HB PHE 52 1HB PHE 52 -1.693 19.695 19.695 383 HD1 PHE 52 HD1 PHE 52 -4.213 20.498 20.498 384 HD2 PHE 52 HD2 PHE 52 -0.716 18.320 18.320 385 HE1 PHE 52 HE1 PHE 52 -4.396 19.216 19.216 386 HE2 PHE 52 HE2 PHE 52 -0.908 17.035 17.035 387 HZ PHE 52 HZ PHE 52 -2.728 17.494 17.494 388 HA PRO 53 HA PRO 53 -3.097 18.178 18.178 389 1HB PRO 53 2HB PRO 53 -2.290 19.920 19.920 390 2HB PRO 53 1HB PRO 53 -1.140 19.082 19.082 391 1HG PRO 53 2HG PRO 53 -2.301 21.892 21.892 392 2HG PRO 53 1HG PRO 53 -0.613 21.391 21.391 393 1HD PRO 53 2HD PRO 53 -1.910 21.655 21.655 394 2HD PRO 53 1HD PRO 53 -0.952 20.176 20.176 395 H ASN 54 H ASN 54 -4.652 20.947 20.947 396 HA ASN 54 HA ASN 54 -6.746 20.597 20.597 397 1HB ASN 54 2HB ASN 54 -7.200 23.013 23.013 398 2HB ASN 54 1HB ASN 54 -5.507 22.760 22.760 399 1HD2 ASN 54 2HD2 ASN 54 -6.013 24.862 24.862 400 2HD2 ASN 54 1HD2 ASN 54 -6.802 24.932 24.932 401 H ASN 55 H ASN 55 -6.297 20.740 20.740 402 HA ASN 55 HA ASN 55 -9.244 20.146 20.146 403 1HB ASN 55 2HB ASN 55 -7.520 21.848 21.848 404 2HB ASN 55 1HB ASN 55 -9.166 21.335 21.335 405 1HD2 ASN 55 2HD2 ASN 55 -8.940 24.626 24.626 406 2HD2 ASN 55 1HD2 ASN 55 -7.778 24.065 24.065 407 H LEU 56 H LEU 56 -6.686 18.559 18.559 408 HA LEU 56 HA LEU 56 -6.418 17.257 17.257 409 1HB LEU 56 2HB LEU 56 -5.166 15.582 15.582 410 2HB LEU 56 1HB LEU 56 -4.804 17.074 17.074 411 HG LEU 56 HG LEU 56 -6.731 16.470 16.470 412 1HD1 LEU 56 1HD1 LEU 56 -7.624 14.371 14.371 413 2HD1 LEU 56 3HD1 LEU 56 -6.064 13.671 13.671 414 3HD1 LEU 56 2HD1 LEU 56 -7.096 14.054 14.054 415 1HD2 LEU 56 1HD2 LEU 56 -4.231 16.342 16.342 416 2HD2 LEU 56 3HD2 LEU 56 -5.110 15.106 15.106 417 3HD2 LEU 56 2HD2 LEU 56 -4.358 14.704 14.704 418 H ASP 57 H ASP 57 -8.525 16.994 16.994 419 HA ASP 57 HA ASP 57 -9.742 14.575 14.575 420 1HB ASP 57 2HB ASP 57 -11.163 16.857 16.857 421 2HB ASP 57 1HB ASP 57 -11.474 15.153 15.153 422 H LYS 58 H LYS 58 -9.989 17.650 17.650 423 HA LYS 58 HA LYS 58 -12.436 16.866 16.866 424 1HB LYS 58 2HB LYS 58 -11.373 19.648 19.648 425 2HB LYS 58 1HB LYS 58 -12.803 19.338 19.338 426 1HG LYS 58 2HG LYS 58 -13.819 19.555 19.555 427 2HG LYS 58 1HG LYS 58 -13.503 17.842 17.842 428 1HD LYS 58 2HD LYS 58 -12.599 18.346 18.346 429 2HD LYS 58 1HD LYS 58 -11.159 18.598 18.598 430 1HE LYS 58 2HE LYS 58 -11.665 21.025 21.025 431 2HE LYS 58 1HE LYS 58 -13.090 20.785 20.785 432 1HZ LYS 58 1HZ LYS 58 -10.819 19.705 19.705 433 2HZ LYS 58 3HZ LYS 58 -10.475 21.261 21.261 434 3HZ LYS 58 2HZ LYS 58 -11.845 20.984 20.984 435 H LEU 59 H LEU 59 -9.150 17.599 17.599 436 HA LEU 59 HA LEU 59 -9.317 17.839 17.839 437 1HB LEU 59 2HB LEU 59 -7.143 18.683 18.683 438 2HB LEU 59 1HB LEU 59 -6.999 18.785 18.785 439 HG LEU 59 HG LEU 59 -8.170 20.751 20.751 440 1HD1 LEU 59 2HD1 LEU 59 -10.421 19.814 19.814 441 2HD1 LEU 59 1HD1 LEU 59 -9.921 20.034 20.034 442 3HD1 LEU 59 3HD1 LEU 59 -10.123 21.419 21.419 443 1HD2 LEU 59 2HD2 LEU 59 -7.625 20.579 20.579 444 2HD2 LEU 59 1HD2 LEU 59 -6.510 21.158 21.158 445 3HD2 LEU 59 3HD2 LEU 59 -7.952 22.097 22.097 446 H CYS 60 H CYS 60 -8.433 15.883 15.883 447 HA CYS 60 HA CYS 60 -6.980 13.945 13.945 448 1HB CYS 60 2HB CYS 60 -6.188 14.592 14.592 449 2HB CYS 60 1HB CYS 60 -5.353 13.631 13.631 450 H GLY 61 H GLY 61 -9.743 13.707 13.707 451 1HA GLY 61 2HA GLY 61 -9.741 11.378 11.378 452 2HA GLY 61 1HA GLY 61 -10.806 12.707 12.707 453 HA PRO 62 HA PRO 62 -13.477 10.937 10.937 454 1HB PRO 62 2HB PRO 62 -15.456 12.774 12.774 455 2HB PRO 62 1HB PRO 62 -14.917 12.183 12.183 456 1HG PRO 62 2HG PRO 62 -14.159 14.800 14.800 457 2HG PRO 62 1HG PRO 62 -14.538 14.544 14.544 458 1HD PRO 62 2HD PRO 62 -11.888 14.545 14.545 459 2HD PRO 62 1HD PRO 62 -12.295 14.008 14.008 460 H ASN 63 H ASN 63 -11.420 11.485 11.485 461 HA ASN 63 HA ASN 63 -12.036 13.071 13.071 462 1HB ASN 63 2HB ASN 63 -9.307 12.045 12.045 463 2HB ASN 63 1HB ASN 63 -9.869 13.703 13.703 464 1HD2 ASN 63 2HD2 ASN 63 -8.591 12.211 12.211 465 2HD2 ASN 63 1HD2 ASN 63 -8.650 11.250 11.250 466 H VAL 64 H VAL 64 -13.244 11.481 11.481 467 HA VAL 64 HA VAL 64 -12.111 8.717 8.717 468 HB VAL 64 HB VAL 64 -14.846 9.711 9.711 469 1HG1 VAL 64 3HG1 VAL 64 -13.809 6.887 6.887 470 2HG1 VAL 64 2HG1 VAL 64 -15.441 7.302 7.302 471 3HG1 VAL 64 1HG1 VAL 64 -14.095 7.548 7.548 472 1HG2 VAL 64 1HG2 VAL 64 -14.538 10.000 10.000 473 2HG2 VAL 64 3HG2 VAL 64 -15.722 8.755 8.755 474 3HG2 VAL 64 2HG2 VAL 64 -14.093 8.308 8.308 475 H THR 65 H THR 65 -12.894 11.461 11.461 476 HA THR 65 HA THR 65 -12.852 11.593 11.593 477 HB THR 65 HB THR 65 -11.075 13.022 13.022 478 HG1 THR 65 HG1 THR 65 -9.814 12.593 12.593 479 1HG2 THR 65 2HG2 THR 65 -10.336 11.617 11.617 480 2HG2 THR 65 1HG2 THR 65 -9.418 10.587 10.587 481 3HG2 THR 65 3HG2 THR 65 -9.005 12.269 12.269 482 H ASP 66 H ASP 66 -10.123 9.537 9.537 483 HA ASP 66 HA ASP 66 -10.790 7.943 7.943 484 1HB ASP 66 2HB ASP 66 -8.251 7.402 7.402 485 2HB ASP 66 1HB ASP 66 -8.655 9.088 9.088 486 H PHE 67 H PHE 67 -10.131 7.544 7.544 487 HA PHE 67 HA PHE 67 -9.571 4.840 4.840 488 1HB PHE 67 2HB PHE 67 -10.701 6.856 6.856 489 2HB PHE 67 1HB PHE 67 -11.317 5.271 5.271 490 HD1 PHE 67 HD2 PHE 67 -9.279 3.331 3.331 491 HD2 PHE 67 HD1 PHE 67 -8.763 7.433 7.433 492 HE1 PHE 67 HE2 PHE 67 -7.110 2.837 2.837 493 HE2 PHE 67 HE1 PHE 67 -6.612 6.927 6.927 494 HZ PHE 67 HZ PHE 67 -5.793 4.647 4.647 495 HA PRO 68 HA PRO 68 -13.542 2.974 2.974 496 1HB PRO 68 2HB PRO 68 -12.650 0.424 0.424 497 2HB PRO 68 1HB PRO 68 -12.337 1.706 1.706 498 1HG PRO 68 2HG PRO 68 -10.591 0.891 0.891 499 2HG PRO 68 1HG PRO 68 -10.025 0.843 0.843 500 1HD PRO 68 2HD PRO 68 -9.474 2.986 2.986 501 2HD PRO 68 1HD PRO 68 -10.120 3.322 3.322 502 HA PRO 69 HA PRO 69 -14.204 2.062 2.062 503 1HB PRO 69 2HB PRO 69 -16.755 1.271 1.271 504 2HB PRO 69 1HB PRO 69 -16.351 2.784 2.784 505 1HG PRO 69 2HG PRO 69 -16.679 -0.020 -0.020 506 2HG PRO 69 1HG PRO 69 -17.475 1.464 1.464 507 1HD PRO 69 2HD PRO 69 -15.115 0.531 0.531 508 2HD PRO 69 1HD PRO 69 -15.508 2.266 2.266 509 H PHE 70 H PHE 70 -12.511 0.133 0.133 510 HA PHE 70 HA PHE 70 -12.635 -2.494 -2.494 511 1HB PHE 70 2HB PHE 70 -10.785 -1.214 -1.214 512 2HB PHE 70 1HB PHE 70 -11.655 -1.437 -1.437 513 HD1 PHE 70 HD2 PHE 70 -12.279 -3.984 -3.984 514 HD2 PHE 70 HD1 PHE 70 -9.425 -2.808 -2.808 515 HE1 PHE 70 HE2 PHE 70 -11.239 -6.207 -6.207 516 HE2 PHE 70 HE1 PHE 70 -8.387 -5.014 -5.014 517 HZ PHE 70 HZ PHE 70 -9.257 -6.695 -6.695 518 H HIS 71 H HIS 71 -14.614 -3.325 -3.325 519 HA HIS 71 HA HIS 71 -15.566 -3.913 -3.913 520 1HB HIS 71 2HB HIS 71 -17.047 -2.200 -2.200 521 2HB HIS 71 1HB HIS 71 -17.476 -3.545 -3.545 522 HD1 HIS 71 HD1 HIS 71 -18.000 -2.273 -2.273 523 HD2 HIS 71 HD2 HIS 71 -19.022 -5.618 -5.618 524 HE1 HIS 71 HE1 HIS 71 -19.721 -3.462 -3.462 525 H ALA 72 H ALA 72 -14.272 -5.727 -5.727 526 HA ALA 72 HA ALA 72 -13.794 -7.585 -7.585 527 1HB ALA 72 2HB ALA 72 -14.986 -8.306 -8.306 528 2HB ALA 72 1HB ALA 72 -14.154 -9.392 -9.392 529 3HB ALA 72 3HB ALA 72 -13.269 -8.034 -8.034 530 H ASN 73 H ASN 73 -15.390 -7.492 -7.492 531 HA ASN 73 HA ASN 73 -17.930 -9.059 -9.059 532 1HB ASN 73 2HB ASN 73 -17.305 -6.883 -6.883 533 2HB ASN 73 1HB ASN 73 -18.605 -8.025 -8.025 534 1HD2 ASN 73 2HD2 ASN 73 -19.377 -4.941 -4.941 535 2HD2 ASN 73 1HD2 ASN 73 -17.928 -5.052 -5.052 536 H GLY 74 H GLY 74 -15.296 -10.032 -10.032 537 1HA GLY 74 2HA GLY 74 -15.984 -11.705 -11.705 538 2HA GLY 74 1HA GLY 74 -14.396 -10.984 -10.984 539 H THR 75 H THR 75 -13.174 -11.479 -11.479 540 HA THR 75 HA THR 75 -12.947 -13.091 -13.091 541 HB THR 75 HB THR 75 -14.143 -15.072 -15.072 542 HG1 THR 75 HG1 THR 75 -11.771 -16.268 -16.268 543 1HG2 THR 75 2HG2 THR 75 -13.196 -14.427 -14.427 544 2HG2 THR 75 1HG2 THR 75 -11.627 -14.953 -14.953 545 3HG2 THR 75 3HG2 THR 75 -12.935 -16.105 -16.105 546 H GLU 76 H GLU 76 -10.661 -14.609 -14.609 547 HA GLU 76 HA GLU 76 -8.529 -12.859 -12.859 548 1HB GLU 76 2HB GLU 76 -8.603 -15.193 -15.193 549 2HB GLU 76 1HB GLU 76 -7.153 -14.355 -14.355 550 1HG GLU 76 2HG GLU 76 -7.187 -16.300 -16.300 551 2HG GLU 76 1HG GLU 76 -7.771 -15.046 -15.046 552 H LYS 77 H LYS 77 -10.340 -13.798 -13.798 553 HA LYS 77 HA LYS 77 -9.079 -12.155 -12.155 554 1HB LYS 77 2HB LYS 77 -11.074 -13.848 -13.848 555 2HB LYS 77 1HB LYS 77 -12.101 -12.545 -12.545 556 1HG LYS 77 2HG LYS 77 -10.307 -11.487 -11.487 557 2HG LYS 77 1HG LYS 77 -10.923 -13.008 -13.008 558 1HD LYS 77 2HD LYS 77 -12.627 -10.717 -10.717 559 2HD LYS 77 1HD LYS 77 -12.323 -11.047 -11.047 560 1HE LYS 77 2HE LYS 77 -13.508 -13.193 -13.193 561 2HE LYS 77 1HE LYS 77 -13.686 -13.083 -13.083 562 1HZ LYS 77 2HZ LYS 77 -14.758 -10.725 -10.725 563 2HZ LYS 77 1HZ LYS 77 -15.396 -12.087 -12.087 564 3HZ LYS 77 3HZ LYS 77 -15.542 -11.909 -11.909 565 H ALA 78 H ALA 78 -11.890 -11.170 -11.170 566 HA ALA 78 HA ALA 78 -11.463 -8.431 -8.431 567 1HB ALA 78 1HB ALA 78 -13.418 -9.271 -9.271 568 2HB ALA 78 3HB ALA 78 -13.316 -7.706 -7.706 569 3HB ALA 78 2HB ALA 78 -13.790 -9.090 -9.090 570 H LYS 79 H LYS 79 -10.838 -10.158 -10.158 571 HA LYS 79 HA LYS 79 -10.234 -8.002 -8.002 572 1HB LYS 79 2HB LYS 79 -8.774 -10.718 -10.718 573 2HB LYS 79 1HB LYS 79 -8.822 -9.670 -9.670 574 1HG LYS 79 2HG LYS 79 -11.354 -10.881 -10.881 575 2HG LYS 79 1HG LYS 79 -10.466 -11.753 -11.753 576 1HD LYS 79 2HD LYS 79 -11.655 -8.971 -8.971 577 2HD LYS 79 1HD LYS 79 -12.521 -10.436 -10.436 578 1HE LYS 79 2HE LYS 79 -9.907 -9.928 -9.928 579 2HE LYS 79 1HE LYS 79 -11.310 -9.056 -9.056 580 1HZ LYS 79 1HZ LYS 79 -11.810 -11.874 -11.874 581 2HZ LYS 79 3HZ LYS 79 -10.436 -11.554 -11.554 582 3HZ LYS 79 2HZ LYS 79 -11.909 -10.900 -10.900 583 H LEU 80 H LEU 80 -8.282 -9.925 -9.925 584 HA LEU 80 HA LEU 80 -5.939 -8.218 -8.218 585 1HB LEU 80 2HB LEU 80 -6.657 -10.401 -10.401 586 2HB LEU 80 1HB LEU 80 -5.050 -9.765 -9.765 587 HG LEU 80 HG LEU 80 -6.690 -11.220 -11.220 588 1HD1 LEU 80 3HD1 LEU 80 -4.290 -12.187 -12.187 589 2HD1 LEU 80 2HD1 LEU 80 -5.065 -13.050 -13.050 590 3HD1 LEU 80 1HD1 LEU 80 -5.942 -12.767 -12.767 591 1HD2 LEU 80 2HD2 LEU 80 -5.132 -9.609 -9.609 592 2HD2 LEU 80 1HD2 LEU 80 -4.682 -11.270 -11.270 593 3HD2 LEU 80 3HD2 LEU 80 -3.813 -10.332 -10.332 594 H VAL 81 H VAL 81 -8.339 -8.747 -8.747 595 HA VAL 81 HA VAL 81 -7.183 -6.819 -6.819 596 HB VAL 81 HB VAL 81 -10.096 -7.618 -7.618 597 1HG1 VAL 81 1HG1 VAL 81 -8.871 -5.988 -5.988 598 2HG1 VAL 81 3HG1 VAL 81 -10.517 -6.589 -6.589 599 3HG1 VAL 81 2HG1 VAL 81 -10.017 -5.350 -5.350 600 1HG2 VAL 81 2HG2 VAL 81 -8.482 -9.344 -9.344 601 2HG2 VAL 81 1HG2 VAL 81 -9.642 -8.875 -8.875 602 3HG2 VAL 81 3HG2 VAL 81 -8.007 -8.235 -8.235 603 H GLU 82 H GLU 82 -9.727 -6.194 -6.194 604 HA GLU 82 HA GLU 82 -9.965 -3.441 -3.441 605 1HB GLU 82 2HB GLU 82 -10.531 -4.947 -4.947 606 2HB GLU 82 1HB GLU 82 -10.995 -3.277 -3.277 607 1HG GLU 82 2HG GLU 82 -12.406 -4.017 -4.017 608 2HG GLU 82 1HG GLU 82 -11.974 -5.681 -5.681 609 H LEU 83 H LEU 83 -7.956 -5.144 -5.144 610 HA LEU 83 HA LEU 83 -6.599 -2.900 -2.900 611 1HB LEU 83 2HB LEU 83 -6.194 -5.093 -5.093 612 2HB LEU 83 1HB LEU 83 -5.677 -5.760 -5.760 613 HG LEU 83 HG LEU 83 -3.717 -3.972 -3.972 614 1HD1 LEU 83 3HD1 LEU 83 -4.760 -2.676 -2.676 615 2HD1 LEU 83 2HD1 LEU 83 -4.568 -4.095 -4.095 616 3HD1 LEU 83 1HD1 LEU 83 -3.158 -3.289 -3.289 617 1HD2 LEU 83 1HD2 LEU 83 -3.854 -6.333 -6.333 618 2HD2 LEU 83 3HD2 LEU 83 -3.422 -6.365 -6.365 619 3HD2 LEU 83 2HD2 LEU 83 -2.405 -5.512 -5.512 620 H TYR 84 H TYR 84 -5.360 -5.075 -5.075 621 HA TYR 84 HA TYR 84 -3.246 -4.012 -4.012 622 1HB TYR 84 2HB TYR 84 -4.537 -6.039 -6.039 623 2HB TYR 84 1HB TYR 84 -5.638 -5.046 -5.046 624 HD1 TYR 84 HD2 TYR 84 -4.809 -3.736 -3.736 625 HD2 TYR 84 HD1 TYR 84 -2.294 -6.278 -6.278 626 HE1 TYR 84 HE2 TYR 84 -3.232 -3.568 -3.568 627 HE2 TYR 84 HE1 TYR 84 -0.674 -6.167 -6.167 628 HH TYR 84 HH TYR 84 -1.123 -4.533 -4.533 629 H ARG 85 H ARG 85 -6.194 -3.320 -3.320 630 HA ARG 85 HA ARG 85 -5.546 -1.152 -1.152 631 1HB ARG 85 2HB ARG 85 -7.928 -2.195 -2.195 632 2HB ARG 85 1HB ARG 85 -8.210 -1.217 -1.217 633 1HG ARG 85 2HG ARG 85 -7.535 0.852 0.852 634 2HG ARG 85 1HG ARG 85 -7.551 -0.183 -0.183 635 1HD ARG 85 2HD ARG 85 -9.856 0.618 0.618 636 2HD ARG 85 1HD ARG 85 -9.656 0.966 0.966 637 HE ARG 85 HE ARG 85 -9.818 -1.553 -1.553 638 1HH1 ARG 85 2HH1 ARG 85 -11.430 -0.044 -0.044 639 2HH1 ARG 85 1HH1 ARG 85 -12.588 -1.297 -1.297 640 1HH2 ARG 85 1HH2 ARG 85 -11.364 -3.119 -3.119 641 2HH2 ARG 85 2HH2 ARG 85 -12.573 -3.011 -3.011 642 H MET 86 H MET 86 -6.944 -0.941 -0.941 643 HA MET 86 HA MET 86 -6.777 1.746 1.746 644 1HB MET 86 2HB MET 86 -6.615 -0.715 -0.715 645 2HB MET 86 1HB MET 86 -6.556 0.859 0.859 646 1HG MET 86 2HG MET 86 -8.681 1.390 1.390 647 2HG MET 86 1HG MET 86 -8.626 -0.059 -0.059 648 1HE MET 86 2HE MET 86 -8.629 1.260 1.260 649 2HE MET 86 1HE MET 86 -10.198 1.647 1.647 650 3HE MET 86 3HE MET 86 -10.102 0.562 0.562 651 H VAL 87 H VAL 87 -4.259 -0.561 -0.561 652 HA VAL 87 HA VAL 87 -2.318 1.254 1.254 653 HB VAL 87 HB VAL 87 -2.383 -1.529 -1.529 654 1HG1 VAL 87 2HG1 VAL 87 -0.032 -0.597 -0.597 655 2HG1 VAL 87 1HG1 VAL 87 -0.263 -0.060 -0.060 656 3HG1 VAL 87 3HG1 VAL 87 -0.156 -1.786 -1.786 657 1HG2 VAL 87 1HG2 VAL 87 -2.440 -0.537 -0.537 658 2HG2 VAL 87 3HG2 VAL 87 -3.736 -1.310 -1.310 659 3HG2 VAL 87 2HG2 VAL 87 -2.299 -2.219 -2.219 660 H ALA 88 H ALA 88 -3.212 0.043 0.043 661 HA ALA 88 HA ALA 88 -0.634 0.618 0.618 662 1HB ALA 88 2HB ALA 88 -2.297 -1.035 -1.035 663 2HB ALA 88 1HB ALA 88 -3.388 0.251 0.251 664 3HB ALA 88 3HB ALA 88 -1.818 0.143 0.143 665 H TYR 89 H TYR 89 -3.820 2.175 2.175 666 HA TYR 89 HA TYR 89 -2.738 4.533 4.533 667 1HB TYR 89 2HB TYR 89 -4.945 5.448 5.448 668 2HB TYR 89 1HB TYR 89 -5.340 3.762 3.762 669 HD1 TYR 89 HD1 TYR 89 -5.893 2.945 2.945 670 HD2 TYR 89 HD2 TYR 89 -4.907 7.042 7.042 671 HE1 TYR 89 HE1 TYR 89 -6.674 3.584 3.584 672 HE2 TYR 89 HE2 TYR 89 -5.692 7.591 7.591 673 HH TYR 89 HH TYR 89 -7.402 6.591 6.591 674 H LEU 90 H LEU 90 -3.264 3.686 3.686 675 HA LEU 90 HA LEU 90 -2.446 6.292 6.292 676 1HB LEU 90 2HB LEU 90 -3.849 4.890 4.890 677 2HB LEU 90 1HB LEU 90 -2.624 3.647 3.647 678 HG LEU 90 HG LEU 90 -1.721 6.372 6.372 679 1HD1 LEU 90 3HD1 LEU 90 -3.736 4.821 4.821 680 2HD1 LEU 90 2HD1 LEU 90 -2.786 6.183 6.183 681 3HD1 LEU 90 1HD1 LEU 90 -3.967 6.405 6.405 682 1HD2 LEU 90 1HD2 LEU 90 -1.488 3.551 3.551 683 2HD2 LEU 90 3HD2 LEU 90 -0.236 4.353 4.353 684 3HD2 LEU 90 2HD2 LEU 90 -0.667 4.966 4.966 685 H SER 91 H SER 91 -0.722 3.127 3.127 686 HA SER 91 HA SER 91 1.721 4.008 4.008 687 1HB SER 91 2HB SER 91 1.406 1.615 1.615 688 2HB SER 91 1HB SER 91 1.535 2.186 2.186 689 HG SER 91 HG SER 91 3.564 1.666 1.666 690 H ALA 92 H ALA 92 0.583 4.401 4.401 691 HA ALA 92 HA ALA 92 2.889 5.842 5.842 692 1HB ALA 92 1HB ALA 92 -0.029 5.854 5.854 693 2HB ALA 92 3HB ALA 92 1.341 6.452 6.452 694 3HB ALA 92 2HB ALA 92 1.214 4.746 4.746 695 H SER 93 H SER 93 -0.370 6.907 6.907 696 HA SER 93 HA SER 93 -0.155 9.661 9.661 697 1HB SER 93 2HB SER 93 -2.162 8.281 8.281 698 2HB SER 93 1HB SER 93 -1.389 8.144 8.144 699 HG SER 93 HG SER 93 -1.222 10.646 10.646 700 H LEU 94 H LEU 94 0.564 7.761 7.761 701 HA LEU 94 HA LEU 94 1.851 9.488 9.488 702 1HB LEU 94 2HB LEU 94 1.895 6.567 6.567 703 2HB LEU 94 1HB LEU 94 3.409 7.136 7.136 704 HG LEU 94 HG LEU 94 2.373 8.090 8.090 705 1HD1 LEU 94 3HD1 LEU 94 -0.239 6.937 6.937 706 2HD1 LEU 94 2HD1 LEU 94 -0.045 7.629 7.629 707 3HD1 LEU 94 1HD1 LEU 94 0.090 8.651 8.651 708 1HD2 LEU 94 1HD2 LEU 94 1.588 5.198 5.198 709 2HD2 LEU 94 3HD2 LEU 94 3.128 5.750 5.750 710 3HD2 LEU 94 2HD2 LEU 94 1.681 5.940 5.940 711 H THR 95 H THR 95 3.455 7.466 7.466 712 HA THR 95 HA THR 95 6.037 8.439 8.439 713 HB THR 95 HB THR 95 4.512 7.596 7.596 714 HG1 THR 95 HG1 THR 95 4.636 5.974 5.974 715 1HG2 THR 95 3HG2 THR 95 6.840 8.909 8.909 716 2HG2 THR 95 2HG2 THR 95 7.518 7.674 7.674 717 3HG2 THR 95 1HG2 THR 95 6.876 7.246 7.246 718 H ASN 96 H ASN 96 3.465 10.011 10.011 719 HA ASN 96 HA ASN 96 5.029 12.104 12.104 720 1HB ASN 96 2HB ASN 96 2.207 12.398 12.398 721 2HB ASN 96 1HB ASN 96 2.974 13.512 13.512 722 1HD2 ASN 96 2HD2 ASN 96 1.625 9.948 9.948 723 2HD2 ASN 96 1HD2 ASN 96 1.823 10.186 10.186 724 H ILE 97 H ILE 97 3.448 11.884 11.884 725 HA ILE 97 HA ILE 97 4.295 14.427 14.427 726 HB ILE 97 HB ILE 97 3.719 11.819 11.819 727 1HG1 ILE 97 2HG1 ILE 97 1.708 13.116 13.116 728 2HG1 ILE 97 1HG1 ILE 97 2.154 14.365 14.365 729 1HG2 ILE 97 2HG2 ILE 97 4.233 14.560 14.560 730 2HG2 ILE 97 1HG2 ILE 97 3.693 13.143 13.143 731 3HG2 ILE 97 3HG2 ILE 97 5.284 13.163 13.163 732 1HD1 ILE 97 3HD1 ILE 97 1.591 11.478 11.478 733 2HD1 ILE 97 2HD1 ILE 97 0.423 12.779 12.779 734 3HD1 ILE 97 1HD1 ILE 97 1.859 12.820 12.820 735 H THR 98 H THR 98 5.667 11.225 11.225 736 HA THR 98 HA THR 98 7.890 11.612 11.612 737 HB THR 98 HB THR 98 7.846 10.068 10.068 738 HG1 THR 98 HG1 THR 98 6.859 8.661 8.661 739 1HG2 THR 98 2HG2 THR 98 10.206 10.411 10.411 740 2HG2 THR 98 1HG2 THR 98 9.682 9.658 9.658 741 3HG2 THR 98 3HG2 THR 98 9.644 8.748 8.748 742 H ARG 99 H ARG 99 7.842 12.392 12.392 743 HA ARG 99 HA ARG 99 10.427 13.717 13.717 744 1HB ARG 99 2HB ARG 99 9.516 12.715 12.715 745 2HB ARG 99 1HB ARG 99 8.156 13.808 13.808 746 1HG ARG 99 2HG ARG 99 9.746 14.621 14.621 747 2HG ARG 99 1HG ARG 99 9.666 15.758 15.758 748 1HD ARG 99 2HD ARG 99 11.769 14.924 14.924 749 2HD ARG 99 1HD ARG 99 11.832 13.584 13.584 750 HE ARG 99 HE ARG 99 12.188 16.489 16.489 751 1HH1 ARG 99 2HH1 ARG 99 12.546 13.176 13.176 752 2HH1 ARG 99 1HH1 ARG 99 13.520 13.472 13.472 753 1HH2 ARG 99 1HH2 ARG 99 13.420 16.971 16.971 754 2HH2 ARG 99 2HH2 ARG 99 14.076 15.743 15.743 755 H ASP 100 H ASP 100 7.217 15.159 15.159 756 HA ASP 100 HA ASP 100 7.710 17.805 17.805 757 1HB ASP 100 2HB ASP 100 5.344 16.211 16.211 758 2HB ASP 100 1HB ASP 100 5.321 17.965 17.965 759 H GLN 101 H GLN 101 7.200 15.768 15.768 760 HA GLN 101 HA GLN 101 7.444 18.033 18.033 761 1HB GLN 101 2HB GLN 101 6.470 15.305 15.305 762 2HB GLN 101 1HB GLN 101 7.677 15.541 15.541 763 1HG GLN 101 2HG GLN 101 5.399 16.149 16.149 764 2HG GLN 101 1HG GLN 101 6.376 17.605 17.605 765 1HE2 GLN 101 2HE2 GLN 101 3.891 19.064 19.064 766 2HE2 GLN 101 1HE2 GLN 101 5.070 19.359 19.359 767 H LYS 102 H LYS 102 9.405 15.251 15.251 768 HA LYS 102 HA LYS 102 11.557 15.625 15.625 769 1HB LYS 102 2HB LYS 102 11.484 13.762 13.762 770 2HB LYS 102 1HB LYS 102 11.759 14.969 14.969 771 1HG LYS 102 2HG LYS 102 13.747 14.676 14.676 772 2HG LYS 102 1HG LYS 102 13.725 13.473 13.473 773 1HD LYS 102 2HD LYS 102 14.364 15.140 15.140 774 2HD LYS 102 1HD LYS 102 14.074 16.474 16.474 775 1HE LYS 102 2HE LYS 102 16.505 15.986 15.986 776 2HE LYS 102 1HE LYS 102 15.878 15.759 15.759 777 1HZ LYS 102 2HZ LYS 102 15.645 13.327 13.327 778 2HZ LYS 102 1HZ LYS 102 17.256 13.879 13.879 779 3HZ LYS 102 3HZ LYS 102 16.509 13.662 13.662 780 H VAL 103 H VAL 103 10.634 17.297 17.297 781 HA VAL 103 HA VAL 103 13.025 19.076 19.076 782 HB VAL 103 HB VAL 103 10.591 19.080 19.080 783 1HG1 VAL 103 1HG1 VAL 103 13.335 20.410 20.410 784 2HG1 VAL 103 3HG1 VAL 103 12.071 20.429 20.429 785 3HG1 VAL 103 2HG1 VAL 103 11.834 21.260 21.260 786 1HG2 VAL 103 2HG2 VAL 103 11.907 16.949 16.949 787 2HG2 VAL 103 1HG2 VAL 103 12.085 17.861 17.861 788 3HG2 VAL 103 3HG2 VAL 103 13.375 17.866 17.866 789 H LEU 104 H LEU 104 9.615 19.196 19.196 790 HA LEU 104 HA LEU 104 9.458 22.038 22.038 791 1HB LEU 104 2HB LEU 104 7.465 20.545 20.545 792 2HB LEU 104 1HB LEU 104 7.776 19.842 19.842 793 HG LEU 104 HG LEU 104 5.851 21.506 21.506 794 1HD1 LEU 104 3HD1 LEU 104 6.653 20.652 20.652 795 2HD1 LEU 104 2HD1 LEU 104 7.854 21.936 21.936 796 3HD1 LEU 104 1HD1 LEU 104 6.157 22.326 22.326 797 1HD2 LEU 104 2HD2 LEU 104 7.047 23.306 23.306 798 2HD2 LEU 104 1HD2 LEU 104 6.456 23.886 23.886 799 3HD2 LEU 104 3HD2 LEU 104 8.151 23.512 23.512 800 H ASN 105 H ASN 105 10.099 19.413 19.413 801 HA ASN 105 HA ASN 105 11.121 21.666 21.666 802 1HB ASN 105 2HB ASN 105 8.596 20.499 20.499 803 2HB ASN 105 1HB ASN 105 9.627 19.826 19.826 804 1HD2 ASN 105 2HD2 ASN 105 9.366 23.898 23.898 805 2HD2 ASN 105 1HD2 ASN 105 9.299 23.019 23.019 806 HA PRO 106 HA PRO 106 14.495 19.156 19.156 807 1HB PRO 106 2HB PRO 106 15.428 20.621 20.621 808 2HB PRO 106 1HB PRO 106 15.568 21.195 21.195 809 1HG PRO 106 2HG PRO 106 13.308 21.812 21.812 810 2HG PRO 106 1HG PRO 106 14.314 22.981 22.981 811 1HD PRO 106 2HD PRO 106 11.935 22.332 22.332 812 2HD PRO 106 1HD PRO 106 13.307 22.423 22.423 813 H SER 107 H SER 107 11.701 19.428 19.428 814 HA SER 107 HA SER 107 12.311 17.585 17.585 815 1HB SER 107 2HB SER 107 9.806 18.399 18.399 816 2HB SER 107 1HB SER 107 11.073 19.636 19.636 817 HG SER 107 HG SER 107 10.075 20.637 20.637 818 H ALA 108 H ALA 108 10.076 18.416 18.416 819 HA ALA 108 HA ALA 108 8.553 16.158 16.158 820 1HB ALA 108 2HB ALA 108 9.723 17.910 17.910 821 2HB ALA 108 1HB ALA 108 8.381 16.790 16.790 822 3HB ALA 108 3HB ALA 108 8.214 18.202 18.202 823 H VAL 109 H VAL 109 11.903 16.877 16.877 824 HA VAL 109 HA VAL 109 12.358 14.799 14.799 825 HB VAL 109 HB VAL 109 14.741 14.679 14.679 826 1HG1 VAL 109 2HG1 VAL 109 13.721 17.529 17.529 827 2HG1 VAL 109 1HG1 VAL 109 15.403 17.052 17.052 828 3HG1 VAL 109 3HG1 VAL 109 14.271 16.468 16.468 829 1HG2 VAL 109 3HG2 VAL 109 13.671 16.506 16.506 830 2HG2 VAL 109 2HG2 VAL 109 14.343 14.911 14.911 831 3HG2 VAL 109 1HG2 VAL 109 15.379 16.219 16.219 832 H SER 110 H SER 110 12.266 14.724 14.724 833 HA SER 110 HA SER 110 12.936 11.909 11.909 834 1HB SER 110 2HB SER 110 11.183 13.558 13.558 835 2HB SER 110 1HB SER 110 12.419 12.359 12.359 836 HG SER 110 HG SER 110 12.696 14.993 14.993 837 H LEU 111 H LEU 111 9.994 13.751 13.751 838 HA LEU 111 HA LEU 111 8.043 11.762 11.762 839 1HB LEU 111 2HB LEU 111 7.345 14.025 14.025 840 2HB LEU 111 1HB LEU 111 8.063 14.294 14.294 841 HG LEU 111 HG LEU 111 5.655 12.500 12.500 842 1HD1 LEU 111 3HD1 LEU 111 5.987 15.474 15.474 843 2HD1 LEU 111 2HD1 LEU 111 4.449 14.662 14.662 844 3HD1 LEU 111 1HD1 LEU 111 5.293 14.819 14.819 845 1HD2 LEU 111 1HD2 LEU 111 6.862 14.054 14.054 846 2HD2 LEU 111 3HD2 LEU 111 6.941 12.315 12.315 847 3HD2 LEU 111 2HD2 LEU 111 5.409 13.094 13.094 848 H HIS 112 H HIS 112 9.623 12.689 12.689 849 HA HIS 112 HA HIS 112 8.238 10.715 10.715 850 1HB HIS 112 2HB HIS 112 9.652 11.304 11.304 851 2HB HIS 112 1HB HIS 112 9.793 12.705 12.705 852 HD1 HIS 112 HD1 HIS 112 11.851 9.491 9.491 853 HD2 HIS 112 HD2 HIS 112 12.136 13.542 13.542 854 HE1 HIS 112 HE1 HIS 112 14.276 10.000 10.000 855 H SER 113 H SER 113 11.588 10.425 10.425 856 HA SER 113 HA SER 113 12.211 7.837 7.837 857 1HB SER 113 2HB SER 113 12.389 9.118 9.118 858 2HB SER 113 1HB SER 113 13.106 7.540 7.540 859 HG SER 113 HG SER 113 14.588 8.629 8.629 860 H LYS 114 H LYS 114 10.010 8.553 8.553 861 HA LYS 114 HA LYS 114 9.365 5.765 5.765 862 1HB LYS 114 2HB LYS 114 7.589 8.224 8.224 863 2HB LYS 114 1HB LYS 114 7.129 6.631 6.631 864 1HG LYS 114 2HG LYS 114 8.226 7.074 7.074 865 2HG LYS 114 1HG LYS 114 9.712 6.876 6.876 866 1HD LYS 114 2HD LYS 114 9.951 9.004 9.004 867 2HD LYS 114 1HD LYS 114 9.562 9.364 9.364 868 1HE LYS 114 2HE LYS 114 8.193 10.730 10.730 869 2HE LYS 114 1HE LYS 114 7.172 9.717 9.717 870 1HZ LYS 114 3HZ LYS 114 7.919 8.404 8.404 871 2HZ LYS 114 2HZ LYS 114 7.150 9.909 9.909 872 3HZ LYS 114 1HZ LYS 114 6.404 8.673 8.673 873 H LEU 115 H LEU 115 7.769 8.168 8.168 874 HA LEU 115 HA LEU 115 5.710 6.696 6.696 875 1HB LEU 115 2HB LEU 115 6.894 9.229 9.229 876 2HB LEU 115 1HB LEU 115 6.986 8.449 8.449 877 HG LEU 115 HG LEU 115 4.519 7.894 7.894 878 1HD1 LEU 115 2HD1 LEU 115 4.777 9.831 9.831 879 2HD1 LEU 115 1HD1 LEU 115 3.244 9.235 9.235 880 3HD1 LEU 115 3HD1 LEU 115 4.368 8.124 8.124 881 1HD2 LEU 115 1HD2 LEU 115 5.265 10.877 10.877 882 2HD2 LEU 115 3HD2 LEU 115 5.266 9.863 9.863 883 3HD2 LEU 115 2HD2 LEU 115 3.752 10.243 10.243 884 H ASN 116 H ASN 116 9.075 6.928 6.928 885 HA ASN 116 HA ASN 116 9.046 5.446 5.446 886 1HB ASN 116 2HB ASN 116 11.173 5.268 5.268 887 2HB ASN 116 1HB ASN 116 11.336 4.587 4.587 888 1HD2 ASN 116 2HD2 ASN 116 12.533 7.518 7.518 889 2HD2 ASN 116 1HD2 ASN 116 12.271 5.831 5.831 890 H ALA 117 H ALA 117 9.376 4.307 4.307 891 HA ALA 117 HA ALA 117 9.496 1.579 1.579 892 1HB ALA 117 1HB ALA 117 8.312 2.559 2.559 893 2HB ALA 117 3HB ALA 117 8.710 0.896 0.896 894 3HB ALA 117 2HB ALA 117 9.990 2.088 2.088 895 H THR 118 H THR 118 6.746 3.325 3.325 896 HA THR 118 HA THR 118 4.724 1.465 1.465 897 HB THR 118 HB THR 118 3.285 3.759 3.759 898 HG1 THR 118 HG1 THR 118 5.571 4.599 4.599 899 1HG2 THR 118 1HG2 THR 118 4.707 3.459 3.459 900 2HG2 THR 118 3HG2 THR 118 3.239 4.381 4.381 901 3HG2 THR 118 2HG2 THR 118 3.207 2.612 2.612 902 H ILE 119 H ILE 119 6.073 3.565 3.565 903 HA ILE 119 HA ILE 119 4.234 2.828 2.828 904 HB ILE 119 HB ILE 119 7.006 4.108 4.108 905 1HG1 ILE 119 2HG1 ILE 119 4.315 5.373 5.373 906 2HG1 ILE 119 1HG1 ILE 119 4.850 5.283 5.283 907 1HG2 ILE 119 1HG2 ILE 119 6.617 3.009 3.009 908 2HG2 ILE 119 3HG2 ILE 119 5.074 3.837 3.837 909 3HG2 ILE 119 2HG2 ILE 119 6.583 4.753 4.753 910 1HD1 ILE 119 3HD1 ILE 119 6.398 6.625 6.625 911 2HD1 ILE 119 2HD1 ILE 119 5.450 7.459 7.459 912 3HD1 ILE 119 1HD1 ILE 119 6.878 6.572 6.572 913 H ASP 120 H ASP 120 7.630 1.744 1.744 914 HA ASP 120 HA ASP 120 7.233 -0.151 -0.151 915 1HB ASP 120 2HB ASP 120 9.512 0.409 0.409 916 2HB ASP 120 1HB ASP 120 9.534 -1.088 -1.088 917 H VAL 121 H VAL 121 6.984 -0.396 -0.396 918 HA VAL 121 HA VAL 121 6.942 -3.286 -3.286 919 HB VAL 121 HB VAL 121 5.940 -3.047 -3.047 920 1HG1 VAL 121 3HG1 VAL 121 8.020 -0.892 -0.892 921 2HG1 VAL 121 2HG1 VAL 121 7.540 -1.569 -1.569 922 3HG1 VAL 121 1HG1 VAL 121 8.294 -2.585 -2.585 923 1HG2 VAL 121 3HG2 VAL 121 5.439 -0.174 -0.174 924 2HG2 VAL 121 2HG2 VAL 121 4.213 -1.389 -1.389 925 3HG2 VAL 121 1HG2 VAL 121 5.172 -0.881 -0.881 926 H MET 122 H MET 122 4.693 -0.647 -0.647 927 HA MET 122 HA MET 122 2.339 -2.297 -2.297 928 1HB MET 122 2HB MET 122 3.080 0.540 0.540 929 2HB MET 122 1HB MET 122 1.775 -0.169 -0.169 930 1HG MET 122 2HG MET 122 0.822 -0.840 -0.840 931 2HG MET 122 1HG MET 122 2.124 0.136 0.136 932 1HE MET 122 2HE MET 122 1.754 2.038 2.038 933 2HE MET 122 1HE MET 122 2.265 2.867 2.867 934 3HE MET 122 3HE MET 122 0.867 3.424 3.424 935 H ARG 123 H ARG 123 4.558 -0.896 -0.896 936 HA ARG 123 HA ARG 123 3.334 -2.253 -2.253 937 1HB ARG 123 2HB ARG 123 6.339 -1.796 -1.796 938 2HB ARG 123 1HB ARG 123 5.580 -2.262 -2.262 939 1HG ARG 123 2HG ARG 123 4.129 -0.070 -0.070 940 2HG ARG 123 1HG ARG 123 5.372 0.391 0.391 941 1HD ARG 123 2HD ARG 123 5.746 -0.219 -0.219 942 2HD ARG 123 1HD ARG 123 6.042 1.283 1.283 943 HE ARG 123 HE ARG 123 7.908 0.274 0.274 944 1HH1 ARG 123 2HH1 ARG 123 6.831 -1.527 -1.527 945 2HH1 ARG 123 1HH1 ARG 123 8.326 -2.334 -2.334 946 1HH2 ARG 123 1HH2 ARG 123 9.755 -0.686 -0.686 947 2HH2 ARG 123 2HH2 ARG 123 10.100 -1.846 -1.846 948 H GLY 124 H GLY 124 6.016 -3.401 -3.401 949 1HA GLY 124 2HA GLY 124 6.321 -5.961 -5.961 950 2HA GLY 124 1HA GLY 124 6.562 -5.626 -5.626 951 H LEU 125 H LEU 125 4.063 -4.888 -4.888 952 HA LEU 125 HA LEU 125 2.726 -7.389 -7.389 953 1HB LEU 125 2HB LEU 125 2.558 -5.063 -5.063 954 2HB LEU 125 1HB LEU 125 1.353 -4.646 -4.646 955 HG LEU 125 HG LEU 125 1.250 -6.996 -6.996 956 1HD1 LEU 125 2HD1 LEU 125 0.879 -4.828 -4.828 957 2HD1 LEU 125 1HD1 LEU 125 -0.354 -4.418 -4.418 958 3HD1 LEU 125 3HD1 LEU 125 -0.602 -5.762 -5.762 959 1HD2 LEU 125 2HD2 LEU 125 -0.791 -6.027 -6.027 960 2HD2 LEU 125 1HD2 LEU 125 0.090 -7.544 -7.544 961 3HD2 LEU 125 3HD2 LEU 125 -1.074 -7.289 -7.289 962 H LEU 126 H LEU 126 1.657 -4.651 -4.651 963 HA LEU 126 HA LEU 126 -0.340 -5.933 -5.933 964 1HB LEU 126 2HB LEU 126 1.758 -3.954 -3.954 965 2HB LEU 126 1HB LEU 126 0.748 -4.663 -4.663 966 HG LEU 126 HG LEU 126 -1.194 -4.140 -4.140 967 1HD1 LEU 126 2HD1 LEU 126 0.803 -2.042 -2.042 968 2HD1 LEU 126 1HD1 LEU 126 -0.896 -2.146 -2.146 969 3HD1 LEU 126 3HD1 LEU 126 0.215 -3.303 -3.303 970 1HD2 LEU 126 2HD2 LEU 126 -1.198 -3.057 -3.057 971 2HD2 LEU 126 1HD2 LEU 126 -1.666 -2.100 -2.100 972 3HD2 LEU 126 3HD2 LEU 126 -0.081 -1.854 -1.854 973 H SER 127 H SER 127 3.103 -6.275 -6.275 974 HA SER 127 HA SER 127 2.580 -8.168 -8.168 975 1HB SER 127 2HB SER 127 4.967 -7.895 -7.895 976 2HB SER 127 1HB SER 127 4.924 -9.093 -9.093 977 HG SER 127 HG SER 127 5.128 -7.536 -7.536 978 H ASN 128 H ASN 128 3.205 -8.680 -8.680 979 HA ASN 128 HA ASN 128 2.823 -11.497 -11.497 980 1HB ASN 128 2HB ASN 128 1.814 -9.477 -9.477 981 2HB ASN 128 1HB ASN 128 1.884 -11.195 -11.195 982 1HD2 ASN 128 2HD2 ASN 128 5.651 -9.731 -9.731 983 2HD2 ASN 128 1HD2 ASN 128 4.600 -9.449 -9.449 984 H VAL 129 H VAL 129 0.351 -8.884 -8.884 985 HA VAL 129 HA VAL 129 -1.786 -10.793 -10.793 986 HB VAL 129 HB VAL 129 -1.549 -7.993 -7.993 987 1HG1 VAL 129 2HG1 VAL 129 -4.088 -9.696 -9.696 988 2HG1 VAL 129 1HG1 VAL 129 -4.094 -7.976 -7.976 989 3HG1 VAL 129 3HG1 VAL 129 -3.319 -9.050 -9.050 990 1HG2 VAL 129 1HG2 VAL 129 -3.109 -9.228 -9.228 991 2HG2 VAL 129 3HG2 VAL 129 -1.628 -8.308 -8.308 992 3HG2 VAL 129 2HG2 VAL 129 -3.116 -7.517 -7.517 993 H LEU 130 H LEU 130 -1.035 -8.976 -8.976 994 HA LEU 130 HA LEU 130 -2.335 -10.534 -10.534 995 1HB LEU 130 2HB LEU 130 -0.017 -8.731 -8.731 996 2HB LEU 130 1HB LEU 130 0.055 -9.942 -9.942 997 HG LEU 130 HG LEU 130 -1.190 -7.811 -7.811 998 1HD1 LEU 130 2HD1 LEU 130 -2.830 -10.403 -10.403 999 2HD1 LEU 130 1HD1 LEU 130 -3.060 -9.032 -9.032 1000 3HD1 LEU 130 3HD1 LEU 130 -1.579 -9.955 -9.955 1001 1HD2 LEU 130 2HD2 LEU 130 -2.387 -7.478 -7.478 1002 2HD2 LEU 130 1HD2 LEU 130 -3.448 -7.454 -7.454 1003 3HD2 LEU 130 3HD2 LEU 130 -3.394 -8.868 -8.868 1004 H CYS 131 H CYS 131 0.839 -11.225 -11.225 1005 HA CYS 131 HA CYS 131 1.557 -13.410 -13.410 1006 1HB CYS 131 2HB CYS 131 2.180 -13.037 -13.037 1007 2HB CYS 131 1HB CYS 131 3.079 -14.054 -14.054 1008 H ARG 132 H ARG 132 -0.162 -13.313 -13.313 1009 HA ARG 132 HA ARG 132 -0.718 -16.216 -16.216 1010 1HB ARG 132 2HB ARG 132 -1.168 -14.094 -14.094 1011 2HB ARG 132 1HB ARG 132 -1.818 -15.705 -15.705 1012 1HG ARG 132 2HG ARG 132 1.102 -15.167 -15.167 1013 2HG ARG 132 1HG ARG 132 0.563 -15.259 -15.259 1014 1HD ARG 132 2HD ARG 132 0.773 -17.433 -17.433 1015 2HD ARG 132 1HD ARG 132 1.282 -17.539 -17.539 1016 HE ARG 132 HE ARG 132 -1.495 -17.855 -17.855 1017 1HH1 ARG 132 2HH1 ARG 132 0.620 -17.922 -17.922 1018 2HH1 ARG 132 1HH1 ARG 132 -0.501 -18.759 -18.759 1019 1HH2 ARG 132 1HH2 ARG 132 -2.910 -18.897 -18.897 1020 2HH2 ARG 132 2HH2 ARG 132 -2.590 -19.323 -19.323 1021 H LEU 133 H LEU 133 -2.631 -13.304 -13.304 1022 HA LEU 133 HA LEU 133 -5.207 -14.124 -14.124 1023 1HB LEU 133 2HB LEU 133 -4.020 -11.832 -11.832 1024 2HB LEU 133 1HB LEU 133 -4.535 -12.471 -12.471 1025 HG LEU 133 HG LEU 133 -6.897 -12.647 -12.647 1026 1HD1 LEU 133 2HD1 LEU 133 -5.666 -10.959 -10.959 1027 2HD1 LEU 133 1HD1 LEU 133 -7.364 -11.254 -11.254 1028 3HD1 LEU 133 3HD1 LEU 133 -6.300 -12.570 -12.570 1029 1HD2 LEU 133 1HD2 LEU 133 -6.125 -10.863 -10.863 1030 2HD2 LEU 133 3HD2 LEU 133 -7.332 -10.308 -10.308 1031 3HD2 LEU 133 2HD2 LEU 133 -5.642 -9.904 -9.904 1032 H CYS 134 H CYS 134 -3.382 -14.359 -14.359 1033 HA CYS 134 HA CYS 134 -5.152 -15.543 -15.543 1034 1HB CYS 134 2HB CYS 134 -2.225 -16.139 -16.139 1035 2HB CYS 134 1HB CYS 134 -3.166 -16.961 -16.961 1036 H ASN 135 H ASN 135 -3.620 -17.182 -17.182 1037 HA ASN 135 HA ASN 135 -3.849 -19.816 -19.816 1038 1HB ASN 135 2HB ASN 135 -4.764 -17.957 -17.957 1039 2HB ASN 135 1HB ASN 135 -5.657 -19.452 -19.452 1040 1HD2 ASN 135 2HD2 ASN 135 -2.789 -21.368 -21.368 1041 2HD2 ASN 135 1HD2 ASN 135 -4.267 -21.528 -21.528 1042 H LYS 136 H LYS 136 -6.752 -18.002 -18.002 1043 HA LYS 136 HA LYS 136 -8.322 -19.788 -19.788 1044 1HB LYS 136 2HB LYS 136 -9.233 -18.747 -18.747 1045 2HB LYS 136 1HB LYS 136 -10.193 -19.731 -19.731 1046 1HG LYS 136 2HG LYS 136 -8.469 -21.605 -21.605 1047 2HG LYS 136 1HG LYS 136 -7.692 -20.603 -20.603 1048 1HD LYS 136 2HD LYS 136 -9.667 -20.455 -20.455 1049 2HD LYS 136 1HD LYS 136 -10.687 -21.216 -21.216 1050 1HE LYS 136 2HE LYS 136 -8.460 -22.574 -22.574 1051 2HE LYS 136 1HE LYS 136 -10.183 -22.768 -22.768 1052 1HZ LYS 136 3HZ LYS 136 -9.607 -23.350 -23.350 1053 2HZ LYS 136 2HZ LYS 136 -8.548 -24.230 -24.230 1054 3HZ LYS 136 1HZ LYS 136 -10.219 -24.382 -24.382 1055 H TYR 137 H TYR 137 -7.174 -16.947 -16.947 1056 HA TYR 137 HA TYR 137 -9.687 -15.592 -15.592 1057 1HB TYR 137 2HB TYR 137 -7.336 -14.226 -14.226 1058 2HB TYR 137 1HB TYR 137 -8.914 -13.535 -13.535 1059 HD1 TYR 137 HD1 TYR 137 -10.708 -15.784 -15.784 1060 HD2 TYR 137 HD2 TYR 137 -7.196 -14.246 -14.246 1061 HE1 TYR 137 HE1 TYR 137 -11.473 -16.555 -16.555 1062 HE2 TYR 137 HE2 TYR 137 -7.945 -14.998 -14.998 1063 HH TYR 137 HH TYR 137 -9.653 -16.614 -16.614 1064 H ARG 138 H ARG 138 -8.569 -17.024 -17.024 1065 HA ARG 138 HA ARG 138 -6.505 -15.607 -15.607 1066 1HB ARG 138 2HB ARG 138 -6.156 -18.073 -18.073 1067 2HB ARG 138 1HB ARG 138 -7.677 -18.450 -18.450 1068 1HG ARG 138 2HG ARG 138 -6.835 -17.764 -17.764 1069 2HG ARG 138 1HG ARG 138 -5.424 -17.008 -17.008 1070 1HD ARG 138 2HD ARG 138 -4.430 -19.033 -19.033 1071 2HD ARG 138 1HD ARG 138 -5.032 -19.558 -19.558 1072 HE ARG 138 HE ARG 138 -7.024 -20.519 -20.519 1073 1HH1 ARG 138 2HH1 ARG 138 -4.436 -19.655 -19.655 1074 2HH1 ARG 138 1HH1 ARG 138 -4.922 -20.775 -20.775 1075 1HH2 ARG 138 1HH2 ARG 138 -7.701 -21.901 -21.901 1076 2HH2 ARG 138 2HH2 ARG 138 -6.869 -22.077 -22.077 1077 H VAL 139 H VAL 139 -8.610 -14.258 -14.258 1078 HA VAL 139 HA VAL 139 -10.339 -14.866 -14.866 1079 HB VAL 139 HB VAL 139 -11.594 -14.566 -14.566 1080 1HG1 VAL 139 3HG1 VAL 139 -9.957 -13.115 -13.115 1081 2HG1 VAL 139 2HG1 VAL 139 -10.387 -11.763 -11.763 1082 3HG1 VAL 139 1HG1 VAL 139 -11.579 -12.471 -12.471 1083 1HG2 VAL 139 2HG2 VAL 139 -12.663 -13.687 -13.687 1084 2HG2 VAL 139 1HG2 VAL 139 -13.121 -12.713 -12.713 1085 3HG2 VAL 139 3HG2 VAL 139 -11.919 -12.120 -12.120 1086 H GLY 140 H GLY 140 -8.758 -12.052 -12.052 1087 1HA GLY 140 2HA GLY 140 -7.146 -10.708 -10.708 1088 2HA GLY 140 1HA GLY 140 -8.044 -11.106 -11.106 1089 H HIS 141 H HIS 141 -8.829 -9.777 -9.777 1090 HA HIS 141 HA HIS 141 -9.928 -7.352 -7.352 1091 1HB HIS 141 2HB HIS 141 -11.999 -7.518 -7.518 1092 2HB HIS 141 1HB HIS 141 -11.826 -8.967 -8.967 1093 HD1 HIS 141 HD1 HIS 141 -13.462 -9.760 -9.760 1094 HD2 HIS 141 HD2 HIS 141 -9.543 -9.348 -9.348 1095 HE1 HIS 141 HE1 HIS 141 -13.167 -11.010 -11.010 1096 H VAL 142 H VAL 142 -7.547 -8.018 -8.018 1097 HA VAL 142 HA VAL 142 -8.225 -6.379 -6.379 1098 HB VAL 142 HB VAL 142 -5.433 -7.488 -7.488 1099 1HG1 VAL 142 2HG1 VAL 142 -6.904 -6.834 -6.834 1100 2HG1 VAL 142 1HG1 VAL 142 -5.268 -7.436 -7.436 1101 3HG1 VAL 142 3HG1 VAL 142 -5.655 -5.861 -5.861 1102 1HG2 VAL 142 1HG2 VAL 142 -7.040 -9.402 -9.402 1103 2HG2 VAL 142 3HG2 VAL 142 -5.915 -9.502 -9.502 1104 3HG2 VAL 142 2HG2 VAL 142 -7.591 -9.042 -9.042 1105 H ASP 143 H ASP 143 -5.988 -6.741 -6.741 1106 HA ASP 143 HA ASP 143 -4.308 -4.963 -4.963 1107 1HB ASP 143 2HB ASP 143 -6.509 -5.412 -5.412 1108 2HB ASP 143 1HB ASP 143 -4.806 -5.184 -5.184 1109 H VAL 144 H VAL 144 -4.938 -3.357 -3.357 1110 HA VAL 144 HA VAL 144 -6.419 -1.102 -1.102 1111 HB VAL 144 HB VAL 144 -7.481 -1.900 -1.900 1112 1HG1 VAL 144 2HG1 VAL 144 -4.888 -1.161 -1.161 1113 2HG1 VAL 144 1HG1 VAL 144 -6.381 -1.647 -1.647 1114 3HG1 VAL 144 3HG1 VAL 144 -5.527 -2.782 -2.782 1115 1HG2 VAL 144 2HG2 VAL 144 -7.702 0.477 0.477 1116 2HG2 VAL 144 1HG2 VAL 144 -7.652 0.309 0.309 1117 3HG2 VAL 144 3HG2 VAL 144 -6.232 0.863 0.863 1118 HA PRO 145 HA PRO 145 -2.567 1.138 1.138 1119 1HB PRO 145 2HB PRO 145 -2.763 3.068 3.068 1120 2HB PRO 145 1HB PRO 145 -2.609 1.384 1.384 1121 1HG PRO 145 2HG PRO 145 -5.127 3.105 3.105 1122 2HG PRO 145 1HG PRO 145 -4.676 1.975 1.975 1123 1HD PRO 145 2HD PRO 145 -6.358 1.385 1.385 1124 2HD PRO 145 1HD PRO 145 -5.690 0.201 0.201 1125 HA PRO 146 HA PRO 146 -3.795 3.972 3.972 1126 1HB PRO 146 2HB PRO 146 -1.897 5.962 5.962 1127 2HB PRO 146 1HB PRO 146 -1.490 4.295 4.295 1128 1HG PRO 146 2HG PRO 146 -1.296 5.590 5.590 1129 2HG PRO 146 1HG PRO 146 -0.003 4.806 4.806 1130 1HD PRO 146 2HD PRO 146 -1.378 3.343 3.343 1131 2HD PRO 146 1HD PRO 146 -1.067 2.605 2.605 1132 H VAL 147 H VAL 147 -4.425 6.304 6.304 1133 HA VAL 147 HA VAL 147 -5.142 8.127 8.127 1134 HB VAL 147 HB VAL 147 -6.804 6.384 6.384 1135 1HG1 VAL 147 1HG1 VAL 147 -6.840 5.358 5.358 1136 2HG1 VAL 147 3HG1 VAL 147 -7.664 6.763 6.763 1137 3HG1 VAL 147 2HG1 VAL 147 -8.462 5.736 5.736 1138 1HG2 VAL 147 1HG2 VAL 147 -7.586 8.687 8.687 1139 2HG2 VAL 147 3HG2 VAL 147 -8.901 7.675 7.675 1140 3HG2 VAL 147 2HG2 VAL 147 -8.138 8.801 8.801 1141 HA PRO 148 HA PRO 148 -4.861 10.012 10.012 1142 1HB PRO 148 2HB PRO 148 -2.878 11.836 11.836 1143 2HB PRO 148 1HB PRO 148 -2.517 10.141 10.141 1144 1HG PRO 148 2HG PRO 148 -2.817 11.456 11.456 1145 2HG PRO 148 1HG PRO 148 -1.448 10.511 10.511 1146 1HD PRO 148 2HD PRO 148 -3.396 9.323 9.323 1147 2HD PRO 148 1HD PRO 148 -2.721 8.430 8.430 1148 H ASP 149 H ASP 149 -6.622 11.263 11.263 1149 HA ASP 149 HA ASP 149 -7.028 13.698 13.698 1150 1HB ASP 149 2HB ASP 149 -8.690 11.899 11.899 1151 2HB ASP 149 1HB ASP 149 -9.204 11.826 11.826 1152 H HIS 150 H HIS 150 -5.831 14.711 14.711 1153 HA HIS 150 HA HIS 150 -7.428 15.067 15.067 1154 1HB HIS 150 2HB HIS 150 -5.074 15.857 15.857 1155 2HB HIS 150 1HB HIS 150 -5.243 14.148 14.148 1156 HD1 HIS 150 HD1 HIS 150 -4.359 17.236 17.236 1157 HD2 HIS 150 HD2 HIS 150 -3.221 13.339 13.339 1158 HE1 HIS 150 HE1 HIS 150 -2.523 16.868 16.868 1159 H SER 151 H SER 151 -7.579 16.627 16.627 1160 HA SER 151 HA SER 151 -6.824 19.339 19.339 1161 1HB SER 151 2HB SER 151 -8.028 19.564 19.564 1162 2HB SER 151 1HB SER 151 -6.342 19.058 19.058 1163 HG SER 151 HG SER 151 -8.479 17.473 17.473 1164 H ASP 152 H ASP 152 -8.804 18.217 18.217 1165 HA ASP 152 HA ASP 152 -11.347 19.513 19.513 1166 1HB ASP 152 2HB ASP 152 -10.971 18.444 18.444 1167 2HB ASP 152 1HB ASP 152 -12.366 18.317 18.317 1168 H LYS 153 H LYS 153 -8.603 19.927 19.927 1169 HA LYS 153 HA LYS 153 -9.617 22.596 22.596 1170 1HB LYS 153 2HB LYS 153 -7.861 20.736 20.736 1171 2HB LYS 153 1HB LYS 153 -8.599 22.159 22.159 1172 1HG LYS 153 2HG LYS 153 -10.922 20.971 20.971 1173 2HG LYS 153 1HG LYS 153 -9.979 19.564 19.564 1174 1HD LYS 153 2HD LYS 153 -10.444 19.084 19.084 1175 2HD LYS 153 1HD LYS 153 -8.862 19.783 19.783 1176 1HE LYS 153 2HE LYS 153 -11.482 20.800 20.800 1177 2HE LYS 153 1HE LYS 153 -9.890 21.011 21.011 1178 1HZ LYS 153 1HZ LYS 153 -10.142 22.425 22.425 1179 2HZ LYS 153 3HZ LYS 153 -11.339 22.881 22.881 1180 3HZ LYS 153 2HZ LYS 153 -9.689 23.009 23.009 1181 H GLU 154 H GLU 154 -8.069 24.276 24.276 1182 HA GLU 154 HA GLU 154 -5.743 24.001 24.001 1183 1HB GLU 154 2HB GLU 154 -7.146 25.899 25.899 1184 2HB GLU 154 1HB GLU 154 -7.160 26.282 26.282 1185 1HG GLU 154 2HG GLU 154 -5.911 27.924 27.924 1186 2HG GLU 154 1HG GLU 154 -4.780 27.188 27.188 1187 H VAL 155 H VAL 155 -5.314 26.147 26.147 1188 HA VAL 155 HA VAL 155 -2.707 25.800 25.800 1189 HB VAL 155 HB VAL 155 -5.092 26.409 26.409 1190 1HG1 VAL 155 2HG1 VAL 155 -2.116 26.848 26.848 1191 2HG1 VAL 155 1HG1 VAL 155 -3.436 27.410 27.410 1192 3HG1 VAL 155 3HG1 VAL 155 -3.145 25.694 25.694 1193 1HG2 VAL 155 1HG2 VAL 155 -3.049 28.234 28.234 1194 2HG2 VAL 155 3HG2 VAL 155 -4.721 28.074 28.074 1195 3HG2 VAL 155 2HG2 VAL 155 -4.330 28.782 28.782 1196 H PHE 156 H PHE 156 -5.437 24.141 24.141 1197 HA PHE 156 HA PHE 156 -4.190 22.325 22.325 1198 1HB PHE 156 2HB PHE 156 -6.558 21.565 21.565 1199 2HB PHE 156 1HB PHE 156 -6.257 21.112 21.112 1200 HD1 PHE 156 HD2 PHE 156 -7.464 23.856 23.856 1201 HD2 PHE 156 HD1 PHE 156 -6.925 22.526 22.526 1202 HE1 PHE 156 HE2 PHE 156 -8.962 25.619 25.619 1203 HE2 PHE 156 HE1 PHE 156 -8.423 24.295 24.295 1204 HZ PHE 156 HZ PHE 156 -9.448 25.839 25.839 1205 H GLN 157 H GLN 157 -5.256 21.610 21.610 1206 HA GLN 157 HA GLN 157 -4.201 19.076 19.076 1207 1HB GLN 157 2HB GLN 157 -5.301 20.069 20.069 1208 2HB GLN 157 1HB GLN 157 -4.181 21.410 21.410 1209 1HG GLN 157 2HG GLN 157 -3.322 18.496 18.496 1210 2HG GLN 157 1HG GLN 157 -4.126 19.433 19.433 1211 1HE2 GLN 157 2HE2 GLN 157 -0.221 20.092 20.092 1212 2HE2 GLN 157 1HE2 GLN 157 -1.056 18.911 18.911 1213 H LYS 158 H LYS 158 -2.494 22.006 22.006 1214 HA LYS 158 HA LYS 158 0.009 20.895 20.895 1215 1HB LYS 158 2HB LYS 158 -0.836 23.477 23.477 1216 2HB LYS 158 1HB LYS 158 -0.352 23.436 23.436 1217 1HG LYS 158 2HG LYS 158 1.441 24.433 24.433 1218 2HG LYS 158 1HG LYS 158 1.974 22.856 22.856 1219 1HD LYS 158 2HD LYS 158 1.560 21.851 21.851 1220 2HD LYS 158 1HD LYS 158 0.695 23.279 23.279 1221 1HE LYS 158 2HE LYS 158 2.946 23.238 23.238 1222 2HE LYS 158 1HE LYS 158 2.755 24.625 24.625 1223 1HZ LYS 158 3HZ LYS 158 3.689 22.385 22.385 1224 2HZ LYS 158 2HZ LYS 158 4.664 22.612 22.612 1225 3HZ LYS 158 1HZ LYS 158 4.433 23.868 23.868 1226 H LYS 159 H LYS 159 -1.331 20.944 20.944 1227 HA LYS 159 HA LYS 159 1.246 19.999 19.999 1228 1HB LYS 159 2HB LYS 159 -1.258 21.114 21.114 1229 2HB LYS 159 1HB LYS 159 0.264 20.748 20.748 1230 1HG LYS 159 2HG LYS 159 1.426 22.470 22.470 1231 2HG LYS 159 1HG LYS 159 -0.058 22.774 22.774 1232 1HD LYS 159 2HD LYS 159 0.171 24.569 24.569 1233 2HD LYS 159 1HD LYS 159 -1.128 23.557 23.557 1234 1HE LYS 159 2HE LYS 159 0.372 22.558 22.558 1235 2HE LYS 159 1HE LYS 159 1.749 23.454 23.454 1236 1HZ LYS 159 3HZ LYS 159 -0.392 25.270 25.270 1237 2HZ LYS 159 2HZ LYS 159 -0.136 24.252 24.252 1238 3HZ LYS 159 1HZ LYS 159 1.141 25.163 25.163 1239 H LYS 160 H LYS 160 -2.126 19.303 19.303 1240 HA LYS 160 HA LYS 160 -1.899 16.699 16.699 1241 1HB LYS 160 2HB LYS 160 -4.352 16.700 16.700 1242 2HB LYS 160 1HB LYS 160 -3.945 18.416 18.416 1243 1HG LYS 160 2HG LYS 160 -4.069 18.757 18.757 1244 2HG LYS 160 1HG LYS 160 -4.536 17.101 17.101 1245 1HD LYS 160 2HD LYS 160 -6.620 17.610 17.610 1246 2HD LYS 160 1HD LYS 160 -6.116 19.248 19.248 1247 1HE LYS 160 2HE LYS 160 -7.864 18.692 18.692 1248 2HE LYS 160 1HE LYS 160 -6.394 19.312 19.312 1249 1HZ LYS 160 1HZ LYS 160 -6.221 16.503 16.503 1250 2HZ LYS 160 3HZ LYS 160 -7.751 16.940 16.940 1251 3HZ LYS 160 2HZ LYS 160 -6.371 17.515 17.515 1252 H LEU 161 H LEU 161 -1.077 17.644 17.644 1253 HA LEU 161 HA LEU 161 -2.107 16.167 16.167 1254 1HB LEU 161 2HB LEU 161 0.229 17.285 17.285 1255 2HB LEU 161 1HB LEU 161 0.845 15.891 15.891 1256 HG LEU 161 HG LEU 161 0.245 14.470 14.470 1257 1HD1 LEU 161 3HD1 LEU 161 -0.432 17.177 17.177 1258 2HD1 LEU 161 2HD1 LEU 161 -0.379 15.638 15.638 1259 3HD1 LEU 161 1HD1 LEU 161 -1.601 15.928 15.928 1260 1HD2 LEU 161 3HD2 LEU 161 2.029 16.884 16.884 1261 2HD2 LEU 161 2HD2 LEU 161 2.541 15.411 15.411 1262 3HD2 LEU 161 1HD2 LEU 161 2.028 15.363 15.363 1263 H GLY 162 H GLY 162 -0.358 14.666 14.666 1264 1HA GLY 162 2HA GLY 162 -1.592 12.020 12.020 1265 2HA GLY 162 1HA GLY 162 -0.043 12.156 12.156 1266 H CYS 163 H CYS 163 -2.061 14.466 14.466 1267 HA CYS 163 HA CYS 163 -2.384 12.858 12.858 1268 1HB CYS 163 2HB CYS 163 -1.881 15.415 15.415 1269 2HB CYS 163 1HB CYS 163 -3.615 15.550 15.550 1270 H GLN 164 H GLN 164 -4.500 14.310 14.310 1271 HA GLN 164 HA GLN 164 -6.929 13.347 13.347 1272 1HB GLN 164 2HB GLN 164 -6.147 13.887 13.887 1273 2HB GLN 164 1HB GLN 164 -7.604 12.975 12.975 1274 1HG GLN 164 2HG GLN 164 -8.285 14.925 14.925 1275 2HG GLN 164 1HG GLN 164 -6.915 15.753 15.753 1276 1HE2 GLN 164 2HE2 GLN 164 -9.387 15.060 15.060 1277 2HE2 GLN 164 1HE2 GLN 164 -8.525 13.806 13.806 1278 H LEU 165 H LEU 165 -4.391 11.839 11.839 1279 HA LEU 165 HA LEU 165 -5.662 9.263 9.263 1280 1HB LEU 165 2HB LEU 165 -2.754 10.207 10.207 1281 2HB LEU 165 1HB LEU 165 -3.166 8.548 8.548 1282 HG LEU 165 HG LEU 165 -2.817 10.138 10.138 1283 1HD1 LEU 165 2HD1 LEU 165 -5.167 8.192 8.192 1284 2HD1 LEU 165 1HD1 LEU 165 -4.369 8.750 8.750 1285 3HD1 LEU 165 3HD1 LEU 165 -3.502 7.736 7.736 1286 1HD2 LEU 165 3HD2 LEU 165 -4.558 11.817 11.817 1287 2HD2 LEU 165 2HD2 LEU 165 -4.922 11.004 11.004 1288 3HD2 LEU 165 1HD2 LEU 165 -5.788 10.565 10.565 1289 H LEU 166 H LEU 166 -3.270 10.484 10.484 1290 HA LEU 166 HA LEU 166 -3.371 7.965 7.965 1291 1HB LEU 166 2HB LEU 166 -2.551 10.677 10.677 1292 2HB LEU 166 1HB LEU 166 -2.915 9.584 9.584 1293 HG LEU 166 HG LEU 166 -0.508 9.498 9.498 1294 1HD1 LEU 166 3HD1 LEU 166 -1.519 7.400 7.400 1295 2HD1 LEU 166 2HD1 LEU 166 -2.029 6.889 6.889 1296 3HD1 LEU 166 1HD1 LEU 166 -0.350 6.973 6.973 1297 1HD2 LEU 166 3HD2 LEU 166 -1.582 8.422 8.422 1298 2HD2 LEU 166 2HD2 LEU 166 -0.741 9.941 9.941 1299 3HD2 LEU 166 1HD2 LEU 166 0.101 8.424 8.424 1300 H GLY 167 H GLY 167 -5.298 10.814 10.814 1301 1HA GLY 167 2HA GLY 167 -6.694 9.883 9.883 1302 2HA GLY 167 1HA GLY 167 -7.503 10.769 10.769 1303 H THR 168 H THR 168 -7.693 9.354 9.354 1304 HA THR 168 HA THR 168 -9.786 7.473 7.473 1305 HB THR 168 HB THR 168 -8.182 7.906 7.906 1306 HG1 THR 168 HG1 THR 168 -9.210 9.807 9.807 1307 1HG2 THR 168 3HG2 THR 168 -10.556 6.597 6.597 1308 2HG2 THR 168 2HG2 THR 168 -11.218 8.142 8.142 1309 3HG2 THR 168 1HG2 THR 168 -10.441 8.012 8.012 1310 H TYR 169 H TYR 169 -6.512 7.009 7.009 1311 HA TYR 169 HA TYR 169 -6.135 4.309 4.309 1312 1HB TYR 169 2HB TYR 169 -4.435 5.902 5.902 1313 2HB TYR 169 1HB TYR 169 -4.380 6.415 6.415 1314 HD1 TYR 169 HD1 TYR 169 -3.167 5.092 5.092 1315 HD2 TYR 169 HD2 TYR 169 -3.011 4.025 4.025 1316 HE1 TYR 169 HE1 TYR 169 -1.106 3.761 3.761 1317 HE2 TYR 169 HE2 TYR 169 -0.986 2.734 2.734 1318 HH TYR 169 HH TYR 169 0.785 3.308 3.308 1319 H LYS 170 H LYS 170 -6.068 6.129 6.129 1320 HA LYS 170 HA LYS 170 -5.265 4.113 4.113 1321 1HB LYS 170 2HB LYS 170 -5.669 6.687 6.687 1322 2HB LYS 170 1HB LYS 170 -7.353 6.265 6.265 1323 1HG LYS 170 2HG LYS 170 -6.655 4.815 4.815 1324 2HG LYS 170 1HG LYS 170 -5.073 5.569 5.569 1325 1HD LYS 170 2HD LYS 170 -7.780 6.901 6.901 1326 2HD LYS 170 1HD LYS 170 -6.437 6.855 6.855 1327 1HE LYS 170 2HE LYS 170 -5.091 8.347 8.347 1328 2HE LYS 170 1HE LYS 170 -6.451 8.401 8.401 1329 1HZ LYS 170 2HZ LYS 170 -7.421 9.087 9.087 1330 2HZ LYS 170 1HZ LYS 170 -6.024 10.002 10.002 1331 3HZ LYS 170 3HZ LYS 170 -7.328 10.064 10.064 1332 H GLN 171 H GLN 171 -8.525 5.053 5.053 1333 HA GLN 171 HA GLN 171 -9.835 2.995 2.995 1334 1HB GLN 171 2HB GLN 171 -10.887 4.264 4.264 1335 2HB GLN 171 1HB GLN 171 -11.833 3.630 3.630 1336 1HG GLN 171 2HG GLN 171 -10.090 6.165 6.165 1337 2HG GLN 171 1HG GLN 171 -11.833 6.087 6.087 1338 1HE2 GLN 171 2HE2 GLN 171 -11.968 5.759 5.759 1339 2HE2 GLN 171 1HE2 GLN 171 -12.808 6.054 6.054 1340 H VAL 172 H VAL 172 -8.968 3.089 3.089 1341 HA VAL 172 HA VAL 172 -10.099 0.500 0.500 1342 HB VAL 172 HB VAL 172 -8.801 1.044 1.044 1343 1HG1 VAL 172 2HG1 VAL 172 -10.412 3.314 3.314 1344 2HG1 VAL 172 1HG1 VAL 172 -10.093 3.026 3.026 1345 3HG1 VAL 172 3HG1 VAL 172 -11.103 1.908 1.908 1346 1HG2 VAL 172 1HG2 VAL 172 -7.898 3.385 3.385 1347 2HG2 VAL 172 3HG2 VAL 172 -6.878 2.065 2.065 1348 3HG2 VAL 172 2HG2 VAL 172 -7.698 3.106 3.106 1349 H ILE 173 H ILE 173 -6.770 1.619 1.619 1350 HA ILE 173 HA ILE 173 -5.443 -0.862 -0.862 1351 HB ILE 173 HB ILE 173 -4.912 1.591 1.591 1352 1HG1 ILE 173 2HG1 ILE 173 -4.739 1.647 1.647 1353 2HG1 ILE 173 1HG1 ILE 173 -3.362 2.212 2.212 1354 1HG2 ILE 173 3HG2 ILE 173 -3.084 -0.777 -0.777 1355 2HG2 ILE 173 2HG2 ILE 173 -2.634 0.765 0.765 1356 3HG2 ILE 173 1HG2 ILE 173 -3.840 -0.249 -0.249 1357 1HD1 ILE 173 1HD1 ILE 173 -3.643 -0.577 -0.577 1358 2HD1 ILE 173 3HD1 ILE 173 -2.714 0.738 0.738 1359 3HD1 ILE 173 2HD1 ILE 173 -2.210 0.021 0.021 1360 H SER 174 H SER 174 -6.843 0.647 0.647 1361 HA SER 174 HA SER 174 -6.429 -1.465 -1.465 1362 1HB SER 174 2HB SER 174 -8.893 0.295 0.295 1363 2HB SER 174 1HB SER 174 -8.312 -0.626 -0.626 1364 HG SER 174 HG SER 174 -7.189 1.644 1.644 1365 H VAL 175 H VAL 175 -8.543 -1.327 -1.327 1366 HA VAL 175 HA VAL 175 -10.172 -3.620 -3.620 1367 HB VAL 175 HB VAL 175 -10.335 -1.618 -1.618 1368 1HG1 VAL 175 2HG1 VAL 175 -12.040 -4.115 -4.115 1369 2HG1 VAL 175 1HG1 VAL 175 -12.337 -2.814 -2.814 1370 3HG1 VAL 175 3HG1 VAL 175 -10.904 -3.809 -3.809 1371 1HG2 VAL 175 3HG2 VAL 175 -11.152 -0.985 -0.985 1372 2HG2 VAL 175 2HG2 VAL 175 -12.472 -1.096 -1.096 1373 3HG2 VAL 175 1HG2 VAL 175 -12.202 -2.396 -2.396 1374 H VAL 176 H VAL 176 -7.575 -2.780 -2.780 1375 HA VAL 176 HA VAL 176 -8.014 -5.331 -5.331 1376 HB VAL 176 HB VAL 176 -6.244 -4.746 -4.746 1377 1HG1 VAL 176 1HG1 VAL 176 -8.619 -4.018 -4.018 1378 2HG1 VAL 176 3HG1 VAL 176 -8.269 -2.546 -2.546 1379 3HG1 VAL 176 2HG1 VAL 176 -7.556 -2.831 -2.831 1380 1HG2 VAL 176 2HG2 VAL 176 -4.892 -3.350 -3.350 1381 2HG2 VAL 176 1HG2 VAL 176 -5.311 -2.461 -2.461 1382 3HG2 VAL 176 3HG2 VAL 176 -6.316 -2.315 -2.315 1383 H VAL 177 H VAL 177 -5.862 -3.837 -3.837 1384 HA VAL 177 HA VAL 177 -3.714 -5.653 -5.653 1385 HB VAL 177 HB VAL 177 -4.051 -3.227 -3.227 1386 1HG1 VAL 177 2HG1 VAL 177 -6.144 -3.473 -3.473 1387 2HG1 VAL 177 1HG1 VAL 177 -5.455 -4.567 -4.567 1388 3HG1 VAL 177 3HG1 VAL 177 -4.916 -2.901 -2.901 1389 1HG2 VAL 177 2HG2 VAL 177 -2.932 -5.302 -5.302 1390 2HG2 VAL 177 1HG2 VAL 177 -2.041 -4.438 -4.438 1391 3HG2 VAL 177 3HG2 VAL 177 -2.655 -3.594 -3.594 1392 H GLN 178 H GLN 178 -6.913 -5.401 -5.401 1393 HA GLN 178 HA GLN 178 -6.741 -7.795 -7.795 1394 1HB GLN 178 2HB GLN 178 -7.937 -5.638 -5.638 1395 2HB GLN 178 1HB GLN 178 -9.161 -5.946 -5.946 1396 1HG GLN 178 2HG GLN 178 -9.694 -8.129 -8.129 1397 2HG GLN 178 1HG GLN 178 -8.398 -7.945 -7.945 1398 1HE2 GLN 178 2HE2 GLN 178 -10.585 -6.264 -6.264 1399 2HE2 GLN 178 1HE2 GLN 178 -9.227 -7.273 -7.273 1400 H ALA 179 H ALA 179 -8.094 -6.613 -6.613 1401 HA ALA 179 HA ALA 179 -10.047 -8.472 -8.472 1402 1HB ALA 179 3HB ALA 179 -7.877 -7.402 -7.402 1403 2HB ALA 179 2HB ALA 179 -9.327 -8.119 -8.119 1404 3HB ALA 179 1HB ALA 179 -9.444 -6.648 -6.648 1405 H PHE 180 H PHE 180 -6.623 -8.753 -8.753 1406 HA PHE 180 HA PHE 180 -6.880 -11.718 -11.718 1407 1HB PHE 180 2HB PHE 180 -4.859 -11.518 -11.518 1408 2HB PHE 180 1HB PHE 180 -6.436 -11.022 -11.022 1409 HD1 PHE 180 HD2 PHE 180 -3.516 -9.475 -9.475 1410 HD2 PHE 180 HD1 PHE 180 -6.549 -9.024 -9.024 1411 HE1 PHE 180 HE2 PHE 180 -2.705 -7.231 -7.231 1412 HE2 PHE 180 HE1 PHE 180 -5.754 -6.790 -6.790 1413 HZ PHE 180 HZ PHE 180 -3.798 -5.889 -5.889 Start of MODEL 17 1 1H SER 1 2H SER 1 -9.415 1.271 1.271 2 2H SER 1 1H SER 1 -10.127 1.586 1.586 3 3H SER 1 3H SER 1 -10.849 2.206 2.206 4 HA SER 1 HA SER 1 -12.067 0.364 0.364 5 1HB SER 1 2HB SER 1 -10.346 -0.876 -0.876 6 2HB SER 1 1HB SER 1 -12.102 -1.021 -1.021 7 HG SER 1 HG SER 1 -12.167 0.735 0.735 8 HA PRO 2 HA PRO 2 -9.815 -2.283 -2.283 9 1HB PRO 2 2HB PRO 2 -10.740 -4.830 -4.830 10 2HB PRO 2 1HB PRO 2 -11.735 -3.547 -3.547 11 1HG PRO 2 2HG PRO 2 -11.585 -4.444 -4.444 12 2HG PRO 2 1HG PRO 2 -13.036 -4.338 -4.338 13 1HD PRO 2 2HD PRO 2 -12.451 -2.285 -2.285 14 2HD PRO 2 1HD PRO 2 -12.943 -1.907 -1.907 15 H LEU 3 H LEU 3 -7.806 -1.828 -1.828 16 HA LEU 3 HA LEU 3 -6.636 -4.162 -4.162 17 1HB LEU 3 2HB LEU 3 -5.690 -1.275 -1.275 18 2HB LEU 3 1HB LEU 3 -5.009 -2.553 -2.553 19 HG LEU 3 HG LEU 3 -7.875 -1.506 -1.506 20 1HD1 LEU 3 3HD1 LEU 3 -5.442 -1.124 -1.124 21 2HD1 LEU 3 2HD1 LEU 3 -7.060 -0.547 -0.547 22 3HD1 LEU 3 1HD1 LEU 3 -6.167 0.120 0.120 23 1HD2 LEU 3 2HD2 LEU 3 -6.346 -3.505 -3.505 24 2HD2 LEU 3 1HD2 LEU 3 -7.685 -3.908 -3.908 25 3HD2 LEU 3 3HD2 LEU 3 -7.955 -2.895 -2.895 26 HA PRO 4 HA PRO 4 -4.448 -4.078 -4.078 27 1HB PRO 4 2HB PRO 4 -4.604 -6.730 -6.730 28 2HB PRO 4 1HB PRO 4 -5.975 -5.655 -5.655 29 1HG PRO 4 2HG PRO 4 -5.409 -7.379 -7.379 30 2HG PRO 4 1HG PRO 4 -6.881 -7.379 -7.379 31 1HD PRO 4 2HD PRO 4 -6.779 -5.873 -5.873 32 2HD PRO 4 1HD PRO 4 -7.553 -5.205 -5.205 33 H ILE 5 H ILE 5 -2.988 -3.608 -3.608 34 HA ILE 5 HA ILE 5 -1.296 -5.592 -5.592 35 HB ILE 5 HB ILE 5 -0.658 -2.642 -2.642 36 1HG1 ILE 5 2HG1 ILE 5 -1.793 -3.978 -3.978 37 2HG1 ILE 5 1HG1 ILE 5 -2.766 -3.072 -3.072 38 1HG2 ILE 5 1HG2 ILE 5 1.385 -3.981 -3.981 39 2HG2 ILE 5 3HG2 ILE 5 0.604 -4.577 -4.577 40 3HG2 ILE 5 2HG2 ILE 5 1.009 -2.877 -2.877 41 1HD1 ILE 5 2HD1 ILE 5 -1.406 -1.028 -1.028 42 2HD1 ILE 5 1HD1 ILE 5 -0.462 -1.920 -1.920 43 3HD1 ILE 5 3HD1 ILE 5 -2.170 -1.647 -1.647 44 H THR 6 H THR 6 -0.742 -3.579 -3.579 45 HA THR 6 HA THR 6 1.530 -5.360 -5.360 46 HB THR 6 HB THR 6 1.038 -2.508 -2.508 47 HG1 THR 6 HG1 THR 6 1.849 -2.030 -2.030 48 1HG2 THR 6 2HG2 THR 6 2.702 -4.023 -4.023 49 2HG2 THR 6 1HG2 THR 6 3.560 -4.248 -4.248 50 3HG2 THR 6 3HG2 THR 6 3.462 -2.652 -2.652 51 HA PRO 7 HA PRO 7 -1.342 -6.389 -6.389 52 1HB PRO 7 2HB PRO 7 -0.167 -8.895 -8.895 53 2HB PRO 7 1HB PRO 7 -1.571 -8.610 -8.610 54 1HG PRO 7 2HG PRO 7 1.379 -8.577 -8.577 55 2HG PRO 7 1HG PRO 7 0.063 -9.526 -9.526 56 1HD PRO 7 2HD PRO 7 0.729 -7.217 -7.217 57 2HD PRO 7 1HD PRO 7 -1.005 -7.496 -7.496 58 H VAL 8 H VAL 8 -0.571 -6.600 -6.600 59 HA VAL 8 HA VAL 8 2.266 -6.484 -6.484 60 HB VAL 8 HB VAL 8 2.057 -4.241 -4.241 61 1HG1 VAL 8 3HG1 VAL 8 -0.411 -3.963 -3.963 62 2HG1 VAL 8 2HG1 VAL 8 -0.308 -3.734 -3.734 63 3HG1 VAL 8 1HG1 VAL 8 0.418 -2.575 -2.575 64 1HG2 VAL 8 3HG2 VAL 8 3.418 -4.411 -4.411 65 2HG2 VAL 8 2HG2 VAL 8 2.667 -2.828 -2.828 66 3HG2 VAL 8 1HG2 VAL 8 2.023 -4.033 -4.033 67 H ASN 9 H ASN 9 -0.872 -5.499 -5.499 68 HA ASN 9 HA ASN 9 -0.065 -6.859 -6.859 69 1HB ASN 9 2HB ASN 9 -1.612 -4.316 -4.316 70 2HB ASN 9 1HB ASN 9 -1.977 -5.280 -5.280 71 1HD2 ASN 9 2HD2 ASN 9 1.934 -4.403 -4.403 72 2HD2 ASN 9 1HD2 ASN 9 1.374 -5.473 -5.473 73 H ALA 10 H ALA 10 -1.872 -7.415 -7.415 74 HA ALA 10 HA ALA 10 -3.998 -8.804 -8.804 75 1HB ALA 10 1HB ALA 10 -4.223 -7.673 -7.673 76 2HB ALA 10 3HB ALA 10 -5.479 -8.542 -8.542 77 3HB ALA 10 2HB ALA 10 -4.959 -6.966 -6.966 78 H THR 11 H THR 11 -1.344 -9.785 -9.785 79 HA THR 11 HA THR 11 -2.389 -12.259 -12.259 80 HB THR 11 HB THR 11 0.229 -10.947 -10.947 81 HG1 THR 11 HG1 THR 11 -2.520 -10.571 -10.571 82 1HG2 THR 11 1HG2 THR 11 -0.390 -13.441 -13.441 83 2HG2 THR 11 3HG2 THR 11 -1.854 -12.822 -12.822 84 3HG2 THR 11 2HG2 THR 11 -0.292 -12.396 -12.396 85 H CYS 12 H CYS 12 -1.847 -11.802 -11.802 86 HA CYS 12 HA CYS 12 0.490 -12.348 -12.348 87 1HB CYS 12 2HB CYS 12 -0.923 -13.811 -13.811 88 2HB CYS 12 1HB CYS 12 -1.509 -12.195 -12.195 89 H ALA 13 H ALA 13 -1.167 -14.669 -14.669 90 HA ALA 13 HA ALA 13 -0.209 -17.105 -17.105 91 1HB ALA 13 2HB ALA 13 -0.189 -15.923 -15.923 92 2HB ALA 13 1HB ALA 13 -0.154 -17.638 -17.638 93 3HB ALA 13 3HB ALA 13 -1.573 -16.676 -16.676 94 H ILE 14 H ILE 14 1.573 -14.902 -14.902 95 HA ILE 14 HA ILE 14 4.061 -16.525 -16.525 96 HB ILE 14 HB ILE 14 5.022 -15.803 -15.803 97 1HG1 ILE 14 2HG1 ILE 14 4.603 -13.531 -13.531 98 2HG1 ILE 14 1HG1 ILE 14 3.760 -14.326 -14.326 99 1HG2 ILE 14 3HG2 ILE 14 3.417 -17.634 -17.634 100 2HG2 ILE 14 2HG2 ILE 14 2.098 -16.503 -16.503 101 3HG2 ILE 14 1HG2 ILE 14 3.364 -16.646 -16.646 102 1HD1 ILE 14 2HD1 ILE 14 1.613 -14.104 -14.104 103 2HD1 ILE 14 1HD1 ILE 14 2.504 -13.247 -13.247 104 3HD1 ILE 14 3HD1 ILE 14 2.369 -12.554 -12.554 105 H ARG 15 H ARG 15 3.065 -14.816 -14.816 106 HA ARG 15 HA ARG 15 4.797 -12.377 -12.377 107 1HB ARG 15 2HB ARG 15 2.597 -11.969 -11.969 108 2HB ARG 15 1HB ARG 15 2.604 -13.431 -13.431 109 1HG ARG 15 2HG ARG 15 4.084 -12.549 -12.549 110 2HG ARG 15 1HG ARG 15 4.398 -11.124 -11.124 111 1HD ARG 15 2HD ARG 15 1.560 -11.878 -11.878 112 2HD ARG 15 1HD ARG 15 2.499 -11.013 -11.013 113 HE ARG 15 HE ARG 15 1.617 -10.079 -10.079 114 1HH1 ARG 15 2HH1 ARG 15 3.572 -9.607 -9.607 115 2HH1 ARG 15 1HH1 ARG 15 4.001 -8.006 -8.006 116 1HH2 ARG 15 1HH2 ARG 15 1.978 -7.933 -7.933 117 2HH2 ARG 15 2HH2 ARG 15 2.886 -6.939 -6.939 118 H HIS 16 H HIS 16 4.123 -14.408 -14.408 119 HA HIS 16 HA HIS 16 6.933 -15.319 -15.319 120 1HB HIS 16 2HB HIS 16 5.497 -13.432 -13.432 121 2HB HIS 16 1HB HIS 16 6.384 -14.733 -14.733 122 HD1 HIS 16 HD1 HIS 16 7.624 -13.019 -13.019 123 HD2 HIS 16 HD2 HIS 16 8.499 -13.169 -13.169 124 HE1 HIS 16 HE1 HIS 16 9.757 -11.817 -11.817 125 HA PRO 17 HA PRO 17 4.208 -18.758 -18.758 126 1HB PRO 17 2HB PRO 17 6.024 -20.729 -20.729 127 2HB PRO 17 1HB PRO 17 5.895 -20.001 -20.001 128 1HG PRO 17 2HG PRO 17 7.845 -19.267 -19.267 129 2HG PRO 17 1HG PRO 17 8.239 -19.642 -19.642 130 1HD PRO 17 2HD PRO 17 7.943 -17.035 -17.035 131 2HD PRO 17 1HD PRO 17 7.434 -17.534 -17.534 132 H CYS 18 H CYS 18 3.941 -17.097 -17.097 133 HA CYS 18 HA CYS 18 5.175 -17.537 -17.537 134 1HB CYS 18 2HB CYS 18 2.441 -16.517 -16.517 135 2HB CYS 18 1HB CYS 18 2.867 -16.676 -16.676 136 H HIS 19 H HIS 19 4.265 -18.280 -18.280 137 HA HIS 19 HA HIS 19 3.142 -21.023 -21.023 138 1HB HIS 19 2HB HIS 19 4.478 -19.992 -19.992 139 2HB HIS 19 1HB HIS 19 4.428 -21.634 -21.634 140 HD1 HIS 19 HD1 HIS 19 5.880 -21.710 -21.710 141 HD2 HIS 19 HD2 HIS 19 6.886 -18.841 -18.841 142 HE1 HIS 19 HE1 HIS 19 8.140 -20.929 -20.929 143 H GLY 20 H GLY 20 2.040 -21.671 -21.671 144 1HA GLY 20 2HA GLY 20 -0.329 -19.970 -19.970 145 2HA GLY 20 1HA GLY 20 -0.089 -21.507 -21.507 146 H ASN 21 H ASN 21 1.354 -18.266 -18.266 147 HA ASN 21 HA ASN 21 1.165 -18.437 -18.437 148 1HB ASN 21 2HB ASN 21 3.208 -16.884 -16.884 149 2HB ASN 21 1HB ASN 21 3.099 -16.805 -16.805 150 1HD2 ASN 21 2HD2 ASN 21 5.397 -19.618 -19.618 151 2HD2 ASN 21 1HD2 ASN 21 5.104 -18.139 -18.139 152 H LEU 22 H LEU 22 1.971 -15.383 -15.383 153 HA LEU 22 HA LEU 22 0.803 -13.398 -13.398 154 1HB LEU 22 2HB LEU 22 -0.329 -14.818 -14.818 155 2HB LEU 22 1HB LEU 22 -1.654 -15.089 -15.089 156 HG LEU 22 HG LEU 22 -1.724 -12.496 -12.496 157 1HD1 LEU 22 3HD1 LEU 22 -0.191 -12.723 -12.723 158 2HD1 LEU 22 2HD1 LEU 22 -0.872 -11.250 -11.250 159 3HD1 LEU 22 1HD1 LEU 22 0.470 -12.021 -12.021 160 1HD2 LEU 22 1HD2 LEU 22 -3.446 -13.860 -13.860 161 2HD2 LEU 22 3HD2 LEU 22 -3.184 -12.326 -12.326 162 3HD2 LEU 22 2HD2 LEU 22 -2.519 -13.788 -13.788 163 H MET 23 H MET 23 -1.635 -15.630 -15.630 164 HA MET 23 HA MET 23 -3.235 -14.336 -14.336 165 1HB MET 23 2HB MET 23 -3.015 -16.854 -16.854 166 2HB MET 23 1HB MET 23 -1.787 -16.824 -16.824 167 1HG MET 23 2HG MET 23 -3.437 -15.832 -15.832 168 2HG MET 23 1HG MET 23 -4.629 -15.804 -15.804 169 1HE MET 23 3HE MET 23 -2.291 -17.736 -17.736 170 2HE MET 23 2HE MET 23 -3.636 -18.058 -18.058 171 3HE MET 23 1HE MET 23 -2.925 -19.358 -19.358 172 H ASN 24 H ASN 24 0.079 -14.975 -14.975 173 HA ASN 24 HA ASN 24 -0.494 -13.082 -13.082 174 1HB ASN 24 2HB ASN 24 1.213 -14.313 -14.313 175 2HB ASN 24 1HB ASN 24 0.055 -15.497 -15.497 176 1HD2 ASN 24 2HD2 ASN 24 3.845 -15.880 -15.880 177 2HD2 ASN 24 1HD2 ASN 24 3.371 -14.947 -14.947 178 H GLN 25 H GLN 25 0.907 -13.287 -13.287 179 HA GLN 25 HA GLN 25 3.434 -11.858 -11.858 180 1HB GLN 25 2HB GLN 25 3.367 -13.623 -13.623 181 2HB GLN 25 1HB GLN 25 2.168 -12.666 -12.666 182 1HG GLN 25 2HG GLN 25 4.933 -11.546 -11.546 183 2HG GLN 25 1HG GLN 25 4.597 -12.419 -12.419 184 1HE2 GLN 25 2HE2 GLN 25 3.458 -8.606 -8.606 185 2HE2 GLN 25 1HE2 GLN 25 4.452 -9.361 -9.361 186 H ILE 26 H ILE 26 0.416 -11.272 -11.272 187 HA ILE 26 HA ILE 26 1.099 -8.426 -8.426 188 HB ILE 26 HB ILE 26 -1.251 -8.172 -8.172 189 1HG1 ILE 26 2HG1 ILE 26 -1.409 -11.236 -11.236 190 2HG1 ILE 26 1HG1 ILE 26 -2.230 -10.186 -10.186 191 1HG2 ILE 26 1HG2 ILE 26 0.720 -8.713 -8.713 192 2HG2 ILE 26 3HG2 ILE 26 0.423 -10.421 -10.421 193 3HG2 ILE 26 2HG2 ILE 26 -0.731 -9.430 -9.430 194 1HD1 ILE 26 1HD1 ILE 26 -2.525 -10.159 -10.159 195 2HD1 ILE 26 3HD1 ILE 26 -3.702 -10.864 -10.864 196 3HD1 ILE 26 2HD1 ILE 26 -3.418 -9.123 -9.123 197 H LYS 27 H LYS 27 -0.699 -10.532 -10.532 198 HA LYS 27 HA LYS 27 -2.115 -8.545 -8.545 199 1HB LYS 27 2HB LYS 27 -2.352 -11.138 -11.138 200 2HB LYS 27 1HB LYS 27 -0.917 -11.120 -11.120 201 1HG LYS 27 2HG LYS 27 -2.066 -9.495 -9.495 202 2HG LYS 27 1HG LYS 27 -3.534 -9.658 -9.658 203 1HD LYS 27 2HD LYS 27 -2.205 -11.529 -11.529 204 2HD LYS 27 1HD LYS 27 -3.896 -11.173 -11.173 205 1HE LYS 27 2HE LYS 27 -2.249 -13.092 -13.092 206 2HE LYS 27 1HE LYS 27 -3.499 -13.507 -13.507 207 1HZ LYS 27 2HZ LYS 27 -4.556 -11.680 -11.680 208 2HZ LYS 27 1HZ LYS 27 -3.747 -12.774 -12.774 209 3HZ LYS 27 3HZ LYS 27 -5.021 -13.296 -13.296 210 H ASN 28 H ASN 28 0.986 -10.022 -10.022 211 HA ASN 28 HA ASN 28 1.645 -8.276 -8.276 212 1HB ASN 28 2HB ASN 28 2.392 -10.689 -10.689 213 2HB ASN 28 1HB ASN 28 3.504 -10.145 -10.145 214 1HD2 ASN 28 2HD2 ASN 28 4.486 -9.570 -9.570 215 2HD2 ASN 28 1HD2 ASN 28 3.140 -10.510 -10.510 216 H GLN 29 H GLN 29 2.838 -8.586 -8.586 217 HA GLN 29 HA GLN 29 4.772 -6.494 -6.494 218 1HB GLN 29 2HB GLN 29 4.549 -8.381 -8.381 219 2HB GLN 29 1HB GLN 29 3.382 -7.355 -7.355 220 1HG GLN 29 2HG GLN 29 5.096 -5.702 -5.702 221 2HG GLN 29 1HG GLN 29 6.220 -6.403 -6.403 222 1HE2 GLN 29 2HE2 GLN 29 6.674 -7.687 -7.687 223 2HE2 GLN 29 1HE2 GLN 29 6.101 -6.139 -6.139 224 H LEU 30 H LEU 30 1.238 -6.466 -6.466 225 HA LEU 30 HA LEU 30 1.387 -3.661 -3.661 226 1HB LEU 30 2HB LEU 30 -0.480 -5.101 -5.101 227 2HB LEU 30 1HB LEU 30 -1.069 -5.223 -5.223 228 HG LEU 30 HG LEU 30 -1.267 -2.660 -2.660 229 1HD1 LEU 30 2HD1 LEU 30 0.466 -2.132 -2.132 230 2HD1 LEU 30 1HD1 LEU 30 -0.617 -2.820 -2.820 231 3HD1 LEU 30 3HD1 LEU 30 -1.064 -1.366 -1.366 232 1HD2 LEU 30 3HD2 LEU 30 -3.156 -4.076 -4.076 233 2HD2 LEU 30 2HD2 LEU 30 -3.231 -2.549 -2.549 234 3HD2 LEU 30 1HD2 LEU 30 -2.706 -4.008 -4.008 235 H ALA 31 H ALA 31 0.362 -5.455 -5.455 236 HA ALA 31 HA ALA 31 -0.606 -3.387 -3.387 237 1HB ALA 31 1HB ALA 31 1.415 -5.480 -5.480 238 2HB ALA 31 3HB ALA 31 0.364 -4.566 -4.566 239 3HB ALA 31 2HB ALA 31 -0.338 -5.701 -5.701 240 H GLN 32 H GLN 32 2.703 -4.180 -4.180 241 HA GLN 32 HA GLN 32 4.182 -2.334 -2.334 242 1HB GLN 32 2HB GLN 32 4.577 -3.598 -3.598 243 2HB GLN 32 1HB GLN 32 5.498 -2.137 -2.137 244 1HG GLN 32 2HG GLN 32 7.079 -3.365 -3.365 245 2HG GLN 32 1HG GLN 32 5.978 -3.623 -3.623 246 1HE2 GLN 32 2HE2 GLN 32 5.847 -7.061 -7.061 247 2HE2 GLN 32 1HE2 GLN 32 5.671 -5.795 -5.795 248 H LEU 33 H LEU 33 2.432 -1.855 -1.855 249 HA LEU 33 HA LEU 33 2.921 1.042 1.042 250 1HB LEU 33 2HB LEU 33 1.044 -0.740 -0.740 251 2HB LEU 33 1HB LEU 33 1.212 0.972 0.972 252 HG LEU 33 HG LEU 33 3.746 0.505 0.505 253 1HD1 LEU 33 2HD1 LEU 33 3.765 -1.821 -1.821 254 2HD1 LEU 33 1HD1 LEU 33 2.646 -2.290 -2.290 255 3HD1 LEU 33 3HD1 LEU 33 4.248 -1.843 -1.843 256 1HD2 LEU 33 1HD2 LEU 33 1.995 1.025 1.025 257 2HD2 LEU 33 3HD2 LEU 33 3.221 -0.069 -0.069 258 3HD2 LEU 33 2HD2 LEU 33 1.659 -0.684 -0.684 259 H ASN 34 H ASN 34 -0.049 -1.050 -1.050 260 HA ASN 34 HA ASN 34 -1.945 0.939 0.939 261 1HB ASN 34 2HB ASN 34 -2.383 -1.557 -1.557 262 2HB ASN 34 1HB ASN 34 -1.566 -1.342 -1.342 263 1HD2 ASN 34 2HD2 ASN 34 -4.548 -0.092 -0.092 264 2HD2 ASN 34 1HD2 ASN 34 -3.179 -1.080 -1.080 265 H GLY 35 H GLY 35 0.276 -0.241 -0.241 266 1HA GLY 35 2HA GLY 35 -0.311 1.432 1.432 267 2HA GLY 35 1HA GLY 35 1.337 0.871 0.871 268 H SER 36 H SER 36 1.711 1.979 1.979 269 HA SER 36 HA SER 36 2.206 4.715 4.715 270 1HB SER 36 2HB SER 36 2.892 3.025 3.025 271 2HB SER 36 1HB SER 36 3.361 4.716 4.716 272 HG SER 36 HG SER 36 4.515 2.635 2.635 273 H ALA 37 H ALA 37 -0.169 3.173 3.173 274 HA ALA 37 HA ALA 37 -1.011 5.257 5.257 275 1HB ALA 37 2HB ALA 37 -2.191 2.933 2.933 276 2HB ALA 37 1HB ALA 37 -2.845 3.483 3.483 277 3HB ALA 37 3HB ALA 37 -3.325 4.274 4.274 278 H ASN 38 H ASN 38 -1.257 4.655 4.655 279 HA ASN 38 HA ASN 38 -2.630 7.242 7.242 280 1HB ASN 38 2HB ASN 38 -2.963 4.815 4.815 281 2HB ASN 38 1HB ASN 38 -1.692 5.398 5.398 282 1HD2 ASN 38 2HD2 ASN 38 -3.977 8.281 8.281 283 2HD2 ASN 38 1HD2 ASN 38 -2.458 8.233 8.233 284 H ALA 39 H ALA 39 0.431 5.575 5.575 285 HA ALA 39 HA ALA 39 1.677 7.875 7.875 286 1HB ALA 39 1HB ALA 39 2.510 5.356 5.356 287 2HB ALA 39 3HB ALA 39 3.374 5.657 5.657 288 3HB ALA 39 2HB ALA 39 3.732 6.616 6.616 289 H LEU 40 H LEU 40 2.764 6.356 6.356 290 HA LEU 40 HA LEU 40 4.255 8.403 8.403 291 1HB LEU 40 2HB LEU 40 4.027 6.409 6.409 292 2HB LEU 40 1HB LEU 40 2.289 6.531 6.531 293 HG LEU 40 HG LEU 40 3.885 7.097 7.097 294 1HD1 LEU 40 2HD1 LEU 40 1.317 8.642 8.642 295 2HD1 LEU 40 1HD1 LEU 40 2.099 8.567 8.567 296 3HD1 LEU 40 3HD1 LEU 40 1.530 7.096 7.096 297 1HD2 LEU 40 2HD2 LEU 40 3.587 9.819 9.819 298 2HD2 LEU 40 1HD2 LEU 40 5.106 9.010 9.010 299 3HD2 LEU 40 3HD2 LEU 40 4.057 9.501 9.501 300 H PHE 41 H PHE 41 0.768 8.030 8.030 301 HA PHE 41 HA PHE 41 0.123 10.401 10.401 302 1HB PHE 41 2HB PHE 41 -1.633 8.900 8.900 303 2HB PHE 41 1HB PHE 41 -1.292 9.126 9.126 304 HD1 PHE 41 HD2 PHE 41 -1.305 12.124 12.124 305 HD2 PHE 41 HD1 PHE 41 -3.620 9.662 9.662 306 HE1 PHE 41 HE2 PHE 41 -3.005 13.807 13.807 307 HE2 PHE 41 HE1 PHE 41 -5.330 11.405 11.405 308 HZ PHE 41 HZ PHE 41 -4.961 13.517 13.517 309 H ILE 42 H ILE 42 0.281 10.149 10.149 310 HA ILE 42 HA ILE 42 0.134 12.972 12.972 311 HB ILE 42 HB ILE 42 0.941 10.648 10.648 312 1HG1 ILE 42 2HG1 ILE 42 -1.218 10.720 10.720 313 2HG1 ILE 42 1HG1 ILE 42 -1.289 12.467 12.467 314 1HG2 ILE 42 1HG2 ILE 42 0.795 13.584 13.584 315 2HG2 ILE 42 3HG2 ILE 42 0.973 12.228 12.228 316 3HG2 ILE 42 2HG2 ILE 42 2.252 12.603 12.603 317 1HD1 ILE 42 1HD1 ILE 42 -1.650 10.927 10.927 318 2HD1 ILE 42 3HD1 ILE 42 -2.985 11.262 11.262 319 3HD1 ILE 42 2HD1 ILE 42 -2.129 12.469 12.469 320 H SER 43 H SER 43 2.933 10.820 10.820 321 HA SER 43 HA SER 43 4.636 13.173 13.173 322 1HB SER 43 2HB SER 43 6.566 11.628 11.628 323 2HB SER 43 1HB SER 43 5.467 10.871 10.871 324 HG SER 43 HG SER 43 4.431 10.437 10.437 325 H TYR 44 H TYR 44 2.928 12.187 12.187 326 HA TYR 44 HA TYR 44 4.757 13.153 13.153 327 1HB TYR 44 2HB TYR 44 3.615 11.426 11.426 328 2HB TYR 44 1HB TYR 44 2.263 11.468 11.468 329 HD1 TYR 44 HD1 TYR 44 3.676 13.993 13.993 330 HD2 TYR 44 HD2 TYR 44 0.215 11.655 11.655 331 HE1 TYR 44 HE1 TYR 44 2.595 15.074 15.074 332 HE2 TYR 44 HE2 TYR 44 -0.859 12.644 12.644 333 HH TYR 44 HH TYR 44 0.211 15.664 15.664 334 H TYR 45 H TYR 45 1.452 13.578 13.578 335 HA TYR 45 HA TYR 45 1.189 16.157 16.157 336 1HB TYR 45 2HB TYR 45 -1.105 15.959 15.959 337 2HB TYR 45 1HB TYR 45 -0.658 14.314 14.314 338 HD1 TYR 45 HD2 TYR 45 -0.744 17.658 17.658 339 HD2 TYR 45 HD1 TYR 45 -1.100 13.481 13.481 340 HE1 TYR 45 HE2 TYR 45 -1.367 18.104 18.104 341 HE2 TYR 45 HE1 TYR 45 -1.695 14.054 14.054 342 HH TYR 45 HH TYR 45 -1.531 15.722 15.722 343 H THR 46 H THR 46 2.303 15.177 15.177 344 HA THR 46 HA THR 46 2.079 17.790 17.790 345 HB THR 46 HB THR 46 4.414 17.221 17.221 346 HG1 THR 46 HG1 THR 46 5.245 15.485 15.485 347 1HG2 THR 46 1HG2 THR 46 1.928 15.574 15.574 348 2HG2 THR 46 3HG2 THR 46 3.351 15.649 15.649 349 3HG2 THR 46 2HG2 THR 46 2.395 17.085 17.085 350 H ALA 47 H ALA 47 4.668 16.522 16.522 351 HA ALA 47 HA ALA 47 6.362 18.719 18.719 352 1HB ALA 47 1HB ALA 47 5.428 17.160 17.160 353 2HB ALA 47 3HB ALA 47 6.862 18.163 18.163 354 3HB ALA 47 2HB ALA 47 6.743 16.718 16.718 355 H GLN 48 H GLN 48 3.207 18.467 18.467 356 HA GLN 48 HA GLN 48 3.213 20.768 20.768 357 1HB GLN 48 2HB GLN 48 0.981 19.809 19.809 358 2HB GLN 48 1HB GLN 48 0.706 20.967 20.967 359 1HG GLN 48 2HG GLN 48 0.914 18.023 18.023 360 2HG GLN 48 1HG GLN 48 0.203 19.148 19.148 361 1HE2 GLN 48 2HE2 GLN 48 3.816 17.695 17.695 362 2HE2 GLN 48 1HE2 GLN 48 2.923 17.140 17.140 363 H GLY 49 H GLY 49 2.735 20.659 20.659 364 1HA GLY 49 2HA GLY 49 2.778 22.431 22.431 365 2HA GLY 49 1HA GLY 49 3.841 23.239 23.239 366 H GLU 50 H GLU 50 0.534 22.318 22.318 367 HA GLU 50 HA GLU 50 -1.447 23.359 23.359 368 1HB GLU 50 2HB GLU 50 0.090 25.844 25.844 369 2HB GLU 50 1HB GLU 50 -1.628 25.891 25.891 370 1HG GLU 50 2HG GLU 50 -1.875 23.997 23.997 371 2HG GLU 50 1HG GLU 50 -0.151 24.152 24.152 372 HA PRO 51 HA PRO 51 -3.321 24.873 24.873 373 1HB PRO 51 2HB PRO 51 -5.521 24.945 24.945 374 2HB PRO 51 1HB PRO 51 -4.548 26.403 26.403 375 1HG PRO 51 2HG PRO 51 -4.344 24.387 24.387 376 2HG PRO 51 1HG PRO 51 -4.597 26.133 26.133 377 1HD PRO 51 2HD PRO 51 -2.098 25.094 25.094 378 2HD PRO 51 1HD PRO 51 -2.329 26.607 26.607 379 H PHE 52 H PHE 52 -2.937 22.851 22.851 380 HA PHE 52 HA PHE 52 -4.402 20.603 20.603 381 1HB PHE 52 2HB PHE 52 -1.484 20.908 20.908 382 2HB PHE 52 1HB PHE 52 -1.886 19.454 19.454 383 HD1 PHE 52 HD2 PHE 52 -4.430 20.326 20.326 384 HD2 PHE 52 HD1 PHE 52 -0.703 18.376 18.376 385 HE1 PHE 52 HE2 PHE 52 -4.726 19.070 19.070 386 HE2 PHE 52 HE1 PHE 52 -1.036 17.123 17.123 387 HZ PHE 52 HZ PHE 52 -3.009 17.483 17.483 388 HA PRO 53 HA PRO 53 -3.047 18.665 18.665 389 1HB PRO 53 2HB PRO 53 -2.211 20.507 20.507 390 2HB PRO 53 1HB PRO 53 -1.137 19.463 19.463 391 1HG PRO 53 2HG PRO 53 -2.009 22.346 22.346 392 2HG PRO 53 1HG PRO 53 -0.370 21.698 21.698 393 1HD PRO 53 2HD PRO 53 -1.594 21.894 21.894 394 2HD PRO 53 1HD PRO 53 -0.805 20.340 20.340 395 H ASN 54 H ASN 54 -4.794 21.242 21.242 396 HA ASN 54 HA ASN 54 -6.777 20.815 20.815 397 1HB ASN 54 2HB ASN 54 -6.746 23.379 23.379 398 2HB ASN 54 1HB ASN 54 -7.339 23.133 23.133 399 1HD2 ASN 54 2HD2 ASN 54 -4.216 23.984 23.984 400 2HD2 ASN 54 1HD2 ASN 54 -5.856 23.611 23.611 401 H ASN 55 H ASN 55 -6.252 21.188 21.188 402 HA ASN 55 HA ASN 55 -9.085 20.492 20.492 403 1HB ASN 55 2HB ASN 55 -6.981 21.838 21.838 404 2HB ASN 55 1HB ASN 55 -8.645 21.536 21.536 405 1HD2 ASN 55 2HD2 ASN 55 -7.853 24.966 24.966 406 2HD2 ASN 55 1HD2 ASN 55 -6.593 23.946 23.946 407 H LEU 56 H LEU 56 -6.496 18.925 18.925 408 HA LEU 56 HA LEU 56 -6.025 17.491 17.491 409 1HB LEU 56 2HB LEU 56 -4.753 15.919 15.919 410 2HB LEU 56 1HB LEU 56 -4.593 17.388 17.388 411 HG LEU 56 HG LEU 56 -6.514 16.542 16.542 412 1HD1 LEU 56 3HD1 LEU 56 -7.279 14.598 14.598 413 2HD1 LEU 56 2HD1 LEU 56 -5.747 13.863 13.863 414 3HD1 LEU 56 1HD1 LEU 56 -6.896 14.136 14.136 415 1HD2 LEU 56 2HD2 LEU 56 -4.062 16.396 16.396 416 2HD2 LEU 56 1HD2 LEU 56 -4.903 14.993 14.993 417 3HD2 LEU 56 3HD2 LEU 56 -3.983 14.859 14.859 418 H ASP 57 H ASP 57 -8.246 17.294 17.294 419 HA ASP 57 HA ASP 57 -9.557 14.953 14.953 420 1HB ASP 57 2HB ASP 57 -10.824 17.507 17.507 421 2HB ASP 57 1HB ASP 57 -11.439 15.879 15.879 422 H LYS 58 H LYS 58 -9.905 18.106 18.106 423 HA LYS 58 HA LYS 58 -12.102 16.805 16.805 424 1HB LYS 58 2HB LYS 58 -11.517 19.751 19.751 425 2HB LYS 58 1HB LYS 58 -12.750 19.137 19.137 426 1HG LYS 58 2HG LYS 58 -13.521 17.689 17.689 427 2HG LYS 58 1HG LYS 58 -12.542 18.790 18.790 428 1HD LYS 58 2HD LYS 58 -13.838 20.683 20.683 429 2HD LYS 58 1HD LYS 58 -14.642 19.963 19.963 430 1HE LYS 58 2HE LYS 58 -14.962 19.123 19.123 431 2HE LYS 58 1HE LYS 58 -16.156 19.984 19.984 432 1HZ LYS 58 3HZ LYS 58 -15.386 17.686 17.686 433 2HZ LYS 58 2HZ LYS 58 -15.730 17.203 17.203 434 3HZ LYS 58 1HZ LYS 58 -16.889 18.053 18.053 435 H LEU 59 H LEU 59 -9.004 17.430 17.430 436 HA LEU 59 HA LEU 59 -8.979 17.703 17.703 437 1HB LEU 59 2HB LEU 59 -6.890 18.432 18.432 438 2HB LEU 59 1HB LEU 59 -6.626 18.452 18.452 439 HG LEU 59 HG LEU 59 -7.785 20.440 20.440 440 1HD1 LEU 59 2HD1 LEU 59 -9.349 20.146 20.146 441 2HD1 LEU 59 1HD1 LEU 59 -9.502 21.452 21.452 442 3HD1 LEU 59 3HD1 LEU 59 -10.046 19.855 19.855 443 1HD2 LEU 59 1HD2 LEU 59 -6.999 20.500 20.500 444 2HD2 LEU 59 3HD2 LEU 59 -5.947 20.869 20.869 445 3HD2 LEU 59 2HD2 LEU 59 -7.277 21.938 21.938 446 H CYS 60 H CYS 60 -8.254 15.823 15.823 447 HA CYS 60 HA CYS 60 -6.957 13.646 13.646 448 1HB CYS 60 2HB CYS 60 -6.084 14.436 14.436 449 2HB CYS 60 1HB CYS 60 -5.243 13.459 13.459 450 H GLY 61 H GLY 61 -9.763 13.340 13.340 451 1HA GLY 61 2HA GLY 61 -9.482 11.379 11.379 452 2HA GLY 61 1HA GLY 61 -10.732 12.582 12.582 453 HA PRO 62 HA PRO 62 -13.048 9.879 9.879 454 1HB PRO 62 2HB PRO 62 -14.906 11.527 11.527 455 2HB PRO 62 1HB PRO 62 -14.781 11.327 11.327 456 1HG PRO 62 2HG PRO 62 -13.737 13.607 13.607 457 2HG PRO 62 1HG PRO 62 -14.496 13.703 13.703 458 1HD PRO 62 2HD PRO 62 -11.681 13.666 13.666 459 2HD PRO 62 1HD PRO 62 -12.447 13.403 13.403 460 H ASN 63 H ASN 63 -13.955 9.954 9.954 461 HA ASN 63 HA ASN 63 -11.621 10.411 10.411 462 1HB ASN 63 2HB ASN 63 -12.789 8.828 8.828 463 2HB ASN 63 1HB ASN 63 -12.578 8.130 8.130 464 1HD2 ASN 63 2HD2 ASN 63 -16.240 8.323 8.323 465 2HD2 ASN 63 1HD2 ASN 63 -14.856 8.329 8.329 466 H VAL 64 H VAL 64 -11.816 11.368 11.368 467 HA VAL 64 HA VAL 64 -14.250 12.827 12.827 468 HB VAL 64 HB VAL 64 -11.459 14.177 14.177 469 1HG1 VAL 64 2HG1 VAL 64 -14.088 15.281 15.281 470 2HG1 VAL 64 1HG1 VAL 64 -12.601 16.182 16.182 471 3HG1 VAL 64 3HG1 VAL 64 -12.684 14.883 14.883 472 1HG2 VAL 64 3HG2 VAL 64 -12.761 14.049 14.049 473 2HG2 VAL 64 2HG2 VAL 64 -12.570 15.691 15.691 474 3HG2 VAL 64 1HG2 VAL 64 -14.103 14.850 14.850 475 H THR 65 H THR 65 -10.867 12.195 12.195 476 HA THR 65 HA THR 65 -10.731 12.168 12.168 477 HB THR 65 HB THR 65 -8.710 12.350 12.350 478 HG1 THR 65 HG1 THR 65 -7.909 11.254 11.254 479 1HG2 THR 65 1HG2 THR 65 -9.294 9.482 9.482 480 2HG2 THR 65 3HG2 THR 65 -7.896 10.420 10.420 481 3HG2 THR 65 2HG2 THR 65 -9.481 10.869 10.869 482 H ASP 66 H ASP 66 -9.463 9.364 9.364 483 HA ASP 66 HA ASP 66 -11.998 7.933 7.933 484 1HB ASP 66 2HB ASP 66 -10.132 8.602 8.602 485 2HB ASP 66 1HB ASP 66 -9.303 7.189 7.189 486 H PHE 67 H PHE 67 -11.220 7.827 7.827 487 HA PHE 67 HA PHE 67 -9.589 5.430 5.430 488 1HB PHE 67 2HB PHE 67 -10.343 7.442 7.442 489 2HB PHE 67 1HB PHE 67 -11.382 6.114 6.114 490 HD1 PHE 67 HD1 PHE 67 -9.980 3.674 3.674 491 HD2 PHE 67 HD2 PHE 67 -8.406 7.571 7.571 492 HE1 PHE 67 HE1 PHE 67 -8.052 2.766 2.766 493 HE2 PHE 67 HE2 PHE 67 -6.455 6.629 6.629 494 HZ PHE 67 HZ PHE 67 -6.278 4.199 4.199 495 HA PRO 68 HA PRO 68 -13.388 3.038 3.038 496 1HB PRO 68 2HB PRO 68 -12.265 0.506 0.506 497 2HB PRO 68 1HB PRO 68 -12.157 1.516 1.516 498 1HG PRO 68 2HG PRO 68 -10.128 1.326 1.326 499 2HG PRO 68 1HG PRO 68 -9.811 1.153 1.153 500 1HD PRO 68 2HD PRO 68 -9.369 3.519 3.519 501 2HD PRO 68 1HD PRO 68 -10.195 3.505 3.505 502 HA PRO 69 HA PRO 69 -14.237 2.329 2.329 503 1HB PRO 69 2HB PRO 69 -16.750 1.338 1.338 504 2HB PRO 69 1HB PRO 69 -16.428 2.993 2.993 505 1HG PRO 69 2HG PRO 69 -16.524 0.437 0.437 506 2HG PRO 69 1HG PRO 69 -17.450 1.924 1.924 507 1HD PRO 69 2HD PRO 69 -15.080 1.505 1.505 508 2HD PRO 69 1HD PRO 69 -15.496 3.144 3.144 509 H PHE 70 H PHE 70 -12.395 0.691 0.691 510 HA PHE 70 HA PHE 70 -12.495 -2.006 -2.006 511 1HB PHE 70 2HB PHE 70 -10.493 -0.841 -0.841 512 2HB PHE 70 1HB PHE 70 -11.272 -1.091 -1.091 513 HD1 PHE 70 HD2 PHE 70 -11.730 -3.502 -3.502 514 HD2 PHE 70 HD1 PHE 70 -9.552 -2.642 -2.642 515 HE1 PHE 70 HE2 PHE 70 -10.873 -5.803 -5.803 516 HE2 PHE 70 HE1 PHE 70 -8.704 -4.930 -4.930 517 HZ PHE 70 HZ PHE 70 -9.349 -6.512 -6.512 518 H HIS 71 H HIS 71 -14.421 -2.907 -2.907 519 HA HIS 71 HA HIS 71 -15.298 -3.677 -3.677 520 1HB HIS 71 2HB HIS 71 -16.814 -1.884 -1.884 521 2HB HIS 71 1HB HIS 71 -17.033 -2.792 -2.792 522 HD1 HIS 71 HD1 HIS 71 -19.598 -2.673 -2.673 523 HD2 HIS 71 HD2 HIS 71 -17.237 -5.129 -5.129 524 HE1 HIS 71 HE1 HIS 71 -21.129 -4.150 -4.150 525 H ALA 72 H ALA 72 -14.222 -5.612 -5.612 526 HA ALA 72 HA ALA 72 -13.798 -7.277 -7.277 527 1HB ALA 72 2HB ALA 72 -13.431 -7.930 -7.930 528 2HB ALA 72 1HB ALA 72 -15.179 -8.141 -8.141 529 3HB ALA 72 3HB ALA 72 -14.307 -9.212 -9.212 530 H ASN 73 H ASN 73 -15.059 -7.092 -7.092 531 HA ASN 73 HA ASN 73 -17.797 -8.303 -8.303 532 1HB ASN 73 2HB ASN 73 -16.539 -6.144 -6.144 533 2HB ASN 73 1HB ASN 73 -17.524 -7.223 -7.223 534 1HD2 ASN 73 2HD2 ASN 73 -19.390 -4.925 -4.925 535 2HD2 ASN 73 1HD2 ASN 73 -17.696 -5.045 -5.045 536 H GLY 74 H GLY 74 -15.246 -9.751 -9.751 537 1HA GLY 74 2HA GLY 74 -16.137 -11.601 -11.601 538 2HA GLY 74 1HA GLY 74 -14.534 -10.960 -10.960 539 H THR 75 H THR 75 -13.194 -11.219 -11.219 540 HA THR 75 HA THR 75 -12.798 -12.635 -12.635 541 HB THR 75 HB THR 75 -14.097 -14.716 -14.716 542 HG1 THR 75 HG1 THR 75 -12.684 -15.696 -15.696 543 1HG2 THR 75 2HG2 THR 75 -13.247 -14.339 -14.339 544 2HG2 THR 75 1HG2 THR 75 -11.648 -14.812 -14.812 545 3HG2 THR 75 3HG2 THR 75 -12.956 -15.965 -15.965 546 H GLU 76 H GLU 76 -10.660 -14.317 -14.317 547 HA GLU 76 HA GLU 76 -8.476 -12.693 -12.693 548 1HB GLU 76 2HB GLU 76 -9.105 -15.217 -15.217 549 2HB GLU 76 1HB GLU 76 -7.578 -14.383 -14.383 550 1HG GLU 76 2HG GLU 76 -8.489 -15.093 -15.093 551 2HG GLU 76 1HG GLU 76 -7.732 -16.305 -16.305 552 H LYS 77 H LYS 77 -10.284 -13.738 -13.738 553 HA LYS 77 HA LYS 77 -9.131 -11.960 -11.960 554 1HB LYS 77 2HB LYS 77 -11.145 -12.262 -12.262 555 2HB LYS 77 1HB LYS 77 -11.024 -13.724 -13.724 556 1HG LYS 77 2HG LYS 77 -12.760 -12.702 -12.702 557 2HG LYS 77 1HG LYS 77 -12.994 -11.441 -11.441 558 1HD LYS 77 2HD LYS 77 -13.496 -13.276 -13.276 559 2HD LYS 77 1HD LYS 77 -13.374 -14.434 -14.434 560 1HE LYS 77 2HE LYS 77 -15.718 -14.087 -14.087 561 2HE LYS 77 1HE LYS 77 -15.328 -13.315 -13.315 562 1HZ LYS 77 3HZ LYS 77 -15.027 -11.403 -11.403 563 2HZ LYS 77 2HZ LYS 77 -16.524 -12.163 -12.163 564 3HZ LYS 77 1HZ LYS 77 -16.150 -11.403 -11.403 565 H ALA 78 H ALA 78 -11.773 -11.089 -11.089 566 HA ALA 78 HA ALA 78 -11.565 -8.334 -8.334 567 1HB ALA 78 3HB ALA 78 -13.334 -9.312 -9.312 568 2HB ALA 78 2HB ALA 78 -13.373 -7.745 -7.745 569 3HB ALA 78 1HB ALA 78 -13.796 -9.141 -9.141 570 H LYS 79 H LYS 79 -10.665 -9.980 -9.980 571 HA LYS 79 HA LYS 79 -10.138 -7.771 -7.771 572 1HB LYS 79 2HB LYS 79 -8.734 -10.500 -10.500 573 2HB LYS 79 1HB LYS 79 -8.680 -9.382 -9.382 574 1HG LYS 79 2HG LYS 79 -11.276 -10.541 -10.541 575 2HG LYS 79 1HG LYS 79 -10.359 -11.398 -11.398 576 1HD LYS 79 2HD LYS 79 -10.682 -8.671 -8.671 577 2HD LYS 79 1HD LYS 79 -12.125 -9.070 -9.070 578 1HE LYS 79 2HE LYS 79 -12.315 -9.644 -9.644 579 2HE LYS 79 1HE LYS 79 -12.644 -10.993 -10.993 580 1HZ LYS 79 3HZ LYS 79 -9.859 -10.905 -10.905 581 2HZ LYS 79 2HZ LYS 79 -10.680 -10.868 -10.868 582 3HZ LYS 79 1HZ LYS 79 -10.984 -12.122 -12.122 583 H LEU 80 H LEU 80 -8.195 -9.678 -9.678 584 HA LEU 80 HA LEU 80 -5.826 -8.037 -8.037 585 1HB LEU 80 2HB LEU 80 -6.407 -10.019 -10.019 586 2HB LEU 80 1HB LEU 80 -4.861 -9.546 -9.546 587 HG LEU 80 HG LEU 80 -6.884 -11.073 -11.073 588 1HD1 LEU 80 3HD1 LEU 80 -4.405 -12.054 -12.054 589 2HD1 LEU 80 2HD1 LEU 80 -5.371 -12.971 -12.971 590 3HD1 LEU 80 1HD1 LEU 80 -6.069 -12.473 -12.473 591 1HD2 LEU 80 3HD2 LEU 80 -4.012 -10.381 -10.381 592 2HD2 LEU 80 2HD2 LEU 80 -5.398 -9.671 -9.671 593 3HD2 LEU 80 1HD2 LEU 80 -5.053 -11.376 -11.376 594 H VAL 81 H VAL 81 -8.218 -8.476 -8.476 595 HA VAL 81 HA VAL 81 -7.037 -6.490 -6.490 596 HB VAL 81 HB VAL 81 -9.908 -7.488 -7.488 597 1HG1 VAL 81 2HG1 VAL 81 -8.736 -5.696 -5.696 598 2HG1 VAL 81 1HG1 VAL 81 -10.330 -6.430 -6.430 599 3HG1 VAL 81 3HG1 VAL 81 -9.957 -5.198 -5.198 600 1HG2 VAL 81 1HG2 VAL 81 -8.134 -9.102 -9.102 601 2HG2 VAL 81 3HG2 VAL 81 -9.243 -8.686 -8.686 602 3HG2 VAL 81 2HG2 VAL 81 -7.646 -7.958 -7.958 603 H GLU 82 H GLU 82 -9.694 -5.968 -5.968 604 HA GLU 82 HA GLU 82 -9.843 -3.199 -3.199 605 1HB GLU 82 2HB GLU 82 -10.568 -4.672 -4.672 606 2HB GLU 82 1HB GLU 82 -11.067 -3.029 -3.029 607 1HG GLU 82 2HG GLU 82 -12.607 -3.813 -3.813 608 2HG GLU 82 1HG GLU 82 -11.986 -5.452 -5.452 609 H LEU 83 H LEU 83 -7.855 -5.048 -5.048 610 HA LEU 83 HA LEU 83 -6.595 -2.795 -2.795 611 1HB LEU 83 2HB LEU 83 -6.216 -5.006 -5.006 612 2HB LEU 83 1HB LEU 83 -5.728 -5.679 -5.679 613 HG LEU 83 HG LEU 83 -3.715 -3.925 -3.925 614 1HD1 LEU 83 2HD1 LEU 83 -4.558 -4.220 -4.220 615 2HD1 LEU 83 1HD1 LEU 83 -3.060 -3.497 -3.497 616 3HD1 LEU 83 3HD1 LEU 83 -4.593 -2.718 -2.718 617 1HD2 LEU 83 2HD2 LEU 83 -3.464 -6.351 -6.351 618 2HD2 LEU 83 1HD2 LEU 83 -2.361 -5.622 -5.622 619 3HD2 LEU 83 3HD2 LEU 83 -3.786 -6.465 -6.465 620 H TYR 84 H TYR 84 -5.289 -4.904 -4.904 621 HA TYR 84 HA TYR 84 -3.193 -3.754 -3.754 622 1HB TYR 84 2HB TYR 84 -4.319 -5.874 -5.874 623 2HB TYR 84 1HB TYR 84 -5.465 -5.009 -5.009 624 HD1 TYR 84 HD1 TYR 84 -4.400 -3.344 -3.344 625 HD2 TYR 84 HD2 TYR 84 -2.326 -6.433 -6.433 626 HE1 TYR 84 HE1 TYR 84 -2.780 -3.271 -3.271 627 HE2 TYR 84 HE2 TYR 84 -0.692 -6.424 -6.424 628 HH TYR 84 HH TYR 84 -0.749 -4.347 -4.347 629 H ARG 85 H ARG 85 -6.084 -3.365 -3.365 630 HA ARG 85 HA ARG 85 -5.577 -1.223 -1.223 631 1HB ARG 85 2HB ARG 85 -7.799 -2.726 -2.726 632 2HB ARG 85 1HB ARG 85 -8.304 -1.247 -1.247 633 1HG ARG 85 2HG ARG 85 -8.147 -0.019 -0.019 634 2HG ARG 85 1HG ARG 85 -7.411 -1.394 -1.394 635 1HD ARG 85 2HD ARG 85 -9.544 -2.737 -2.737 636 2HD ARG 85 1HD ARG 85 -10.281 -1.211 -1.211 637 HE ARG 85 HE ARG 85 -9.275 -2.056 -2.056 638 1HH1 ARG 85 2HH1 ARG 85 -11.332 -0.065 -0.065 639 2HH1 ARG 85 1HH1 ARG 85 -12.219 0.583 0.583 640 1HH2 ARG 85 1HH2 ARG 85 -10.305 -1.328 -1.328 641 2HH2 ARG 85 2HH2 ARG 85 -11.586 -0.182 -0.182 642 H MET 86 H MET 86 -6.916 -0.981 -0.981 643 HA MET 86 HA MET 86 -6.964 1.804 1.804 644 1HB MET 86 2HB MET 86 -8.203 0.295 0.295 645 2HB MET 86 1HB MET 86 -6.736 -0.385 -0.385 646 1HG MET 86 2HG MET 86 -6.423 2.245 2.245 647 2HG MET 86 1HG MET 86 -8.147 2.019 2.019 648 1HE MET 86 2HE MET 86 -5.201 2.247 2.247 649 2HE MET 86 1HE MET 86 -5.409 1.425 1.425 650 3HE MET 86 3HE MET 86 -4.699 0.555 0.555 651 H VAL 87 H VAL 87 -4.341 -0.384 -0.384 652 HA VAL 87 HA VAL 87 -2.562 1.486 1.486 653 HB VAL 87 HB VAL 87 -2.393 -1.316 -1.316 654 1HG1 VAL 87 1HG1 VAL 87 -0.340 0.285 0.285 655 2HG1 VAL 87 3HG1 VAL 87 -0.189 -1.435 -1.435 656 3HG1 VAL 87 2HG1 VAL 87 -0.087 -0.246 -0.246 657 1HG2 VAL 87 2HG2 VAL 87 -3.823 -1.093 -1.093 658 2HG2 VAL 87 1HG2 VAL 87 -2.372 -1.967 -1.967 659 3HG2 VAL 87 3HG2 VAL 87 -2.565 -0.293 -0.293 660 H ALA 88 H ALA 88 -3.058 0.034 0.034 661 HA ALA 88 HA ALA 88 -0.552 0.830 0.830 662 1HB ALA 88 1HB ALA 88 -3.296 0.301 0.301 663 2HB ALA 88 3HB ALA 88 -1.759 0.310 0.310 664 3HB ALA 88 2HB ALA 88 -2.076 -0.885 -0.885 665 H TYR 89 H TYR 89 -3.785 2.334 2.334 666 HA TYR 89 HA TYR 89 -2.750 4.782 4.782 667 1HB TYR 89 2HB TYR 89 -4.960 5.561 5.561 668 2HB TYR 89 1HB TYR 89 -5.324 3.868 3.868 669 HD1 TYR 89 HD1 TYR 89 -4.904 7.105 7.105 670 HD2 TYR 89 HD2 TYR 89 -6.215 3.066 3.066 671 HE1 TYR 89 HE1 TYR 89 -5.907 7.552 7.552 672 HE2 TYR 89 HE2 TYR 89 -7.242 3.564 3.564 673 HH TYR 89 HH TYR 89 -7.102 5.130 5.130 674 H LEU 90 H LEU 90 -3.631 3.879 3.879 675 HA LEU 90 HA LEU 90 -2.944 6.353 6.353 676 1HB LEU 90 2HB LEU 90 -4.052 4.652 4.652 677 2HB LEU 90 1HB LEU 90 -2.709 3.551 3.551 678 HG LEU 90 HG LEU 90 -1.221 5.212 5.212 679 1HD1 LEU 90 3HD1 LEU 90 -3.880 6.596 6.596 680 2HD1 LEU 90 2HD1 LEU 90 -2.362 6.999 6.999 681 3HD1 LEU 90 1HD1 LEU 90 -2.549 7.257 7.257 682 1HD2 LEU 90 2HD2 LEU 90 -2.293 3.349 3.349 683 2HD2 LEU 90 1HD2 LEU 90 -2.132 4.778 4.778 684 3HD2 LEU 90 3HD2 LEU 90 -3.692 4.374 4.374 685 H SER 91 H SER 91 -0.961 3.466 3.466 686 HA SER 91 HA SER 91 1.452 4.419 4.419 687 1HB SER 91 2HB SER 91 1.098 2.060 2.060 688 2HB SER 91 1HB SER 91 1.403 2.757 2.757 689 HG SER 91 HG SER 91 3.190 2.071 2.071 690 H ALA 92 H ALA 92 0.460 4.748 4.748 691 HA ALA 92 HA ALA 92 2.650 6.339 6.339 692 1HB ALA 92 1HB ALA 92 -0.280 6.464 6.464 693 2HB ALA 92 3HB ALA 92 1.076 7.151 7.151 694 3HB ALA 92 2HB ALA 92 0.953 5.412 5.412 695 H SER 93 H SER 93 -0.529 7.388 7.388 696 HA SER 93 HA SER 93 -0.172 10.154 10.154 697 1HB SER 93 2HB SER 93 -1.732 8.430 8.430 698 2HB SER 93 1HB SER 93 -1.999 10.146 10.146 699 HG SER 93 HG SER 93 -2.496 7.897 7.897 700 H LEU 94 H LEU 94 0.753 7.756 7.756 701 HA LEU 94 HA LEU 94 1.731 9.441 9.441 702 1HB LEU 94 2HB LEU 94 1.660 6.570 6.570 703 2HB LEU 94 1HB LEU 94 3.225 6.958 6.958 704 HG LEU 94 HG LEU 94 2.217 7.749 7.749 705 1HD1 LEU 94 3HD1 LEU 94 -0.417 7.047 7.047 706 2HD1 LEU 94 2HD1 LEU 94 -0.276 7.511 7.511 707 3HD1 LEU 94 1HD1 LEU 94 0.046 8.682 8.682 708 1HD2 LEU 94 3HD2 LEU 94 1.027 5.046 5.046 709 2HD2 LEU 94 2HD2 LEU 94 2.623 5.297 5.297 710 3HD2 LEU 94 1HD2 LEU 94 1.194 5.612 5.612 711 H THR 95 H THR 95 3.483 7.586 7.586 712 HA THR 95 HA THR 95 6.020 8.627 8.627 713 HB THR 95 HB THR 95 4.456 7.886 7.886 714 HG1 THR 95 HG1 THR 95 6.549 6.423 6.423 715 1HG2 THR 95 3HG2 THR 95 7.518 8.291 8.291 716 2HG2 THR 95 2HG2 THR 95 6.767 7.790 7.790 717 3HG2 THR 95 1HG2 THR 95 6.560 9.422 9.422 718 H ASN 96 H ASN 96 3.380 10.082 10.082 719 HA ASN 96 HA ASN 96 4.618 12.338 12.338 720 1HB ASN 96 2HB ASN 96 2.133 11.425 11.425 721 2HB ASN 96 1HB ASN 96 1.896 12.477 12.477 722 1HD2 ASN 96 2HD2 ASN 96 1.371 14.027 14.027 723 2HD2 ASN 96 1HD2 ASN 96 1.133 12.423 12.423 724 H ILE 97 H ILE 97 3.508 11.922 11.922 725 HA ILE 97 HA ILE 97 4.260 14.703 14.703 726 HB ILE 97 HB ILE 97 3.463 14.325 14.325 727 1HG1 ILE 97 2HG1 ILE 97 2.640 11.739 11.739 728 2HG1 ILE 97 1HG1 ILE 97 4.104 11.464 11.464 729 1HG2 ILE 97 1HG2 ILE 97 1.883 14.452 14.452 730 2HG2 ILE 97 3HG2 ILE 97 1.761 12.704 12.704 731 3HG2 ILE 97 2HG2 ILE 97 1.258 13.472 13.472 732 1HD1 ILE 97 3HD1 ILE 97 3.931 13.237 13.237 733 2HD1 ILE 97 2HD1 ILE 97 4.560 11.616 11.616 734 3HD1 ILE 97 1HD1 ILE 97 5.406 12.867 12.867 735 H THR 98 H THR 98 5.628 11.494 11.494 736 HA THR 98 HA THR 98 7.665 11.773 11.773 737 HB THR 98 HB THR 98 8.038 10.598 10.598 738 HG1 THR 98 HG1 THR 98 7.339 9.378 9.378 739 1HG2 THR 98 2HG2 THR 98 10.187 10.852 10.852 740 2HG2 THR 98 1HG2 THR 98 9.503 9.849 9.849 741 3HG2 THR 98 3HG2 THR 98 9.760 9.191 9.191 742 H ARG 99 H ARG 99 7.696 12.675 12.675 743 HA ARG 99 HA ARG 99 10.147 14.216 14.216 744 1HB ARG 99 2HB ARG 99 9.278 15.083 15.083 745 2HB ARG 99 1HB ARG 99 9.616 13.373 13.373 746 1HG ARG 99 2HG ARG 99 7.101 13.015 13.015 747 2HG ARG 99 1HG ARG 99 6.933 14.738 14.738 748 1HD ARG 99 2HD ARG 99 8.160 13.092 13.092 749 2HD ARG 99 1HD ARG 99 6.442 12.959 12.959 750 HE ARG 99 HE ARG 99 7.786 15.173 15.173 751 1HH1 ARG 99 2HH1 ARG 99 5.260 14.429 14.429 752 2HH1 ARG 99 1HH1 ARG 99 4.267 15.725 15.725 753 1HH2 ARG 99 1HH2 ARG 99 6.581 17.038 17.038 754 2HH2 ARG 99 2HH2 ARG 99 5.102 17.326 17.326 755 H ASP 100 H ASP 100 6.760 15.311 15.311 756 HA ASP 100 HA ASP 100 6.976 18.052 18.052 757 1HB ASP 100 2HB ASP 100 4.886 16.425 16.425 758 2HB ASP 100 1HB ASP 100 4.952 16.613 16.613 759 H GLN 101 H GLN 101 6.752 15.995 15.995 760 HA GLN 101 HA GLN 101 7.160 17.919 17.919 761 1HB GLN 101 2HB GLN 101 7.575 14.870 14.870 762 2HB GLN 101 1HB GLN 101 7.363 15.872 15.872 763 1HG GLN 101 2HG GLN 101 5.223 15.502 15.502 764 2HG GLN 101 1HG GLN 101 5.257 14.872 14.872 765 1HE2 GLN 101 2HE2 GLN 101 3.789 18.472 18.472 766 2HE2 GLN 101 1HE2 GLN 101 3.889 17.318 17.318 767 H LYS 102 H LYS 102 9.256 15.482 15.482 768 HA LYS 102 HA LYS 102 11.589 16.017 16.017 769 1HB LYS 102 2HB LYS 102 11.236 14.130 14.130 770 2HB LYS 102 1HB LYS 102 11.325 15.310 15.310 771 1HG LYS 102 2HG LYS 102 13.625 14.691 14.691 772 2HG LYS 102 1HG LYS 102 13.427 13.910 13.910 773 1HD LYS 102 2HD LYS 102 13.178 16.598 16.598 774 2HD LYS 102 1HD LYS 102 14.290 16.670 16.670 775 1HE LYS 102 2HE LYS 102 15.888 15.255 15.255 776 2HE LYS 102 1HE LYS 102 14.773 14.911 14.911 777 1HZ LYS 102 1HZ LYS 102 14.932 17.695 17.695 778 2HZ LYS 102 3HZ LYS 102 16.515 17.092 17.092 779 3HZ LYS 102 2HZ LYS 102 15.387 16.790 16.790 780 H VAL 103 H VAL 103 10.079 17.740 17.740 781 HA VAL 103 HA VAL 103 12.313 19.664 19.664 782 HB VAL 103 HB VAL 103 9.732 19.307 19.307 783 1HG1 VAL 103 3HG1 VAL 103 12.105 21.129 21.129 784 2HG1 VAL 103 2HG1 VAL 103 10.744 20.856 20.856 785 3HG1 VAL 103 1HG1 VAL 103 10.500 21.663 21.663 786 1HG2 VAL 103 1HG2 VAL 103 11.396 17.459 17.459 787 2HG2 VAL 103 3HG2 VAL 103 11.241 18.385 18.385 788 3HG2 VAL 103 2HG2 VAL 103 12.634 18.626 18.626 789 H LEU 104 H LEU 104 9.149 19.572 19.572 790 HA LEU 104 HA LEU 104 9.125 22.537 22.537 791 1HB LEU 104 2HB LEU 104 7.182 20.413 20.413 792 2HB LEU 104 1HB LEU 104 6.963 22.107 22.107 793 HG LEU 104 HG LEU 104 7.266 21.105 21.105 794 1HD1 LEU 104 3HD1 LEU 104 4.714 21.451 21.451 795 2HD1 LEU 104 2HD1 LEU 104 4.780 21.144 21.144 796 3HD1 LEU 104 1HD1 LEU 104 5.356 19.931 19.931 797 1HD2 LEU 104 2HD2 LEU 104 5.962 23.598 23.598 798 2HD2 LEU 104 1HD2 LEU 104 7.522 23.570 23.570 799 3HD2 LEU 104 3HD2 LEU 104 6.065 23.232 23.232 800 H ASN 105 H ASN 105 9.640 19.782 19.782 801 HA ASN 105 HA ASN 105 10.298 21.731 21.731 802 1HB ASN 105 2HB ASN 105 8.585 19.344 19.344 803 2HB ASN 105 1HB ASN 105 9.274 19.885 19.885 804 1HD2 ASN 105 2HD2 ASN 105 6.907 22.496 22.496 805 2HD2 ASN 105 1HD2 ASN 105 8.217 21.740 21.740 806 HA PRO 106 HA PRO 106 14.240 20.025 20.025 807 1HB PRO 106 2HB PRO 106 14.900 21.073 21.073 808 2HB PRO 106 1HB PRO 106 14.733 22.098 22.098 809 1HG PRO 106 2HG PRO 106 12.585 21.465 21.465 810 2HG PRO 106 1HG PRO 106 13.141 23.059 23.059 811 1HD PRO 106 2HD PRO 106 10.945 22.019 22.019 812 2HD PRO 106 1HD PRO 106 12.142 22.794 22.794 813 H SER 107 H SER 107 11.755 19.390 19.390 814 HA SER 107 HA SER 107 13.211 17.096 17.096 815 1HB SER 107 2HB SER 107 10.344 17.944 17.944 816 2HB SER 107 1HB SER 107 11.556 17.204 17.204 817 HG SER 107 HG SER 107 12.384 19.135 19.135 818 H ALA 108 H ALA 108 10.573 17.990 17.990 819 HA ALA 108 HA ALA 108 9.129 15.647 15.647 820 1HB ALA 108 2HB ALA 108 9.948 17.550 17.550 821 2HB ALA 108 1HB ALA 108 8.827 16.227 16.227 822 3HB ALA 108 3HB ALA 108 8.449 17.521 17.521 823 H VAL 109 H VAL 109 12.158 16.549 16.549 824 HA VAL 109 HA VAL 109 12.710 14.525 14.525 825 HB VAL 109 HB VAL 109 14.290 16.358 16.358 826 1HG1 VAL 109 3HG1 VAL 109 14.090 16.052 16.052 827 2HG1 VAL 109 2HG1 VAL 109 14.982 14.542 14.542 828 3HG1 VAL 109 1HG1 VAL 109 15.761 16.055 16.055 829 1HG2 VAL 109 1HG2 VAL 109 15.143 14.522 14.522 830 2HG2 VAL 109 3HG2 VAL 109 16.385 15.085 15.085 831 3HG2 VAL 109 2HG2 VAL 109 15.531 13.584 13.584 832 H SER 110 H SER 110 12.730 14.289 14.289 833 HA SER 110 HA SER 110 13.548 11.465 11.465 834 1HB SER 110 2HB SER 110 14.008 13.233 13.233 835 2HB SER 110 1HB SER 110 12.284 13.195 13.195 836 HG SER 110 HG SER 110 14.212 11.403 11.403 837 H LEU 111 H LEU 111 10.567 13.311 13.311 838 HA LEU 111 HA LEU 111 8.832 11.117 11.117 839 1HB LEU 111 2HB LEU 111 7.075 12.642 12.642 840 2HB LEU 111 1HB LEU 111 8.350 13.818 13.818 841 HG LEU 111 HG LEU 111 8.220 13.653 13.653 842 1HD1 LEU 111 3HD1 LEU 111 5.552 12.288 12.288 843 2HD1 LEU 111 2HD1 LEU 111 6.119 12.850 12.850 844 3HD1 LEU 111 1HD1 LEU 111 6.865 11.476 11.476 845 1HD2 LEU 111 3HD2 LEU 111 5.803 14.721 14.721 846 2HD2 LEU 111 2HD2 LEU 111 7.283 15.567 15.567 847 3HD2 LEU 111 1HD2 LEU 111 6.252 15.090 15.090 848 H HIS 112 H HIS 112 9.655 12.452 12.452 849 HA HIS 112 HA HIS 112 8.216 10.551 10.551 850 1HB HIS 112 2HB HIS 112 9.318 11.408 11.408 851 2HB HIS 112 1HB HIS 112 9.607 12.691 12.691 852 HD1 HIS 112 HD1 HIS 112 11.720 9.532 9.532 853 HD2 HIS 112 HD2 HIS 112 11.887 13.609 13.609 854 HE1 HIS 112 HE1 HIS 112 14.066 10.139 10.139 855 H SER 113 H SER 113 11.626 10.384 10.384 856 HA SER 113 HA SER 113 12.490 7.946 7.946 857 1HB SER 113 2HB SER 113 13.607 9.464 9.464 858 2HB SER 113 1HB SER 113 12.636 8.582 8.582 859 HG SER 113 HG SER 113 14.887 7.774 7.774 860 H LYS 114 H LYS 114 10.370 8.347 8.347 861 HA LYS 114 HA LYS 114 9.783 5.570 5.570 862 1HB LYS 114 2HB LYS 114 7.772 7.851 7.851 863 2HB LYS 114 1HB LYS 114 7.839 6.316 6.316 864 1HG LYS 114 2HG LYS 114 10.168 6.961 6.961 865 2HG LYS 114 1HG LYS 114 9.900 8.554 8.554 866 1HD LYS 114 2HD LYS 114 7.912 8.926 8.926 867 2HD LYS 114 1HD LYS 114 8.176 7.377 7.377 868 1HE LYS 114 2HE LYS 114 10.131 9.727 9.727 869 2HE LYS 114 1HE LYS 114 9.239 9.164 9.164 870 1HZ LYS 114 1HZ LYS 114 10.551 6.974 6.974 871 2HZ LYS 114 3HZ LYS 114 11.686 8.237 8.237 872 3HZ LYS 114 2HZ LYS 114 10.889 7.675 7.675 873 H LEU 115 H LEU 115 8.089 7.944 7.944 874 HA LEU 115 HA LEU 115 5.928 6.413 6.413 875 1HB LEU 115 2HB LEU 115 6.653 9.008 9.008 876 2HB LEU 115 1HB LEU 115 7.222 8.401 8.401 877 HG LEU 115 HG LEU 115 4.836 7.203 7.203 878 1HD1 LEU 115 3HD1 LEU 115 4.264 7.804 7.804 879 2HD1 LEU 115 2HD1 LEU 115 4.384 9.513 9.513 880 3HD1 LEU 115 1HD1 LEU 115 3.112 8.531 8.531 881 1HD2 LEU 115 1HD2 LEU 115 5.236 10.175 10.175 882 2HD2 LEU 115 3HD2 LEU 115 5.497 8.936 8.936 883 3HD2 LEU 115 2HD2 LEU 115 3.886 9.256 9.256 884 H ASN 116 H ASN 116 9.182 6.861 6.861 885 HA ASN 116 HA ASN 116 9.039 5.517 5.517 886 1HB ASN 116 2HB ASN 116 11.326 5.319 5.319 887 2HB ASN 116 1HB ASN 116 11.391 4.698 4.698 888 1HD2 ASN 116 2HD2 ASN 116 12.111 7.795 7.795 889 2HD2 ASN 116 1HD2 ASN 116 11.848 6.126 6.126 890 H ALA 117 H ALA 117 9.594 4.296 4.296 891 HA ALA 117 HA ALA 117 9.733 1.613 1.613 892 1HB ALA 117 2HB ALA 117 8.527 2.529 2.529 893 2HB ALA 117 1HB ALA 117 8.972 0.883 0.883 894 3HB ALA 117 3HB ALA 117 10.219 2.108 2.108 895 H THR 118 H THR 118 6.848 3.223 3.223 896 HA THR 118 HA THR 118 4.962 1.254 1.254 897 HB THR 118 HB THR 118 3.375 3.450 3.450 898 HG1 THR 118 HG1 THR 118 5.672 4.403 4.403 899 1HG2 THR 118 2HG2 THR 118 4.537 3.269 3.269 900 2HG2 THR 118 1HG2 THR 118 3.071 4.112 4.112 901 3HG2 THR 118 3HG2 THR 118 3.119 2.365 2.365 902 H ILE 119 H ILE 119 5.930 3.605 3.605 903 HA ILE 119 HA ILE 119 4.406 2.677 2.677 904 HB ILE 119 HB ILE 119 7.066 4.142 4.142 905 1HG1 ILE 119 2HG1 ILE 119 4.306 5.212 5.212 906 2HG1 ILE 119 1HG1 ILE 119 4.852 5.146 5.146 907 1HG2 ILE 119 3HG2 ILE 119 6.881 3.128 3.128 908 2HG2 ILE 119 2HG2 ILE 119 5.294 3.851 3.851 909 3HG2 ILE 119 1HG2 ILE 119 6.726 4.870 4.870 910 1HD1 ILE 119 3HD1 ILE 119 6.317 6.645 6.645 911 2HD1 ILE 119 2HD1 ILE 119 5.269 7.363 7.363 912 3HD1 ILE 119 1HD1 ILE 119 6.760 6.601 6.601 913 H ASP 120 H ASP 120 7.765 1.954 1.954 914 HA ASP 120 HA ASP 120 8.258 0.122 0.122 915 1HB ASP 120 2HB ASP 120 9.981 1.184 1.184 916 2HB ASP 120 1HB ASP 120 9.489 0.046 0.046 917 H VAL 121 H VAL 121 7.555 -0.535 -0.535 918 HA VAL 121 HA VAL 121 7.204 -3.338 -3.338 919 HB VAL 121 HB VAL 121 6.294 -3.137 -3.137 920 1HG1 VAL 121 1HG1 VAL 121 8.680 -2.658 -2.658 921 2HG1 VAL 121 3HG1 VAL 121 8.357 -0.955 -0.955 922 3HG1 VAL 121 2HG1 VAL 121 7.911 -1.748 -1.748 923 1HG2 VAL 121 1HG2 VAL 121 5.819 -0.298 -0.298 924 2HG2 VAL 121 3HG2 VAL 121 4.583 -1.493 -1.493 925 3HG2 VAL 121 2HG2 VAL 121 5.664 -0.963 -0.963 926 H MET 122 H MET 122 5.147 -0.692 -0.692 927 HA MET 122 HA MET 122 2.709 -2.322 -2.322 928 1HB MET 122 2HB MET 122 3.462 0.496 0.496 929 2HB MET 122 1HB MET 122 1.984 -0.225 -0.225 930 1HG MET 122 2HG MET 122 1.133 -0.499 -0.499 931 2HG MET 122 1HG MET 122 2.677 -0.319 -0.319 932 1HE MET 122 2HE MET 122 -0.471 0.775 0.775 933 2HE MET 122 1HE MET 122 0.105 1.590 1.590 934 3HE MET 122 3HE MET 122 -0.503 2.516 2.516 935 H ARG 123 H ARG 123 4.984 -0.896 -0.896 936 HA ARG 123 HA ARG 123 3.962 -2.034 -2.034 937 1HB ARG 123 2HB ARG 123 6.817 -1.575 -1.575 938 2HB ARG 123 1HB ARG 123 6.640 -2.588 -2.588 939 1HG ARG 123 2HG ARG 123 5.144 0.016 0.016 940 2HG ARG 123 1HG ARG 123 6.880 0.142 0.142 941 1HD ARG 123 2HD ARG 123 5.179 -1.604 -1.604 942 2HD ARG 123 1HD ARG 123 5.820 -0.017 -0.017 943 HE ARG 123 HE ARG 123 8.103 -1.123 -1.123 944 1HH1 ARG 123 2HH1 ARG 123 5.568 -2.705 -2.705 945 2HH1 ARG 123 1HH1 ARG 123 6.611 -3.761 -3.761 946 1HH2 ARG 123 1HH2 ARG 123 9.512 -2.476 -2.476 947 2HH2 ARG 123 2HH2 ARG 123 8.895 -3.664 -3.664 948 H GLY 124 H GLY 124 5.922 -3.441 -3.441 949 1HA GLY 124 2HA GLY 124 6.051 -6.121 -6.121 950 2HA GLY 124 1HA GLY 124 6.294 -5.631 -5.631 951 H LEU 125 H LEU 125 3.944 -4.825 -4.825 952 HA LEU 125 HA LEU 125 2.395 -7.165 -7.165 953 1HB LEU 125 2HB LEU 125 1.892 -4.240 -4.240 954 2HB LEU 125 1HB LEU 125 0.422 -5.139 -5.139 955 HG LEU 125 HG LEU 125 1.450 -6.772 -6.772 956 1HD1 LEU 125 2HD1 LEU 125 3.684 -5.662 -5.662 957 2HD1 LEU 125 1HD1 LEU 125 2.918 -4.193 -4.193 958 3HD1 LEU 125 3HD1 LEU 125 2.847 -5.646 -5.646 959 1HD2 LEU 125 1HD2 LEU 125 0.324 -4.051 -4.051 960 2HD2 LEU 125 3HD2 LEU 125 -0.601 -5.501 -5.501 961 3HD2 LEU 125 2HD2 LEU 125 0.384 -5.454 -5.454 962 H LEU 126 H LEU 126 1.758 -4.609 -4.609 963 HA LEU 126 HA LEU 126 -0.440 -5.846 -5.846 964 1HB LEU 126 2HB LEU 126 1.668 -3.919 -3.919 965 2HB LEU 126 1HB LEU 126 0.597 -4.611 -4.611 966 HG LEU 126 HG LEU 126 -1.275 -3.977 -3.977 967 1HD1 LEU 126 3HD1 LEU 126 0.875 -1.939 -1.939 968 2HD1 LEU 126 2HD1 LEU 126 -0.809 -1.940 -1.940 969 3HD1 LEU 126 1HD1 LEU 126 0.259 -3.113 -3.113 970 1HD2 LEU 126 1HD2 LEU 126 -1.093 -2.990 -2.990 971 2HD2 LEU 126 3HD2 LEU 126 -1.659 -1.970 -1.970 972 3HD2 LEU 126 2HD2 LEU 126 -0.019 -1.780 -1.780 973 H SER 127 H SER 127 2.889 -5.908 -5.908 974 HA SER 127 HA SER 127 2.661 -7.648 -7.648 975 1HB SER 127 2HB SER 127 4.776 -6.382 -6.382 976 2HB SER 127 1HB SER 127 5.030 -7.829 -7.829 977 HG SER 127 HG SER 127 5.744 -8.718 -8.718 978 H ASN 128 H ASN 128 2.948 -8.340 -8.340 979 HA ASN 128 HA ASN 128 3.057 -11.189 -11.189 980 1HB ASN 128 2HB ASN 128 2.292 -9.223 -9.223 981 2HB ASN 128 1HB ASN 128 2.033 -10.923 -10.923 982 1HD2 ASN 128 2HD2 ASN 128 5.710 -9.447 -9.447 983 2HD2 ASN 128 1HD2 ASN 128 4.392 -8.438 -8.438 984 H VAL 129 H VAL 129 0.459 -8.847 -8.847 985 HA VAL 129 HA VAL 129 -1.578 -10.765 -10.765 986 HB VAL 129 HB VAL 129 -1.465 -7.919 -7.919 987 1HG1 VAL 129 2HG1 VAL 129 -3.947 -9.677 -9.677 988 2HG1 VAL 129 1HG1 VAL 129 -4.027 -7.929 -7.929 989 3HG1 VAL 129 3HG1 VAL 129 -3.245 -8.770 -8.770 990 1HG2 VAL 129 2HG2 VAL 129 -2.924 -9.344 -9.344 991 2HG2 VAL 129 1HG2 VAL 129 -1.452 -8.406 -8.406 992 3HG2 VAL 129 3HG2 VAL 129 -2.956 -7.616 -7.616 993 H LEU 130 H LEU 130 -0.936 -8.922 -8.922 994 HA LEU 130 HA LEU 130 -2.438 -10.498 -10.498 995 1HB LEU 130 2HB LEU 130 -0.237 -8.560 -8.560 996 2HB LEU 130 1HB LEU 130 -0.049 -9.843 -9.843 997 HG LEU 130 HG LEU 130 -1.453 -7.886 -7.886 998 1HD1 LEU 130 3HD1 LEU 130 -2.896 -10.578 -10.578 999 2HD1 LEU 130 2HD1 LEU 130 -3.279 -9.310 -9.310 1000 3HD1 LEU 130 1HD1 LEU 130 -1.731 -10.111 -10.111 1001 1HD2 LEU 130 2HD2 LEU 130 -2.677 -7.369 -7.369 1002 2HD2 LEU 130 1HD2 LEU 130 -3.742 -7.622 -7.622 1003 3HD2 LEU 130 3HD2 LEU 130 -3.563 -8.865 -8.865 1004 H CYS 131 H CYS 131 0.826 -11.112 -11.112 1005 HA CYS 131 HA CYS 131 1.352 -13.435 -13.435 1006 1HB CYS 131 2HB CYS 131 2.985 -12.057 -12.057 1007 2HB CYS 131 1HB CYS 131 2.293 -12.846 -12.846 1008 H ARG 132 H ARG 132 -0.268 -13.008 -13.008 1009 HA ARG 132 HA ARG 132 -0.692 -15.918 -15.918 1010 1HB ARG 132 2HB ARG 132 -0.875 -13.693 -13.693 1011 2HB ARG 132 1HB ARG 132 -2.481 -14.345 -14.345 1012 1HG ARG 132 2HG ARG 132 -1.296 -15.554 -15.554 1013 2HG ARG 132 1HG ARG 132 -1.644 -16.620 -16.620 1014 1HD ARG 132 2HD ARG 132 0.778 -16.627 -16.627 1015 2HD ARG 132 1HD ARG 132 0.568 -16.786 -16.786 1016 HE ARG 132 HE ARG 132 0.924 -14.320 -14.320 1017 1HH1 ARG 132 2HH1 ARG 132 2.140 -15.932 -15.932 1018 2HH1 ARG 132 1HH1 ARG 132 3.304 -14.706 -14.706 1019 1HH2 ARG 132 1HH2 ARG 132 2.358 -12.835 -12.835 1020 2HH2 ARG 132 2HH2 ARG 132 3.477 -12.864 -12.864 1021 H LEU 133 H LEU 133 -2.910 -13.165 -13.165 1022 HA LEU 133 HA LEU 133 -5.298 -14.282 -14.282 1023 1HB LEU 133 2HB LEU 133 -4.006 -12.257 -12.257 1024 2HB LEU 133 1HB LEU 133 -5.683 -12.674 -12.674 1025 HG LEU 133 HG LEU 133 -4.547 -11.643 -11.643 1026 1HD1 LEU 133 1HD1 LEU 133 -4.551 -9.889 -9.889 1027 2HD1 LEU 133 3HD1 LEU 133 -6.252 -10.171 -10.171 1028 3HD1 LEU 133 2HD1 LEU 133 -5.741 -9.537 -9.537 1029 1HD2 LEU 133 1HD2 LEU 133 -7.408 -12.061 -12.061 1030 2HD2 LEU 133 3HD2 LEU 133 -6.609 -12.974 -12.974 1031 3HD2 LEU 133 2HD2 LEU 133 -6.984 -11.298 -11.298 1032 H CYS 134 H CYS 134 -3.144 -14.424 -14.424 1033 HA CYS 134 HA CYS 134 -4.641 -15.676 -15.676 1034 1HB CYS 134 2HB CYS 134 -1.838 -15.721 -15.721 1035 2HB CYS 134 1HB CYS 134 -2.303 -17.340 -17.340 1036 H ASN 135 H ASN 135 -3.293 -17.256 -17.256 1037 HA ASN 135 HA ASN 135 -3.690 -19.917 -19.917 1038 1HB ASN 135 2HB ASN 135 -3.306 -18.900 -18.900 1039 2HB ASN 135 1HB ASN 135 -4.888 -18.141 -18.141 1040 1HD2 ASN 135 2HD2 ASN 135 -5.579 -21.077 -21.077 1041 2HD2 ASN 135 1HD2 ASN 135 -5.054 -19.459 -19.459 1042 H LYS 136 H LYS 136 -6.419 -17.713 -17.713 1043 HA LYS 136 HA LYS 136 -8.094 -19.606 -19.606 1044 1HB LYS 136 2HB LYS 136 -8.984 -18.304 -18.304 1045 2HB LYS 136 1HB LYS 136 -9.935 -19.405 -19.405 1046 1HG LYS 136 2HG LYS 136 -7.837 -21.070 -21.070 1047 2HG LYS 136 1HG LYS 136 -7.447 -19.944 -19.944 1048 1HD LYS 136 2HD LYS 136 -8.718 -21.786 -21.786 1049 2HD LYS 136 1HD LYS 136 -9.581 -20.273 -20.273 1050 1HE LYS 136 2HE LYS 136 -11.047 -22.189 -22.189 1051 2HE LYS 136 1HE LYS 136 -11.071 -20.843 -20.843 1052 1HZ LYS 136 2HZ LYS 136 -8.946 -22.610 -22.610 1053 2HZ LYS 136 1HZ LYS 136 -10.394 -23.485 -23.485 1054 3HZ LYS 136 3HZ LYS 136 -10.280 -22.152 -22.152 1055 H TYR 137 H TYR 137 -6.920 -16.770 -16.770 1056 HA TYR 137 HA TYR 137 -9.227 -15.522 -15.522 1057 1HB TYR 137 2HB TYR 137 -7.378 -13.870 -13.870 1058 2HB TYR 137 1HB TYR 137 -9.002 -13.471 -13.471 1059 HD1 TYR 137 HD1 TYR 137 -10.812 -15.467 -15.467 1060 HD2 TYR 137 HD2 TYR 137 -7.162 -14.378 -14.378 1061 HE1 TYR 137 HE1 TYR 137 -11.594 -16.388 -16.388 1062 HE2 TYR 137 HE2 TYR 137 -7.901 -15.273 -15.273 1063 HH TYR 137 HH TYR 137 -9.906 -17.297 -17.297 1064 H ARG 138 H ARG 138 -7.724 -16.739 -16.739 1065 HA ARG 138 HA ARG 138 -5.324 -15.148 -15.148 1066 1HB ARG 138 2HB ARG 138 -4.871 -17.104 -17.104 1067 2HB ARG 138 1HB ARG 138 -4.902 -17.512 -17.512 1068 1HG ARG 138 2HG ARG 138 -7.487 -18.133 -18.133 1069 2HG ARG 138 1HG ARG 138 -7.003 -18.053 -18.053 1070 1HD ARG 138 2HD ARG 138 -6.860 -20.374 -20.374 1071 2HD ARG 138 1HD ARG 138 -5.308 -19.719 -19.719 1072 HE ARG 138 HE ARG 138 -6.064 -19.430 -19.430 1073 1HH1 ARG 138 2HH1 ARG 138 -4.074 -20.936 -20.936 1074 2HH1 ARG 138 1HH1 ARG 138 -2.905 -21.503 -21.503 1075 1HH2 ARG 138 1HH2 ARG 138 -4.703 -20.158 -20.158 1076 2HH2 ARG 138 2HH2 ARG 138 -3.285 -21.047 -21.047 1077 H VAL 139 H VAL 139 -8.501 -15.783 -15.783 1078 HA VAL 139 HA VAL 139 -8.964 -15.599 -15.599 1079 HB VAL 139 HB VAL 139 -10.794 -15.193 -15.193 1080 1HG1 VAL 139 1HG1 VAL 139 -9.526 -13.993 -13.993 1081 2HG1 VAL 139 3HG1 VAL 139 -9.594 -12.514 -12.514 1082 3HG1 VAL 139 2HG1 VAL 139 -11.060 -13.263 -13.263 1083 1HG2 VAL 139 3HG2 VAL 139 -11.145 -14.035 -14.035 1084 2HG2 VAL 139 2HG2 VAL 139 -11.937 -13.169 -13.169 1085 3HG2 VAL 139 1HG2 VAL 139 -10.428 -12.566 -12.566 1086 H GLY 140 H GLY 140 -8.119 -12.566 -12.566 1087 1HA GLY 140 2HA GLY 140 -6.213 -11.219 -11.219 1088 2HA GLY 140 1HA GLY 140 -6.748 -11.647 -11.647 1089 H HIS 141 H HIS 141 -8.570 -10.330 -10.330 1090 HA HIS 141 HA HIS 141 -8.916 -7.760 -7.760 1091 1HB HIS 141 2HB HIS 141 -11.375 -7.866 -7.866 1092 2HB HIS 141 1HB HIS 141 -10.746 -9.182 -9.182 1093 HD1 HIS 141 HD1 HIS 141 -13.091 -10.292 -10.292 1094 HD2 HIS 141 HD2 HIS 141 -10.375 -9.899 -9.899 1095 HE1 HIS 141 HE1 HIS 141 -13.861 -11.781 -11.781 1096 H VAL 142 H VAL 142 -7.469 -7.602 -7.602 1097 HA VAL 142 HA VAL 142 -9.157 -7.081 -7.081 1098 HB VAL 142 HB VAL 142 -7.166 -8.214 -8.214 1099 1HG1 VAL 142 1HG1 VAL 142 -5.568 -6.380 -6.380 1100 2HG1 VAL 142 3HG1 VAL 142 -4.892 -7.627 -7.627 1101 3HG1 VAL 142 2HG1 VAL 142 -5.925 -8.080 -8.080 1102 1HG2 VAL 142 2HG2 VAL 142 -7.464 -6.150 -6.150 1103 2HG2 VAL 142 1HG2 VAL 142 -5.753 -6.587 -6.587 1104 3HG2 VAL 142 3HG2 VAL 142 -6.423 -5.314 -5.314 1105 H ASP 143 H ASP 143 -7.772 -5.624 -5.624 1106 HA ASP 143 HA ASP 143 -7.183 -3.401 -3.401 1107 1HB ASP 143 2HB ASP 143 -9.994 -3.150 -3.150 1108 2HB ASP 143 1HB ASP 143 -9.243 -2.162 -2.162 1109 H VAL 144 H VAL 144 -5.933 -2.489 -2.489 1110 HA VAL 144 HA VAL 144 -6.801 -0.669 -0.669 1111 HB VAL 144 HB VAL 144 -4.051 -1.869 -1.869 1112 1HG1 VAL 144 2HG1 VAL 144 -5.295 -0.415 -0.415 1113 2HG1 VAL 144 1HG1 VAL 144 -3.709 -1.193 -1.193 1114 3HG1 VAL 144 3HG1 VAL 144 -4.024 0.175 0.175 1115 1HG2 VAL 144 2HG2 VAL 144 -6.338 -2.870 -2.870 1116 2HG2 VAL 144 1HG2 VAL 144 -5.665 -3.625 -3.625 1117 3HG2 VAL 144 3HG2 VAL 144 -4.707 -3.513 -3.513 1118 HA PRO 145 HA PRO 145 -4.806 2.531 2.531 1119 1HB PRO 145 2HB PRO 145 -6.661 4.483 4.483 1120 2HB PRO 145 1HB PRO 145 -6.866 3.285 3.285 1121 1HG PRO 145 2HG PRO 145 -8.041 3.223 3.223 1122 2HG PRO 145 1HG PRO 145 -8.908 3.027 3.027 1123 1HD PRO 145 2HD PRO 145 -8.072 0.850 0.850 1124 2HD PRO 145 1HD PRO 145 -8.055 0.795 0.795 1125 HA PRO 146 HA PRO 146 -3.729 4.085 4.085 1126 1HB PRO 146 2HB PRO 146 -1.294 5.076 5.076 1127 2HB PRO 146 1HB PRO 146 -1.556 3.330 3.330 1128 1HG PRO 146 2HG PRO 146 -1.509 5.432 5.432 1129 2HG PRO 146 1HG PRO 146 -0.680 3.877 3.877 1130 1HD PRO 146 2HD PRO 146 -3.200 4.268 4.268 1131 2HD PRO 146 1HD PRO 146 -2.646 2.680 2.680 1132 H VAL 147 H VAL 147 -5.504 5.657 5.657 1133 HA VAL 147 HA VAL 147 -4.833 8.283 8.283 1134 HB VAL 147 HB VAL 147 -6.975 7.179 7.179 1135 1HG1 VAL 147 2HG1 VAL 147 -7.445 6.010 6.010 1136 2HG1 VAL 147 1HG1 VAL 147 -7.731 7.552 7.552 1137 3HG1 VAL 147 3HG1 VAL 147 -8.801 6.995 6.995 1138 1HG2 VAL 147 3HG2 VAL 147 -7.328 9.758 9.758 1139 2HG2 VAL 147 2HG2 VAL 147 -6.870 9.641 9.641 1140 3HG2 VAL 147 1HG2 VAL 147 -8.466 9.134 9.134 1141 HA PRO 148 HA PRO 148 -4.684 9.798 9.798 1142 1HB PRO 148 2HB PRO 148 -3.381 12.076 12.076 1143 2HB PRO 148 1HB PRO 148 -2.595 10.512 10.512 1144 1HG PRO 148 2HG PRO 148 -3.754 12.503 12.503 1145 2HG PRO 148 1HG PRO 148 -2.337 11.481 11.481 1146 1HD PRO 148 2HD PRO 148 -4.978 10.806 10.806 1147 2HD PRO 148 1HD PRO 148 -3.535 9.770 9.770 1148 H ASP 149 H ASP 149 -5.672 11.892 11.892 1149 HA ASP 149 HA ASP 149 -6.987 13.830 13.830 1150 1HB ASP 149 2HB ASP 149 -8.445 11.620 11.620 1151 2HB ASP 149 1HB ASP 149 -9.139 12.087 12.087 1152 H HIS 150 H HIS 150 -5.777 14.802 14.802 1153 HA HIS 150 HA HIS 150 -7.223 15.169 15.169 1154 1HB HIS 150 2HB HIS 150 -4.438 16.176 16.176 1155 2HB HIS 150 1HB HIS 150 -5.100 16.044 16.044 1156 HD1 HIS 150 HD1 HIS 150 -5.963 12.962 12.962 1157 HD2 HIS 150 HD2 HIS 150 -2.361 14.476 14.476 1158 HE1 HIS 150 HE1 HIS 150 -4.359 11.118 11.118 1159 H SER 151 H SER 151 -8.219 16.089 16.089 1160 HA SER 151 HA SER 151 -7.716 18.980 18.980 1161 1HB SER 151 2HB SER 151 -9.829 17.284 17.284 1162 2HB SER 151 1HB SER 151 -8.975 18.710 18.710 1163 HG SER 151 HG SER 151 -8.268 16.154 16.154 1164 H ASP 152 H ASP 152 -8.417 18.328 18.328 1165 HA ASP 152 HA ASP 152 -11.323 18.973 18.973 1166 1HB ASP 152 2HB ASP 152 -11.183 16.947 16.947 1167 2HB ASP 152 1HB ASP 152 -9.465 17.016 17.016 1168 H LYS 153 H LYS 153 -8.155 19.641 19.641 1169 HA LYS 153 HA LYS 153 -9.173 22.329 22.329 1170 1HB LYS 153 2HB LYS 153 -7.397 20.539 20.539 1171 2HB LYS 153 1HB LYS 153 -8.142 22.034 22.034 1172 1HG LYS 153 2HG LYS 153 -10.379 20.752 20.752 1173 2HG LYS 153 1HG LYS 153 -9.295 19.377 19.377 1174 1HD LYS 153 2HD LYS 153 -8.580 19.830 19.830 1175 2HD LYS 153 1HD LYS 153 -9.634 21.241 21.241 1176 1HE LYS 153 2HE LYS 153 -11.614 19.685 19.685 1177 2HE LYS 153 1HE LYS 153 -10.534 18.320 18.320 1178 1HZ LYS 153 3HZ LYS 153 -10.233 19.947 19.947 1179 2HZ LYS 153 2HZ LYS 153 -11.893 19.744 19.744 1180 3HZ LYS 153 1HZ LYS 153 -10.923 18.399 18.399 1181 H GLU 154 H GLU 154 -7.250 24.039 24.039 1182 HA GLU 154 HA GLU 154 -5.190 23.336 23.336 1183 1HB GLU 154 2HB GLU 154 -6.475 25.585 25.585 1184 2HB GLU 154 1HB GLU 154 -5.468 26.086 26.086 1185 1HG GLU 154 2HG GLU 154 -4.103 24.912 24.912 1186 2HG GLU 154 1HG GLU 154 -4.754 26.529 26.529 1187 H VAL 155 H VAL 155 -4.424 25.471 25.471 1188 HA VAL 155 HA VAL 155 -1.834 24.687 24.687 1189 HB VAL 155 HB VAL 155 -2.236 25.408 25.408 1190 1HG1 VAL 155 1HG1 VAL 155 -1.708 27.092 27.092 1191 2HG1 VAL 155 3HG1 VAL 155 -3.419 27.265 27.265 1192 3HG1 VAL 155 2HG1 VAL 155 -2.769 27.766 27.766 1193 1HG2 VAL 155 1HG2 VAL 155 -5.109 25.831 25.831 1194 2HG2 VAL 155 3HG2 VAL 155 -4.632 24.649 24.649 1195 3HG2 VAL 155 2HG2 VAL 155 -4.483 26.350 26.350 1196 H PHE 156 H PHE 156 -4.735 23.341 23.341 1197 HA PHE 156 HA PHE 156 -3.600 21.186 21.186 1198 1HB PHE 156 2HB PHE 156 -6.265 20.945 20.945 1199 2HB PHE 156 1HB PHE 156 -5.770 20.403 20.403 1200 HD1 PHE 156 HD2 PHE 156 -6.784 23.332 23.332 1201 HD2 PHE 156 HD1 PHE 156 -5.912 21.904 21.904 1202 HE1 PHE 156 HE2 PHE 156 -7.806 25.316 25.316 1203 HE2 PHE 156 HE1 PHE 156 -6.939 23.926 23.926 1204 HZ PHE 156 HZ PHE 156 -7.889 25.634 25.634 1205 H GLN 157 H GLN 157 -4.799 21.334 21.334 1206 HA GLN 157 HA GLN 157 -4.558 18.598 18.598 1207 1HB GLN 157 2HB GLN 157 -5.179 19.842 19.842 1208 2HB GLN 157 1HB GLN 157 -3.922 21.046 21.046 1209 1HG GLN 157 2HG GLN 157 -2.311 19.033 19.033 1210 2HG GLN 157 1HG GLN 157 -3.787 18.242 18.242 1211 1HE2 GLN 157 2HE2 GLN 157 -3.828 20.160 20.160 1212 2HE2 GLN 157 1HE2 GLN 157 -4.359 18.765 18.765 1213 H LYS 158 H LYS 158 -2.119 20.989 20.989 1214 HA LYS 158 HA LYS 158 -0.005 18.974 18.974 1215 1HB LYS 158 2HB LYS 158 0.146 21.844 21.844 1216 2HB LYS 158 1HB LYS 158 1.497 20.893 20.893 1217 1HG LYS 158 2HG LYS 158 0.798 21.008 21.008 1218 2HG LYS 158 1HG LYS 158 -0.903 21.092 21.092 1219 1HD LYS 158 2HD LYS 158 -0.602 23.476 23.476 1220 2HD LYS 158 1HD LYS 158 1.076 23.373 23.373 1221 1HE LYS 158 2HE LYS 158 0.310 22.802 22.802 1222 2HE LYS 158 1HE LYS 158 -1.359 22.782 22.782 1223 1HZ LYS 158 2HZ LYS 158 -0.387 25.291 25.291 1224 2HZ LYS 158 1HZ LYS 158 0.146 25.012 25.012 1225 3HZ LYS 158 3HZ LYS 158 -1.475 24.983 24.983 1226 H LYS 159 H LYS 159 -0.450 21.011 21.011 1227 HA LYS 159 HA LYS 159 0.929 19.516 19.516 1228 1HB LYS 159 2HB LYS 159 -1.702 20.984 20.984 1229 2HB LYS 159 1HB LYS 159 -0.902 20.310 20.310 1230 1HG LYS 159 2HG LYS 159 1.054 21.830 21.830 1231 2HG LYS 159 1HG LYS 159 -0.368 22.834 22.834 1232 1HD LYS 159 2HD LYS 159 -0.252 22.138 22.138 1233 2HD LYS 159 1HD LYS 159 1.285 21.402 21.402 1234 1HE LYS 159 2HE LYS 159 1.620 23.557 23.557 1235 2HE LYS 159 1HE LYS 159 2.261 23.552 23.552 1236 1HZ LYS 159 1HZ LYS 159 -0.444 24.330 24.330 1237 2HZ LYS 159 3HZ LYS 159 0.333 25.156 25.156 1238 3HZ LYS 159 2HZ LYS 159 0.922 25.312 25.312 1239 H LYS 160 H LYS 160 -2.368 18.875 18.875 1240 HA LYS 160 HA LYS 160 -2.348 16.373 16.373 1241 1HB LYS 160 2HB LYS 160 -4.641 17.135 17.135 1242 2HB LYS 160 1HB LYS 160 -4.371 18.449 18.449 1243 1HG LYS 160 2HG LYS 160 -5.232 15.689 15.689 1244 2HG LYS 160 1HG LYS 160 -6.400 16.904 16.904 1245 1HD LYS 160 2HD LYS 160 -5.704 18.298 18.298 1246 2HD LYS 160 1HD LYS 160 -4.284 17.314 17.314 1247 1HE LYS 160 2HE LYS 160 -6.077 16.935 16.935 1248 2HE LYS 160 1HE LYS 160 -5.615 15.464 15.464 1249 1HZ LYS 160 2HZ LYS 160 -7.780 16.715 16.715 1250 2HZ LYS 160 1HZ LYS 160 -8.220 16.623 16.623 1251 3HZ LYS 160 3HZ LYS 160 -7.773 15.219 15.219 1252 H LEU 161 H LEU 161 -1.676 17.115 17.115 1253 HA LEU 161 HA LEU 161 -2.711 15.374 15.374 1254 1HB LEU 161 2HB LEU 161 -0.375 16.716 16.716 1255 2HB LEU 161 1HB LEU 161 0.251 15.176 15.176 1256 HG LEU 161 HG LEU 161 -1.476 15.596 15.596 1257 1HD1 LEU 161 3HD1 LEU 161 0.423 17.160 17.160 1258 2HD1 LEU 161 2HD1 LEU 161 1.553 15.857 15.857 1259 3HD1 LEU 161 1HD1 LEU 161 0.616 15.852 15.852 1260 1HD2 LEU 161 3HD2 LEU 161 0.690 13.557 13.557 1261 2HD2 LEU 161 2HD2 LEU 161 -1.017 13.206 13.206 1262 3HD2 LEU 161 1HD2 LEU 161 -0.215 13.521 13.521 1263 H GLY 162 H GLY 162 -0.684 14.401 14.401 1264 1HA GLY 162 2HA GLY 162 -1.416 11.532 11.532 1265 2HA GLY 162 1HA GLY 162 -0.054 12.077 12.077 1266 H CYS 163 H CYS 163 -1.741 14.157 14.157 1267 HA CYS 163 HA CYS 163 -2.652 12.777 12.777 1268 1HB CYS 163 2HB CYS 163 -1.851 15.206 15.206 1269 2HB CYS 163 1HB CYS 163 -3.583 15.462 15.462 1270 H GLN 164 H GLN 164 -4.666 14.217 14.217 1271 HA GLN 164 HA GLN 164 -7.133 13.507 13.507 1272 1HB GLN 164 2HB GLN 164 -6.654 14.521 14.521 1273 2HB GLN 164 1HB GLN 164 -7.240 12.915 12.915 1274 1HG GLN 164 2HG GLN 164 -8.847 14.179 14.179 1275 2HG GLN 164 1HG GLN 164 -8.846 15.204 15.204 1276 1HE2 GLN 164 2HE2 GLN 164 -11.301 12.182 12.182 1277 2HE2 GLN 164 1HE2 GLN 164 -10.611 12.899 12.899 1278 H LEU 165 H LEU 165 -4.811 11.811 11.811 1279 HA LEU 165 HA LEU 165 -6.320 9.335 9.335 1280 1HB LEU 165 2HB LEU 165 -3.495 10.096 10.096 1281 2HB LEU 165 1HB LEU 165 -3.872 8.427 8.427 1282 HG LEU 165 HG LEU 165 -4.105 8.854 8.854 1283 1HD1 LEU 165 3HD1 LEU 165 -6.871 8.660 8.660 1284 2HD1 LEU 165 2HD1 LEU 165 -6.512 8.333 8.333 1285 3HD1 LEU 165 1HD1 LEU 165 -5.819 7.319 7.319 1286 1HD2 LEU 165 1HD2 LEU 165 -5.988 11.146 11.146 1287 2HD2 LEU 165 3HD2 LEU 165 -4.364 11.267 11.267 1288 3HD2 LEU 165 2HD2 LEU 165 -5.642 10.485 10.485 1289 H LEU 166 H LEU 166 -3.539 10.594 10.594 1290 HA LEU 166 HA LEU 166 -3.460 8.049 8.049 1291 1HB LEU 166 2HB LEU 166 -2.548 10.798 10.798 1292 2HB LEU 166 1HB LEU 166 -2.759 9.770 9.770 1293 HG LEU 166 HG LEU 166 -0.444 9.565 9.565 1294 1HD1 LEU 166 2HD1 LEU 166 -1.384 7.473 7.473 1295 2HD1 LEU 166 1HD1 LEU 166 -2.038 7.021 7.021 1296 3HD1 LEU 166 3HD1 LEU 166 -0.343 7.062 7.062 1297 1HD2 LEU 166 2HD2 LEU 166 -1.745 8.558 8.558 1298 2HD2 LEU 166 1HD2 LEU 166 -0.818 10.039 10.039 1299 3HD2 LEU 166 3HD2 LEU 166 -0.027 8.481 8.481 1300 H GLY 167 H GLY 167 -5.610 10.743 10.743 1301 1HA GLY 167 2HA GLY 167 -6.610 9.439 9.439 1302 2HA GLY 167 1HA GLY 167 -7.625 10.484 10.484 1303 H THR 168 H THR 168 -8.210 9.463 9.463 1304 HA THR 168 HA THR 168 -10.055 7.465 7.465 1305 HB THR 168 HB THR 168 -8.183 8.020 8.020 1306 HG1 THR 168 HG1 THR 168 -8.859 9.997 9.997 1307 1HG2 THR 168 1HG2 THR 168 -11.241 7.783 7.783 1308 2HG2 THR 168 3HG2 THR 168 -10.300 8.000 8.000 1309 3HG2 THR 168 2HG2 THR 168 -10.258 6.466 6.466 1310 H TYR 169 H TYR 169 -6.771 7.033 7.033 1311 HA TYR 169 HA TYR 169 -6.495 4.288 4.288 1312 1HB TYR 169 2HB TYR 169 -4.889 5.900 5.900 1313 2HB TYR 169 1HB TYR 169 -4.644 6.408 6.408 1314 HD1 TYR 169 HD2 TYR 169 -3.964 3.608 3.608 1315 HD2 TYR 169 HD1 TYR 169 -2.973 5.442 5.442 1316 HE1 TYR 169 HE2 TYR 169 -1.914 2.306 2.306 1317 HE2 TYR 169 HE1 TYR 169 -0.917 4.118 4.118 1318 HH TYR 169 HH TYR 169 0.542 3.281 3.281 1319 H LYS 170 H LYS 170 -6.114 6.192 6.192 1320 HA LYS 170 HA LYS 170 -5.430 3.996 3.996 1321 1HB LYS 170 2HB LYS 170 -5.266 6.563 6.563 1322 2HB LYS 170 1HB LYS 170 -6.936 6.442 6.442 1323 1HG LYS 170 2HG LYS 170 -5.816 4.664 4.664 1324 2HG LYS 170 1HG LYS 170 -4.404 5.653 5.653 1325 1HD LYS 170 2HD LYS 170 -5.346 7.095 7.095 1326 2HD LYS 170 1HD LYS 170 -6.257 7.658 7.658 1327 1HE LYS 170 2HE LYS 170 -7.892 7.120 7.120 1328 2HE LYS 170 1HE LYS 170 -7.991 5.830 5.830 1329 1HZ LYS 170 1HZ LYS 170 -5.959 5.255 5.255 1330 2HZ LYS 170 3HZ LYS 170 -7.395 5.570 5.570 1331 3HZ LYS 170 2HZ LYS 170 -7.351 4.346 4.346 1332 H GLN 171 H GLN 171 -8.411 4.650 4.650 1333 HA GLN 171 HA GLN 171 -9.881 3.139 3.139 1334 1HB GLN 171 2HB GLN 171 -11.122 4.707 4.707 1335 2HB GLN 171 1HB GLN 171 -11.966 4.039 4.039 1336 1HG GLN 171 2HG GLN 171 -10.544 5.629 5.629 1337 2HG GLN 171 1HG GLN 171 -10.088 6.434 6.434 1338 1HE2 GLN 171 2HE2 GLN 171 -13.168 8.197 8.197 1339 2HE2 GLN 171 1HE2 GLN 171 -11.542 8.198 8.198 1340 H VAL 172 H VAL 172 -9.010 3.078 3.078 1341 HA VAL 172 HA VAL 172 -10.621 0.738 0.738 1342 HB VAL 172 HB VAL 172 -9.693 1.406 1.406 1343 1HG1 VAL 172 1HG1 VAL 172 -11.734 2.531 2.531 1344 2HG1 VAL 172 3HG1 VAL 172 -10.709 3.764 3.764 1345 3HG1 VAL 172 2HG1 VAL 172 -10.769 3.570 3.570 1346 1HG2 VAL 172 2HG2 VAL 172 -8.136 3.333 3.333 1347 2HG2 VAL 172 1HG2 VAL 172 -7.478 2.058 2.058 1348 3HG2 VAL 172 3HG2 VAL 172 -8.360 3.418 3.418 1349 H ILE 173 H ILE 173 -7.139 1.688 1.688 1350 HA ILE 173 HA ILE 173 -5.963 -0.846 -0.846 1351 HB ILE 173 HB ILE 173 -5.126 1.440 1.440 1352 1HG1 ILE 173 2HG1 ILE 173 -4.952 1.796 1.796 1353 2HG1 ILE 173 1HG1 ILE 173 -3.458 1.950 1.950 1354 1HG2 ILE 173 2HG2 ILE 173 -3.533 -1.106 -1.106 1355 2HG2 ILE 173 1HG2 ILE 173 -2.897 0.357 0.357 1356 3HG2 ILE 173 3HG2 ILE 173 -4.169 -0.561 -0.561 1357 1HD1 ILE 173 3HD1 ILE 173 -2.824 -0.389 -0.389 1358 2HD1 ILE 173 2HD1 ILE 173 -4.300 -0.567 -0.567 1359 3HD1 ILE 173 1HD1 ILE 173 -3.041 0.572 0.572 1360 H SER 174 H SER 174 -6.929 0.655 0.655 1361 HA SER 174 HA SER 174 -6.496 -1.414 -1.414 1362 1HB SER 174 2HB SER 174 -8.733 -0.382 -0.382 1363 2HB SER 174 1HB SER 174 -7.202 0.528 0.528 1364 HG SER 174 HG SER 174 -8.317 1.861 1.861 1365 H VAL 175 H VAL 175 -8.820 -1.551 -1.551 1366 HA VAL 175 HA VAL 175 -10.158 -3.859 -3.859 1367 HB VAL 175 HB VAL 175 -11.683 -2.047 -2.047 1368 1HG1 VAL 175 2HG1 VAL 175 -10.771 -2.369 -2.369 1369 2HG1 VAL 175 1HG1 VAL 175 -12.268 -1.581 -1.581 1370 3HG1 VAL 175 3HG1 VAL 175 -10.758 -0.976 -0.976 1371 1HG2 VAL 175 3HG2 VAL 175 -12.580 -4.317 -4.317 1372 2HG2 VAL 175 2HG2 VAL 175 -13.350 -3.409 -3.409 1373 3HG2 VAL 175 1HG2 VAL 175 -12.080 -4.567 -4.567 1374 H VAL 176 H VAL 176 -7.955 -2.898 -2.898 1375 HA VAL 176 HA VAL 176 -8.475 -5.343 -5.343 1376 HB VAL 176 HB VAL 176 -6.755 -4.747 -4.747 1377 1HG1 VAL 176 2HG1 VAL 176 -8.724 -3.411 -3.411 1378 2HG1 VAL 176 1HG1 VAL 176 -8.073 -2.230 -2.230 1379 3HG1 VAL 176 3HG1 VAL 176 -7.360 -2.439 -2.439 1380 1HG2 VAL 176 3HG2 VAL 176 -5.772 -2.770 -2.770 1381 2HG2 VAL 176 2HG2 VAL 176 -4.976 -4.237 -4.237 1382 3HG2 VAL 176 1HG2 VAL 176 -5.150 -2.905 -2.905 1383 H VAL 177 H VAL 177 -6.222 -3.956 -3.956 1384 HA VAL 177 HA VAL 177 -4.343 -6.100 -6.100 1385 HB VAL 177 HB VAL 177 -4.237 -3.514 -3.514 1386 1HG1 VAL 177 2HG1 VAL 177 -6.091 -3.387 -3.387 1387 2HG1 VAL 177 1HG1 VAL 177 -5.283 -4.465 -4.465 1388 3HG1 VAL 177 3HG1 VAL 177 -4.610 -2.880 -2.880 1389 1HG2 VAL 177 2HG2 VAL 177 -2.873 -5.459 -5.459 1390 2HG2 VAL 177 1HG2 VAL 177 -2.270 -4.905 -4.905 1391 3HG2 VAL 177 3HG2 VAL 177 -2.438 -3.774 -3.774 1392 H GLN 178 H GLN 178 -7.429 -5.385 -5.385 1393 HA GLN 178 HA GLN 178 -7.289 -7.416 -7.416 1394 1HB GLN 178 2HB GLN 178 -8.486 -5.273 -5.273 1395 2HB GLN 178 1HB GLN 178 -9.555 -5.524 -5.524 1396 1HG GLN 178 2HG GLN 178 -9.457 -7.725 -7.725 1397 2HG GLN 178 1HG GLN 178 -10.300 -6.249 -6.249 1398 1HE2 GLN 178 2HE2 GLN 178 -12.166 -8.835 -8.835 1399 2HE2 GLN 178 1HE2 GLN 178 -10.679 -9.232 -9.232 1400 H ALA 179 H ALA 179 -8.431 -6.848 -6.848 1401 HA ALA 179 HA ALA 179 -10.351 -8.982 -8.982 1402 1HB ALA 179 1HB ALA 179 -8.877 -7.558 -7.558 1403 2HB ALA 179 3HB ALA 179 -10.218 -8.655 -8.655 1404 3HB ALA 179 2HB ALA 179 -10.469 -7.132 -7.132 1405 H PHE 180 H PHE 180 -7.005 -8.670 -8.670 1406 HA PHE 180 HA PHE 180 -6.959 -11.632 -11.632 1407 1HB PHE 180 2HB PHE 180 -5.270 -11.218 -11.218 1408 2HB PHE 180 1HB PHE 180 -6.815 -10.475 -10.475 1409 HD1 PHE 180 HD1 PHE 180 -3.741 -9.292 -9.292 1410 HD2 PHE 180 HD2 PHE 180 -6.574 -8.546 -8.546 1411 HE1 PHE 180 HE1 PHE 180 -2.690 -7.139 -7.139 1412 HE2 PHE 180 HE2 PHE 180 -5.538 -6.410 -6.410 1413 HZ PHE 180 HZ PHE 180 -3.557 -5.716 -5.716 Start of MODEL 18 1 1H SER 1 3H SER 1 7.458 -10.985 -10.985 2 2H SER 1 2H SER 1 8.650 -11.440 -11.440 3 3H SER 1 1H SER 1 8.439 -9.811 -9.811 4 HA SER 1 HA SER 1 9.924 -10.034 -10.034 5 1HB SER 1 2HB SER 1 10.356 -13.011 -13.011 6 2HB SER 1 1HB SER 1 11.482 -11.691 -11.691 7 HG SER 1 HG SER 1 11.200 -12.238 -12.238 8 HA PRO 2 HA PRO 2 6.712 -11.791 -11.791 9 1HB PRO 2 2HB PRO 2 5.128 -13.877 -13.877 10 2HB PRO 2 1HB PRO 2 6.784 -14.176 -14.176 11 1HG PRO 2 2HG PRO 2 5.676 -14.207 -14.207 12 2HG PRO 2 1HG PRO 2 6.827 -15.315 -15.315 13 1HD PRO 2 2HD PRO 2 7.520 -13.054 -13.054 14 2HD PRO 2 1HD PRO 2 8.657 -13.907 -13.907 15 H LEU 3 H LEU 3 4.144 -11.820 -11.820 16 HA LEU 3 HA LEU 3 3.407 -10.042 -10.042 17 1HB LEU 3 2HB LEU 3 2.635 -10.076 -10.076 18 2HB LEU 3 1HB LEU 3 1.503 -9.433 -9.433 19 HG LEU 3 HG LEU 3 3.076 -7.691 -7.691 20 1HD1 LEU 3 1HD1 LEU 3 5.046 -8.926 -8.926 21 2HD1 LEU 3 3HD1 LEU 3 5.277 -7.411 -7.411 22 3HD1 LEU 3 2HD1 LEU 3 5.228 -8.908 -8.908 23 1HD2 LEU 3 2HD2 LEU 3 2.924 -7.927 -7.927 24 2HD2 LEU 3 1HD2 LEU 3 1.684 -7.255 -7.255 25 3HD2 LEU 3 3HD2 LEU 3 3.227 -6.442 -6.442 26 HA PRO 4 HA PRO 4 0.530 -13.504 -13.504 27 1HB PRO 4 2HB PRO 4 -0.290 -13.039 -13.039 28 2HB PRO 4 1HB PRO 4 1.377 -13.554 -13.554 29 1HG PRO 4 2HG PRO 4 0.318 -10.699 -10.699 30 2HG PRO 4 1HG PRO 4 1.699 -11.472 -11.472 31 1HD PRO 4 2HD PRO 4 1.993 -9.865 -9.865 32 2HD PRO 4 1HD PRO 4 3.118 -11.199 -11.199 33 H ILE 5 H ILE 5 -1.804 -13.632 -13.632 34 HA ILE 5 HA ILE 5 -3.497 -12.346 -12.346 35 HB ILE 5 HB ILE 5 -4.319 -12.875 -12.875 36 1HG1 ILE 5 2HG1 ILE 5 -4.171 -14.849 -14.849 37 2HG1 ILE 5 1HG1 ILE 5 -3.117 -14.894 -14.894 38 1HG2 ILE 5 3HG2 ILE 5 -6.009 -11.705 -11.705 39 2HG2 ILE 5 2HG2 ILE 5 -5.903 -13.001 -13.001 40 3HG2 ILE 5 1HG2 ILE 5 -6.557 -13.302 -13.302 41 1HD1 ILE 5 3HD1 ILE 5 -5.065 -15.287 -15.287 42 2HD1 ILE 5 2HD1 ILE 5 -6.128 -15.326 -15.326 43 3HD1 ILE 5 1HD1 ILE 5 -4.887 -16.542 -16.542 44 H THR 6 H THR 6 -3.045 -11.095 -11.095 45 HA THR 6 HA THR 6 -3.754 -8.411 -8.411 46 HB THR 6 HB THR 6 -4.626 -8.165 -8.165 47 HG1 THR 6 HG1 THR 6 -4.263 -10.057 -10.057 48 1HG2 THR 6 1HG2 THR 6 -6.045 -10.125 -10.125 49 2HG2 THR 6 3HG2 THR 6 -6.804 -9.230 -9.230 50 3HG2 THR 6 2HG2 THR 6 -6.208 -8.386 -8.386 51 HA PRO 7 HA PRO 7 0.238 -7.332 -7.332 52 1HB PRO 7 2HB PRO 7 0.192 -4.646 -4.646 53 2HB PRO 7 1HB PRO 7 0.201 -5.702 -5.702 54 1HG PRO 7 2HG PRO 7 -2.230 -4.454 -4.454 55 2HG PRO 7 1HG PRO 7 -1.815 -4.342 -4.342 56 1HD PRO 7 2HD PRO 7 -3.570 -6.254 -6.254 57 2HD PRO 7 1HD PRO 7 -2.420 -6.630 -6.630 58 H VAL 8 H VAL 8 -1.322 -8.153 -8.153 59 HA VAL 8 HA VAL 8 -1.072 -6.038 -6.038 60 HB VAL 8 HB VAL 8 -3.445 -6.158 -6.158 61 1HG1 VAL 8 2HG1 VAL 8 -3.594 -8.588 -8.588 62 2HG1 VAL 8 1HG1 VAL 8 -3.561 -8.938 -8.938 63 3HG1 VAL 8 3HG1 VAL 8 -4.904 -8.047 -8.047 64 1HG2 VAL 8 1HG2 VAL 8 -2.910 -6.879 -6.879 65 2HG2 VAL 8 3HG2 VAL 8 -2.941 -5.278 -5.278 66 3HG2 VAL 8 2HG2 VAL 8 -4.426 -6.204 -6.204 67 H ASN 9 H ASN 9 0.857 -7.511 -7.511 68 HA ASN 9 HA ASN 9 0.420 -9.977 -9.977 69 1HB ASN 9 2HB ASN 9 3.104 -8.960 -8.960 70 2HB ASN 9 1HB ASN 9 2.694 -10.601 -10.601 71 1HD2 ASN 9 2HD2 ASN 9 0.925 -10.149 -10.149 72 2HD2 ASN 9 1HD2 ASN 9 0.259 -9.629 -9.629 73 H ALA 10 H ALA 10 0.005 -9.173 -9.173 74 HA ALA 10 HA ALA 10 1.749 -7.082 -7.082 75 1HB ALA 10 2HB ALA 10 -0.967 -8.227 -8.227 76 2HB ALA 10 1HB ALA 10 -0.111 -6.894 -6.894 77 3HB ALA 10 3HB ALA 10 -0.751 -6.713 -6.713 78 H THR 11 H THR 11 0.093 -9.559 -9.559 79 HA THR 11 HA THR 11 2.774 -10.757 -10.757 80 HB THR 11 HB THR 11 0.798 -10.683 -10.683 81 HG1 THR 11 HG1 THR 11 0.792 -8.469 -8.469 82 1HG2 THR 11 1HG2 THR 11 3.763 -9.957 -9.957 83 2HG2 THR 11 3HG2 THR 11 2.823 -10.126 -10.126 84 3HG2 THR 11 2HG2 THR 11 3.136 -11.533 -11.533 85 H CYS 12 H CYS 12 -0.427 -11.397 -11.397 86 HA CYS 12 HA CYS 12 -0.653 -14.132 -14.132 87 1HB CYS 12 2HB CYS 12 -2.383 -12.174 -12.174 88 2HB CYS 12 1HB CYS 12 -2.066 -12.975 -12.975 89 H ALA 13 H ALA 13 1.576 -13.706 -13.706 90 HA ALA 13 HA ALA 13 1.867 -15.485 -15.485 91 1HB ALA 13 2HB ALA 13 3.749 -13.312 -13.312 92 2HB ALA 13 1HB ALA 13 4.083 -14.244 -14.244 93 3HB ALA 13 3HB ALA 13 2.815 -13.030 -13.030 94 H ILE 14 H ILE 14 2.961 -14.021 -14.021 95 HA ILE 14 HA ILE 14 3.585 -16.741 -16.741 96 HB ILE 14 HB ILE 14 4.301 -13.862 -13.862 97 1HG1 ILE 14 2HG1 ILE 14 6.510 -14.364 -14.364 98 2HG1 ILE 14 1HG1 ILE 14 6.335 -16.090 -16.090 99 1HG2 ILE 14 1HG2 ILE 14 5.042 -16.513 -16.513 100 2HG2 ILE 14 3HG2 ILE 14 5.580 -14.905 -14.905 101 3HG2 ILE 14 2HG2 ILE 14 3.902 -15.346 -15.346 102 1HD1 ILE 14 2HD1 ILE 14 5.067 -14.493 -14.493 103 2HD1 ILE 14 1HD1 ILE 14 6.319 -15.637 -15.637 104 3HD1 ILE 14 3HD1 ILE 14 4.863 -16.235 -16.235 105 H ARG 15 H ARG 15 1.550 -16.663 -16.663 106 HA ARG 15 HA ARG 15 -0.710 -15.611 -15.611 107 1HB ARG 15 2HB ARG 15 -0.620 -16.228 -16.228 108 2HB ARG 15 1HB ARG 15 -0.523 -17.873 -17.873 109 1HG ARG 15 2HG ARG 15 -2.786 -17.746 -17.746 110 2HG ARG 15 1HG ARG 15 -2.867 -16.049 -16.049 111 1HD ARG 15 2HD ARG 15 -3.931 -17.507 -17.507 112 2HD ARG 15 1HD ARG 15 -2.670 -16.391 -16.391 113 HE ARG 15 HE ARG 15 -1.410 -18.212 -18.212 114 1HH1 ARG 15 2HH1 ARG 15 -3.531 -19.139 -19.139 115 2HH1 ARG 15 1HH1 ARG 15 -3.049 -20.792 -20.792 116 1HH2 ARG 15 1HH2 ARG 15 -0.700 -20.352 -20.352 117 2HH2 ARG 15 2HH2 ARG 15 -1.337 -21.466 -21.466 118 H HIS 16 H HIS 16 1.561 -17.809 -17.809 119 HA HIS 16 HA HIS 16 0.112 -19.662 -19.662 120 1HB HIS 16 2HB HIS 16 2.471 -20.133 -20.133 121 2HB HIS 16 1HB HIS 16 2.120 -21.257 -21.257 122 HD1 HIS 16 HD1 HIS 16 1.636 -22.816 -22.816 123 HD2 HIS 16 HD2 HIS 16 -1.212 -19.980 -19.980 124 HE1 HIS 16 HE1 HIS 16 -0.361 -23.497 -23.497 125 HA PRO 17 HA PRO 17 1.743 -18.012 -18.012 126 1HB PRO 17 2HB PRO 17 2.154 -19.983 -19.983 127 2HB PRO 17 1HB PRO 17 0.561 -19.603 -19.603 128 1HG PRO 17 2HG PRO 17 2.598 -21.716 -21.716 129 2HG PRO 17 1HG PRO 17 0.887 -22.002 -22.002 130 1HD PRO 17 2HD PRO 17 1.881 -21.628 -21.628 131 2HD PRO 17 1HD PRO 17 0.265 -21.019 -21.019 132 H CYS 18 H CYS 18 3.759 -17.282 -17.282 133 HA CYS 18 HA CYS 18 6.293 -18.304 -18.304 134 1HB CYS 18 2HB CYS 18 7.154 -16.039 -16.039 135 2HB CYS 18 1HB CYS 18 5.818 -16.063 -16.063 136 H HIS 19 H HIS 19 4.781 -16.590 -16.590 137 HA HIS 19 HA HIS 19 6.946 -17.489 -17.489 138 1HB HIS 19 2HB HIS 19 4.607 -15.611 -15.611 139 2HB HIS 19 1HB HIS 19 6.020 -15.833 -15.833 140 HD1 HIS 19 HD1 HIS 19 5.520 -13.050 -13.050 141 HD2 HIS 19 HD2 HIS 19 7.876 -15.687 -15.687 142 HE1 HIS 19 HE1 HIS 19 6.988 -11.702 -11.702 143 H GLY 20 H GLY 20 5.910 -17.732 -17.732 144 1HA GLY 20 2HA GLY 20 3.913 -19.978 -19.978 145 2HA GLY 20 1HA GLY 20 5.233 -19.979 -19.979 146 H ASN 21 H ASN 21 5.156 -18.231 -18.231 147 HA ASN 21 HA ASN 21 2.806 -18.065 -18.065 148 1HB ASN 21 2HB ASN 21 5.111 -16.071 -16.071 149 2HB ASN 21 1HB ASN 21 3.744 -15.730 -15.730 150 1HD2 ASN 21 2HD2 ASN 21 5.211 -19.193 -19.193 151 2HD2 ASN 21 1HD2 ASN 21 4.305 -19.145 -19.145 152 H LEU 22 H LEU 22 3.792 -15.952 -15.952 153 HA LEU 22 HA LEU 22 2.773 -13.937 -13.937 154 1HB LEU 22 2HB LEU 22 2.773 -16.076 -16.076 155 2HB LEU 22 1HB LEU 22 1.080 -16.216 -16.216 156 HG LEU 22 HG LEU 22 2.335 -13.762 -13.762 157 1HD1 LEU 22 2HD1 LEU 22 0.818 -16.101 -16.101 158 2HD1 LEU 22 1HD1 LEU 22 1.309 -14.639 -14.639 159 3HD1 LEU 22 3HD1 LEU 22 2.518 -15.742 -15.742 160 1HD2 LEU 22 1HD2 LEU 22 -0.603 -14.589 -14.589 161 2HD2 LEU 22 3HD2 LEU 22 0.149 -13.242 -13.242 162 3HD2 LEU 22 2HD2 LEU 22 -0.035 -13.194 -13.194 163 H MET 23 H MET 23 0.027 -16.067 -16.067 164 HA MET 23 HA MET 23 -1.975 -14.104 -14.104 165 1HB MET 23 2HB MET 23 -2.445 -16.573 -16.573 166 2HB MET 23 1HB MET 23 -1.764 -16.734 -16.734 167 1HG MET 23 2HG MET 23 -3.531 -15.209 -15.209 168 2HG MET 23 1HG MET 23 -4.202 -15.067 -15.067 169 1HE MET 23 2HE MET 23 -4.790 -17.238 -17.238 170 2HE MET 23 1HE MET 23 -6.048 -18.224 -18.224 171 3HE MET 23 3HE MET 23 -6.253 -16.476 -16.476 172 H ASN 24 H ASN 24 0.045 -15.388 -15.388 173 HA ASN 24 HA ASN 24 -1.014 -13.244 -13.244 174 1HB ASN 24 2HB ASN 24 -0.847 -15.574 -15.574 175 2HB ASN 24 1HB ASN 24 0.891 -15.562 -15.562 176 1HD2 ASN 24 2HD2 ASN 24 1.326 -14.142 -14.142 177 2HD2 ASN 24 1HD2 ASN 24 1.884 -15.276 -15.276 178 H GLN 25 H GLN 25 0.952 -13.116 -13.116 179 HA GLN 25 HA GLN 25 3.315 -11.887 -11.887 180 1HB GLN 25 2HB GLN 25 3.598 -13.300 -13.300 181 2HB GLN 25 1HB GLN 25 2.772 -12.023 -12.023 182 1HG GLN 25 2HG GLN 25 5.075 -11.048 -11.048 183 2HG GLN 25 1HG GLN 25 5.549 -12.165 -12.165 184 1HE2 GLN 25 2HE2 GLN 25 3.639 -9.028 -9.028 185 2HE2 GLN 25 1HE2 GLN 25 2.776 -10.001 -10.001 186 H ILE 26 H ILE 26 0.825 -11.138 -11.138 187 HA ILE 26 HA ILE 26 1.074 -8.321 -8.321 188 HB ILE 26 HB ILE 26 -1.402 -8.301 -8.301 189 1HG1 ILE 26 2HG1 ILE 26 -1.027 -11.339 -11.339 190 2HG1 ILE 26 1HG1 ILE 26 -2.169 -10.414 -10.414 191 1HG2 ILE 26 1HG2 ILE 26 0.487 -8.280 -8.280 192 2HG2 ILE 26 3HG2 ILE 26 0.581 -10.035 -10.035 193 3HG2 ILE 26 2HG2 ILE 26 -0.821 -9.225 -9.225 194 1HD1 ILE 26 1HD1 ILE 26 -3.284 -9.778 -9.778 195 2HD1 ILE 26 3HD1 ILE 26 -2.181 -10.866 -10.866 196 3HD1 ILE 26 2HD1 ILE 26 -3.315 -11.501 -11.501 197 H LYS 27 H LYS 27 -0.579 -10.519 -10.519 198 HA LYS 27 HA LYS 27 -2.081 -8.621 -8.621 199 1HB LYS 27 2HB LYS 27 -2.626 -10.991 -10.991 200 2HB LYS 27 1HB LYS 27 -1.048 -11.426 -11.426 201 1HG LYS 27 2HG LYS 27 -3.181 -11.310 -11.310 202 2HG LYS 27 1HG LYS 27 -1.528 -11.156 -11.156 203 1HD LYS 27 2HD LYS 27 -1.707 -8.869 -8.869 204 2HD LYS 27 1HD LYS 27 -2.923 -8.584 -8.584 205 1HE LYS 27 2HE LYS 27 -3.472 -10.140 -10.140 206 2HE LYS 27 1HE LYS 27 -3.752 -8.411 -8.411 207 1HZ LYS 27 2HZ LYS 27 -4.786 -9.648 -9.648 208 2HZ LYS 27 1HZ LYS 27 -5.461 -10.493 -10.493 209 3HZ LYS 27 3HZ LYS 27 -5.553 -8.768 -8.768 210 H ASN 28 H ASN 28 0.809 -10.404 -10.404 211 HA ASN 28 HA ASN 28 1.509 -8.900 -8.900 212 1HB ASN 28 2HB ASN 28 2.280 -11.253 -11.253 213 2HB ASN 28 1HB ASN 28 3.351 -10.531 -10.531 214 1HD2 ASN 28 2HD2 ASN 28 4.334 -10.235 -10.235 215 2HD2 ASN 28 1HD2 ASN 28 2.822 -10.881 -10.881 216 H GLN 29 H GLN 29 2.216 -8.404 -8.404 217 HA GLN 29 HA GLN 29 4.356 -6.484 -6.484 218 1HB GLN 29 2HB GLN 29 3.497 -7.904 -7.904 219 2HB GLN 29 1HB GLN 29 2.862 -6.314 -6.314 220 1HG GLN 29 2HG GLN 29 4.967 -6.014 -6.014 221 2HG GLN 29 1HG GLN 29 5.429 -5.652 -5.652 222 1HE2 GLN 29 2HE2 GLN 29 6.942 -8.935 -8.935 223 2HE2 GLN 29 1HE2 GLN 29 6.002 -7.820 -7.820 224 H LEU 30 H LEU 30 0.937 -6.337 -6.337 225 HA LEU 30 HA LEU 30 0.927 -3.510 -3.510 226 1HB LEU 30 2HB LEU 30 -0.795 -4.920 -4.920 227 2HB LEU 30 1HB LEU 30 -1.460 -5.389 -5.389 228 HG LEU 30 HG LEU 30 -2.051 -3.001 -3.001 229 1HD1 LEU 30 2HD1 LEU 30 -0.746 -2.357 -2.357 230 2HD1 LEU 30 1HD1 LEU 30 -1.598 -1.232 -1.232 231 3HD1 LEU 30 3HD1 LEU 30 -0.112 -1.912 -1.912 232 1HD2 LEU 30 1HD2 LEU 30 -2.799 -3.717 -3.717 233 2HD2 LEU 30 3HD2 LEU 30 -3.641 -4.269 -4.269 234 3HD2 LEU 30 2HD2 LEU 30 -3.601 -2.553 -2.553 235 H ALA 31 H ALA 31 -0.033 -5.734 -5.734 236 HA ALA 31 HA ALA 31 -1.101 -3.978 -3.978 237 1HB ALA 31 2HB ALA 31 1.119 -5.925 -5.925 238 2HB ALA 31 1HB ALA 31 0.010 -5.233 -5.233 239 3HB ALA 31 3HB ALA 31 -0.618 -6.293 -6.293 240 H GLN 32 H GLN 32 2.281 -4.416 -4.416 241 HA GLN 32 HA GLN 32 3.421 -2.522 -2.522 242 1HB GLN 32 2HB GLN 32 4.182 -3.691 -3.691 243 2HB GLN 32 1HB GLN 32 5.081 -2.284 -2.284 244 1HG GLN 32 2HG GLN 32 4.696 -4.659 -4.659 245 2HG GLN 32 1HG GLN 32 6.003 -4.630 -4.630 246 1HE2 GLN 32 2HE2 GLN 32 7.881 -2.707 -2.707 247 2HE2 GLN 32 1HE2 GLN 32 7.845 -4.065 -4.065 248 H LEU 33 H LEU 33 2.103 -2.017 -2.017 249 HA LEU 33 HA LEU 33 2.676 0.857 0.857 250 1HB LEU 33 2HB LEU 33 0.688 -0.381 -0.381 251 2HB LEU 33 1HB LEU 33 1.782 0.927 0.927 252 HG LEU 33 HG LEU 33 2.636 -2.003 -2.003 253 1HD1 LEU 33 3HD1 LEU 33 1.650 -1.287 -1.287 254 2HD1 LEU 33 2HD1 LEU 33 2.903 -0.066 -0.066 255 3HD1 LEU 33 1HD1 LEU 33 3.314 -1.786 -1.786 256 1HD2 LEU 33 1HD2 LEU 33 4.326 -0.451 -0.451 257 2HD2 LEU 33 3HD2 LEU 33 4.931 -1.189 -1.189 258 3HD2 LEU 33 2HD2 LEU 33 4.384 0.477 0.477 259 H ASN 34 H ASN 34 -0.018 -1.226 -1.226 260 HA ASN 34 HA ASN 34 -2.097 0.743 0.743 261 1HB ASN 34 2HB ASN 34 -2.359 -1.797 -1.797 262 2HB ASN 34 1HB ASN 34 -1.633 -1.650 -1.650 263 1HD2 ASN 34 2HD2 ASN 34 -4.996 0.480 0.480 264 2HD2 ASN 34 1HD2 ASN 34 -3.842 0.908 0.908 265 H GLY 35 H GLY 35 -0.056 -0.618 -0.618 266 1HA GLY 35 2HA GLY 35 -0.397 1.058 1.058 267 2HA GLY 35 1HA GLY 35 1.204 0.418 0.418 268 H SER 36 H SER 36 1.776 1.735 1.735 269 HA SER 36 HA SER 36 2.379 4.399 4.399 270 1HB SER 36 2HB SER 36 3.570 4.602 4.602 271 2HB SER 36 1HB SER 36 4.065 3.221 3.221 272 HG SER 36 HG SER 36 2.540 3.274 3.274 273 H ALA 37 H ALA 37 0.128 3.054 3.054 274 HA ALA 37 HA ALA 37 -0.841 5.106 5.106 275 1HB ALA 37 1HB ALA 37 -1.860 2.719 2.719 276 2HB ALA 37 3HB ALA 37 -2.690 3.268 3.268 277 3HB ALA 37 2HB ALA 37 -3.003 4.038 4.038 278 H ASN 38 H ASN 38 -1.277 4.430 4.430 279 HA ASN 38 HA ASN 38 -2.909 6.904 6.904 280 1HB ASN 38 2HB ASN 38 -3.404 4.666 4.666 281 2HB ASN 38 1HB ASN 38 -2.026 5.034 5.034 282 1HD2 ASN 38 2HD2 ASN 38 -3.960 8.184 8.184 283 2HD2 ASN 38 1HD2 ASN 38 -2.531 8.055 8.055 284 H ALA 39 H ALA 39 0.272 5.594 5.594 285 HA ALA 39 HA ALA 39 0.919 8.169 8.169 286 1HB ALA 39 1HB ALA 39 1.875 5.964 5.964 287 2HB ALA 39 3HB ALA 39 2.701 5.795 5.795 288 3HB ALA 39 2HB ALA 39 3.149 7.096 7.096 289 H LEU 40 H LEU 40 2.521 6.534 6.534 290 HA LEU 40 HA LEU 40 4.047 8.546 8.546 291 1HB LEU 40 2HB LEU 40 3.997 6.448 6.448 292 2HB LEU 40 1HB LEU 40 2.273 6.487 6.487 293 HG LEU 40 HG LEU 40 3.899 6.913 6.913 294 1HD1 LEU 40 2HD1 LEU 40 1.370 8.567 8.567 295 2HD1 LEU 40 1HD1 LEU 40 2.154 8.250 8.250 296 3HD1 LEU 40 3HD1 LEU 40 1.512 6.918 6.918 297 1HD2 LEU 40 3HD2 LEU 40 3.595 9.697 9.697 298 2HD2 LEU 40 2HD2 LEU 40 5.126 8.901 8.901 299 3HD2 LEU 40 1HD2 LEU 40 4.083 9.315 9.315 300 H PHE 41 H PHE 41 0.607 8.044 8.044 301 HA PHE 41 HA PHE 41 -0.076 10.283 10.283 302 1HB PHE 41 2HB PHE 41 -1.831 8.801 8.801 303 2HB PHE 41 1HB PHE 41 -1.554 9.294 9.294 304 HD1 PHE 41 HD2 PHE 41 -1.483 11.936 11.936 305 HD2 PHE 41 HD1 PHE 41 -3.925 9.836 9.836 306 HE1 PHE 41 HE2 PHE 41 -3.230 13.613 13.613 307 HE2 PHE 41 HE1 PHE 41 -5.656 11.540 11.540 308 HZ PHE 41 HZ PHE 41 -5.249 13.452 13.452 309 H ILE 42 H ILE 42 -0.020 10.439 10.439 310 HA ILE 42 HA ILE 42 -0.237 13.294 13.294 311 HB ILE 42 HB ILE 42 0.336 11.095 11.095 312 1HG1 ILE 42 2HG1 ILE 42 -1.614 12.159 12.159 313 2HG1 ILE 42 1HG1 ILE 42 -1.701 13.375 13.375 314 1HG2 ILE 42 1HG2 ILE 42 0.716 14.024 14.024 315 2HG2 ILE 42 3HG2 ILE 42 0.645 12.714 12.714 316 3HG2 ILE 42 2HG2 ILE 42 1.968 12.785 12.785 317 1HD1 ILE 42 1HD1 ILE 42 -2.114 11.552 11.552 318 2HD1 ILE 42 3HD1 ILE 42 -2.066 10.382 10.382 319 3HD1 ILE 42 2HD1 ILE 42 -3.334 11.588 11.588 320 H SER 43 H SER 43 2.430 11.122 11.122 321 HA SER 43 HA SER 43 4.419 13.190 13.190 322 1HB SER 43 2HB SER 43 4.984 10.477 10.477 323 2HB SER 43 1HB SER 43 6.067 11.384 11.384 324 HG SER 43 HG SER 43 3.752 10.972 10.972 325 H TYR 44 H TYR 44 2.711 12.233 12.233 326 HA TYR 44 HA TYR 44 4.574 13.179 13.179 327 1HB TYR 44 2HB TYR 44 3.561 11.320 11.320 328 2HB TYR 44 1HB TYR 44 2.110 11.417 11.417 329 HD1 TYR 44 HD1 TYR 44 0.303 12.969 12.969 330 HD2 TYR 44 HD2 TYR 44 3.587 12.215 12.215 331 HE1 TYR 44 HE1 TYR 44 -0.765 13.982 13.982 332 HE2 TYR 44 HE2 TYR 44 2.540 13.244 13.244 333 HH TYR 44 HH TYR 44 0.598 15.218 15.218 334 H TYR 45 H TYR 45 1.194 13.919 13.919 335 HA TYR 45 HA TYR 45 1.315 16.300 16.300 336 1HB TYR 45 2HB TYR 45 -0.854 16.978 16.978 337 2HB TYR 45 1HB TYR 45 -0.909 15.246 15.246 338 HD1 TYR 45 HD2 TYR 45 -0.216 17.889 17.889 339 HD2 TYR 45 HD1 TYR 45 -1.755 14.002 14.002 340 HE1 TYR 45 HE2 TYR 45 -1.016 17.749 17.749 341 HE2 TYR 45 HE1 TYR 45 -2.577 13.877 13.877 342 HH TYR 45 HH TYR 45 -1.908 16.449 16.449 343 H THR 46 H THR 46 2.248 15.766 15.766 344 HA THR 46 HA THR 46 2.131 18.502 18.502 345 HB THR 46 HB THR 46 4.202 17.854 17.854 346 HG1 THR 46 HG1 THR 46 5.150 16.008 16.008 347 1HG2 THR 46 1HG2 THR 46 1.702 16.125 16.125 348 2HG2 THR 46 3HG2 THR 46 2.897 16.249 16.249 349 3HG2 THR 46 2HG2 THR 46 1.955 17.653 17.653 350 H ALA 47 H ALA 47 4.496 16.744 16.744 351 HA ALA 47 HA ALA 47 6.489 18.732 18.732 352 1HB ALA 47 3HB ALA 47 5.602 16.738 16.738 353 2HB ALA 47 2HB ALA 47 7.121 17.608 17.608 354 3HB ALA 47 1HB ALA 47 6.791 16.405 16.405 355 H GLN 48 H GLN 48 3.304 18.618 18.618 356 HA GLN 48 HA GLN 48 3.923 20.575 20.575 357 1HB GLN 48 2HB GLN 48 1.212 20.042 20.042 358 2HB GLN 48 1HB GLN 48 1.501 20.664 20.664 359 1HG GLN 48 2HG GLN 48 1.728 17.891 17.891 360 2HG GLN 48 1HG GLN 48 1.023 18.349 18.349 361 1HE2 GLN 48 2HE2 GLN 48 4.734 17.000 17.000 362 2HE2 GLN 48 1HE2 GLN 48 3.631 16.695 16.695 363 H GLY 49 H GLY 49 2.833 20.518 20.518 364 1HA GLY 49 2HA GLY 49 3.368 22.275 22.275 365 2HA GLY 49 1HA GLY 49 3.241 23.454 23.454 366 H GLU 50 H GLU 50 1.214 24.144 24.144 367 HA GLU 50 HA GLU 50 -1.067 23.273 23.273 368 1HB GLU 50 2HB GLU 50 -1.610 25.914 25.914 369 2HB GLU 50 1HB GLU 50 -0.544 25.278 25.278 370 1HG GLU 50 2HG GLU 50 1.428 25.844 25.844 371 2HG GLU 50 1HG GLU 50 0.287 26.554 26.554 372 HA PRO 51 HA PRO 51 -3.004 24.448 24.448 373 1HB PRO 51 2HB PRO 51 -5.541 25.022 25.022 374 2HB PRO 51 1HB PRO 51 -4.298 26.142 26.142 375 1HG PRO 51 2HG PRO 51 -5.873 24.058 24.058 376 2HG PRO 51 1HG PRO 51 -5.409 25.678 25.678 377 1HD PRO 51 2HD PRO 51 -3.943 23.250 23.250 378 2HD PRO 51 1HD PRO 51 -3.359 24.903 24.903 379 H PHE 52 H PHE 52 -2.415 21.990 21.990 380 HA PHE 52 HA PHE 52 -4.600 20.115 20.115 381 1HB PHE 52 2HB PHE 52 -1.563 19.766 19.766 382 2HB PHE 52 1HB PHE 52 -2.702 18.425 18.425 383 HD1 PHE 52 HD1 PHE 52 -4.688 18.505 18.505 384 HD2 PHE 52 HD2 PHE 52 -1.267 20.948 20.948 385 HE1 PHE 52 HE1 PHE 52 -5.390 18.780 18.780 386 HE2 PHE 52 HE2 PHE 52 -1.983 21.232 21.232 387 HZ PHE 52 HZ PHE 52 -4.030 20.193 20.193 388 HA PRO 53 HA PRO 53 -2.226 18.754 18.754 389 1HB PRO 53 2HB PRO 53 -1.737 21.280 21.280 390 2HB PRO 53 1HB PRO 53 -0.533 20.124 20.124 391 1HG PRO 53 2HG PRO 53 -1.735 22.492 22.492 392 2HG PRO 53 1HG PRO 53 -0.046 21.989 21.989 393 1HD PRO 53 2HD PRO 53 -1.391 21.299 21.299 394 2HD PRO 53 1HD PRO 53 -0.514 19.994 19.994 395 H ASN 54 H ASN 54 -4.397 21.230 21.230 396 HA ASN 54 HA ASN 54 -6.141 20.333 20.333 397 1HB ASN 54 2HB ASN 54 -5.822 23.158 23.158 398 2HB ASN 54 1HB ASN 54 -7.063 22.699 22.699 399 1HD2 ASN 54 2HD2 ASN 54 -3.776 21.943 21.943 400 2HD2 ASN 54 1HD2 ASN 54 -4.451 20.818 20.818 401 H ASN 55 H ASN 55 -6.021 20.433 20.433 402 HA ASN 55 HA ASN 55 -8.989 20.004 20.004 403 1HB ASN 55 2HB ASN 55 -7.345 21.654 21.654 404 2HB ASN 55 1HB ASN 55 -9.090 21.408 21.408 405 1HD2 ASN 55 2HD2 ASN 55 -7.535 24.272 24.272 406 2HD2 ASN 55 1HD2 ASN 55 -6.524 23.221 23.221 407 H LEU 56 H LEU 56 -6.322 18.574 18.574 408 HA LEU 56 HA LEU 56 -6.006 17.362 17.362 409 1HB LEU 56 2HB LEU 56 -4.772 15.650 15.650 410 2HB LEU 56 1HB LEU 56 -4.639 16.981 16.981 411 HG LEU 56 HG LEU 56 -6.831 15.891 15.891 412 1HD1 LEU 56 1HD1 LEU 56 -7.044 14.128 14.128 413 2HD1 LEU 56 3HD1 LEU 56 -5.465 13.584 13.584 414 3HD1 LEU 56 2HD1 LEU 56 -6.829 13.451 13.451 415 1HD2 LEU 56 1HD2 LEU 56 -4.580 15.976 15.976 416 2HD2 LEU 56 3HD2 LEU 56 -5.431 14.478 14.478 417 3HD2 LEU 56 2HD2 LEU 56 -4.154 14.499 14.499 418 H ASP 57 H ASP 57 -8.256 17.035 17.035 419 HA ASP 57 HA ASP 57 -9.585 14.758 14.758 420 1HB ASP 57 2HB ASP 57 -10.803 17.303 17.303 421 2HB ASP 57 1HB ASP 57 -11.404 15.669 15.669 422 H LYS 58 H LYS 58 -10.311 18.027 18.027 423 HA LYS 58 HA LYS 58 -12.353 16.716 16.716 424 1HB LYS 58 2HB LYS 58 -12.115 19.608 19.608 425 2HB LYS 58 1HB LYS 58 -13.333 19.000 19.000 426 1HG LYS 58 2HG LYS 58 -14.117 17.371 17.371 427 2HG LYS 58 1HG LYS 58 -12.899 17.977 17.977 428 1HD LYS 58 2HD LYS 58 -13.932 20.235 20.235 429 2HD LYS 58 1HD LYS 58 -15.178 19.609 19.609 430 1HE LYS 58 2HE LYS 58 -15.920 18.002 18.002 431 2HE LYS 58 1HE LYS 58 -14.655 18.575 18.575 432 1HZ LYS 58 1HZ LYS 58 -16.132 20.799 20.799 433 2HZ LYS 58 3HZ LYS 58 -17.222 19.629 19.629 434 3HZ LYS 58 2HZ LYS 58 -15.985 20.203 20.203 435 H LEU 59 H LEU 59 -9.326 17.639 17.639 436 HA LEU 59 HA LEU 59 -9.381 18.528 18.528 437 1HB LEU 59 2HB LEU 59 -7.109 18.889 18.889 438 2HB LEU 59 1HB LEU 59 -7.315 19.679 19.679 439 HG LEU 59 HG LEU 59 -9.176 20.078 20.078 440 1HD1 LEU 59 3HD1 LEU 59 -6.953 21.792 21.792 441 2HD1 LEU 59 2HD1 LEU 59 -8.036 22.226 22.226 442 3HD1 LEU 59 1HD1 LEU 59 -6.917 20.869 20.869 443 1HD2 LEU 59 2HD2 LEU 59 -9.032 21.575 21.575 444 2HD2 LEU 59 1HD2 LEU 59 -10.293 20.426 20.426 445 3HD2 LEU 59 3HD2 LEU 59 -10.080 21.925 21.925 446 H CYS 60 H CYS 60 -8.180 16.248 16.248 447 HA CYS 60 HA CYS 60 -6.785 14.735 14.735 448 1HB CYS 60 2HB CYS 60 -5.880 15.036 15.036 449 2HB CYS 60 1HB CYS 60 -5.161 14.076 14.076 450 H GLY 61 H GLY 61 -9.623 14.161 14.161 451 1HA GLY 61 2HA GLY 61 -9.105 11.548 11.548 452 2HA GLY 61 1HA GLY 61 -10.230 12.661 12.661 453 HA PRO 62 HA PRO 62 -12.931 11.138 11.138 454 1HB PRO 62 2HB PRO 62 -12.219 10.631 10.631 455 2HB PRO 62 1HB PRO 62 -12.508 12.276 12.276 456 1HG PRO 62 2HG PRO 62 -9.816 10.904 10.904 457 2HG PRO 62 1HG PRO 62 -10.320 12.551 12.551 458 1HD PRO 62 2HD PRO 62 -8.928 11.718 11.718 459 2HD PRO 62 1HD PRO 62 -9.911 13.197 13.197 460 H ASN 63 H ASN 63 -13.701 9.431 9.431 461 HA ASN 63 HA ASN 63 -12.361 6.825 6.825 462 1HB ASN 63 2HB ASN 63 -15.344 7.142 7.142 463 2HB ASN 63 1HB ASN 63 -14.236 5.894 5.894 464 1HD2 ASN 63 2HD2 ASN 63 -13.443 7.799 7.799 465 2HD2 ASN 63 1HD2 ASN 63 -13.337 6.269 6.269 466 H VAL 64 H VAL 64 -15.246 8.334 8.334 467 HA VAL 64 HA VAL 64 -15.033 6.687 6.687 468 HB VAL 64 HB VAL 64 -17.603 7.767 7.767 469 1HG1 VAL 64 1HG1 VAL 64 -17.101 5.679 5.679 470 2HG1 VAL 64 3HG1 VAL 64 -18.673 6.153 6.153 471 3HG1 VAL 64 2HG1 VAL 64 -17.691 7.310 7.310 472 1HG2 VAL 64 3HG2 VAL 64 -16.417 4.953 4.953 473 2HG2 VAL 64 2HG2 VAL 64 -16.601 6.075 6.075 474 3HG2 VAL 64 1HG2 VAL 64 -18.018 5.417 5.417 475 H THR 65 H THR 65 -13.633 8.528 8.528 476 HA THR 65 HA THR 65 -14.879 11.063 11.063 477 HB THR 65 HB THR 65 -12.843 11.516 11.516 478 HG1 THR 65 HG1 THR 65 -12.638 12.113 12.113 479 1HG2 THR 65 2HG2 THR 65 -11.392 9.326 9.326 480 2HG2 THR 65 1HG2 THR 65 -10.688 10.349 10.349 481 3HG2 THR 65 3HG2 THR 65 -11.902 9.166 9.166 482 H ASP 66 H ASP 66 -12.114 10.305 10.305 483 HA ASP 66 HA ASP 66 -13.717 8.970 8.970 484 1HB ASP 66 2HB ASP 66 -11.465 11.030 11.030 485 2HB ASP 66 1HB ASP 66 -12.524 10.404 10.404 486 H PHE 67 H PHE 67 -12.040 7.890 7.890 487 HA PHE 67 HA PHE 67 -9.824 6.607 6.607 488 1HB PHE 67 2HB PHE 67 -8.710 6.672 6.672 489 2HB PHE 67 1HB PHE 67 -10.051 7.524 7.524 490 HD1 PHE 67 HD2 PHE 67 -12.015 6.090 6.090 491 HD2 PHE 67 HD1 PHE 67 -8.227 4.366 4.366 492 HE1 PHE 67 HE2 PHE 67 -12.531 4.174 4.174 493 HE2 PHE 67 HE1 PHE 67 -8.756 2.457 2.457 494 HZ PHE 67 HZ PHE 67 -10.938 2.338 2.338 495 HA PRO 68 HA PRO 68 -12.500 3.213 3.213 496 1HB PRO 68 2HB PRO 68 -10.990 0.988 0.988 497 2HB PRO 68 1HB PRO 68 -10.726 2.031 2.031 498 1HG PRO 68 2HG PRO 68 -9.356 2.239 2.239 499 2HG PRO 68 1HG PRO 68 -8.565 2.073 2.073 500 1HD PRO 68 2HD PRO 68 -8.878 4.558 4.558 501 2HD PRO 68 1HD PRO 68 -9.337 4.309 4.309 502 HA PRO 69 HA PRO 69 -13.962 2.746 2.746 503 1HB PRO 69 2HB PRO 69 -16.596 2.207 2.207 504 2HB PRO 69 1HB PRO 69 -15.919 3.843 3.843 505 1HG PRO 69 2HG PRO 69 -16.182 1.766 1.766 506 2HG PRO 69 1HG PRO 69 -16.845 3.406 3.406 507 1HD PRO 69 2HD PRO 69 -14.477 3.000 3.000 508 2HD PRO 69 1HD PRO 69 -14.619 4.409 4.409 509 H PHE 70 H PHE 70 -12.498 0.957 0.957 510 HA PHE 70 HA PHE 70 -12.840 -1.670 -1.670 511 1HB PHE 70 2HB PHE 70 -10.797 -0.741 -0.741 512 2HB PHE 70 1HB PHE 70 -11.617 -0.602 -0.602 513 HD1 PHE 70 HD1 PHE 70 -12.706 -3.003 -3.003 514 HD2 PHE 70 HD2 PHE 70 -9.422 -2.542 -2.542 515 HE1 PHE 70 HE1 PHE 70 -12.000 -5.294 -5.294 516 HE2 PHE 70 HE2 PHE 70 -8.737 -4.800 -4.800 517 HZ PHE 70 HZ PHE 70 -9.973 -6.185 -6.185 518 H HIS 71 H HIS 71 -14.165 -3.520 -3.520 519 HA HIS 71 HA HIS 71 -15.580 -3.030 -3.030 520 1HB HIS 71 2HB HIS 71 -17.714 -3.915 -3.915 521 2HB HIS 71 1HB HIS 71 -17.242 -2.256 -2.256 522 HD1 HIS 71 HD1 HIS 71 -16.165 -5.422 -5.422 523 HD2 HIS 71 HD2 HIS 71 -17.738 -1.767 -1.767 524 HE1 HIS 71 HE1 HIS 71 -16.375 -5.319 -5.319 525 H ALA 72 H ALA 72 -15.011 -4.691 -4.691 526 HA ALA 72 HA ALA 72 -14.134 -7.231 -7.231 527 1HB ALA 72 2HB ALA 72 -13.372 -6.369 -6.369 528 2HB ALA 72 1HB ALA 72 -15.041 -6.553 -6.553 529 3HB ALA 72 3HB ALA 72 -14.124 -7.977 -7.977 530 H ASN 73 H ASN 73 -15.890 -7.488 -7.488 531 HA ASN 73 HA ASN 73 -18.419 -8.345 -8.345 532 1HB ASN 73 2HB ASN 73 -18.439 -6.749 -6.749 533 2HB ASN 73 1HB ASN 73 -17.552 -7.941 -7.941 534 1HD2 ASN 73 2HD2 ASN 73 -20.460 -9.769 -9.769 535 2HD2 ASN 73 1HD2 ASN 73 -18.759 -9.708 -9.708 536 H GLY 74 H GLY 74 -16.656 -9.657 -9.657 537 1HA GLY 74 2HA GLY 74 -15.321 -11.654 -11.654 538 2HA GLY 74 1HA GLY 74 -16.924 -12.340 -12.340 539 H THR 75 H THR 75 -14.586 -10.719 -10.719 540 HA THR 75 HA THR 75 -14.409 -13.245 -13.245 541 HB THR 75 HB THR 75 -14.111 -11.040 -11.040 542 HG1 THR 75 HG1 THR 75 -16.221 -10.882 -10.882 543 1HG2 THR 75 3HG2 THR 75 -16.273 -13.045 -13.045 544 2HG2 THR 75 2HG2 THR 75 -16.003 -12.256 -12.256 545 3HG2 THR 75 1HG2 THR 75 -14.806 -13.391 -13.391 546 H GLU 76 H GLU 76 -12.485 -13.899 -13.899 547 HA GLU 76 HA GLU 76 -10.152 -12.484 -12.484 548 1HB GLU 76 2HB GLU 76 -10.246 -14.838 -14.838 549 2HB GLU 76 1HB GLU 76 -8.813 -14.244 -14.244 550 1HG GLU 76 2HG GLU 76 -11.224 -15.312 -15.312 551 2HG GLU 76 1HG GLU 76 -9.767 -16.216 -16.216 552 H LYS 77 H LYS 77 -11.242 -13.245 -13.245 553 HA LYS 77 HA LYS 77 -9.415 -11.882 -11.882 554 1HB LYS 77 2HB LYS 77 -11.094 -13.370 -13.370 555 2HB LYS 77 1HB LYS 77 -12.398 -12.340 -12.340 556 1HG LYS 77 2HG LYS 77 -10.380 -10.964 -10.964 557 2HG LYS 77 1HG LYS 77 -11.206 -12.263 -12.263 558 1HD LYS 77 2HD LYS 77 -12.733 -10.122 -10.122 559 2HD LYS 77 1HD LYS 77 -12.205 -9.873 -9.873 560 1HE LYS 77 2HE LYS 77 -13.495 -11.823 -11.823 561 2HE LYS 77 1HE LYS 77 -13.880 -12.298 -12.298 562 1HZ LYS 77 3HZ LYS 77 -14.719 -9.656 -9.656 563 2HZ LYS 77 2HZ LYS 77 -15.275 -10.511 -10.511 564 3HZ LYS 77 1HZ LYS 77 -15.678 -11.023 -11.023 565 H ALA 78 H ALA 78 -12.380 -10.577 -10.577 566 HA ALA 78 HA ALA 78 -11.809 -7.894 -7.894 567 1HB ALA 78 2HB ALA 78 -13.826 -8.739 -8.739 568 2HB ALA 78 1HB ALA 78 -13.741 -7.156 -7.156 569 3HB ALA 78 3HB ALA 78 -14.167 -8.558 -8.558 570 H LYS 79 H LYS 79 -11.283 -9.528 -9.528 571 HA LYS 79 HA LYS 79 -10.606 -7.225 -7.225 572 1HB LYS 79 2HB LYS 79 -9.750 -10.124 -10.124 573 2HB LYS 79 1HB LYS 79 -9.407 -8.873 -8.873 574 1HG LYS 79 2HG LYS 79 -11.903 -8.388 -8.388 575 2HG LYS 79 1HG LYS 79 -12.201 -9.752 -9.752 576 1HD LYS 79 2HD LYS 79 -11.353 -9.679 -9.679 577 2HD LYS 79 1HD LYS 79 -12.605 -10.606 -10.606 578 1HE LYS 79 2HE LYS 79 -10.999 -12.112 -12.112 579 2HE LYS 79 1HE LYS 79 -9.649 -11.191 -11.191 580 1HZ LYS 79 2HZ LYS 79 -11.276 -11.919 -11.919 581 2HZ LYS 79 1HZ LYS 79 -10.921 -13.300 -13.300 582 3HZ LYS 79 3HZ LYS 79 -9.698 -12.313 -12.313 583 H LEU 80 H LEU 80 -8.772 -9.462 -9.462 584 HA LEU 80 HA LEU 80 -6.267 -8.028 -8.028 585 1HB LEU 80 2HB LEU 80 -7.035 -10.522 -10.522 586 2HB LEU 80 1HB LEU 80 -5.496 -9.708 -9.708 587 HG LEU 80 HG LEU 80 -4.770 -9.990 -9.990 588 1HD1 LEU 80 1HD1 LEU 80 -7.499 -11.173 -11.173 589 2HD1 LEU 80 3HD1 LEU 80 -6.096 -11.097 -11.097 590 3HD1 LEU 80 2HD1 LEU 80 -6.882 -9.620 -9.620 591 1HD2 LEU 80 1HD2 LEU 80 -6.038 -12.591 -12.591 592 2HD2 LEU 80 3HD2 LEU 80 -4.463 -11.951 -11.951 593 3HD2 LEU 80 2HD2 LEU 80 -4.757 -12.451 -12.451 594 H VAL 81 H VAL 81 -8.415 -8.489 -8.489 595 HA VAL 81 HA VAL 81 -6.698 -6.765 -6.765 596 HB VAL 81 HB VAL 81 -9.666 -7.481 -7.481 597 1HG1 VAL 81 1HG1 VAL 81 -7.908 -6.017 -6.017 598 2HG1 VAL 81 3HG1 VAL 81 -9.533 -6.611 -6.611 599 3HG1 VAL 81 2HG1 VAL 81 -9.274 -5.327 -5.327 600 1HG2 VAL 81 2HG2 VAL 81 -7.184 -8.433 -8.433 601 2HG2 VAL 81 1HG2 VAL 81 -8.087 -9.355 -9.355 602 3HG2 VAL 81 3HG2 VAL 81 -8.827 -8.944 -8.944 603 H GLU 82 H GLU 82 -9.588 -6.012 -6.012 604 HA GLU 82 HA GLU 82 -9.522 -3.261 -3.261 605 1HB GLU 82 2HB GLU 82 -10.620 -4.443 -4.443 606 2HB GLU 82 1HB GLU 82 -10.710 -2.733 -2.733 607 1HG GLU 82 2HG GLU 82 -12.178 -5.005 -5.005 608 2HG GLU 82 1HG GLU 82 -12.853 -3.582 -3.582 609 H LEU 83 H LEU 83 -7.994 -5.145 -5.145 610 HA LEU 83 HA LEU 83 -6.863 -2.835 -2.835 611 1HB LEU 83 2HB LEU 83 -6.815 -5.143 -5.143 612 2HB LEU 83 1HB LEU 83 -5.664 -5.667 -5.667 613 HG LEU 83 HG LEU 83 -4.954 -4.745 -4.745 614 1HD1 LEU 83 3HD1 LEU 83 -3.363 -4.135 -4.135 615 2HD1 LEU 83 2HD1 LEU 83 -2.752 -4.232 -4.232 616 3HD1 LEU 83 1HD1 LEU 83 -3.410 -5.654 -5.654 617 1HD2 LEU 83 3HD2 LEU 83 -5.988 -2.687 -2.687 618 2HD2 LEU 83 2HD2 LEU 83 -4.252 -2.499 -2.499 619 3HD2 LEU 83 1HD2 LEU 83 -4.983 -2.208 -2.208 620 H TYR 84 H TYR 84 -5.494 -5.135 -5.135 621 HA TYR 84 HA TYR 84 -3.173 -4.161 -4.161 622 1HB TYR 84 2HB TYR 84 -4.206 -6.197 -6.197 623 2HB TYR 84 1HB TYR 84 -5.217 -5.189 -5.189 624 HD1 TYR 84 HD1 TYR 84 -3.943 -3.364 -3.364 625 HD2 TYR 84 HD2 TYR 84 -2.071 -6.731 -6.731 626 HE1 TYR 84 HE1 TYR 84 -2.169 -3.041 -3.041 627 HE2 TYR 84 HE2 TYR 84 -0.268 -6.481 -6.481 628 HH TYR 84 HH TYR 84 -0.171 -4.807 -4.807 629 H ARG 85 H ARG 85 -5.787 -3.485 -3.485 630 HA ARG 85 HA ARG 85 -4.976 -1.262 -1.262 631 1HB ARG 85 2HB ARG 85 -7.190 -2.305 -2.305 632 2HB ARG 85 1HB ARG 85 -7.762 -1.726 -1.726 633 1HG ARG 85 2HG ARG 85 -7.939 0.494 0.494 634 2HG ARG 85 1HG ARG 85 -6.706 0.365 0.365 635 1HD ARG 85 2HD ARG 85 -9.078 0.553 0.553 636 2HD ARG 85 1HD ARG 85 -8.203 -0.857 -0.857 637 HE ARG 85 HE ARG 85 -10.142 -0.927 -0.927 638 1HH1 ARG 85 2HH1 ARG 85 -8.835 -2.362 -2.362 639 2HH1 ARG 85 1HH1 ARG 85 -9.885 -3.693 -3.693 640 1HH2 ARG 85 1HH2 ARG 85 -11.420 -2.615 -2.615 641 2HH2 ARG 85 2HH2 ARG 85 -11.459 -3.881 -3.881 642 H MET 86 H MET 86 -6.732 -1.129 -1.129 643 HA MET 86 HA MET 86 -6.677 1.562 1.562 644 1HB MET 86 2HB MET 86 -7.936 0.144 0.144 645 2HB MET 86 1HB MET 86 -6.583 -0.860 -0.860 646 1HG MET 86 2HG MET 86 -6.667 1.993 1.993 647 2HG MET 86 1HG MET 86 -7.528 0.729 0.729 648 1HE MET 86 1HE MET 86 -4.425 2.651 2.651 649 2HE MET 86 3HE MET 86 -5.056 2.744 2.744 650 3HE MET 86 2HE MET 86 -3.480 2.031 2.031 651 H VAL 87 H VAL 87 -4.095 -0.720 -0.720 652 HA VAL 87 HA VAL 87 -2.220 1.133 1.133 653 HB VAL 87 HB VAL 87 -2.479 -1.769 -1.769 654 1HG1 VAL 87 3HG1 VAL 87 0.014 -0.393 -0.393 655 2HG1 VAL 87 2HG1 VAL 87 -0.188 -2.148 -2.148 656 3HG1 VAL 87 1HG1 VAL 87 -0.055 -1.244 -1.244 657 1HG2 VAL 87 2HG2 VAL 87 -3.534 -0.944 -0.944 658 2HG2 VAL 87 1HG2 VAL 87 -2.212 -2.000 -2.000 659 3HG2 VAL 87 3HG2 VAL 87 -2.041 -0.251 -0.251 660 H ALA 88 H ALA 88 -3.062 -0.079 -0.079 661 HA ALA 88 HA ALA 88 -0.425 0.321 0.321 662 1HB ALA 88 2HB ALA 88 -2.039 -1.483 -1.483 663 2HB ALA 88 1HB ALA 88 -3.202 -0.330 -0.330 664 3HB ALA 88 3HB ALA 88 -1.672 -0.563 -0.563 665 H TYR 89 H TYR 89 -3.662 1.745 1.745 666 HA TYR 89 HA TYR 89 -2.748 4.075 4.075 667 1HB TYR 89 2HB TYR 89 -4.987 4.893 4.893 668 2HB TYR 89 1HB TYR 89 -5.302 3.227 3.227 669 HD1 TYR 89 HD1 TYR 89 -4.608 6.608 6.608 670 HD2 TYR 89 HD2 TYR 89 -6.107 2.681 2.681 671 HE1 TYR 89 HE1 TYR 89 -5.406 7.259 7.259 672 HE2 TYR 89 HE2 TYR 89 -6.892 3.386 3.386 673 HH TYR 89 HH TYR 89 -5.990 6.386 6.386 674 H LEU 90 H LEU 90 -3.282 3.343 3.343 675 HA LEU 90 HA LEU 90 -2.466 5.815 5.815 676 1HB LEU 90 2HB LEU 90 -3.423 4.060 4.060 677 2HB LEU 90 1HB LEU 90 -2.006 3.041 3.041 678 HG LEU 90 HG LEU 90 -0.845 5.316 5.316 679 1HD1 LEU 90 1HD1 LEU 90 -3.583 5.335 5.335 680 2HD1 LEU 90 3HD1 LEU 90 -2.239 6.332 6.332 681 3HD1 LEU 90 2HD1 LEU 90 -2.936 6.551 6.551 682 1HD2 LEU 90 3HD2 LEU 90 -0.401 3.161 3.161 683 2HD2 LEU 90 2HD2 LEU 90 -0.660 4.371 4.371 684 3HD2 LEU 90 1HD2 LEU 90 -1.924 3.214 3.214 685 H SER 91 H SER 91 -0.462 2.875 2.875 686 HA SER 91 HA SER 91 2.028 3.774 3.774 687 1HB SER 91 2HB SER 91 1.291 2.107 2.107 688 2HB SER 91 1HB SER 91 2.983 2.534 2.534 689 HG SER 91 HG SER 91 1.254 0.956 0.956 690 H ALA 92 H ALA 92 0.614 4.542 4.542 691 HA ALA 92 HA ALA 92 2.820 6.208 6.208 692 1HB ALA 92 3HB ALA 92 -0.094 6.123 6.123 693 2HB ALA 92 2HB ALA 92 1.210 6.931 6.931 694 3HB ALA 92 1HB ALA 92 1.230 5.186 5.186 695 H SER 93 H SER 93 -0.382 6.923 6.923 696 HA SER 93 HA SER 93 -0.253 9.748 9.748 697 1HB SER 93 2HB SER 93 -2.176 7.953 7.953 698 2HB SER 93 1HB SER 93 -1.614 8.213 8.213 699 HG SER 93 HG SER 93 -2.892 10.003 10.003 700 H LEU 94 H LEU 94 1.002 7.402 7.402 701 HA LEU 94 HA LEU 94 1.946 9.257 9.257 702 1HB LEU 94 2HB LEU 94 1.862 6.308 6.308 703 2HB LEU 94 1HB LEU 94 3.403 6.828 6.828 704 HG LEU 94 HG LEU 94 2.068 8.171 8.171 705 1HD1 LEU 94 3HD1 LEU 94 -0.135 8.090 8.090 706 2HD1 LEU 94 2HD1 LEU 94 -0.136 6.365 6.365 707 3HD1 LEU 94 1HD1 LEU 94 -0.161 7.482 7.482 708 1HD2 LEU 94 3HD2 LEU 94 3.238 5.978 5.978 709 2HD2 LEU 94 2HD2 LEU 94 1.739 6.128 6.128 710 3HD2 LEU 94 1HD2 LEU 94 1.804 5.113 5.113 711 H THR 95 H THR 95 3.571 7.240 7.240 712 HA THR 95 HA THR 95 6.172 8.237 8.237 713 HB THR 95 HB THR 95 4.851 7.313 7.313 714 HG1 THR 95 HG1 THR 95 7.089 6.065 6.065 715 1HG2 THR 95 1HG2 THR 95 7.809 8.186 8.186 716 2HG2 THR 95 3HG2 THR 95 7.248 7.487 7.487 717 3HG2 THR 95 2HG2 THR 95 6.746 9.090 9.090 718 H ASN 96 H ASN 96 3.752 9.640 9.640 719 HA ASN 96 HA ASN 96 5.295 11.759 11.759 720 1HB ASN 96 2HB ASN 96 2.324 11.671 11.671 721 2HB ASN 96 1HB ASN 96 3.086 12.989 12.989 722 1HD2 ASN 96 2HD2 ASN 96 2.283 9.610 9.610 723 2HD2 ASN 96 1HD2 ASN 96 1.781 9.838 9.838 724 H ILE 97 H ILE 97 3.067 12.009 12.009 725 HA ILE 97 HA ILE 97 3.922 14.635 14.635 726 HB ILE 97 HB ILE 97 1.928 13.715 13.715 727 1HG1 ILE 97 2HG1 ILE 97 3.895 13.918 13.918 728 2HG1 ILE 97 1HG1 ILE 97 3.590 15.324 15.324 729 1HG2 ILE 97 3HG2 ILE 97 2.566 11.341 11.341 730 2HG2 ILE 97 2HG2 ILE 97 3.703 11.674 11.674 731 3HG2 ILE 97 1HG2 ILE 97 1.987 11.922 11.922 732 1HD1 ILE 97 3HD1 ILE 97 1.526 13.784 13.784 733 2HD1 ILE 97 2HD1 ILE 97 2.205 15.350 15.350 734 3HD1 ILE 97 1HD1 ILE 97 1.164 15.187 15.187 735 H THR 98 H THR 98 5.229 11.537 11.537 736 HA THR 98 HA THR 98 7.182 12.174 12.174 737 HB THR 98 HB THR 98 7.704 10.429 10.429 738 HG1 THR 98 HG1 THR 98 5.901 9.685 9.685 739 1HG2 THR 98 2HG2 THR 98 9.734 10.812 10.812 740 2HG2 THR 98 1HG2 THR 98 8.825 10.156 10.156 741 3HG2 THR 98 3HG2 THR 98 9.135 9.162 9.162 742 H ARG 99 H ARG 99 7.531 12.503 12.503 743 HA ARG 99 HA ARG 99 10.066 13.728 13.728 744 1HB ARG 99 2HB ARG 99 8.203 12.758 12.758 745 2HB ARG 99 1HB ARG 99 7.892 14.457 14.457 746 1HG ARG 99 2HG ARG 99 9.530 14.221 14.221 747 2HG ARG 99 1HG ARG 99 10.522 14.680 14.680 748 1HD ARG 99 2HD ARG 99 11.035 12.340 12.340 749 2HD ARG 99 1HD ARG 99 9.980 11.734 11.734 750 HE ARG 99 HE ARG 99 12.677 12.719 12.719 751 1HH1 ARG 99 2HH1 ARG 99 9.613 12.592 12.592 752 2HH1 ARG 99 1HH1 ARG 99 10.128 12.538 12.538 753 1HH2 ARG 99 1HH2 ARG 99 13.530 12.736 12.736 754 2HH2 ARG 99 2HH2 ARG 99 12.504 12.674 12.674 755 H ASP 100 H ASP 100 6.872 15.256 15.256 756 HA ASP 100 HA ASP 100 7.808 17.906 17.906 757 1HB ASP 100 2HB ASP 100 5.061 16.765 16.765 758 2HB ASP 100 1HB ASP 100 5.421 18.465 18.465 759 H GLN 101 H GLN 101 7.433 15.566 15.566 760 HA GLN 101 HA GLN 101 7.098 17.612 17.612 761 1HB GLN 101 2HB GLN 101 7.733 14.612 14.612 762 2HB GLN 101 1HB GLN 101 7.603 15.609 15.609 763 1HG GLN 101 2HG GLN 101 5.446 15.327 15.327 764 2HG GLN 101 1HG GLN 101 5.446 14.451 14.451 765 1HE2 GLN 101 2HE2 GLN 101 3.606 17.797 17.797 766 2HE2 GLN 101 1HE2 GLN 101 3.569 16.647 16.647 767 H LYS 102 H LYS 102 9.652 15.390 15.390 768 HA LYS 102 HA LYS 102 11.597 16.482 16.482 769 1HB LYS 102 2HB LYS 102 13.189 15.179 15.179 770 2HB LYS 102 1HB LYS 102 11.630 14.421 14.421 771 1HG LYS 102 2HG LYS 102 11.522 15.220 15.220 772 2HG LYS 102 1HG LYS 102 12.898 16.295 16.295 773 1HD LYS 102 2HD LYS 102 13.713 14.307 14.307 774 2HD LYS 102 1HD LYS 102 14.329 14.286 14.286 775 1HE LYS 102 2HE LYS 102 12.113 12.810 12.810 776 2HE LYS 102 1HE LYS 102 12.118 12.605 12.605 777 1HZ LYS 102 1HZ LYS 102 14.733 12.065 12.065 778 2HZ LYS 102 3HZ LYS 102 13.651 11.361 11.361 779 3HZ LYS 102 2HZ LYS 102 13.555 10.946 10.946 780 H VAL 103 H VAL 103 10.356 17.555 17.555 781 HA VAL 103 HA VAL 103 12.484 19.640 19.640 782 HB VAL 103 HB VAL 103 9.951 19.196 19.196 783 1HG1 VAL 103 3HG1 VAL 103 12.380 20.978 20.978 784 2HG1 VAL 103 2HG1 VAL 103 11.061 20.716 20.716 785 3HG1 VAL 103 1HG1 VAL 103 10.767 21.548 21.548 786 1HG2 VAL 103 3HG2 VAL 103 12.873 18.443 18.443 787 2HG2 VAL 103 2HG2 VAL 103 11.580 17.321 17.321 788 3HG2 VAL 103 1HG2 VAL 103 11.534 18.211 18.211 789 H LEU 104 H LEU 104 9.070 19.399 19.399 790 HA LEU 104 HA LEU 104 8.629 22.180 22.180 791 1HB LEU 104 2HB LEU 104 6.749 20.576 20.576 792 2HB LEU 104 1HB LEU 104 7.239 19.807 19.807 793 HG LEU 104 HG LEU 104 6.767 22.049 22.049 794 1HD1 LEU 104 3HD1 LEU 104 5.523 22.731 22.731 795 2HD1 LEU 104 2HD1 LEU 104 5.368 23.675 23.675 796 3HD1 LEU 104 1HD1 LEU 104 6.931 23.506 23.506 797 1HD2 LEU 104 2HD2 LEU 104 5.137 20.149 20.149 798 2HD2 LEU 104 1HD2 LEU 104 4.335 21.700 21.700 799 3HD2 LEU 104 3HD2 LEU 104 4.447 20.757 20.757 800 H ASN 105 H ASN 105 9.659 19.751 19.751 801 HA ASN 105 HA ASN 105 10.443 22.163 22.163 802 1HB ASN 105 2HB ASN 105 8.281 20.332 20.332 803 2HB ASN 105 1HB ASN 105 9.405 20.687 20.687 804 1HD2 ASN 105 2HD2 ASN 105 6.705 23.246 23.246 805 2HD2 ASN 105 1HD2 ASN 105 6.766 21.559 21.559 806 HA PRO 106 HA PRO 106 14.145 20.479 20.479 807 1HB PRO 106 2HB PRO 106 14.427 21.743 21.743 808 2HB PRO 106 1HB PRO 106 14.588 22.596 22.596 809 1HG PRO 106 2HG PRO 106 12.011 22.308 22.308 810 2HG PRO 106 1HG PRO 106 12.745 23.812 23.812 811 1HD PRO 106 2HD PRO 106 10.803 22.746 22.746 812 2HD PRO 106 1HD PRO 106 12.191 23.263 23.263 813 H SER 107 H SER 107 11.342 20.116 20.116 814 HA SER 107 HA SER 107 12.432 17.852 17.852 815 1HB SER 107 2HB SER 107 10.050 18.257 18.257 816 2HB SER 107 1HB SER 107 11.233 19.571 19.571 817 HG SER 107 HG SER 107 8.964 19.866 19.866 818 H ALA 108 H ALA 108 9.993 18.802 18.802 819 HA ALA 108 HA ALA 108 8.484 16.446 16.446 820 1HB ALA 108 1HB ALA 108 9.530 18.270 18.270 821 2HB ALA 108 3HB ALA 108 8.249 17.093 17.093 822 3HB ALA 108 2HB ALA 108 7.988 18.436 18.436 823 H VAL 109 H VAL 109 11.684 17.333 17.333 824 HA VAL 109 HA VAL 109 12.401 15.335 15.335 825 HB VAL 109 HB VAL 109 13.884 17.211 17.211 826 1HG1 VAL 109 1HG1 VAL 109 13.626 16.554 16.554 827 2HG1 VAL 109 3HG1 VAL 109 14.591 15.118 15.118 828 3HG1 VAL 109 2HG1 VAL 109 15.292 16.708 16.708 829 1HG2 VAL 109 1HG2 VAL 109 14.813 15.568 15.568 830 2HG2 VAL 109 3HG2 VAL 109 16.000 15.988 15.988 831 3HG2 VAL 109 2HG2 VAL 109 15.150 14.454 14.454 832 H SER 110 H SER 110 12.058 15.122 15.122 833 HA SER 110 HA SER 110 12.847 12.294 12.294 834 1HB SER 110 2HB SER 110 11.337 14.061 14.061 835 2HB SER 110 1HB SER 110 12.262 12.585 12.585 836 HG SER 110 HG SER 110 13.725 14.231 14.231 837 H LEU 111 H LEU 111 9.846 14.146 14.146 838 HA LEU 111 HA LEU 111 7.939 12.086 12.086 839 1HB LEU 111 2HB LEU 111 7.215 14.433 14.433 840 2HB LEU 111 1HB LEU 111 7.818 14.406 14.406 841 HG LEU 111 HG LEU 111 5.454 12.729 12.729 842 1HD1 LEU 111 2HD1 LEU 111 5.700 15.266 15.266 843 2HD1 LEU 111 1HD1 LEU 111 4.165 14.467 14.467 844 3HD1 LEU 111 3HD1 LEU 111 5.059 15.142 15.142 845 1HD2 LEU 111 3HD2 LEU 111 6.572 13.294 13.294 846 2HD2 LEU 111 2HD2 LEU 111 6.487 11.715 11.715 847 3HD2 LEU 111 1HD2 LEU 111 5.029 12.522 12.522 848 H HIS 112 H HIS 112 9.172 13.201 13.201 849 HA HIS 112 HA HIS 112 8.171 11.194 11.194 850 1HB HIS 112 2HB HIS 112 9.457 12.184 12.184 851 2HB HIS 112 1HB HIS 112 9.849 13.363 13.363 852 HD1 HIS 112 HD1 HIS 112 11.357 9.962 9.962 853 HD2 HIS 112 HD2 HIS 112 12.410 13.802 13.802 854 HE1 HIS 112 HE1 HIS 112 13.834 9.995 9.995 855 H SER 113 H SER 113 11.233 11.149 11.149 856 HA SER 113 HA SER 113 12.339 8.736 8.736 857 1HB SER 113 2HB SER 113 12.161 9.459 9.459 858 2HB SER 113 1HB SER 113 13.390 8.485 8.485 859 HG SER 113 HG SER 113 13.126 10.940 10.940 860 H LYS 114 H LYS 114 9.875 9.074 9.074 861 HA LYS 114 HA LYS 114 9.503 6.260 6.260 862 1HB LYS 114 2HB LYS 114 7.427 8.515 8.515 863 2HB LYS 114 1HB LYS 114 7.332 6.931 6.931 864 1HG LYS 114 2HG LYS 114 9.641 7.515 7.515 865 2HG LYS 114 1HG LYS 114 9.414 9.104 9.104 866 1HD LYS 114 2HD LYS 114 8.698 9.066 9.066 867 2HD LYS 114 1HD LYS 114 7.450 9.563 9.563 868 1HE LYS 114 2HE LYS 114 6.823 7.902 7.902 869 2HE LYS 114 1HE LYS 114 6.163 7.626 7.626 870 1HZ LYS 114 1HZ LYS 114 8.663 6.345 6.345 871 2HZ LYS 114 3HZ LYS 114 7.785 5.885 5.885 872 3HZ LYS 114 2HZ LYS 114 7.130 5.610 5.610 873 H LEU 115 H LEU 115 7.587 8.537 8.537 874 HA LEU 115 HA LEU 115 5.781 6.901 6.901 875 1HB LEU 115 2HB LEU 115 7.442 9.125 9.125 876 2HB LEU 115 1HB LEU 115 6.194 8.284 8.284 877 HG LEU 115 HG LEU 115 5.737 10.599 10.599 878 1HD1 LEU 115 1HD1 LEU 115 4.124 9.384 9.384 879 2HD1 LEU 115 3HD1 LEU 115 3.783 8.305 8.305 880 3HD1 LEU 115 2HD1 LEU 115 3.336 9.997 9.997 881 1HD2 LEU 115 3HD2 LEU 115 4.936 8.452 8.452 882 2HD2 LEU 115 2HD2 LEU 115 6.157 9.687 9.687 883 3HD2 LEU 115 1HD2 LEU 115 4.489 10.146 10.146 884 H ASN 116 H ASN 116 9.126 7.410 7.410 885 HA ASN 116 HA ASN 116 9.268 5.722 5.722 886 1HB ASN 116 2HB ASN 116 11.391 5.880 5.880 887 2HB ASN 116 1HB ASN 116 11.613 5.128 5.128 888 1HD2 ASN 116 2HD2 ASN 116 12.563 8.107 8.107 889 2HD2 ASN 116 1HD2 ASN 116 12.655 6.404 6.404 890 H ALA 117 H ALA 117 9.939 4.789 4.789 891 HA ALA 117 HA ALA 117 10.136 2.048 2.048 892 1HB ALA 117 1HB ALA 117 9.015 3.176 3.176 893 2HB ALA 117 3HB ALA 117 9.530 1.520 1.520 894 3HB ALA 117 2HB ALA 117 10.713 2.813 2.813 895 H THR 118 H THR 118 7.263 3.711 3.711 896 HA THR 118 HA THR 118 5.500 1.558 1.558 897 HB THR 118 HB THR 118 3.765 3.647 3.647 898 HG1 THR 118 HG1 THR 118 5.864 4.716 4.716 899 1HG2 THR 118 3HG2 THR 118 4.963 3.482 3.482 900 2HG2 THR 118 2HG2 THR 118 3.441 4.226 4.226 901 3HG2 THR 118 1HG2 THR 118 3.627 2.486 2.486 902 H ILE 119 H ILE 119 6.351 3.597 3.597 903 HA ILE 119 HA ILE 119 4.377 2.552 2.552 904 HB ILE 119 HB ILE 119 7.118 3.837 3.837 905 1HG1 ILE 119 2HG1 ILE 119 4.440 5.195 5.195 906 2HG1 ILE 119 1HG1 ILE 119 5.102 5.140 5.140 907 1HG2 ILE 119 3HG2 ILE 119 4.823 3.434 3.434 908 2HG2 ILE 119 2HG2 ILE 119 6.301 4.322 4.322 909 3HG2 ILE 119 1HG2 ILE 119 6.383 2.602 2.602 910 1HD1 ILE 119 2HD1 ILE 119 6.557 6.234 6.234 911 2HD1 ILE 119 1HD1 ILE 119 5.821 7.197 7.197 912 3HD1 ILE 119 3HD1 ILE 119 7.203 6.185 6.185 913 H ASP 120 H ASP 120 7.859 1.916 1.916 914 HA ASP 120 HA ASP 120 7.564 -0.310 -0.310 915 1HB ASP 120 2HB ASP 120 9.743 0.585 0.585 916 2HB ASP 120 1HB ASP 120 9.921 -0.931 -0.931 917 H VAL 121 H VAL 121 7.750 -0.386 -0.386 918 HA VAL 121 HA VAL 121 7.654 -3.208 -3.208 919 HB VAL 121 HB VAL 121 7.971 -1.161 -1.161 920 1HG1 VAL 121 1HG1 VAL 121 4.996 -1.453 -1.453 921 2HG1 VAL 121 3HG1 VAL 121 5.989 -0.494 -0.494 922 3HG1 VAL 121 2HG1 VAL 121 5.936 -0.117 -0.117 923 1HG2 VAL 121 2HG2 VAL 121 8.218 -3.343 -3.343 924 2HG2 VAL 121 1HG2 VAL 121 7.384 -2.269 -2.269 925 3HG2 VAL 121 3HG2 VAL 121 6.466 -3.480 -3.480 926 H MET 122 H MET 122 5.087 -0.859 -0.859 927 HA MET 122 HA MET 122 2.952 -2.834 -2.834 928 1HB MET 122 2HB MET 122 3.185 0.033 0.033 929 2HB MET 122 1HB MET 122 1.885 -0.908 -0.908 930 1HG MET 122 2HG MET 122 1.286 -1.459 -1.459 931 2HG MET 122 1HG MET 122 2.544 -0.338 -0.338 932 1HE MET 122 3HE MET 122 2.136 1.842 1.842 933 2HE MET 122 2HE MET 122 2.354 2.353 2.353 934 3HE MET 122 1HE MET 122 1.034 2.989 2.989 935 H ARG 123 H ARG 123 4.743 -1.262 -1.262 936 HA ARG 123 HA ARG 123 3.497 -2.531 -2.531 937 1HB ARG 123 2HB ARG 123 6.503 -2.007 -2.007 938 2HB ARG 123 1HB ARG 123 5.613 -2.181 -2.181 939 1HG ARG 123 2HG ARG 123 4.044 -0.249 -0.249 940 2HG ARG 123 1HG ARG 123 5.419 0.058 0.058 941 1HD ARG 123 2HD ARG 123 5.265 0.307 0.307 942 2HD ARG 123 1HD ARG 123 5.587 1.581 1.581 943 HE ARG 123 HE ARG 123 7.779 0.253 0.253 944 1HH1 ARG 123 2HH1 ARG 123 6.269 0.342 0.342 945 2HH1 ARG 123 1HH1 ARG 123 7.730 0.092 0.092 946 1HH2 ARG 123 1HH2 ARG 123 9.637 -0.081 -0.081 947 2HH2 ARG 123 2HH2 ARG 123 9.744 -0.178 -0.178 948 H GLY 124 H GLY 124 5.831 -3.779 -3.779 949 1HA GLY 124 2HA GLY 124 6.340 -6.291 -6.291 950 2HA GLY 124 1HA GLY 124 6.577 -5.989 -5.989 951 H LEU 125 H LEU 125 4.166 -5.377 -5.377 952 HA LEU 125 HA LEU 125 2.760 -7.878 -7.878 953 1HB LEU 125 2HB LEU 125 1.583 -6.645 -6.645 954 2HB LEU 125 1HB LEU 125 2.641 -5.341 -5.341 955 HG LEU 125 HG LEU 125 0.883 -4.479 -4.479 956 1HD1 LEU 125 3HD1 LEU 125 -0.411 -6.692 -6.692 957 2HD1 LEU 125 2HD1 LEU 125 -0.865 -6.536 -6.536 958 3HD1 LEU 125 1HD1 LEU 125 -1.392 -5.353 -5.353 959 1HD2 LEU 125 2HD2 LEU 125 1.115 -3.598 -3.598 960 2HD2 LEU 125 1HD2 LEU 125 -0.551 -3.574 -3.574 961 3HD2 LEU 125 3HD2 LEU 125 0.003 -4.812 -4.812 962 H LEU 126 H LEU 126 1.968 -5.063 -5.063 963 HA LEU 126 HA LEU 126 -0.171 -6.174 -6.174 964 1HB LEU 126 2HB LEU 126 2.106 -4.392 -4.392 965 2HB LEU 126 1HB LEU 126 0.778 -4.670 -4.670 966 HG LEU 126 HG LEU 126 1.003 -3.086 -3.086 967 1HD1 LEU 126 3HD1 LEU 126 0.410 -2.064 -2.064 968 2HD1 LEU 126 2HD1 LEU 126 -1.016 -3.091 -3.091 969 3HD1 LEU 126 1HD1 LEU 126 -0.886 -1.791 -1.791 970 1HD2 LEU 126 1HD2 LEU 126 -1.479 -4.472 -4.472 971 2HD2 LEU 126 3HD2 LEU 126 -0.665 -4.662 -4.662 972 3HD2 LEU 126 2HD2 LEU 126 -1.443 -3.143 -3.143 973 H SER 127 H SER 127 3.178 -6.359 -6.359 974 HA SER 127 HA SER 127 2.947 -8.055 -8.055 975 1HB SER 127 2HB SER 127 5.156 -8.030 -8.030 976 2HB SER 127 1HB SER 127 5.317 -8.732 -8.732 977 HG SER 127 HG SER 127 5.072 -6.026 -6.026 978 H ASN 128 H ASN 128 3.317 -8.917 -8.917 979 HA ASN 128 HA ASN 128 2.973 -11.740 -11.740 980 1HB ASN 128 2HB ASN 128 1.992 -9.922 -9.922 981 2HB ASN 128 1HB ASN 128 1.963 -11.648 -11.648 982 1HD2 ASN 128 2HD2 ASN 128 5.426 -9.769 -9.769 983 2HD2 ASN 128 1HD2 ASN 128 4.149 -8.867 -8.867 984 H VAL 129 H VAL 129 0.486 -9.136 -9.136 985 HA VAL 129 HA VAL 129 -1.654 -11.115 -11.115 986 HB VAL 129 HB VAL 129 -1.462 -8.175 -8.175 987 1HG1 VAL 129 3HG1 VAL 129 -3.962 -9.956 -9.956 988 2HG1 VAL 129 2HG1 VAL 129 -4.037 -8.219 -8.219 989 3HG1 VAL 129 1HG1 VAL 129 -3.167 -9.123 -9.123 990 1HG2 VAL 129 1HG2 VAL 129 -1.766 -8.887 -8.887 991 2HG2 VAL 129 3HG2 VAL 129 -3.180 -7.999 -7.999 992 3HG2 VAL 129 2HG2 VAL 129 -3.232 -9.751 -9.751 993 H LEU 130 H LEU 130 -0.520 -9.120 -9.120 994 HA LEU 130 HA LEU 130 -1.802 -10.484 -10.484 995 1HB LEU 130 2HB LEU 130 0.287 -8.397 -8.397 996 2HB LEU 130 1HB LEU 130 0.575 -9.332 -9.332 997 HG LEU 130 HG LEU 130 -1.011 -7.241 -7.241 998 1HD1 LEU 130 2HD1 LEU 130 -1.902 -10.017 -10.017 999 2HD1 LEU 130 1HD1 LEU 130 -2.582 -8.545 -8.545 1000 3HD1 LEU 130 3HD1 LEU 130 -0.912 -8.959 -8.959 1001 1HD2 LEU 130 1HD2 LEU 130 -2.445 -7.771 -7.771 1002 2HD2 LEU 130 3HD2 LEU 130 -3.392 -7.550 -7.550 1003 3HD2 LEU 130 2HD2 LEU 130 -3.130 -9.142 -9.142 1004 H CYS 131 H CYS 131 0.823 -11.615 -11.615 1005 HA CYS 131 HA CYS 131 1.855 -13.435 -13.435 1006 1HB CYS 131 2HB CYS 131 2.667 -12.559 -12.559 1007 2HB CYS 131 1HB CYS 131 2.500 -14.282 -14.282 1008 H ARG 132 H ARG 132 -0.200 -13.436 -13.436 1009 HA ARG 132 HA ARG 132 -0.895 -16.281 -16.281 1010 1HB ARG 132 2HB ARG 132 -0.957 -15.520 -15.520 1011 2HB ARG 132 1HB ARG 132 -1.939 -14.142 -14.142 1012 1HG ARG 132 2HG ARG 132 -3.229 -15.839 -15.839 1013 2HG ARG 132 1HG ARG 132 -3.933 -15.571 -15.571 1014 1HD ARG 132 2HD ARG 132 -2.193 -17.959 -17.959 1015 2HD ARG 132 1HD ARG 132 -3.956 -18.012 -18.012 1016 HE ARG 132 HE ARG 132 -3.372 -17.077 -17.077 1017 1HH1 ARG 132 2HH1 ARG 132 -1.604 -19.465 -19.465 1018 2HH1 ARG 132 1HH1 ARG 132 -0.875 -20.137 -20.137 1019 1HH2 ARG 132 1HH2 ARG 132 -2.489 -17.759 -17.759 1020 2HH2 ARG 132 2HH2 ARG 132 -1.524 -19.151 -19.151 1021 H LEU 133 H LEU 133 -2.751 -13.269 -13.269 1022 HA LEU 133 HA LEU 133 -4.509 -14.553 -14.553 1023 1HB LEU 133 2HB LEU 133 -6.405 -13.535 -13.535 1024 2HB LEU 133 1HB LEU 133 -5.453 -14.267 -14.267 1025 HG LEU 133 HG LEU 133 -4.296 -11.798 -11.798 1026 1HD1 LEU 133 3HD1 LEU 133 -7.205 -11.265 -11.265 1027 2HD1 LEU 133 2HD1 LEU 133 -5.991 -10.078 -10.078 1028 3HD1 LEU 133 1HD1 LEU 133 -5.812 -10.922 -10.922 1029 1HD2 LEU 133 3HD2 LEU 133 -6.748 -12.500 -12.500 1030 2HD2 LEU 133 2HD2 LEU 133 -5.062 -12.873 -12.873 1031 3HD2 LEU 133 1HD2 LEU 133 -5.592 -11.206 -11.206 1032 H CYS 134 H CYS 134 -4.889 -13.372 -13.372 1033 HA CYS 134 HA CYS 134 -3.636 -10.736 -10.736 1034 1HB CYS 134 2HB CYS 134 -5.129 -11.345 -11.345 1035 2HB CYS 134 1HB CYS 134 -3.440 -11.525 -11.525 1036 H ASN 135 H ASN 135 -6.756 -11.662 -11.662 1037 HA ASN 135 HA ASN 135 -8.022 -9.457 -9.457 1038 1HB ASN 135 2HB ASN 135 -8.365 -9.492 -9.492 1039 2HB ASN 135 1HB ASN 135 -9.397 -10.888 -10.888 1040 1HD2 ASN 135 2HD2 ASN 135 -10.855 -7.274 -7.274 1041 2HD2 ASN 135 1HD2 ASN 135 -9.346 -7.497 -7.497 1042 H LYS 136 H LYS 136 -8.522 -12.799 -12.799 1043 HA LYS 136 HA LYS 136 -9.820 -13.523 -13.523 1044 1HB LYS 136 2HB LYS 136 -10.933 -14.328 -14.328 1045 2HB LYS 136 1HB LYS 136 -11.732 -14.442 -14.442 1046 1HG LYS 136 2HG LYS 136 -11.786 -11.896 -11.896 1047 2HG LYS 136 1HG LYS 136 -11.030 -11.815 -11.815 1048 1HD LYS 136 2HD LYS 136 -13.783 -13.003 -13.003 1049 2HD LYS 136 1HD LYS 136 -13.404 -11.385 -11.385 1050 1HE LYS 136 2HE LYS 136 -12.121 -12.359 -12.359 1051 2HE LYS 136 1HE LYS 136 -12.523 -13.978 -13.978 1052 1HZ LYS 136 3HZ LYS 136 -14.929 -12.496 -12.496 1053 2HZ LYS 136 2HZ LYS 136 -14.020 -12.320 -12.320 1054 3HZ LYS 136 1HZ LYS 136 -14.414 -13.872 -13.872 1055 H TYR 137 H TYR 137 -7.236 -13.951 -13.951 1056 HA TYR 137 HA TYR 137 -5.646 -15.699 -15.699 1057 1HB TYR 137 2HB TYR 137 -7.769 -17.815 -17.815 1058 2HB TYR 137 1HB TYR 137 -6.302 -17.781 -17.781 1059 HD1 TYR 137 HD1 TYR 137 -6.143 -15.926 -15.926 1060 HD2 TYR 137 HD2 TYR 137 -9.842 -17.150 -17.150 1061 HE1 TYR 137 HE1 TYR 137 -7.349 -15.003 -15.003 1062 HE2 TYR 137 HE2 TYR 137 -11.036 -16.249 -16.249 1063 HH TYR 137 HH TYR 137 -9.381 -15.137 -15.137 1064 H ARG 138 H ARG 138 -8.173 -16.576 -16.576 1065 HA ARG 138 HA ARG 138 -6.283 -17.546 -17.546 1066 1HB ARG 138 2HB ARG 138 -8.165 -19.123 -19.123 1067 2HB ARG 138 1HB ARG 138 -7.803 -19.274 -19.274 1068 1HG ARG 138 2HG ARG 138 -9.704 -17.197 -17.197 1069 2HG ARG 138 1HG ARG 138 -10.171 -18.044 -18.044 1070 1HD ARG 138 2HD ARG 138 -11.533 -18.906 -18.906 1071 2HD ARG 138 1HD ARG 138 -10.341 -20.136 -20.136 1072 HE ARG 138 HE ARG 138 -9.636 -18.333 -18.333 1073 1HH1 ARG 138 2HH1 ARG 138 -10.869 -21.369 -21.369 1074 2HH1 ARG 138 1HH1 ARG 138 -10.531 -22.237 -22.237 1075 1HH2 ARG 138 1HH2 ARG 138 -9.198 -19.390 -19.390 1076 2HH2 ARG 138 2HH2 ARG 138 -9.568 -21.052 -21.052 1077 H VAL 139 H VAL 139 -6.483 -14.929 -14.929 1078 HA VAL 139 HA VAL 139 -8.486 -14.531 -14.531 1079 HB VAL 139 HB VAL 139 -9.159 -13.284 -13.284 1080 1HG1 VAL 139 1HG1 VAL 139 -6.856 -13.045 -13.045 1081 2HG1 VAL 139 3HG1 VAL 139 -6.464 -11.874 -11.874 1082 3HG1 VAL 139 2HG1 VAL 139 -7.689 -11.506 -11.506 1083 1HG2 VAL 139 2HG2 VAL 139 -9.557 -12.201 -12.201 1084 2HG2 VAL 139 1HG2 VAL 139 -9.256 -11.000 -11.000 1085 3HG2 VAL 139 3HG2 VAL 139 -8.003 -11.405 -11.405 1086 H GLY 140 H GLY 140 -5.409 -13.262 -13.262 1087 1HA GLY 140 2HA GLY 140 -3.574 -13.283 -13.283 1088 2HA GLY 140 1HA GLY 140 -4.749 -12.477 -12.477 1089 H HIS 141 H HIS 141 -5.888 -10.687 -10.687 1090 HA HIS 141 HA HIS 141 -3.681 -8.992 -8.992 1091 1HB HIS 141 2HB HIS 141 -4.963 -7.010 -7.010 1092 2HB HIS 141 1HB HIS 141 -3.958 -8.076 -8.076 1093 HD1 HIS 141 HD1 HIS 141 -5.322 -9.961 -9.961 1094 HD2 HIS 141 HD2 HIS 141 -7.667 -6.998 -6.998 1095 HE1 HIS 141 HE1 HIS 141 -7.548 -10.150 -10.150 1096 H VAL 142 H VAL 142 -4.213 -7.483 -7.483 1097 HA VAL 142 HA VAL 142 -6.710 -8.083 -8.083 1098 HB VAL 142 HB VAL 142 -4.669 -8.175 -8.175 1099 1HG1 VAL 142 1HG1 VAL 142 -3.219 -6.613 -6.613 1100 2HG1 VAL 142 3HG1 VAL 142 -4.147 -5.251 -5.251 1101 3HG1 VAL 142 2HG1 VAL 142 -3.173 -6.183 -6.183 1102 1HG2 VAL 142 1HG2 VAL 142 -6.663 -7.304 -7.304 1103 2HG2 VAL 142 3HG2 VAL 142 -5.243 -6.544 -6.544 1104 3HG2 VAL 142 2HG2 VAL 142 -6.244 -5.663 -5.663 1105 H ASP 143 H ASP 143 -4.994 -5.378 -5.378 1106 HA ASP 143 HA ASP 143 -5.503 -3.361 -3.361 1107 1HB ASP 143 2HB ASP 143 -8.368 -4.054 -4.054 1108 2HB ASP 143 1HB ASP 143 -7.858 -2.691 -2.691 1109 H VAL 144 H VAL 144 -5.121 -1.574 -1.574 1110 HA VAL 144 HA VAL 144 -6.252 -0.454 -0.454 1111 HB VAL 144 HB VAL 144 -3.342 -0.185 -0.185 1112 1HG1 VAL 144 1HG1 VAL 144 -4.078 1.579 1.579 1113 2HG1 VAL 144 3HG1 VAL 144 -4.671 0.370 0.370 1114 3HG1 VAL 144 2HG1 VAL 144 -2.950 0.505 0.505 1115 1HG2 VAL 144 1HG2 VAL 144 -4.520 -2.213 -2.213 1116 2HG2 VAL 144 3HG2 VAL 144 -3.785 -2.584 -2.584 1117 3HG2 VAL 144 2HG2 VAL 144 -2.807 -1.912 -1.912 1118 HA PRO 145 HA PRO 145 -6.440 2.966 2.966 1119 1HB PRO 145 2HB PRO 145 -9.111 3.453 3.453 1120 2HB PRO 145 1HB PRO 145 -8.447 2.244 2.244 1121 1HG PRO 145 2HG PRO 145 -9.501 1.795 1.795 1122 2HG PRO 145 1HG PRO 145 -10.019 0.957 0.957 1123 1HD PRO 145 2HD PRO 145 -8.134 -0.195 -0.195 1124 2HD PRO 145 1HD PRO 145 -7.897 -0.216 -0.216 1125 HA PRO 146 HA PRO 146 -6.241 5.135 5.135 1126 1HB PRO 146 2HB PRO 146 -4.259 6.894 6.894 1127 2HB PRO 146 1HB PRO 146 -3.929 5.154 5.154 1128 1HG PRO 146 2HG PRO 146 -4.594 6.946 6.946 1129 2HG PRO 146 1HG PRO 146 -3.186 5.901 5.901 1130 1HD PRO 146 2HD PRO 146 -5.475 5.051 5.051 1131 2HD PRO 146 1HD PRO 146 -4.459 3.912 3.912 1132 H VAL 147 H VAL 147 -7.036 7.016 7.016 1133 HA VAL 147 HA VAL 147 -8.221 9.121 9.121 1134 HB VAL 147 HB VAL 147 -9.655 7.777 7.777 1135 1HG1 VAL 147 1HG1 VAL 147 -10.654 9.687 9.687 1136 2HG1 VAL 147 3HG1 VAL 147 -11.663 8.937 8.937 1137 3HG1 VAL 147 2HG1 VAL 147 -10.411 10.067 10.067 1138 1HG2 VAL 147 3HG2 VAL 147 -10.041 7.294 7.294 1139 2HG2 VAL 147 2HG2 VAL 147 -9.401 6.120 6.120 1140 3HG2 VAL 147 1HG2 VAL 147 -11.067 6.633 6.633 1141 HA PRO 148 HA PRO 148 -6.013 10.968 10.968 1142 1HB PRO 148 2HB PRO 148 -3.971 12.183 12.183 1143 2HB PRO 148 1HB PRO 148 -4.010 10.414 10.414 1144 1HG PRO 148 2HG PRO 148 -4.783 12.237 12.237 1145 2HG PRO 148 1HG PRO 148 -3.846 10.736 10.736 1146 1HD PRO 148 2HD PRO 148 -6.652 10.919 10.919 1147 2HD PRO 148 1HD PRO 148 -5.790 9.417 9.417 1148 H ASP 149 H ASP 149 -8.156 11.987 11.987 1149 HA ASP 149 HA ASP 149 -8.077 14.833 14.833 1150 1HB ASP 149 2HB ASP 149 -10.391 12.870 12.870 1151 2HB ASP 149 1HB ASP 149 -10.582 14.555 14.555 1152 H HIS 150 H HIS 150 -6.822 15.075 15.075 1153 HA HIS 150 HA HIS 150 -8.447 15.097 15.097 1154 1HB HIS 150 2HB HIS 150 -5.519 15.938 15.938 1155 2HB HIS 150 1HB HIS 150 -6.369 15.236 15.236 1156 HD1 HIS 150 HD1 HIS 150 -6.869 12.501 12.501 1157 HD2 HIS 150 HD2 HIS 150 -3.990 14.229 14.229 1158 HE1 HIS 150 HE1 HIS 150 -5.530 10.674 10.674 1159 H SER 151 H SER 151 -9.101 16.904 16.904 1160 HA SER 151 HA SER 151 -7.937 19.496 19.496 1161 1HB SER 151 2HB SER 151 -9.590 20.026 20.026 1162 2HB SER 151 1HB SER 151 -8.155 19.033 19.033 1163 HG SER 151 HG SER 151 -10.800 18.292 18.292 1164 H ASP 152 H ASP 152 -9.636 18.407 18.407 1165 HA ASP 152 HA ASP 152 -12.061 20.110 20.110 1166 1HB ASP 152 2HB ASP 152 -12.514 19.131 19.131 1167 2HB ASP 152 1HB ASP 152 -12.449 17.960 17.960 1168 H LYS 153 H LYS 153 -8.937 20.114 20.114 1169 HA LYS 153 HA LYS 153 -9.322 22.906 22.906 1170 1HB LYS 153 2HB LYS 153 -7.979 20.674 20.674 1171 2HB LYS 153 1HB LYS 153 -8.102 22.332 22.332 1172 1HG LYS 153 2HG LYS 153 -10.539 22.331 22.331 1173 2HG LYS 153 1HG LYS 153 -10.561 20.648 20.648 1174 1HD LYS 153 2HD LYS 153 -9.734 19.916 19.916 1175 2HD LYS 153 1HD LYS 153 -9.356 21.557 21.557 1176 1HE LYS 153 2HE LYS 153 -12.122 20.488 20.488 1177 2HE LYS 153 1HE LYS 153 -11.574 20.634 20.634 1178 1HZ LYS 153 1HZ LYS 153 -11.101 23.088 23.088 1179 2HZ LYS 153 3HZ LYS 153 -12.694 22.617 22.617 1180 3HZ LYS 153 2HZ LYS 153 -12.177 22.780 22.780 1181 H GLU 154 H GLU 154 -7.574 24.094 24.094 1182 HA GLU 154 HA GLU 154 -5.616 22.830 22.830 1183 1HB GLU 154 2HB GLU 154 -5.145 25.487 25.487 1184 2HB GLU 154 1HB GLU 154 -6.306 24.531 24.531 1185 1HG GLU 154 2HG GLU 154 -7.282 26.645 26.645 1186 2HG GLU 154 1HG GLU 154 -8.137 25.332 25.332 1187 H VAL 155 H VAL 155 -5.155 25.444 25.444 1188 HA VAL 155 HA VAL 155 -2.293 25.233 25.233 1189 HB VAL 155 HB VAL 155 -2.434 26.635 26.635 1190 1HG1 VAL 155 1HG1 VAL 155 -2.491 27.777 27.777 1191 2HG1 VAL 155 3HG1 VAL 155 -4.223 27.614 27.614 1192 3HG1 VAL 155 2HG1 VAL 155 -3.482 28.644 28.644 1193 1HG2 VAL 155 3HG2 VAL 155 -4.554 25.691 25.691 1194 2HG2 VAL 155 2HG2 VAL 155 -4.622 27.438 27.438 1195 3HG2 VAL 155 1HG2 VAL 155 -5.435 26.451 26.451 1196 H PHE 156 H PHE 156 -4.707 23.517 23.517 1197 HA PHE 156 HA PHE 156 -3.303 22.281 22.281 1198 1HB PHE 156 2HB PHE 156 -5.982 21.527 21.527 1199 2HB PHE 156 1HB PHE 156 -5.521 21.089 21.089 1200 HD1 PHE 156 HD1 PHE 156 -6.510 23.911 23.911 1201 HD2 PHE 156 HD2 PHE 156 -6.016 22.584 22.584 1202 HE1 PHE 156 HE1 PHE 156 -7.730 25.849 25.849 1203 HE2 PHE 156 HE2 PHE 156 -7.251 24.554 24.554 1204 HZ PHE 156 HZ PHE 156 -8.111 26.206 26.206 1205 H GLN 157 H GLN 157 -5.069 20.962 20.962 1206 HA GLN 157 HA GLN 157 -3.942 18.445 18.445 1207 1HB GLN 157 2HB GLN 157 -4.400 18.270 18.270 1208 2HB GLN 157 1HB GLN 157 -5.725 19.059 19.059 1209 1HG GLN 157 2HG GLN 157 -5.501 20.292 20.292 1210 2HG GLN 157 1HG GLN 157 -4.584 21.242 21.242 1211 1HE2 GLN 157 2HE2 GLN 157 -1.798 21.121 21.121 1212 2HE2 GLN 157 1HE2 GLN 157 -2.745 22.025 22.025 1213 H LYS 158 H LYS 158 -2.385 21.281 21.281 1214 HA LYS 158 HA LYS 158 -0.334 19.716 19.716 1215 1HB LYS 158 2HB LYS 158 -0.759 22.466 22.466 1216 2HB LYS 158 1HB LYS 158 0.557 22.354 22.354 1217 1HG LYS 158 2HG LYS 158 1.948 21.111 21.111 1218 2HG LYS 158 1HG LYS 158 0.668 21.174 21.174 1219 1HD LYS 158 2HD LYS 158 0.777 23.758 23.758 1220 2HD LYS 158 1HD LYS 158 2.280 23.536 23.536 1221 1HE LYS 158 2HE LYS 158 1.656 22.699 22.699 1222 2HE LYS 158 1HE LYS 158 2.767 23.950 23.950 1223 1HZ LYS 158 3HZ LYS 158 3.567 21.552 21.552 1224 2HZ LYS 158 2HZ LYS 158 3.318 21.218 21.218 1225 3HZ LYS 158 1HZ LYS 158 4.386 22.444 22.444 1226 H LYS 159 H LYS 159 -0.869 20.001 20.001 1227 HA LYS 159 HA LYS 159 1.859 18.891 18.891 1228 1HB LYS 159 2HB LYS 159 0.068 20.263 20.263 1229 2HB LYS 159 1HB LYS 159 1.777 19.932 19.932 1230 1HG LYS 159 2HG LYS 159 2.147 21.539 21.539 1231 2HG LYS 159 1HG LYS 159 0.470 22.013 22.013 1232 1HD LYS 159 2HD LYS 159 1.016 22.418 22.418 1233 2HD LYS 159 1HD LYS 159 2.698 22.252 22.252 1234 1HE LYS 159 2HE LYS 159 2.146 24.610 24.610 1235 2HE LYS 159 1HE LYS 159 2.361 24.095 24.095 1236 1HZ LYS 159 3HZ LYS 159 -0.356 23.644 23.644 1237 2HZ LYS 159 2HZ LYS 159 0.070 25.199 25.199 1238 3HZ LYS 159 1HZ LYS 159 0.210 24.691 24.691 1239 H LYS 160 H LYS 160 -1.474 18.958 18.958 1240 HA LYS 160 HA LYS 160 -1.645 16.603 16.603 1241 1HB LYS 160 2HB LYS 160 -3.419 17.880 17.880 1242 2HB LYS 160 1HB LYS 160 -3.233 18.909 18.909 1243 1HG LYS 160 2HG LYS 160 -4.482 17.101 17.101 1244 2HG LYS 160 1HG LYS 160 -4.918 16.407 16.407 1245 1HD LYS 160 2HD LYS 160 -6.035 18.447 18.447 1246 2HD LYS 160 1HD LYS 160 -5.499 19.252 19.252 1247 1HE LYS 160 2HE LYS 160 -6.631 17.443 17.443 1248 2HE LYS 160 1HE LYS 160 -7.167 16.757 16.757 1249 1HZ LYS 160 1HZ LYS 160 -7.969 19.439 19.439 1250 2HZ LYS 160 3HZ LYS 160 -8.381 18.751 18.751 1251 3HZ LYS 160 2HZ LYS 160 -8.894 18.009 18.009 1252 H LEU 161 H LEU 161 -1.349 17.040 17.040 1253 HA LEU 161 HA LEU 161 -3.060 15.384 15.384 1254 1HB LEU 161 2HB LEU 161 -0.947 16.488 16.488 1255 2HB LEU 161 1HB LEU 161 -0.021 15.139 15.139 1256 HG LEU 161 HG LEU 161 -2.422 14.239 14.239 1257 1HD1 LEU 161 3HD1 LEU 161 -0.255 15.810 15.810 1258 2HD1 LEU 161 2HD1 LEU 161 -1.527 14.860 14.860 1259 3HD1 LEU 161 1HD1 LEU 161 -1.936 16.302 16.302 1260 1HD2 LEU 161 2HD2 LEU 161 -0.554 12.706 12.706 1261 2HD2 LEU 161 1HD2 LEU 161 -0.796 12.766 12.766 1262 3HD2 LEU 161 3HD2 LEU 161 0.551 13.630 13.630 1263 H GLY 162 H GLY 162 -0.645 14.392 14.392 1264 1HA GLY 162 2HA GLY 162 -1.359 11.531 11.531 1265 2HA GLY 162 1HA GLY 162 0.053 12.105 12.105 1266 H CYS 163 H CYS 163 -1.746 14.143 14.143 1267 HA CYS 163 HA CYS 163 -2.313 12.643 12.643 1268 1HB CYS 163 2HB CYS 163 -2.663 14.682 14.682 1269 2HB CYS 163 1HB CYS 163 -1.812 15.242 15.242 1270 H GLN 164 H GLN 164 -4.463 14.157 14.157 1271 HA GLN 164 HA GLN 164 -6.834 13.147 13.147 1272 1HB GLN 164 2HB GLN 164 -6.329 14.443 14.443 1273 2HB GLN 164 1HB GLN 164 -7.350 13.021 13.021 1274 1HG GLN 164 2HG GLN 164 -8.836 13.722 13.722 1275 2HG GLN 164 1HG GLN 164 -7.849 15.075 15.075 1276 1HE2 GLN 164 2HE2 GLN 164 -9.808 15.461 15.461 1277 2HE2 GLN 164 1HE2 GLN 164 -8.859 14.083 14.083 1278 H LEU 165 H LEU 165 -4.475 11.755 11.755 1279 HA LEU 165 HA LEU 165 -5.916 9.263 9.263 1280 1HB LEU 165 2HB LEU 165 -3.006 10.102 10.102 1281 2HB LEU 165 1HB LEU 165 -3.534 8.452 8.452 1282 HG LEU 165 HG LEU 165 -4.930 10.817 10.817 1283 1HD1 LEU 165 1HD1 LEU 165 -2.537 10.683 10.683 1284 2HD1 LEU 165 3HD1 LEU 165 -2.768 8.994 8.994 1285 3HD1 LEU 165 2HD1 LEU 165 -3.687 10.244 10.244 1286 1HD2 LEU 165 2HD2 LEU 165 -6.186 8.559 8.559 1287 2HD2 LEU 165 1HD2 LEU 165 -5.806 9.010 9.010 1288 3HD2 LEU 165 3HD2 LEU 165 -4.807 7.827 7.827 1289 H LEU 166 H LEU 166 -3.449 10.580 10.580 1290 HA LEU 166 HA LEU 166 -3.341 7.998 7.998 1291 1HB LEU 166 2HB LEU 166 -2.512 10.753 10.753 1292 2HB LEU 166 1HB LEU 166 -2.821 9.684 9.684 1293 HG LEU 166 HG LEU 166 -0.421 9.534 9.534 1294 1HD1 LEU 166 1HD1 LEU 166 -2.109 6.982 6.982 1295 2HD1 LEU 166 3HD1 LEU 166 -0.387 6.995 6.995 1296 3HD1 LEU 166 2HD1 LEU 166 -1.339 7.565 7.565 1297 1HD2 LEU 166 2HD2 LEU 166 -1.596 8.301 8.301 1298 2HD2 LEU 166 1HD2 LEU 166 -0.700 9.810 9.810 1299 3HD2 LEU 166 3HD2 LEU 166 0.101 8.293 8.293 1300 H GLY 167 H GLY 167 -5.542 10.726 10.726 1301 1HA GLY 167 2HA GLY 167 -6.961 9.847 9.847 1302 2HA GLY 167 1HA GLY 167 -7.705 10.649 10.649 1303 H THR 168 H THR 168 -7.724 9.145 9.145 1304 HA THR 168 HA THR 168 -9.742 7.129 7.129 1305 HB THR 168 HB THR 168 -8.658 6.453 6.453 1306 HG1 THR 168 HG1 THR 168 -7.775 9.121 9.121 1307 1HG2 THR 168 3HG2 THR 168 -10.064 9.050 9.050 1308 2HG2 THR 168 2HG2 THR 168 -9.919 8.246 8.246 1309 3HG2 THR 168 1HG2 THR 168 -10.834 7.495 7.495 1310 H TYR 169 H TYR 169 -6.495 6.823 6.823 1311 HA TYR 169 HA TYR 169 -5.836 4.215 4.215 1312 1HB TYR 169 2HB TYR 169 -4.235 6.006 6.006 1313 2HB TYR 169 1HB TYR 169 -4.229 6.374 6.374 1314 HD1 TYR 169 HD1 TYR 169 -3.076 3.985 3.985 1315 HD2 TYR 169 HD2 TYR 169 -2.887 5.147 5.147 1316 HE1 TYR 169 HE1 TYR 169 -1.105 2.536 2.536 1317 HE2 TYR 169 HE2 TYR 169 -0.924 3.711 3.711 1318 HH TYR 169 HH TYR 169 0.850 3.093 3.093 1319 H LYS 170 H LYS 170 -5.406 6.136 6.136 1320 HA LYS 170 HA LYS 170 -4.893 3.935 3.935 1321 1HB LYS 170 2HB LYS 170 -4.637 6.380 6.380 1322 2HB LYS 170 1HB LYS 170 -6.381 6.468 6.468 1323 1HG LYS 170 2HG LYS 170 -5.090 4.272 4.272 1324 2HG LYS 170 1HG LYS 170 -4.535 5.854 5.854 1325 1HD LYS 170 2HD LYS 170 -7.460 4.990 4.990 1326 2HD LYS 170 1HD LYS 170 -6.490 5.030 5.030 1327 1HE LYS 170 2HE LYS 170 -7.081 7.215 7.215 1328 2HE LYS 170 1HE LYS 170 -6.090 7.593 7.593 1329 1HZ LYS 170 3HZ LYS 170 -8.589 6.572 6.572 1330 2HZ LYS 170 2HZ LYS 170 -8.892 7.705 7.705 1331 3HZ LYS 170 1HZ LYS 170 -7.960 8.154 8.154 1332 H GLN 171 H GLN 171 -8.043 5.165 5.165 1333 HA GLN 171 HA GLN 171 -9.299 3.201 3.201 1334 1HB GLN 171 2HB GLN 171 -10.103 5.702 5.702 1335 2HB GLN 171 1HB GLN 171 -11.068 4.557 4.557 1336 1HG GLN 171 2HG GLN 171 -12.258 5.201 5.201 1337 2HG GLN 171 1HG GLN 171 -11.819 3.498 3.498 1338 1HE2 GLN 171 2HE2 GLN 171 -10.008 4.013 4.013 1339 2HE2 GLN 171 1HE2 GLN 171 -10.878 2.945 2.945 1340 H VAL 172 H VAL 172 -8.641 3.411 3.411 1341 HA VAL 172 HA VAL 172 -10.368 1.070 1.070 1342 HB VAL 172 HB VAL 172 -9.564 1.589 1.589 1343 1HG1 VAL 172 3HG1 VAL 172 -10.039 4.089 4.089 1344 2HG1 VAL 172 2HG1 VAL 172 -10.146 4.039 4.039 1345 3HG1 VAL 172 1HG1 VAL 172 -11.260 3.096 3.096 1346 1HG2 VAL 172 2HG2 VAL 172 -7.571 3.377 3.377 1347 2HG2 VAL 172 1HG2 VAL 172 -7.144 1.877 1.877 1348 3HG2 VAL 172 3HG2 VAL 172 -7.799 3.228 3.228 1349 H ILE 173 H ILE 173 -6.896 1.782 1.782 1350 HA ILE 173 HA ILE 173 -5.733 -0.738 -0.738 1351 HB ILE 173 HB ILE 173 -5.008 1.508 1.508 1352 1HG1 ILE 173 2HG1 ILE 173 -5.047 1.775 1.775 1353 2HG1 ILE 173 1HG1 ILE 173 -3.692 2.358 2.358 1354 1HG2 ILE 173 2HG2 ILE 173 -3.378 -0.954 -0.954 1355 2HG2 ILE 173 1HG2 ILE 173 -2.741 0.443 0.443 1356 3HG2 ILE 173 3HG2 ILE 173 -3.974 -0.567 -0.567 1357 1HD1 ILE 173 1HD1 ILE 173 -3.688 -0.407 -0.407 1358 2HD1 ILE 173 3HD1 ILE 173 -3.070 1.030 1.030 1359 3HD1 ILE 173 2HD1 ILE 173 -2.356 0.509 0.509 1360 H SER 174 H SER 174 -7.068 0.751 0.751 1361 HA SER 174 HA SER 174 -6.742 -1.486 -1.486 1362 1HB SER 174 2HB SER 174 -8.799 -0.405 -0.405 1363 2HB SER 174 1HB SER 174 -7.320 0.554 0.554 1364 HG SER 174 HG SER 174 -9.238 0.646 0.646 1365 H VAL 175 H VAL 175 -8.696 -1.320 -1.320 1366 HA VAL 175 HA VAL 175 -10.593 -3.454 -3.454 1367 HB VAL 175 HB VAL 175 -10.688 -1.372 -1.372 1368 1HG1 VAL 175 1HG1 VAL 175 -12.568 -3.732 -3.732 1369 2HG1 VAL 175 3HG1 VAL 175 -12.823 -2.385 -2.385 1370 3HG1 VAL 175 2HG1 VAL 175 -11.482 -3.480 -3.480 1371 1HG2 VAL 175 2HG2 VAL 175 -11.350 -0.699 -0.699 1372 2HG2 VAL 175 1HG2 VAL 175 -12.718 -0.674 -0.674 1373 3HG2 VAL 175 3HG2 VAL 175 -12.533 -2.002 -2.002 1374 H VAL 176 H VAL 176 -8.035 -2.613 -2.613 1375 HA VAL 176 HA VAL 176 -8.614 -5.035 -5.035 1376 HB VAL 176 HB VAL 176 -6.795 -4.426 -4.426 1377 1HG1 VAL 176 3HG1 VAL 176 -9.152 -3.595 -3.595 1378 2HG1 VAL 176 2HG1 VAL 176 -8.771 -2.207 -2.207 1379 3HG1 VAL 176 1HG1 VAL 176 -8.020 -2.410 -2.410 1380 1HG2 VAL 176 3HG2 VAL 176 -5.482 -3.186 -3.186 1381 2HG2 VAL 176 2HG2 VAL 176 -5.813 -2.133 -2.133 1382 3HG2 VAL 176 1HG2 VAL 176 -6.840 -2.076 -2.076 1383 H VAL 177 H VAL 177 -6.307 -3.738 -3.738 1384 HA VAL 177 HA VAL 177 -4.282 -5.736 -5.736 1385 HB VAL 177 HB VAL 177 -4.365 -3.273 -3.273 1386 1HG1 VAL 177 1HG1 VAL 177 -6.336 -3.514 -3.514 1387 2HG1 VAL 177 3HG1 VAL 177 -5.333 -4.563 -4.563 1388 3HG1 VAL 177 2HG1 VAL 177 -4.907 -2.889 -2.889 1389 1HG2 VAL 177 2HG2 VAL 177 -3.128 -5.363 -5.363 1390 2HG2 VAL 177 1HG2 VAL 177 -2.398 -4.655 -4.655 1391 3HG2 VAL 177 3HG2 VAL 177 -2.749 -3.660 -3.660 1392 H GLN 178 H GLN 178 -7.422 -5.305 -5.305 1393 HA GLN 178 HA GLN 178 -7.238 -7.890 -7.890 1394 1HB GLN 178 2HB GLN 178 -9.188 -5.587 -5.587 1395 2HB GLN 178 1HB GLN 178 -9.329 -7.117 -7.117 1396 1HG GLN 178 2HG GLN 178 -6.979 -5.181 -5.181 1397 2HG GLN 178 1HG GLN 178 -8.218 -5.446 -5.446 1398 1HE2 GLN 178 2HE2 GLN 178 -6.410 -8.039 -8.039 1399 2HE2 GLN 178 1HE2 GLN 178 -7.523 -6.766 -6.766 1400 H ALA 179 H ALA 179 -7.586 -7.414 -7.414 1401 HA ALA 179 HA ALA 179 -10.258 -8.683 -8.683 1402 1HB ALA 179 2HB ALA 179 -8.231 -7.473 -7.473 1403 2HB ALA 179 1HB ALA 179 -9.801 -8.119 -8.119 1404 3HB ALA 179 3HB ALA 179 -9.702 -6.674 -6.674 1405 H PHE 180 H PHE 180 -6.829 -8.733 -8.733 1406 HA PHE 180 HA PHE 180 -6.805 -11.671 -11.671 1407 1HB PHE 180 2HB PHE 180 -4.898 -11.201 -11.201 1408 2HB PHE 180 1HB PHE 180 -6.482 -10.655 -10.655 1409 HD1 PHE 180 HD2 PHE 180 -3.331 -9.351 -9.351 1410 HD2 PHE 180 HD1 PHE 180 -6.850 -8.391 -8.391 1411 HE1 PHE 180 HE2 PHE 180 -2.554 -7.072 -7.072 1412 HE2 PHE 180 HE1 PHE 180 -6.100 -6.180 -6.180 1413 HZ PHE 180 HZ PHE 180 -3.858 -5.477 -5.477 Start of MODEL 19 1 1H SER 1 3H SER 1 6.449 -9.338 -9.338 2 2H SER 1 2H SER 1 7.716 -10.094 -10.094 3 3H SER 1 1H SER 1 6.132 -10.668 -10.668 4 HA SER 1 HA SER 1 6.532 -12.092 -12.092 5 1HB SER 1 2HB SER 1 9.200 -10.694 -10.694 6 2HB SER 1 1HB SER 1 8.848 -12.435 -12.435 7 HG SER 1 HG SER 1 9.472 -12.243 -12.243 8 HA PRO 2 HA PRO 2 5.579 -8.440 -8.440 9 1HB PRO 2 2HB PRO 2 2.919 -8.467 -8.467 10 2HB PRO 2 1HB PRO 2 3.686 -8.104 -8.104 11 1HG PRO 2 2HG PRO 2 2.623 -10.805 -10.805 12 2HG PRO 2 1HG PRO 2 2.249 -10.019 -10.019 13 1HD PRO 2 2HD PRO 2 4.244 -11.935 -11.935 14 2HD PRO 2 1HD PRO 2 4.319 -10.630 -10.630 15 H LEU 3 H LEU 3 6.725 -10.391 -10.391 16 HA LEU 3 HA LEU 3 5.866 -12.141 -12.141 17 1HB LEU 3 2HB LEU 3 7.853 -9.917 -9.917 18 2HB LEU 3 1HB LEU 3 7.465 -10.884 -10.884 19 HG LEU 3 HG LEU 3 9.481 -11.699 -11.699 20 1HD1 LEU 3 3HD1 LEU 3 8.120 -13.356 -13.356 21 2HD1 LEU 3 2HD1 LEU 3 7.159 -13.684 -13.684 22 3HD1 LEU 3 1HD1 LEU 3 8.861 -14.087 -14.087 23 1HD2 LEU 3 2HD2 LEU 3 8.901 -11.050 -11.050 24 2HD2 LEU 3 1HD2 LEU 3 9.306 -12.751 -12.751 25 3HD2 LEU 3 3HD2 LEU 3 7.629 -12.268 -12.268 26 HA PRO 4 HA PRO 4 4.220 -9.719 -9.719 27 1HB PRO 4 2HB PRO 4 4.127 -7.035 -7.035 28 2HB PRO 4 1HB PRO 4 5.692 -7.857 -7.857 29 1HG PRO 4 2HG PRO 4 4.334 -6.654 -6.654 30 2HG PRO 4 1HG PRO 4 5.960 -6.306 -6.306 31 1HD PRO 4 2HD PRO 4 5.545 -8.195 -8.195 32 2HD PRO 4 1HD PRO 4 6.805 -8.437 -8.437 33 H ILE 5 H ILE 5 2.617 -10.734 -10.734 34 HA ILE 5 HA ILE 5 0.464 -8.874 -8.874 35 HB ILE 5 HB ILE 5 1.348 -10.595 -10.595 36 1HG1 ILE 5 2HG1 ILE 5 -0.824 -11.695 -11.695 37 2HG1 ILE 5 1HG1 ILE 5 -1.576 -11.038 -11.038 38 1HG2 ILE 5 1HG2 ILE 5 1.957 -12.389 -12.389 39 2HG2 ILE 5 3HG2 ILE 5 0.268 -12.683 -12.683 40 3HG2 ILE 5 2HG2 ILE 5 0.892 -13.013 -13.013 41 1HD1 ILE 5 1HD1 ILE 5 -0.220 -9.389 -9.389 42 2HD1 ILE 5 3HD1 ILE 5 -1.951 -9.562 -9.562 43 3HD1 ILE 5 2HD1 ILE 5 -1.000 -8.716 -8.716 44 H THR 6 H THR 6 0.518 -8.638 -8.638 45 HA THR 6 HA THR 6 -1.222 -8.331 -8.331 46 HB THR 6 HB THR 6 -2.151 -11.237 -11.237 47 HG1 THR 6 HG1 THR 6 -2.648 -10.203 -10.203 48 1HG2 THR 6 3HG2 THR 6 -3.686 -8.834 -8.834 49 2HG2 THR 6 2HG2 THR 6 -4.278 -10.471 -10.471 50 3HG2 THR 6 1HG2 THR 6 -3.073 -10.129 -10.129 51 HA PRO 7 HA PRO 7 0.938 -10.736 -10.736 52 1HB PRO 7 2HB PRO 7 -0.532 -10.006 -10.006 53 2HB PRO 7 1HB PRO 7 0.588 -8.863 -8.863 54 1HG PRO 7 2HG PRO 7 -2.423 -9.190 -9.190 55 2HG PRO 7 1HG PRO 7 -1.579 -7.708 -7.708 56 1HD PRO 7 2HD PRO 7 -2.079 -8.224 -8.224 57 2HD PRO 7 1HD PRO 7 -0.518 -7.508 -7.508 58 H VAL 8 H VAL 8 0.396 -12.698 -12.698 59 HA VAL 8 HA VAL 8 -1.528 -14.335 -14.335 60 HB VAL 8 HB VAL 8 0.420 -15.160 -15.160 61 1HG1 VAL 8 2HG1 VAL 8 0.013 -13.712 -13.712 62 2HG1 VAL 8 1HG1 VAL 8 -1.456 -14.629 -14.629 63 3HG1 VAL 8 3HG1 VAL 8 0.080 -15.424 -15.424 64 1HG2 VAL 8 1HG2 VAL 8 -2.322 -16.315 -16.315 65 2HG2 VAL 8 3HG2 VAL 8 -1.324 -16.716 -16.716 66 3HG2 VAL 8 2HG2 VAL 8 -0.796 -17.151 -17.151 67 H ASN 9 H ASN 9 -1.774 -12.735 -12.735 68 HA ASN 9 HA ASN 9 -4.712 -12.566 -12.566 69 1HB ASN 9 2HB ASN 9 -3.354 -13.669 -13.669 70 2HB ASN 9 1HB ASN 9 -5.042 -13.267 -13.267 71 1HD2 ASN 9 2HD2 ASN 9 -5.731 -16.149 -16.149 72 2HD2 ASN 9 1HD2 ASN 9 -6.304 -14.590 -14.590 73 H ALA 10 H ALA 10 -2.653 -11.852 -11.852 74 HA ALA 10 HA ALA 10 -3.167 -8.922 -8.922 75 1HB ALA 10 1HB ALA 10 -3.027 -10.316 -10.316 76 2HB ALA 10 3HB ALA 10 -3.225 -8.599 -8.599 77 3HB ALA 10 2HB ALA 10 -4.474 -9.707 -9.707 78 H THR 11 H THR 11 -1.300 -10.606 -10.606 79 HA THR 11 HA THR 11 1.189 -9.787 -9.787 80 HB THR 11 HB THR 11 1.950 -9.229 -9.229 81 HG1 THR 11 HG1 THR 11 -0.818 -8.783 -8.783 82 1HG2 THR 11 3HG2 THR 11 0.648 -7.332 -7.332 83 2HG2 THR 11 2HG2 THR 11 1.723 -6.886 -6.886 84 3HG2 THR 11 1HG2 THR 11 2.317 -7.856 -7.856 85 H CYS 12 H CYS 12 -0.423 -12.103 -12.103 86 HA CYS 12 HA CYS 12 1.321 -13.492 -13.492 87 1HB CYS 12 2HB CYS 12 -0.164 -14.806 -14.806 88 2HB CYS 12 1HB CYS 12 0.340 -15.548 -15.548 89 H ALA 13 H ALA 13 1.268 -13.752 -13.752 90 HA ALA 13 HA ALA 13 3.434 -15.376 -15.376 91 1HB ALA 13 1HB ALA 13 2.494 -12.962 -12.962 92 2HB ALA 13 3HB ALA 13 3.576 -14.205 -14.205 93 3HB ALA 13 2HB ALA 13 1.938 -14.630 -14.630 94 H ILE 14 H ILE 14 3.634 -11.838 -11.838 95 HA ILE 14 HA ILE 14 6.605 -12.347 -12.347 96 HB ILE 14 HB ILE 14 6.634 -9.836 -9.836 97 1HG1 ILE 14 2HG1 ILE 14 4.813 -9.401 -9.401 98 2HG1 ILE 14 1HG1 ILE 14 3.895 -10.727 -10.727 99 1HG2 ILE 14 2HG2 ILE 14 6.027 -12.208 -12.208 100 2HG2 ILE 14 1HG2 ILE 14 6.779 -10.708 -10.708 101 3HG2 ILE 14 3HG2 ILE 14 7.597 -11.746 -11.746 102 1HD1 ILE 14 1HD1 ILE 14 3.870 -9.552 -9.552 103 2HD1 ILE 14 3HD1 ILE 14 4.768 -8.234 -8.234 104 3HD1 ILE 14 2HD1 ILE 14 3.148 -8.594 -8.594 105 H ARG 15 H ARG 15 4.624 -12.473 -12.473 106 HA ARG 15 HA ARG 15 5.387 -10.030 -10.030 107 1HB ARG 15 2HB ARG 15 2.982 -10.574 -10.574 108 2HB ARG 15 1HB ARG 15 3.225 -12.151 -12.151 109 1HG ARG 15 2HG ARG 15 3.946 -11.145 -11.145 110 2HG ARG 15 1HG ARG 15 4.073 -9.573 -9.573 111 1HD ARG 15 2HD ARG 15 1.469 -11.131 -11.131 112 2HD ARG 15 1HD ARG 15 1.950 -10.001 -10.001 113 HE ARG 15 HE ARG 15 0.784 -9.335 -9.335 114 1HH1 ARG 15 2HH1 ARG 15 3.238 -8.229 -8.229 115 2HH1 ARG 15 1HH1 ARG 15 3.027 -6.583 -6.583 116 1HH2 ARG 15 1HH2 ARG 15 0.543 -7.349 -7.349 117 2HH2 ARG 15 2HH2 ARG 15 1.398 -6.027 -6.027 118 H HIS 16 H HIS 16 4.515 -12.942 -12.942 119 HA HIS 16 HA HIS 16 7.285 -13.617 -13.617 120 1HB HIS 16 2HB HIS 16 5.270 -12.379 -12.379 121 2HB HIS 16 1HB HIS 16 5.977 -13.851 -13.851 122 HD1 HIS 16 HD1 HIS 16 7.792 -11.283 -11.283 123 HD2 HIS 16 HD2 HIS 16 7.872 -12.816 -12.816 124 HE1 HIS 16 HE1 HIS 16 9.772 -10.299 -10.299 125 HA PRO 17 HA PRO 17 5.506 -17.698 -17.698 126 1HB PRO 17 2HB PRO 17 7.415 -19.151 -19.151 127 2HB PRO 17 1HB PRO 17 7.823 -18.248 -18.248 128 1HG PRO 17 2HG PRO 17 8.222 -17.373 -17.373 129 2HG PRO 17 1HG PRO 17 9.444 -17.419 -17.419 130 1HD PRO 17 2HD PRO 17 8.022 -15.094 -15.094 131 2HD PRO 17 1HD PRO 17 8.561 -15.455 -15.455 132 H CYS 18 H CYS 18 4.248 -16.171 -16.171 133 HA CYS 18 HA CYS 18 3.587 -15.773 -15.773 134 1HB CYS 18 2HB CYS 18 1.905 -17.740 -17.740 135 2HB CYS 18 1HB CYS 18 1.300 -16.484 -16.484 136 H HIS 19 H HIS 19 1.578 -17.982 -17.982 137 HA HIS 19 HA HIS 19 1.310 -19.305 -19.305 138 1HB HIS 19 2HB HIS 19 3.995 -20.391 -20.391 139 2HB HIS 19 1HB HIS 19 2.862 -21.276 -21.276 140 HD1 HIS 19 HD1 HIS 19 3.577 -22.342 -22.342 141 HD2 HIS 19 HD2 HIS 19 0.256 -20.057 -20.057 142 HE1 HIS 19 HE1 HIS 19 1.978 -22.820 -22.820 143 H GLY 20 H GLY 20 3.538 -20.332 -20.332 144 1HA GLY 20 2HA GLY 20 5.339 -19.444 -19.444 145 2HA GLY 20 1HA GLY 20 4.791 -17.826 -17.826 146 H ASN 21 H ASN 21 3.124 -16.995 -16.995 147 HA ASN 21 HA ASN 21 2.234 -18.526 -18.526 148 1HB ASN 21 2HB ASN 21 3.446 -15.738 -15.738 149 2HB ASN 21 1HB ASN 21 2.375 -16.239 -16.239 150 1HD2 ASN 21 2HD2 ASN 21 5.483 -18.705 -18.705 151 2HD2 ASN 21 1HD2 ASN 21 4.302 -18.926 -18.926 152 H LEU 22 H LEU 22 1.717 -15.437 -15.437 153 HA LEU 22 HA LEU 22 -0.203 -14.222 -14.222 154 1HB LEU 22 2HB LEU 22 -1.061 -16.246 -16.246 155 2HB LEU 22 1HB LEU 22 -1.538 -17.023 -17.023 156 HG LEU 22 HG LEU 22 -3.343 -15.478 -15.478 157 1HD1 LEU 22 2HD1 LEU 22 -2.266 -13.739 -13.739 158 2HD1 LEU 22 1HD1 LEU 22 -3.721 -13.450 -13.450 159 3HD1 LEU 22 3HD1 LEU 22 -2.160 -13.350 -13.350 160 1HD2 LEU 22 1HD2 LEU 22 -3.841 -17.109 -17.109 161 2HD2 LEU 22 3HD2 LEU 22 -4.688 -15.602 -15.602 162 3HD2 LEU 22 2HD2 LEU 22 -3.255 -15.973 -15.973 163 H MET 23 H MET 23 -1.717 -16.545 -16.545 164 HA MET 23 HA MET 23 -3.253 -15.374 -15.374 165 1HB MET 23 2HB MET 23 -1.066 -17.384 -17.384 166 2HB MET 23 1HB MET 23 -2.217 -16.903 -16.903 167 1HG MET 23 2HG MET 23 -2.937 -18.019 -18.019 168 2HG MET 23 1HG MET 23 -2.931 -18.940 -18.940 169 1HE MET 23 1HE MET 23 -3.980 -18.249 -18.249 170 2HE MET 23 3HE MET 23 -5.333 -17.156 -17.156 171 3HE MET 23 2HE MET 23 -5.607 -18.847 -18.847 172 H ASN 24 H ASN 24 -0.039 -15.634 -15.634 173 HA ASN 24 HA ASN 24 -0.640 -13.022 -13.022 174 1HB ASN 24 2HB ASN 24 0.990 -13.790 -13.790 175 2HB ASN 24 1HB ASN 24 -0.300 -14.973 -14.973 176 1HD2 ASN 24 2HD2 ASN 24 3.384 -16.250 -16.250 177 2HD2 ASN 24 1HD2 ASN 24 2.975 -14.908 -14.908 178 H GLN 25 H GLN 25 0.498 -13.426 -13.426 179 HA GLN 25 HA GLN 25 3.309 -12.513 -12.513 180 1HB GLN 25 2HB GLN 25 2.168 -14.088 -14.088 181 2HB GLN 25 1HB GLN 25 1.834 -12.562 -12.562 182 1HG GLN 25 2HG GLN 25 4.657 -13.299 -13.299 183 2HG GLN 25 1HG GLN 25 4.051 -13.762 -13.762 184 1HE2 GLN 25 2HE2 GLN 25 3.969 -9.780 -9.780 185 2HE2 GLN 25 1HE2 GLN 25 2.759 -10.656 -10.656 186 H ILE 26 H ILE 26 0.319 -11.597 -11.597 187 HA ILE 26 HA ILE 26 1.031 -8.768 -8.768 188 HB ILE 26 HB ILE 26 -1.387 -8.520 -8.520 189 1HG1 ILE 26 2HG1 ILE 26 -1.378 -11.548 -11.548 190 2HG1 ILE 26 1HG1 ILE 26 -2.597 -10.394 -10.394 191 1HG2 ILE 26 1HG2 ILE 26 0.580 -8.610 -8.610 192 2HG2 ILE 26 3HG2 ILE 26 0.475 -10.369 -10.369 193 3HG2 ILE 26 2HG2 ILE 26 -0.792 -9.372 -9.372 194 1HD1 ILE 26 1HD1 ILE 26 -2.952 -9.951 -9.951 195 2HD1 ILE 26 3HD1 ILE 26 -1.835 -11.218 -11.218 196 3HD1 ILE 26 2HD1 ILE 26 -3.316 -11.607 -11.607 197 H LYS 27 H LYS 27 -0.708 -10.941 -10.941 198 HA LYS 27 HA LYS 27 -2.031 -8.736 -8.736 199 1HB LYS 27 2HB LYS 27 -2.668 -11.176 -11.176 200 2HB LYS 27 1HB LYS 27 -1.158 -11.363 -11.363 201 1HG LYS 27 2HG LYS 27 -1.795 -9.381 -9.381 202 2HG LYS 27 1HG LYS 27 -3.346 -9.373 -9.373 203 1HD LYS 27 2HD LYS 27 -3.991 -11.482 -11.482 204 2HD LYS 27 1HD LYS 27 -2.381 -11.900 -11.900 205 1HE LYS 27 2HE LYS 27 -4.071 -9.545 -9.545 206 2HE LYS 27 1HE LYS 27 -3.821 -11.045 -11.045 207 1HZ LYS 27 1HZ LYS 27 -1.316 -10.122 -10.122 208 2HZ LYS 27 3HZ LYS 27 -2.134 -8.767 -8.767 209 3HZ LYS 27 2HZ LYS 27 -1.912 -10.161 -10.161 210 H ASN 28 H ASN 28 0.883 -10.677 -10.677 211 HA ASN 28 HA ASN 28 1.866 -9.232 -9.232 212 1HB ASN 28 2HB ASN 28 2.820 -11.391 -11.391 213 2HB ASN 28 1HB ASN 28 3.554 -10.488 -10.488 214 1HD2 ASN 28 2HD2 ASN 28 6.111 -9.212 -9.212 215 2HD2 ASN 28 1HD2 ASN 28 5.435 -9.148 -9.148 216 H GLN 29 H GLN 29 2.535 -8.743 -8.743 217 HA GLN 29 HA GLN 29 4.255 -6.496 -6.496 218 1HB GLN 29 2HB GLN 29 4.120 -7.825 -7.825 219 2HB GLN 29 1HB GLN 29 2.493 -7.256 -7.256 220 1HG GLN 29 2HG GLN 29 3.890 -5.830 -5.830 221 2HG GLN 29 1HG GLN 29 3.523 -4.832 -4.832 222 1HE2 GLN 29 2HE2 GLN 29 7.315 -5.412 -5.412 223 2HE2 GLN 29 1HE2 GLN 29 6.056 -5.487 -5.487 224 H LEU 30 H LEU 30 0.913 -6.513 -6.513 225 HA LEU 30 HA LEU 30 0.372 -3.827 -3.827 226 1HB LEU 30 2HB LEU 30 -1.078 -5.912 -5.912 227 2HB LEU 30 1HB LEU 30 -1.650 -5.784 -5.784 228 HG LEU 30 HG LEU 30 -3.206 -4.611 -4.611 229 1HD1 LEU 30 3HD1 LEU 30 -2.347 -2.941 -2.941 230 2HD1 LEU 30 2HD1 LEU 30 -1.233 -2.345 -2.345 231 3HD1 LEU 30 1HD1 LEU 30 -2.949 -2.255 -2.255 232 1HD2 LEU 30 1HD2 LEU 30 -0.885 -3.550 -3.550 233 2HD2 LEU 30 3HD2 LEU 30 -1.995 -4.826 -4.826 234 3HD2 LEU 30 2HD2 LEU 30 -2.573 -3.184 -3.184 235 H ALA 31 H ALA 31 0.268 -5.820 -5.820 236 HA ALA 31 HA ALA 31 -0.677 -3.907 -3.907 237 1HB ALA 31 3HB ALA 31 -0.131 -6.207 -6.207 238 2HB ALA 31 2HB ALA 31 1.590 -5.839 -5.839 239 3HB ALA 31 1HB ALA 31 0.644 -5.050 -5.050 240 H GLN 32 H GLN 32 2.520 -4.397 -4.397 241 HA GLN 32 HA GLN 32 3.905 -2.373 -2.373 242 1HB GLN 32 2HB GLN 32 4.483 -4.343 -4.343 243 2HB GLN 32 1HB GLN 32 4.850 -2.844 -2.844 244 1HG GLN 32 2HG GLN 32 5.963 -3.435 -3.435 245 2HG GLN 32 1HG GLN 32 6.751 -4.044 -4.044 246 1HE2 GLN 32 2HE2 GLN 32 8.295 -0.968 -0.968 247 2HE2 GLN 32 1HE2 GLN 32 8.282 -2.651 -2.651 248 H LEU 33 H LEU 33 1.992 -2.259 -2.259 249 HA LEU 33 HA LEU 33 2.526 0.583 0.583 250 1HB LEU 33 2HB LEU 33 0.559 -1.433 -1.433 251 2HB LEU 33 1HB LEU 33 0.581 0.224 0.224 252 HG LEU 33 HG LEU 33 3.022 -0.100 -0.100 253 1HD1 LEU 33 3HD1 LEU 33 2.393 -3.057 -3.057 254 2HD1 LEU 33 2HD1 LEU 33 3.824 -2.470 -2.470 255 3HD1 LEU 33 1HD1 LEU 33 3.569 -2.125 -2.125 256 1HD2 LEU 33 1HD2 LEU 33 0.968 -1.921 -1.921 257 2HD2 LEU 33 3HD2 LEU 33 1.194 -0.210 -0.210 258 3HD2 LEU 33 2HD2 LEU 33 2.451 -1.364 -1.364 259 H ASN 34 H ASN 34 0.206 -1.268 -1.268 260 HA ASN 34 HA ASN 34 -1.870 0.729 0.729 261 1HB ASN 34 2HB ASN 34 -2.037 -1.845 -1.845 262 2HB ASN 34 1HB ASN 34 -1.166 -1.639 -1.639 263 1HD2 ASN 34 2HD2 ASN 34 -4.165 -1.322 -1.322 264 2HD2 ASN 34 1HD2 ASN 34 -2.713 -2.179 -2.179 265 H GLY 35 H GLY 35 0.571 -0.538 -0.538 266 1HA GLY 35 2HA GLY 35 0.320 1.136 1.136 267 2HA GLY 35 1HA GLY 35 1.890 0.568 0.568 268 H SER 36 H SER 36 1.987 1.795 1.795 269 HA SER 36 HA SER 36 2.728 4.490 4.490 270 1HB SER 36 2HB SER 36 3.592 4.527 4.527 271 2HB SER 36 1HB SER 36 4.114 3.097 3.097 272 HG SER 36 HG SER 36 2.837 3.052 3.052 273 H ALA 37 H ALA 37 0.359 3.055 3.055 274 HA ALA 37 HA ALA 37 -0.865 5.162 5.162 275 1HB ALA 37 3HB ALA 37 -1.837 2.794 2.794 276 2HB ALA 37 2HB ALA 37 -2.457 3.154 3.154 277 3HB ALA 37 1HB ALA 37 -3.019 4.062 4.062 278 H ASN 38 H ASN 38 -1.218 4.447 4.447 279 HA ASN 38 HA ASN 38 -2.758 6.994 6.994 280 1HB ASN 38 2HB ASN 38 -3.316 4.803 4.803 281 2HB ASN 38 1HB ASN 38 -1.891 5.113 5.113 282 1HD2 ASN 38 2HD2 ASN 38 -3.907 8.378 8.378 283 2HD2 ASN 38 1HD2 ASN 38 -2.752 8.261 8.261 284 H ALA 39 H ALA 39 0.335 5.546 5.546 285 HA ALA 39 HA ALA 39 1.235 8.007 8.007 286 1HB ALA 39 3HB ALA 39 2.200 5.675 5.675 287 2HB ALA 39 2HB ALA 39 2.858 5.621 5.621 288 3HB ALA 39 1HB ALA 39 3.473 6.795 6.795 289 H LEU 40 H LEU 40 2.448 6.452 6.452 290 HA LEU 40 HA LEU 40 4.029 8.491 8.491 291 1HB LEU 40 2HB LEU 40 3.926 6.391 6.391 292 2HB LEU 40 1HB LEU 40 2.194 6.503 6.503 293 HG LEU 40 HG LEU 40 4.068 7.027 7.027 294 1HD1 LEU 40 2HD1 LEU 40 1.391 8.462 8.462 295 2HD1 LEU 40 1HD1 LEU 40 2.258 8.294 8.294 296 3HD1 LEU 40 3HD1 LEU 40 1.667 6.866 6.866 297 1HD2 LEU 40 3HD2 LEU 40 4.960 9.101 9.101 298 2HD2 LEU 40 2HD2 LEU 40 4.184 9.458 9.458 299 3HD2 LEU 40 1HD2 LEU 40 3.323 9.720 9.720 300 H PHE 41 H PHE 41 0.508 7.984 7.984 301 HA PHE 41 HA PHE 41 -0.160 10.244 10.244 302 1HB PHE 41 2HB PHE 41 -2.012 8.838 8.838 303 2HB PHE 41 1HB PHE 41 -1.629 9.361 9.361 304 HD1 PHE 41 HD1 PHE 41 -1.353 11.946 11.946 305 HD2 PHE 41 HD2 PHE 41 -4.081 9.991 9.991 306 HE1 PHE 41 HE1 PHE 41 -2.906 13.727 13.727 307 HE2 PHE 41 HE2 PHE 41 -5.682 11.863 11.863 308 HZ PHE 41 HZ PHE 41 -5.053 13.702 13.702 309 H ILE 42 H ILE 42 -0.036 10.336 10.336 310 HA ILE 42 HA ILE 42 -0.167 13.125 13.125 311 HB ILE 42 HB ILE 42 0.590 10.941 10.941 312 1HG1 ILE 42 2HG1 ILE 42 -1.284 12.037 12.037 313 2HG1 ILE 42 1HG1 ILE 42 -1.454 13.216 13.216 314 1HG2 ILE 42 2HG2 ILE 42 0.985 13.875 13.875 315 2HG2 ILE 42 1HG2 ILE 42 1.017 12.572 12.572 316 3HG2 ILE 42 3HG2 ILE 42 2.243 12.645 12.645 317 1HD1 ILE 42 1HD1 ILE 42 -1.976 11.358 11.358 318 2HD1 ILE 42 3HD1 ILE 42 -1.851 10.237 10.237 319 3HD1 ILE 42 2HD1 ILE 42 -3.120 11.438 11.438 320 H SER 43 H SER 43 2.530 11.012 11.012 321 HA SER 43 HA SER 43 4.558 13.007 13.007 322 1HB SER 43 2HB SER 43 4.911 10.296 10.296 323 2HB SER 43 1HB SER 43 6.121 11.142 11.142 324 HG SER 43 HG SER 43 3.795 9.789 9.789 325 H TYR 44 H TYR 44 2.724 12.170 12.170 326 HA TYR 44 HA TYR 44 4.534 13.151 13.151 327 1HB TYR 44 2HB TYR 44 3.474 11.335 11.335 328 2HB TYR 44 1HB TYR 44 2.079 11.433 11.433 329 HD1 TYR 44 HD2 TYR 44 3.535 12.463 12.463 330 HD2 TYR 44 HD1 TYR 44 0.109 12.836 12.836 331 HE1 TYR 44 HE2 TYR 44 2.458 13.389 13.389 332 HE2 TYR 44 HE1 TYR 44 -1.012 13.761 13.761 333 HH TYR 44 HH TYR 44 0.340 15.210 15.210 334 H TYR 45 H TYR 45 1.286 13.781 13.781 335 HA TYR 45 HA TYR 45 1.090 16.295 16.295 336 1HB TYR 45 2HB TYR 45 -1.152 16.407 16.407 337 2HB TYR 45 1HB TYR 45 -0.869 14.694 14.694 338 HD1 TYR 45 HD2 TYR 45 0.725 14.878 14.878 339 HD2 TYR 45 HD1 TYR 45 -2.938 16.553 16.553 340 HE1 TYR 45 HE2 TYR 45 -0.006 14.999 14.999 341 HE2 TYR 45 HE1 TYR 45 -3.623 16.653 16.653 342 HH TYR 45 HH TYR 45 -2.354 15.034 15.034 343 H THR 46 H THR 46 2.411 15.628 15.628 344 HA THR 46 HA THR 46 1.870 18.257 18.257 345 HB THR 46 HB THR 46 4.078 17.806 17.806 346 HG1 THR 46 HG1 THR 46 5.190 16.084 16.084 347 1HG2 THR 46 1HG2 THR 46 1.872 15.771 15.771 348 2HG2 THR 46 3HG2 THR 46 3.174 16.034 16.034 349 3HG2 THR 46 2HG2 THR 46 2.004 17.301 17.301 350 H ALA 47 H ALA 47 4.555 16.781 16.781 351 HA ALA 47 HA ALA 47 6.303 18.925 18.925 352 1HB ALA 47 1HB ALA 47 6.733 16.602 16.602 353 2HB ALA 47 3HB ALA 47 5.544 16.863 16.863 354 3HB ALA 47 2HB ALA 47 7.048 17.777 17.777 355 H GLN 48 H GLN 48 3.604 18.052 18.052 356 HA GLN 48 HA GLN 48 3.741 19.837 19.837 357 1HB GLN 48 2HB GLN 48 1.352 18.971 18.971 358 2HB GLN 48 1HB GLN 48 1.129 20.130 20.130 359 1HG GLN 48 2HG GLN 48 0.617 17.846 17.846 360 2HG GLN 48 1HG GLN 48 1.953 18.474 18.474 361 1HE2 GLN 48 2HE2 GLN 48 4.232 16.155 16.155 362 2HE2 GLN 48 1HE2 GLN 48 4.210 17.823 17.823 363 H GLY 49 H GLY 49 2.518 20.634 20.634 364 1HA GLY 49 2HA GLY 49 3.176 22.655 22.655 365 2HA GLY 49 1HA GLY 49 2.975 23.503 23.503 366 H GLU 50 H GLU 50 1.549 24.481 24.481 367 HA GLU 50 HA GLU 50 -1.084 23.207 23.207 368 1HB GLU 50 2HB GLU 50 -0.049 25.901 25.901 369 2HB GLU 50 1HB GLU 50 -1.670 25.385 25.385 370 1HG GLU 50 2HG GLU 50 -0.556 23.206 23.206 371 2HG GLU 50 1HG GLU 50 0.958 24.081 24.081 372 HA PRO 51 HA PRO 51 -3.258 24.309 24.309 373 1HB PRO 51 2HB PRO 51 -5.681 24.474 24.474 374 2HB PRO 51 1HB PRO 51 -4.760 25.942 25.942 375 1HG PRO 51 2HG PRO 51 -5.050 24.482 24.482 376 2HG PRO 51 1HG PRO 51 -5.266 26.212 26.212 377 1HD PRO 51 2HD PRO 51 -2.851 25.135 25.135 378 2HD PRO 51 1HD PRO 51 -2.916 26.609 26.609 379 H PHE 52 H PHE 52 -2.305 22.181 22.181 380 HA PHE 52 HA PHE 52 -4.024 20.116 20.116 381 1HB PHE 52 2HB PHE 52 -0.993 20.342 20.342 382 2HB PHE 52 1HB PHE 52 -1.671 18.751 18.751 383 HD1 PHE 52 HD1 PHE 52 -2.993 17.701 17.701 384 HD2 PHE 52 HD2 PHE 52 -1.301 21.574 21.574 385 HE1 PHE 52 HE1 PHE 52 -3.417 17.544 17.544 386 HE2 PHE 52 HE2 PHE 52 -1.729 21.427 21.427 387 HZ PHE 52 HZ PHE 52 -2.760 19.446 19.446 388 HA PRO 53 HA PRO 53 -2.723 18.157 18.157 389 1HB PRO 53 2HB PRO 53 -1.245 19.647 19.647 390 2HB PRO 53 1HB PRO 53 -0.545 18.534 18.534 391 1HG PRO 53 2HG PRO 53 -1.019 21.544 21.544 392 2HG PRO 53 1HG PRO 53 0.506 20.678 20.678 393 1HD PRO 53 2HD PRO 53 -0.933 21.138 21.138 394 2HD PRO 53 1HD PRO 53 -0.351 19.476 19.476 395 H ASN 54 H ASN 54 -4.088 20.943 20.943 396 HA ASN 54 HA ASN 54 -5.748 21.056 21.056 397 1HB ASN 54 2HB ASN 54 -6.047 23.555 23.555 398 2HB ASN 54 1HB ASN 54 -4.522 23.100 23.100 399 1HD2 ASN 54 2HD2 ASN 54 -2.669 24.004 24.004 400 2HD2 ASN 54 1HD2 ASN 54 -2.732 23.757 23.757 401 H ASN 55 H ASN 55 -5.762 21.374 21.374 402 HA ASN 55 HA ASN 55 -8.765 20.977 20.977 403 1HB ASN 55 2HB ASN 55 -6.921 22.431 22.431 404 2HB ASN 55 1HB ASN 55 -8.596 22.045 22.045 405 1HD2 ASN 55 2HD2 ASN 55 -7.798 25.250 25.250 406 2HD2 ASN 55 1HD2 ASN 55 -6.529 24.205 24.205 407 H LEU 56 H LEU 56 -6.308 19.228 19.228 408 HA LEU 56 HA LEU 56 -6.166 17.850 17.850 409 1HB LEU 56 2HB LEU 56 -5.076 16.179 16.179 410 2HB LEU 56 1HB LEU 56 -5.146 17.498 17.498 411 HG LEU 56 HG LEU 56 -7.276 16.402 16.402 412 1HD1 LEU 56 1HD1 LEU 56 -7.510 14.790 14.790 413 2HD1 LEU 56 3HD1 LEU 56 -6.029 14.085 14.085 414 3HD1 LEU 56 2HD1 LEU 56 -7.464 14.017 14.017 415 1HD2 LEU 56 3HD2 LEU 56 -5.008 16.289 16.289 416 2HD2 LEU 56 2HD2 LEU 56 -5.949 14.829 14.829 417 3HD2 LEU 56 1HD2 LEU 56 -4.663 14.844 14.844 418 H ASP 57 H ASP 57 -8.330 17.648 17.648 419 HA ASP 57 HA ASP 57 -9.922 15.641 15.641 420 1HB ASP 57 2HB ASP 57 -10.410 16.826 16.826 421 2HB ASP 57 1HB ASP 57 -10.527 18.382 18.382 422 H LYS 58 H LYS 58 -10.261 18.820 18.820 423 HA LYS 58 HA LYS 58 -12.326 17.555 17.555 424 1HB LYS 58 2HB LYS 58 -12.993 19.917 19.917 425 2HB LYS 58 1HB LYS 58 -13.221 19.424 19.424 426 1HG LYS 58 2HG LYS 58 -11.255 20.629 20.629 427 2HG LYS 58 1HG LYS 58 -10.790 20.976 20.976 428 1HD LYS 58 2HD LYS 58 -12.790 22.329 22.329 429 2HD LYS 58 1HD LYS 58 -13.401 21.912 21.912 430 1HE LYS 58 2HE LYS 58 -11.594 23.066 23.066 431 2HE LYS 58 1HE LYS 58 -10.737 23.330 23.330 432 1HZ LYS 58 1HZ LYS 58 -13.352 24.405 24.405 433 2HZ LYS 58 3HZ LYS 58 -12.652 24.942 24.942 434 3HZ LYS 58 2HZ LYS 58 -11.845 25.209 25.209 435 H LEU 59 H LEU 59 -9.133 18.260 18.260 436 HA LEU 59 HA LEU 59 -8.993 18.732 18.732 437 1HB LEU 59 2HB LEU 59 -6.826 19.273 19.273 438 2HB LEU 59 1HB LEU 59 -6.916 19.839 19.839 439 HG LEU 59 HG LEU 59 -8.920 20.557 20.557 440 1HD1 LEU 59 2HD1 LEU 59 -6.649 22.138 22.138 441 2HD1 LEU 59 1HD1 LEU 59 -7.870 22.732 22.732 442 3HD1 LEU 59 3HD1 LEU 59 -6.787 21.422 21.422 443 1HD2 LEU 59 1HD2 LEU 59 -8.647 21.679 21.679 444 2HD2 LEU 59 3HD2 LEU 59 -9.941 20.628 20.628 445 3HD2 LEU 59 2HD2 LEU 59 -9.759 22.222 22.222 446 H CYS 60 H CYS 60 -8.704 16.276 16.276 447 HA CYS 60 HA CYS 60 -6.516 14.889 14.889 448 1HB CYS 60 2HB CYS 60 -6.385 15.508 15.508 449 2HB CYS 60 1HB CYS 60 -7.218 13.973 13.973 450 H GLY 61 H GLY 61 -9.706 15.136 15.136 451 1HA GLY 61 2HA GLY 61 -11.652 13.806 13.806 452 2HA GLY 61 1HA GLY 61 -10.822 13.222 13.222 453 HA PRO 62 HA PRO 62 -9.867 9.922 9.922 454 1HB PRO 62 2HB PRO 62 -10.344 10.310 10.310 455 2HB PRO 62 1HB PRO 62 -8.956 11.111 11.111 456 1HG PRO 62 2HG PRO 62 -11.817 12.233 12.233 457 2HG PRO 62 1HG PRO 62 -10.340 12.963 12.963 458 1HD PRO 62 2HD PRO 62 -11.238 13.783 13.783 459 2HD PRO 62 1HD PRO 62 -9.519 13.443 13.443 460 H ASN 63 H ASN 63 -12.034 10.086 10.086 461 HA ASN 63 HA ASN 63 -13.880 8.286 8.286 462 1HB ASN 63 2HB ASN 63 -14.885 10.674 10.674 463 2HB ASN 63 1HB ASN 63 -15.906 9.452 9.452 464 1HD2 ASN 63 2HD2 ASN 63 -15.711 11.031 11.031 465 2HD2 ASN 63 1HD2 ASN 63 -16.391 9.750 9.750 466 H VAL 64 H VAL 64 -13.846 9.864 9.864 467 HA VAL 64 HA VAL 64 -13.366 7.227 7.227 468 HB VAL 64 HB VAL 64 -15.822 7.594 7.594 469 1HG1 VAL 64 2HG1 VAL 64 -15.896 10.097 10.097 470 2HG1 VAL 64 1HG1 VAL 64 -15.416 9.995 9.995 471 3HG1 VAL 64 3HG1 VAL 64 -16.938 9.337 9.337 472 1HG2 VAL 64 2HG2 VAL 64 -14.746 7.659 7.659 473 2HG2 VAL 64 1HG2 VAL 64 -14.961 6.234 6.234 474 3HG2 VAL 64 3HG2 VAL 64 -16.356 7.148 7.148 475 H THR 65 H THR 65 -13.778 10.690 10.690 476 HA THR 65 HA THR 65 -12.633 12.067 12.067 477 HB THR 65 HB THR 65 -10.562 9.837 9.837 478 HG1 THR 65 HG1 THR 65 -10.539 11.186 11.186 479 1HG2 THR 65 3HG2 THR 65 -9.961 12.256 12.256 480 2HG2 THR 65 2HG2 THR 65 -8.803 11.146 11.146 481 3HG2 THR 65 1HG2 THR 65 -9.887 10.578 10.578 482 H ASP 66 H ASP 66 -11.391 11.162 11.162 483 HA ASP 66 HA ASP 66 -13.746 9.623 9.623 484 1HB ASP 66 2HB ASP 66 -11.617 11.281 11.281 485 2HB ASP 66 1HB ASP 66 -13.010 10.524 10.524 486 H PHE 67 H PHE 67 -11.960 8.254 8.254 487 HA PHE 67 HA PHE 67 -10.103 6.773 6.773 488 1HB PHE 67 2HB PHE 67 -8.992 6.331 6.331 489 2HB PHE 67 1HB PHE 67 -10.068 7.429 7.429 490 HD1 PHE 67 HD1 PHE 67 -12.497 6.208 6.208 491 HD2 PHE 67 HD2 PHE 67 -8.735 4.187 4.187 492 HE1 PHE 67 HE1 PHE 67 -13.299 4.484 4.484 493 HE2 PHE 67 HE2 PHE 67 -9.534 2.509 2.509 494 HZ PHE 67 HZ PHE 67 -11.850 2.613 2.613 495 HA PRO 68 HA PRO 68 -12.747 3.475 3.475 496 1HB PRO 68 2HB PRO 68 -11.168 1.333 1.333 497 2HB PRO 68 1HB PRO 68 -10.840 2.790 2.790 498 1HG PRO 68 2HG PRO 68 -9.676 2.028 2.028 499 2HG PRO 68 1HG PRO 68 -8.773 2.378 2.378 500 1HD PRO 68 2HD PRO 68 -9.258 4.369 4.369 501 2HD PRO 68 1HD PRO 68 -9.322 4.733 4.733 502 HA PRO 69 HA PRO 69 -14.026 2.346 2.346 503 1HB PRO 69 2HB PRO 69 -16.390 1.096 1.096 504 2HB PRO 69 1HB PRO 69 -16.273 2.636 2.636 505 1HG PRO 69 2HG PRO 69 -16.092 2.123 2.123 506 2HG PRO 69 1HG PRO 69 -16.898 3.456 3.456 507 1HD PRO 69 2HD PRO 69 -14.520 3.946 3.946 508 2HD PRO 69 1HD PRO 69 -14.716 4.456 4.456 509 H PHE 70 H PHE 70 -12.905 0.774 0.774 510 HA PHE 70 HA PHE 70 -12.631 -1.892 -1.892 511 1HB PHE 70 2HB PHE 70 -10.563 -0.682 -0.682 512 2HB PHE 70 1HB PHE 70 -11.313 -0.668 -0.668 513 HD1 PHE 70 HD2 PHE 70 -12.159 -3.180 -3.180 514 HD2 PHE 70 HD1 PHE 70 -8.922 -2.344 -2.344 515 HE1 PHE 70 HE2 PHE 70 -11.206 -5.382 -5.382 516 HE2 PHE 70 HE1 PHE 70 -8.000 -4.562 -4.562 517 HZ PHE 70 HZ PHE 70 -9.105 -6.055 -6.055 518 H HIS 71 H HIS 71 -14.264 -3.388 -3.388 519 HA HIS 71 HA HIS 71 -15.212 -3.086 -3.086 520 1HB HIS 71 2HB HIS 71 -16.710 -2.438 -2.438 521 2HB HIS 71 1HB HIS 71 -17.567 -3.599 -3.599 522 HD1 HIS 71 HD1 HIS 71 -15.494 -0.673 -0.673 523 HD2 HIS 71 HD2 HIS 71 -19.351 -2.033 -2.033 524 HE1 HIS 71 HE1 HIS 71 -16.767 0.853 0.853 525 H ALA 72 H ALA 72 -13.694 -4.880 -4.880 526 HA ALA 72 HA ALA 72 -13.597 -7.311 -7.311 527 1HB ALA 72 3HB ALA 72 -13.956 -6.914 -6.914 528 2HB ALA 72 2HB ALA 72 -13.294 -8.352 -8.352 529 3HB ALA 72 1HB ALA 72 -12.406 -6.833 -6.833 530 H ASN 73 H ASN 73 -15.646 -7.663 -7.663 531 HA ASN 73 HA ASN 73 -17.787 -8.687 -8.687 532 1HB ASN 73 2HB ASN 73 -18.216 -7.000 -7.000 533 2HB ASN 73 1HB ASN 73 -17.829 -8.293 -8.293 534 1HD2 ASN 73 2HD2 ASN 73 -21.084 -9.643 -9.643 535 2HD2 ASN 73 1HD2 ASN 73 -19.672 -9.522 -9.522 536 H GLY 74 H GLY 74 -15.995 -9.923 -9.923 537 1HA GLY 74 2HA GLY 74 -14.707 -11.889 -11.889 538 2HA GLY 74 1HA GLY 74 -16.329 -12.589 -12.589 539 H THR 75 H THR 75 -14.284 -10.904 -10.904 540 HA THR 75 HA THR 75 -14.369 -13.247 -13.247 541 HB THR 75 HB THR 75 -13.879 -10.790 -10.790 542 HG1 THR 75 HG1 THR 75 -16.015 -10.740 -10.740 543 1HG2 THR 75 3HG2 THR 75 -16.318 -12.503 -12.503 544 2HG2 THR 75 2HG2 THR 75 -15.923 -11.485 -11.485 545 3HG2 THR 75 1HG2 THR 75 -14.932 -12.908 -12.908 546 H GLU 76 H GLU 76 -12.493 -13.961 -13.961 547 HA GLU 76 HA GLU 76 -10.173 -12.940 -12.940 548 1HB GLU 76 2HB GLU 76 -10.507 -15.331 -15.331 549 2HB GLU 76 1HB GLU 76 -9.934 -14.506 -14.506 550 1HG GLU 76 2HG GLU 76 -7.938 -13.701 -13.701 551 2HG GLU 76 1HG GLU 76 -8.441 -14.957 -14.957 552 H LYS 77 H LYS 77 -11.032 -12.950 -12.950 553 HA LYS 77 HA LYS 77 -9.147 -11.096 -11.096 554 1HB LYS 77 2HB LYS 77 -10.725 -10.731 -10.731 555 2HB LYS 77 1HB LYS 77 -10.541 -12.438 -12.438 556 1HG LYS 77 2HG LYS 77 -12.742 -12.220 -12.220 557 2HG LYS 77 1HG LYS 77 -12.910 -10.620 -10.620 558 1HD LYS 77 2HD LYS 77 -12.740 -11.679 -11.679 559 2HD LYS 77 1HD LYS 77 -12.707 -13.258 -13.258 560 1HE LYS 77 2HE LYS 77 -14.957 -12.599 -12.599 561 2HE LYS 77 1HE LYS 77 -14.979 -11.227 -11.227 562 1HZ LYS 77 1HZ LYS 77 -14.468 -13.586 -13.586 563 2HZ LYS 77 3HZ LYS 77 -15.819 -13.852 -13.852 564 3HZ LYS 77 2HZ LYS 77 -15.802 -12.553 -12.553 565 H ALA 78 H ALA 78 -12.191 -10.380 -10.380 566 HA ALA 78 HA ALA 78 -11.905 -7.560 -7.560 567 1HB ALA 78 2HB ALA 78 -13.502 -8.861 -8.861 568 2HB ALA 78 1HB ALA 78 -13.684 -7.196 -7.196 569 3HB ALA 78 3HB ALA 78 -14.165 -8.501 -8.501 570 H LYS 79 H LYS 79 -11.204 -9.468 -9.468 571 HA LYS 79 HA LYS 79 -10.209 -7.319 -7.319 572 1HB LYS 79 2HB LYS 79 -9.535 -10.309 -10.309 573 2HB LYS 79 1HB LYS 79 -9.004 -9.215 -9.215 574 1HG LYS 79 2HG LYS 79 -11.208 -8.852 -8.852 575 2HG LYS 79 1HG LYS 79 -11.950 -9.256 -9.256 576 1HD LYS 79 2HD LYS 79 -11.999 -11.483 -11.483 577 2HD LYS 79 1HD LYS 79 -10.462 -11.555 -11.555 578 1HE LYS 79 2HE LYS 79 -13.118 -10.667 -10.667 579 2HE LYS 79 1HE LYS 79 -12.261 -12.167 -12.167 580 1HZ LYS 79 1HZ LYS 79 -10.465 -10.052 -10.052 581 2HZ LYS 79 3HZ LYS 79 -11.905 -9.664 -9.664 582 3HZ LYS 79 2HZ LYS 79 -11.007 -11.077 -11.077 583 H LEU 80 H LEU 80 -8.621 -9.620 -9.620 584 HA LEU 80 HA LEU 80 -5.980 -8.473 -8.473 585 1HB LEU 80 2HB LEU 80 -7.259 -10.664 -10.664 586 2HB LEU 80 1HB LEU 80 -5.856 -9.914 -9.914 587 HG LEU 80 HG LEU 80 -4.559 -10.393 -10.393 588 1HD1 LEU 80 1HD1 LEU 80 -7.001 -12.029 -12.029 589 2HD1 LEU 80 3HD1 LEU 80 -5.460 -12.081 -12.081 590 3HD1 LEU 80 2HD1 LEU 80 -6.421 -10.619 -10.619 591 1HD2 LEU 80 2HD2 LEU 80 -4.382 -11.877 -11.877 592 2HD2 LEU 80 1HD2 LEU 80 -4.273 -12.795 -12.795 593 3HD2 LEU 80 3HD2 LEU 80 -5.766 -12.823 -12.823 594 H VAL 81 H VAL 81 -8.372 -8.279 -8.279 595 HA VAL 81 HA VAL 81 -6.657 -6.547 -6.547 596 HB VAL 81 HB VAL 81 -9.665 -7.033 -7.033 597 1HG1 VAL 81 2HG1 VAL 81 -8.848 -4.962 -4.962 598 2HG1 VAL 81 1HG1 VAL 81 -7.622 -5.910 -5.910 599 3HG1 VAL 81 3HG1 VAL 81 -9.325 -6.204 -6.204 600 1HG2 VAL 81 2HG2 VAL 81 -8.215 -9.073 -9.073 601 2HG2 VAL 81 1HG2 VAL 81 -8.896 -8.632 -8.632 602 3HG2 VAL 81 3HG2 VAL 81 -7.224 -8.240 -8.240 603 H GLU 82 H GLU 82 -9.523 -5.962 -5.962 604 HA GLU 82 HA GLU 82 -9.600 -3.203 -3.203 605 1HB GLU 82 2HB GLU 82 -10.338 -4.537 -4.537 606 2HB GLU 82 1HB GLU 82 -10.703 -2.884 -2.884 607 1HG GLU 82 2HG GLU 82 -12.279 -3.530 -3.530 608 2HG GLU 82 1HG GLU 82 -11.842 -5.220 -5.220 609 H LEU 83 H LEU 83 -7.711 -5.154 -5.154 610 HA LEU 83 HA LEU 83 -6.312 -3.021 -3.021 611 1HB LEU 83 2HB LEU 83 -6.020 -5.249 -5.249 612 2HB LEU 83 1HB LEU 83 -5.689 -5.945 -5.945 613 HG LEU 83 HG LEU 83 -3.469 -4.625 -4.625 614 1HD1 LEU 83 1HD1 LEU 83 -4.240 -4.342 -4.342 615 2HD1 LEU 83 3HD1 LEU 83 -2.661 -3.970 -3.970 616 3HD1 LEU 83 2HD1 LEU 83 -4.065 -3.023 -3.023 617 1HD2 LEU 83 2HD2 LEU 83 -4.021 -6.839 -6.839 618 2HD2 LEU 83 1HD2 LEU 83 -3.610 -7.050 -7.050 619 3HD2 LEU 83 3HD2 LEU 83 -2.431 -6.400 -6.400 620 H TYR 84 H TYR 84 -5.083 -5.117 -5.117 621 HA TYR 84 HA TYR 84 -2.958 -3.930 -3.930 622 1HB TYR 84 2HB TYR 84 -4.107 -5.956 -5.956 623 2HB TYR 84 1HB TYR 84 -5.262 -5.030 -5.030 624 HD1 TYR 84 HD1 TYR 84 -4.293 -3.396 -3.396 625 HD2 TYR 84 HD2 TYR 84 -2.060 -6.404 -6.404 626 HE1 TYR 84 HE1 TYR 84 -2.718 -3.243 -3.243 627 HE2 TYR 84 HE2 TYR 84 -0.449 -6.311 -6.311 628 HH TYR 84 HH TYR 84 -0.688 -4.282 -4.282 629 H ARG 85 H ARG 85 -5.856 -3.347 -3.347 630 HA ARG 85 HA ARG 85 -5.228 -1.040 -1.040 631 1HB ARG 85 2HB ARG 85 -7.600 -0.658 -0.658 632 2HB ARG 85 1HB ARG 85 -7.465 -2.394 -2.394 633 1HG ARG 85 2HG ARG 85 -8.086 -2.070 -2.070 634 2HG ARG 85 1HG ARG 85 -8.382 -0.372 -0.372 635 1HD ARG 85 2HD ARG 85 -10.140 -1.086 -1.086 636 2HD ARG 85 1HD ARG 85 -9.992 -2.744 -2.744 637 HE ARG 85 HE ARG 85 -10.264 -1.136 -1.136 638 1HH1 ARG 85 2HH1 ARG 85 -12.185 -1.643 -1.643 639 2HH1 ARG 85 1HH1 ARG 85 -13.673 -1.227 -1.227 640 1HH2 ARG 85 1HH2 ARG 85 -12.142 -0.513 -0.513 641 2HH2 ARG 85 2HH2 ARG 85 -13.632 -0.640 -0.640 642 H MET 86 H MET 86 -6.708 -1.130 -1.130 643 HA MET 86 HA MET 86 -6.836 1.601 1.601 644 1HB MET 86 2HB MET 86 -7.968 -0.015 -0.015 645 2HB MET 86 1HB MET 86 -6.450 -0.671 -0.671 646 1HG MET 86 2HG MET 86 -6.027 1.665 1.665 647 2HG MET 86 1HG MET 86 -7.668 2.037 2.037 648 1HE MET 86 2HE MET 86 -5.490 -0.525 -0.525 649 2HE MET 86 1HE MET 86 -5.515 0.887 0.887 650 3HE MET 86 3HE MET 86 -6.266 -0.629 -0.629 651 H VAL 87 H VAL 87 -4.146 -0.584 -0.584 652 HA VAL 87 HA VAL 87 -2.436 1.249 1.249 653 HB VAL 87 HB VAL 87 -2.130 -1.432 -1.432 654 1HG1 VAL 87 1HG1 VAL 87 -0.060 0.182 0.182 655 2HG1 VAL 87 3HG1 VAL 87 0.200 -1.471 -1.471 656 3HG1 VAL 87 2HG1 VAL 87 0.063 -0.178 -0.178 657 1HG2 VAL 87 1HG2 VAL 87 -2.128 -0.750 -0.750 658 2HG2 VAL 87 3HG2 VAL 87 -3.372 -1.575 -1.575 659 3HG2 VAL 87 2HG2 VAL 87 -1.816 -2.332 -2.332 660 H ALA 88 H ALA 88 -2.343 -0.415 -0.415 661 HA ALA 88 HA ALA 88 -0.453 0.827 0.827 662 1HB ALA 88 2HB ALA 88 -3.303 0.287 0.287 663 2HB ALA 88 1HB ALA 88 -1.941 0.538 0.538 664 3HB ALA 88 3HB ALA 88 -1.978 -0.833 -0.833 665 H TYR 89 H TYR 89 -3.611 2.233 2.233 666 HA TYR 89 HA TYR 89 -2.763 4.762 4.762 667 1HB TYR 89 2HB TYR 89 -4.989 5.558 5.558 668 2HB TYR 89 1HB TYR 89 -5.300 3.850 3.850 669 HD1 TYR 89 HD2 TYR 89 -4.758 6.859 6.859 670 HD2 TYR 89 HD1 TYR 89 -6.299 2.914 2.914 671 HE1 TYR 89 HE2 TYR 89 -5.817 7.142 7.142 672 HE2 TYR 89 HE1 TYR 89 -7.350 3.261 3.261 673 HH TYR 89 HH TYR 89 -6.654 4.893 4.893 674 H LEU 90 H LEU 90 -3.468 3.780 3.780 675 HA LEU 90 HA LEU 90 -2.741 6.118 6.118 676 1HB LEU 90 2HB LEU 90 -3.766 4.114 4.114 677 2HB LEU 90 1HB LEU 90 -2.311 3.200 3.200 678 HG LEU 90 HG LEU 90 -2.379 3.722 3.722 679 1HD1 LEU 90 2HD1 LEU 90 -0.102 4.141 4.141 680 2HD1 LEU 90 1HD1 LEU 90 -0.524 5.833 5.833 681 3HD1 LEU 90 3HD1 LEU 90 -0.525 5.136 5.136 682 1HD2 LEU 90 2HD2 LEU 90 -2.920 6.605 6.605 683 2HD2 LEU 90 1HD2 LEU 90 -4.082 5.519 5.519 684 3HD2 LEU 90 3HD2 LEU 90 -2.684 6.056 6.056 685 H SER 91 H SER 91 -0.680 3.259 3.259 686 HA SER 91 HA SER 91 1.789 4.297 4.297 687 1HB SER 91 2HB SER 91 2.829 2.632 2.632 688 2HB SER 91 1HB SER 91 1.368 1.934 1.934 689 HG SER 91 HG SER 91 1.928 2.496 2.496 690 H ALA 92 H ALA 92 0.495 4.512 4.512 691 HA ALA 92 HA ALA 92 2.598 6.031 6.031 692 1HB ALA 92 1HB ALA 92 -0.360 5.957 5.957 693 2HB ALA 92 3HB ALA 92 0.889 6.590 6.590 694 3HB ALA 92 2HB ALA 92 0.847 4.878 4.878 695 H SER 93 H SER 93 -0.377 7.098 7.098 696 HA SER 93 HA SER 93 0.077 9.906 9.906 697 1HB SER 93 2HB SER 93 -1.616 8.599 8.599 698 2HB SER 93 1HB SER 93 -1.845 10.231 10.231 699 HG SER 93 HG SER 93 -2.404 7.775 7.775 700 H LEU 94 H LEU 94 0.603 7.804 7.804 701 HA LEU 94 HA LEU 94 1.577 9.472 9.472 702 1HB LEU 94 2HB LEU 94 1.226 6.699 6.699 703 2HB LEU 94 1HB LEU 94 2.960 6.827 6.827 704 HG LEU 94 HG LEU 94 2.934 7.985 7.985 705 1HD1 LEU 94 2HD1 LEU 94 -0.064 7.402 7.402 706 2HD1 LEU 94 1HD1 LEU 94 0.872 7.926 7.926 707 3HD1 LEU 94 3HD1 LEU 94 0.661 8.994 8.994 708 1HD2 LEU 94 1HD2 LEU 94 1.512 5.260 5.260 709 2HD2 LEU 94 3HD2 LEU 94 3.230 5.515 5.515 710 3HD2 LEU 94 2HD2 LEU 94 2.255 5.986 5.986 711 H THR 95 H THR 95 3.118 7.780 7.780 712 HA THR 95 HA THR 95 5.786 8.620 8.620 713 HB THR 95 HB THR 95 4.316 7.851 7.851 714 HG1 THR 95 HG1 THR 95 4.383 6.248 6.248 715 1HG2 THR 95 1HG2 THR 95 7.303 7.969 7.969 716 2HG2 THR 95 3HG2 THR 95 6.743 7.502 7.502 717 3HG2 THR 95 2HG2 THR 95 6.625 9.166 9.166 718 H ASN 96 H ASN 96 3.309 10.075 10.075 719 HA ASN 96 HA ASN 96 4.850 12.246 12.246 720 1HB ASN 96 2HB ASN 96 1.868 12.252 12.252 721 2HB ASN 96 1HB ASN 96 2.680 13.437 13.437 722 1HD2 ASN 96 2HD2 ASN 96 1.335 10.351 10.351 723 2HD2 ASN 96 1HD2 ASN 96 0.609 11.084 11.084 724 H ILE 97 H ILE 97 2.589 12.365 12.365 725 HA ILE 97 HA ILE 97 3.238 14.964 14.964 726 HB ILE 97 HB ILE 97 1.298 13.666 13.666 727 1HG1 ILE 97 2HG1 ILE 97 1.424 14.114 14.114 728 2HG1 ILE 97 1HG1 ILE 97 3.151 14.395 14.395 729 1HG2 ILE 97 1HG2 ILE 97 3.280 11.917 11.917 730 2HG2 ILE 97 3HG2 ILE 97 1.550 11.846 11.846 731 3HG2 ILE 97 2HG2 ILE 97 2.262 11.494 11.494 732 1HD1 ILE 97 3HD1 ILE 97 0.950 16.019 16.019 733 2HD1 ILE 97 2HD1 ILE 97 1.898 16.509 16.509 734 3HD1 ILE 97 1HD1 ILE 97 2.664 16.338 16.338 735 H THR 98 H THR 98 4.827 11.922 11.922 736 HA THR 98 HA THR 98 6.631 12.695 12.695 737 HB THR 98 HB THR 98 6.420 10.431 10.431 738 HG1 THR 98 HG1 THR 98 6.383 9.754 9.754 739 1HG2 THR 98 1HG2 THR 98 9.267 11.026 11.026 740 2HG2 THR 98 3HG2 THR 98 8.713 9.579 9.579 741 3HG2 THR 98 2HG2 THR 98 8.851 11.080 11.080 742 H ARG 99 H ARG 99 7.628 12.587 12.587 743 HA ARG 99 HA ARG 99 10.064 13.928 13.928 744 1HB ARG 99 2HB ARG 99 9.187 12.937 12.937 745 2HB ARG 99 1HB ARG 99 7.909 14.116 14.116 746 1HG ARG 99 2HG ARG 99 9.486 14.878 14.878 747 2HG ARG 99 1HG ARG 99 9.695 15.952 15.952 748 1HD ARG 99 2HD ARG 99 11.716 14.821 14.821 749 2HD ARG 99 1HD ARG 99 11.480 13.501 13.501 750 HE ARG 99 HE ARG 99 12.152 16.360 16.360 751 1HH1 ARG 99 2HH1 ARG 99 12.150 13.029 13.029 752 2HH1 ARG 99 1HH1 ARG 99 13.064 13.243 13.243 753 1HH2 ARG 99 1HH2 ARG 99 13.303 16.729 16.729 754 2HH2 ARG 99 2HH2 ARG 99 13.766 15.450 15.450 755 H ASP 100 H ASP 100 6.948 15.290 15.290 756 HA ASP 100 HA ASP 100 7.408 17.999 17.999 757 1HB ASP 100 2HB ASP 100 5.205 16.448 16.448 758 2HB ASP 100 1HB ASP 100 5.017 16.946 16.946 759 H GLN 101 H GLN 101 6.759 16.008 16.008 760 HA GLN 101 HA GLN 101 7.031 18.158 18.158 761 1HB GLN 101 2HB GLN 101 6.543 15.248 15.248 762 2HB GLN 101 1HB GLN 101 7.620 15.654 15.654 763 1HG GLN 101 2HG GLN 101 5.088 15.762 15.762 764 2HG GLN 101 1HG GLN 101 6.034 17.149 17.149 765 1HE2 GLN 101 2HE2 GLN 101 3.913 17.920 17.920 766 2HE2 GLN 101 1HE2 GLN 101 4.968 16.578 16.578 767 H LYS 102 H LYS 102 9.258 15.674 15.674 768 HA LYS 102 HA LYS 102 11.483 16.328 16.328 769 1HB LYS 102 2HB LYS 102 11.402 14.454 14.454 770 2HB LYS 102 1HB LYS 102 11.783 15.746 15.746 771 1HG LYS 102 2HG LYS 102 13.713 16.245 16.245 772 2HG LYS 102 1HG LYS 102 13.596 14.522 14.522 773 1HD LYS 102 2HD LYS 102 14.073 15.948 15.948 774 2HD LYS 102 1HD LYS 102 15.372 15.462 15.462 775 1HE LYS 102 2HE LYS 102 14.453 13.075 13.075 776 2HE LYS 102 1HE LYS 102 13.383 13.634 13.634 777 1HZ LYS 102 3HZ LYS 102 15.999 14.533 14.533 778 2HZ LYS 102 2HZ LYS 102 16.060 12.872 12.872 779 3HZ LYS 102 1HZ LYS 102 15.042 13.421 13.421 780 H VAL 103 H VAL 103 10.118 17.845 17.845 781 HA VAL 103 HA VAL 103 12.330 19.849 19.849 782 HB VAL 103 HB VAL 103 9.817 19.508 19.508 783 1HG1 VAL 103 1HG1 VAL 103 12.366 21.130 21.130 784 2HG1 VAL 103 3HG1 VAL 103 11.046 20.927 20.927 785 3HG1 VAL 103 2HG1 VAL 103 10.787 21.798 21.798 786 1HG2 VAL 103 3HG2 VAL 103 11.371 17.540 17.540 787 2HG2 VAL 103 2HG2 VAL 103 11.374 18.426 18.426 788 3HG2 VAL 103 1HG2 VAL 103 12.709 18.607 18.607 789 H LEU 104 H LEU 104 9.090 19.697 19.697 790 HA LEU 104 HA LEU 104 8.863 22.628 22.628 791 1HB LEU 104 2HB LEU 104 7.150 20.378 20.378 792 2HB LEU 104 1HB LEU 104 6.768 22.063 22.063 793 HG LEU 104 HG LEU 104 7.257 21.060 21.060 794 1HD1 LEU 104 1HD1 LEU 104 4.667 20.744 20.744 795 2HD1 LEU 104 3HD1 LEU 104 4.820 20.521 20.521 796 3HD1 LEU 104 2HD1 LEU 104 5.666 19.471 19.471 797 1HD2 LEU 104 3HD2 LEU 104 5.467 23.235 23.235 798 2HD2 LEU 104 2HD2 LEU 104 7.015 23.496 23.496 799 3HD2 LEU 104 1HD2 LEU 104 5.667 22.891 22.891 800 H ASN 105 H ASN 105 9.651 20.056 20.056 801 HA ASN 105 HA ASN 105 10.427 22.250 22.250 802 1HB ASN 105 2HB ASN 105 8.245 21.806 21.806 803 2HB ASN 105 1HB ASN 105 8.420 20.076 20.076 804 1HD2 ASN 105 2HD2 ASN 105 9.247 21.853 21.853 805 2HD2 ASN 105 1HD2 ASN 105 8.477 22.677 22.677 806 HA PRO 106 HA PRO 106 14.214 20.320 20.320 807 1HB PRO 106 2HB PRO 106 14.866 21.377 21.377 808 2HB PRO 106 1HB PRO 106 14.937 22.311 22.311 809 1HG PRO 106 2HG PRO 106 12.612 22.119 22.119 810 2HG PRO 106 1HG PRO 106 13.376 23.582 23.582 811 1HD PRO 106 2HD PRO 106 11.135 22.732 22.732 812 2HD PRO 106 1HD PRO 106 12.460 23.190 23.190 813 H SER 107 H SER 107 11.708 19.841 19.841 814 HA SER 107 HA SER 107 13.048 17.522 17.522 815 1HB SER 107 2HB SER 107 11.917 19.172 19.172 816 2HB SER 107 1HB SER 107 10.388 18.920 18.920 817 HG SER 107 HG SER 107 11.188 16.493 16.493 818 H ALA 108 H ALA 108 10.408 18.411 18.411 819 HA ALA 108 HA ALA 108 8.885 16.074 16.074 820 1HB ALA 108 3HB ALA 108 9.707 17.823 17.823 821 2HB ALA 108 2HB ALA 108 8.404 16.653 16.653 822 3HB ALA 108 1HB ALA 108 8.291 18.063 18.063 823 H VAL 109 H VAL 109 11.832 16.936 16.936 824 HA VAL 109 HA VAL 109 12.398 14.897 14.897 825 HB VAL 109 HB VAL 109 14.781 15.240 15.240 826 1HG1 VAL 109 1HG1 VAL 109 13.628 17.205 17.205 827 2HG1 VAL 109 3HG1 VAL 109 13.290 17.860 17.860 828 3HG1 VAL 109 2HG1 VAL 109 14.943 17.721 17.721 829 1HG2 VAL 109 3HG2 VAL 109 13.874 16.405 16.405 830 2HG2 VAL 109 2HG2 VAL 109 14.812 14.933 14.933 831 3HG2 VAL 109 1HG2 VAL 109 15.512 16.490 16.490 832 H SER 110 H SER 110 12.502 14.794 14.794 833 HA SER 110 HA SER 110 13.411 12.029 12.029 834 1HB SER 110 2HB SER 110 13.661 14.058 14.058 835 2HB SER 110 1HB SER 110 11.980 13.737 13.737 836 HG SER 110 HG SER 110 14.135 12.443 12.443 837 H LEU 111 H LEU 111 10.325 13.692 13.692 838 HA LEU 111 HA LEU 111 8.707 11.451 11.451 839 1HB LEU 111 2HB LEU 111 6.820 12.783 12.783 840 2HB LEU 111 1HB LEU 111 7.997 14.061 14.061 841 HG LEU 111 HG LEU 111 8.030 13.891 13.891 842 1HD1 LEU 111 1HD1 LEU 111 5.349 12.473 12.473 843 2HD1 LEU 111 3HD1 LEU 111 5.977 13.043 13.043 844 3HD1 LEU 111 2HD1 LEU 111 6.703 11.677 11.677 845 1HD2 LEU 111 3HD2 LEU 111 5.578 14.922 14.922 846 2HD2 LEU 111 2HD2 LEU 111 7.100 15.751 15.751 847 3HD2 LEU 111 1HD2 LEU 111 6.149 15.162 15.162 848 H HIS 112 H HIS 112 9.401 12.736 12.736 849 HA HIS 112 HA HIS 112 7.998 10.786 10.786 850 1HB HIS 112 2HB HIS 112 8.865 11.810 11.810 851 2HB HIS 112 1HB HIS 112 9.417 13.007 13.007 852 HD1 HIS 112 HD1 HIS 112 11.116 9.721 9.721 853 HD2 HIS 112 HD2 HIS 112 11.784 13.723 13.723 854 HE1 HIS 112 HE1 HIS 112 13.453 10.077 10.077 855 H SER 113 H SER 113 11.410 10.800 10.800 856 HA SER 113 HA SER 113 12.318 8.407 8.407 857 1HB SER 113 2HB SER 113 13.597 9.915 9.915 858 2HB SER 113 1HB SER 113 12.689 9.169 9.169 859 HG SER 113 HG SER 113 13.801 7.396 7.396 860 H LYS 114 H LYS 114 10.408 8.693 8.693 861 HA LYS 114 HA LYS 114 10.118 5.794 5.794 862 1HB LYS 114 2HB LYS 114 9.402 7.690 7.690 863 2HB LYS 114 1HB LYS 114 7.823 7.523 7.523 864 1HG LYS 114 2HG LYS 114 8.086 4.983 4.983 865 2HG LYS 114 1HG LYS 114 9.566 5.278 5.278 866 1HD LYS 114 2HD LYS 114 8.197 6.561 6.561 867 2HD LYS 114 1HD LYS 114 6.748 6.021 6.021 868 1HE LYS 114 2HE LYS 114 7.637 3.592 3.592 869 2HE LYS 114 1HE LYS 114 8.892 4.228 4.228 870 1HZ LYS 114 3HZ LYS 114 6.398 5.142 5.142 871 2HZ LYS 114 2HZ LYS 114 6.306 3.458 3.458 872 3HZ LYS 114 1HZ LYS 114 7.501 4.090 4.090 873 H LEU 115 H LEU 115 8.208 8.294 8.294 874 HA LEU 115 HA LEU 115 6.007 6.704 6.704 875 1HB LEU 115 2HB LEU 115 6.509 9.363 9.363 876 2HB LEU 115 1HB LEU 115 7.200 8.932 8.932 877 HG LEU 115 HG LEU 115 5.056 8.175 8.175 878 1HD1 LEU 115 1HD1 LEU 115 4.117 8.580 8.580 879 2HD1 LEU 115 3HD1 LEU 115 3.016 8.262 8.262 880 3HD1 LEU 115 2HD1 LEU 115 4.175 7.047 7.047 881 1HD2 LEU 115 2HD2 LEU 115 5.194 10.791 10.791 882 2HD2 LEU 115 1HD2 LEU 115 3.571 10.208 10.208 883 3HD2 LEU 115 3HD2 LEU 115 4.483 10.734 10.734 884 H ASN 116 H ASN 116 9.298 6.984 6.984 885 HA ASN 116 HA ASN 116 8.967 5.690 5.690 886 1HB ASN 116 2HB ASN 116 11.386 5.500 5.500 887 2HB ASN 116 1HB ASN 116 11.330 4.812 4.812 888 1HD2 ASN 116 2HD2 ASN 116 12.309 7.757 7.757 889 2HD2 ASN 116 1HD2 ASN 116 12.132 6.062 6.062 890 H ALA 117 H ALA 117 9.701 4.492 4.492 891 HA ALA 117 HA ALA 117 9.907 1.781 1.781 892 1HB ALA 117 1HB ALA 117 8.448 2.631 2.631 893 2HB ALA 117 3HB ALA 117 9.015 1.019 1.019 894 3HB ALA 117 2HB ALA 117 10.186 2.300 2.300 895 H THR 118 H THR 118 6.944 3.316 3.316 896 HA THR 118 HA THR 118 5.064 1.351 1.351 897 HB THR 118 HB THR 118 3.666 3.673 3.673 898 HG1 THR 118 HG1 THR 118 5.711 4.709 4.709 899 1HG2 THR 118 2HG2 THR 118 4.675 3.183 3.183 900 2HG2 THR 118 1HG2 THR 118 3.250 4.107 4.107 901 3HG2 THR 118 3HG2 THR 118 3.264 2.352 2.352 902 H ILE 119 H ILE 119 6.076 3.620 3.620 903 HA ILE 119 HA ILE 119 4.568 2.431 2.431 904 HB ILE 119 HB ILE 119 7.149 4.063 4.063 905 1HG1 ILE 119 2HG1 ILE 119 4.292 5.109 5.109 906 2HG1 ILE 119 1HG1 ILE 119 5.065 5.053 5.053 907 1HG2 ILE 119 1HG2 ILE 119 6.618 2.995 2.995 908 2HG2 ILE 119 3HG2 ILE 119 5.005 3.688 3.688 909 3HG2 ILE 119 2HG2 ILE 119 6.411 4.733 4.733 910 1HD1 ILE 119 2HD1 ILE 119 6.154 6.588 6.588 911 2HD1 ILE 119 1HD1 ILE 119 5.313 7.277 7.277 912 3HD1 ILE 119 3HD1 ILE 119 6.884 6.521 6.521 913 H ASP 120 H ASP 120 7.925 1.889 1.889 914 HA ASP 120 HA ASP 120 8.469 0.065 0.065 915 1HB ASP 120 2HB ASP 120 10.039 1.410 1.410 916 2HB ASP 120 1HB ASP 120 9.863 -0.011 -0.011 917 H VAL 121 H VAL 121 7.465 -0.461 -0.461 918 HA VAL 121 HA VAL 121 7.392 -3.340 -3.340 919 HB VAL 121 HB VAL 121 6.348 -3.109 -3.109 920 1HG1 VAL 121 1HG1 VAL 121 8.452 -1.034 -1.034 921 2HG1 VAL 121 3HG1 VAL 121 7.961 -1.740 -1.740 922 3HG1 VAL 121 2HG1 VAL 121 8.692 -2.742 -2.742 923 1HG2 VAL 121 2HG2 VAL 121 4.674 -1.374 -1.374 924 2HG2 VAL 121 1HG2 VAL 121 5.585 -1.036 -1.036 925 3HG2 VAL 121 3HG2 VAL 121 5.988 -0.235 -0.235 926 H MET 122 H MET 122 5.362 -0.830 -0.830 927 HA MET 122 HA MET 122 2.928 -2.445 -2.445 928 1HB MET 122 2HB MET 122 3.720 0.295 0.295 929 2HB MET 122 1HB MET 122 2.251 -0.476 -0.476 930 1HG MET 122 2HG MET 122 1.406 -0.621 -0.621 931 2HG MET 122 1HG MET 122 2.913 -0.209 -0.209 932 1HE MET 122 1HE MET 122 -0.119 0.535 0.535 933 2HE MET 122 3HE MET 122 0.484 1.755 1.755 934 3HE MET 122 2HE MET 122 -0.485 2.215 2.215 935 H ARG 123 H ARG 123 5.238 -1.128 -1.128 936 HA ARG 123 HA ARG 123 4.129 -2.329 -2.329 937 1HB ARG 123 2HB ARG 123 7.125 -2.359 -2.359 938 2HB ARG 123 1HB ARG 123 6.466 -2.545 -2.545 939 1HG ARG 123 2HG ARG 123 5.447 -0.189 -0.189 940 2HG ARG 123 1HG ARG 123 6.392 -0.040 -0.040 941 1HD ARG 123 2HD ARG 123 7.359 -0.161 -0.161 942 2HD ARG 123 1HD ARG 123 7.905 0.914 0.914 943 HE ARG 123 HE ARG 123 8.819 -1.837 -1.837 944 1HH1 ARG 123 2HH1 ARG 123 8.715 0.804 0.804 945 2HH1 ARG 123 1HH1 ARG 123 10.069 0.219 0.219 946 1HH2 ARG 123 1HH2 ARG 123 10.639 -2.571 -2.571 947 2HH2 ARG 123 2HH2 ARG 123 11.086 -1.685 -1.685 948 H GLY 124 H GLY 124 6.348 -3.869 -3.869 949 1HA GLY 124 2HA GLY 124 6.285 -6.467 -6.467 950 2HA GLY 124 1HA GLY 124 6.614 -6.169 -6.169 951 H LEU 125 H LEU 125 4.315 -5.151 -5.151 952 HA LEU 125 HA LEU 125 2.625 -7.400 -7.400 953 1HB LEU 125 2HB LEU 125 2.665 -5.349 -5.349 954 2HB LEU 125 1HB LEU 125 2.049 -4.393 -4.393 955 HG LEU 125 HG LEU 125 0.355 -6.742 -6.742 956 1HD1 LEU 125 2HD1 LEU 125 1.007 -5.653 -5.653 957 2HD1 LEU 125 1HD1 LEU 125 0.479 -4.108 -4.108 958 3HD1 LEU 125 3HD1 LEU 125 -0.676 -5.408 -5.408 959 1HD2 LEU 125 2HD2 LEU 125 -0.185 -3.837 -3.837 960 2HD2 LEU 125 1HD2 LEU 125 -0.343 -5.217 -5.217 961 3HD2 LEU 125 3HD2 LEU 125 -1.420 -5.032 -5.032 962 H LEU 126 H LEU 126 2.038 -4.724 -4.724 963 HA LEU 126 HA LEU 126 -0.221 -5.847 -5.847 964 1HB LEU 126 2HB LEU 126 1.904 -3.937 -3.937 965 2HB LEU 126 1HB LEU 126 0.852 -4.614 -4.614 966 HG LEU 126 HG LEU 126 -1.051 -4.047 -4.047 967 1HD1 LEU 126 3HD1 LEU 126 1.067 -2.024 -2.024 968 2HD1 LEU 126 2HD1 LEU 126 -0.627 -2.029 -2.029 969 3HD1 LEU 126 1HD1 LEU 126 0.405 -3.249 -3.249 970 1HD2 LEU 126 2HD2 LEU 126 -0.914 -2.988 -2.988 971 2HD2 LEU 126 1HD2 LEU 126 -1.490 -2.032 -2.032 972 3HD2 LEU 126 3HD2 LEU 126 0.131 -1.764 -1.764 973 H SER 127 H SER 127 3.123 -6.241 -6.241 974 HA SER 127 HA SER 127 2.347 -8.039 -8.039 975 1HB SER 127 2HB SER 127 4.861 -7.154 -7.154 976 2HB SER 127 1HB SER 127 4.899 -8.841 -8.841 977 HG SER 127 HG SER 127 5.419 -8.937 -8.937 978 H ASN 128 H ASN 128 3.248 -8.776 -8.776 979 HA ASN 128 HA ASN 128 2.865 -11.541 -11.541 980 1HB ASN 128 2HB ASN 128 2.124 -9.541 -9.541 981 2HB ASN 128 1HB ASN 128 1.912 -11.261 -11.261 982 1HD2 ASN 128 2HD2 ASN 128 5.444 -9.792 -9.792 983 2HD2 ASN 128 1HD2 ASN 128 4.053 -8.821 -8.821 984 H VAL 129 H VAL 129 0.447 -8.919 -8.919 985 HA VAL 129 HA VAL 129 -1.733 -10.795 -10.795 986 HB VAL 129 HB VAL 129 -1.491 -7.891 -7.891 987 1HG1 VAL 129 1HG1 VAL 129 -4.069 -9.548 -9.548 988 2HG1 VAL 129 3HG1 VAL 129 -4.095 -7.828 -7.828 989 3HG1 VAL 129 2HG1 VAL 129 -3.437 -8.668 -8.668 990 1HG2 VAL 129 3HG2 VAL 129 -3.069 -9.429 -9.429 991 2HG2 VAL 129 2HG2 VAL 129 -1.543 -8.593 -8.593 992 3HG2 VAL 129 1HG2 VAL 129 -2.988 -7.678 -7.678 993 H LEU 130 H LEU 130 -0.965 -8.767 -8.767 994 HA LEU 130 HA LEU 130 -2.723 -10.130 -10.130 995 1HB LEU 130 2HB LEU 130 -1.041 -7.885 -7.885 996 2HB LEU 130 1HB LEU 130 -0.306 -8.968 -8.968 997 HG LEU 130 HG LEU 130 -1.956 -7.535 -7.535 998 1HD1 LEU 130 1HD1 LEU 130 -1.822 -9.914 -9.914 999 2HD1 LEU 130 3HD1 LEU 130 -3.122 -10.357 -10.357 1000 3HD1 LEU 130 2HD1 LEU 130 -3.433 -9.264 -9.264 1001 1HD2 LEU 130 1HD2 LEU 130 -3.314 -7.028 -7.028 1002 2HD2 LEU 130 3HD2 LEU 130 -4.330 -7.533 -7.533 1003 3HD2 LEU 130 2HD2 LEU 130 -3.990 -8.638 -8.638 1004 H CYS 131 H CYS 131 0.190 -11.109 -11.109 1005 HA CYS 131 HA CYS 131 0.763 -12.996 -12.996 1006 1HB CYS 131 2HB CYS 131 2.585 -11.813 -11.813 1007 2HB CYS 131 1HB CYS 131 2.070 -12.593 -12.593 1008 H ARG 132 H ARG 132 0.038 -13.192 -13.192 1009 HA ARG 132 HA ARG 132 -0.516 -16.002 -16.002 1010 1HB ARG 132 2HB ARG 132 -0.983 -13.868 -13.868 1011 2HB ARG 132 1HB ARG 132 -2.306 -15.004 -15.004 1012 1HG ARG 132 2HG ARG 132 -1.069 -16.279 -16.279 1013 2HG ARG 132 1HG ARG 132 -0.188 -16.764 -16.764 1014 1HD ARG 132 2HD ARG 132 0.571 -14.444 -14.444 1015 2HD ARG 132 1HD ARG 132 1.404 -16.012 -16.012 1016 HE ARG 132 HE ARG 132 1.262 -14.878 -14.878 1017 1HH1 ARG 132 2HH1 ARG 132 2.761 -14.414 -14.414 1018 2HH1 ARG 132 1HH1 ARG 132 4.125 -13.546 -13.546 1019 1HH2 ARG 132 1HH2 ARG 132 3.120 -13.884 -13.884 1020 2HH2 ARG 132 2HH2 ARG 132 4.353 -13.316 -13.316 1021 H LEU 133 H LEU 133 -2.674 -13.239 -13.239 1022 HA LEU 133 HA LEU 133 -5.140 -14.339 -14.339 1023 1HB LEU 133 2HB LEU 133 -3.915 -11.976 -11.976 1024 2HB LEU 133 1HB LEU 133 -4.921 -12.709 -12.709 1025 HG LEU 133 HG LEU 133 -6.823 -12.802 -12.802 1026 1HD1 LEU 133 3HD1 LEU 133 -5.459 -12.637 -12.637 1027 2HD1 LEU 133 2HD1 LEU 133 -4.993 -11.010 -11.010 1028 3HD1 LEU 133 1HD1 LEU 133 -6.666 -11.366 -11.366 1029 1HD2 LEU 133 3HD2 LEU 133 -6.694 -10.971 -10.971 1030 2HD2 LEU 133 2HD2 LEU 133 -7.385 -10.476 -10.476 1031 3HD2 LEU 133 1HD2 LEU 133 -5.735 -10.015 -10.015 1032 H CYS 134 H CYS 134 -2.844 -14.436 -14.436 1033 HA CYS 134 HA CYS 134 -4.138 -15.509 -15.509 1034 1HB CYS 134 2HB CYS 134 -1.554 -16.577 -16.577 1035 2HB CYS 134 1HB CYS 134 -2.025 -16.792 -16.792 1036 H ASN 135 H ASN 135 -3.061 -17.430 -17.430 1037 HA ASN 135 HA ASN 135 -3.811 -20.012 -20.012 1038 1HB ASN 135 2HB ASN 135 -4.058 -18.450 -18.450 1039 2HB ASN 135 1HB ASN 135 -4.652 -20.107 -20.107 1040 1HD2 ASN 135 2HD2 ASN 135 -1.353 -21.397 -21.397 1041 2HD2 ASN 135 1HD2 ASN 135 -3.012 -21.766 -21.766 1042 H LYS 136 H LYS 136 -6.187 -17.644 -17.644 1043 HA LYS 136 HA LYS 136 -8.282 -19.337 -19.337 1044 1HB LYS 136 2HB LYS 136 -8.499 -17.999 -17.999 1045 2HB LYS 136 1HB LYS 136 -9.888 -18.633 -18.633 1046 1HG LYS 136 2HG LYS 136 -8.248 -20.843 -20.843 1047 2HG LYS 136 1HG LYS 136 -7.668 -20.084 -20.084 1048 1HD LYS 136 2HD LYS 136 -10.603 -20.682 -20.682 1049 2HD LYS 136 1HD LYS 136 -9.614 -21.755 -21.755 1050 1HE LYS 136 2HE LYS 136 -10.270 -18.871 -18.871 1051 2HE LYS 136 1HE LYS 136 -11.166 -20.273 -20.273 1052 1HZ LYS 136 3HZ LYS 136 -8.355 -20.641 -20.641 1053 2HZ LYS 136 2HZ LYS 136 -8.910 -19.201 -19.201 1054 3HZ LYS 136 1HZ LYS 136 -9.645 -20.670 -20.670 1055 H TYR 137 H TYR 137 -6.791 -16.663 -16.663 1056 HA TYR 137 HA TYR 137 -9.016 -15.264 -15.264 1057 1HB TYR 137 2HB TYR 137 -7.326 -13.614 -13.614 1058 2HB TYR 137 1HB TYR 137 -8.939 -13.264 -13.264 1059 HD1 TYR 137 HD2 TYR 137 -10.932 -14.364 -14.364 1060 HD2 TYR 137 HD1 TYR 137 -6.985 -15.088 -15.088 1061 HE1 TYR 137 HE2 TYR 137 -11.819 -15.376 -15.376 1062 HE2 TYR 137 HE1 TYR 137 -7.840 -16.075 -16.075 1063 HH TYR 137 HH TYR 137 -9.672 -16.529 -16.529 1064 H ARG 138 H ARG 138 -7.215 -16.397 -16.397 1065 HA ARG 138 HA ARG 138 -4.981 -14.494 -14.494 1066 1HB ARG 138 2HB ARG 138 -4.097 -16.237 -16.237 1067 2HB ARG 138 1HB ARG 138 -4.258 -16.879 -16.879 1068 1HG ARG 138 2HG ARG 138 -6.617 -17.765 -17.765 1069 2HG ARG 138 1HG ARG 138 -5.909 -17.489 -17.489 1070 1HD ARG 138 2HD ARG 138 -3.915 -18.809 -18.809 1071 2HD ARG 138 1HD ARG 138 -4.729 -19.227 -19.227 1072 HE ARG 138 HE ARG 138 -6.598 -20.080 -20.080 1073 1HH1 ARG 138 2HH1 ARG 138 -3.195 -20.347 -20.347 1074 2HH1 ARG 138 1HH1 ARG 138 -3.246 -21.748 -21.748 1075 1HH2 ARG 138 1HH2 ARG 138 -6.773 -21.930 -21.930 1076 2HH2 ARG 138 2HH2 ARG 138 -5.387 -22.719 -22.719 1077 H VAL 139 H VAL 139 -8.035 -15.361 -15.361 1078 HA VAL 139 HA VAL 139 -8.284 -15.183 -15.183 1079 HB VAL 139 HB VAL 139 -10.183 -14.789 -14.789 1080 1HG1 VAL 139 1HG1 VAL 139 -9.098 -13.330 -13.330 1081 2HG1 VAL 139 3HG1 VAL 139 -9.060 -11.995 -11.995 1082 3HG1 VAL 139 2HG1 VAL 139 -10.590 -12.620 -12.620 1083 1HG2 VAL 139 1HG2 VAL 139 -10.460 -14.057 -14.057 1084 2HG2 VAL 139 3HG2 VAL 139 -11.377 -13.024 -13.024 1085 3HG2 VAL 139 2HG2 VAL 139 -9.869 -12.453 -12.453 1086 H GLY 140 H GLY 140 -7.230 -12.188 -12.188 1087 1HA GLY 140 2HA GLY 140 -5.272 -11.114 -11.114 1088 2HA GLY 140 1HA GLY 140 -6.223 -11.255 -11.255 1089 H HIS 141 H HIS 141 -8.596 -10.360 -10.360 1090 HA HIS 141 HA HIS 141 -8.029 -7.469 -7.469 1091 1HB HIS 141 2HB HIS 141 -10.525 -9.067 -9.067 1092 2HB HIS 141 1HB HIS 141 -10.497 -7.310 -7.310 1093 HD1 HIS 141 HD1 HIS 141 -10.858 -8.187 -8.187 1094 HD2 HIS 141 HD2 HIS 141 -7.073 -7.969 -7.969 1095 HE1 HIS 141 HE1 HIS 141 -9.340 -8.028 -8.028 1096 H VAL 142 H VAL 142 -7.246 -7.777 -7.777 1097 HA VAL 142 HA VAL 142 -9.185 -7.958 -7.958 1098 HB VAL 142 HB VAL 142 -6.912 -9.008 -9.008 1099 1HG1 VAL 142 1HG1 VAL 142 -5.584 -7.480 -7.480 1100 2HG1 VAL 142 3HG1 VAL 142 -5.751 -6.193 -6.193 1101 3HG1 VAL 142 2HG1 VAL 142 -4.847 -7.619 -7.619 1102 1HG2 VAL 142 1HG2 VAL 142 -7.280 -6.401 -6.401 1103 2HG2 VAL 142 3HG2 VAL 142 -8.040 -7.943 -7.943 1104 3HG2 VAL 142 2HG2 VAL 142 -6.305 -7.751 -7.751 1105 H ASP 143 H ASP 143 -6.948 -5.802 -5.802 1106 HA ASP 143 HA ASP 143 -6.939 -3.589 -3.589 1107 1HB ASP 143 2HB ASP 143 -9.489 -3.930 -3.930 1108 2HB ASP 143 1HB ASP 143 -9.686 -3.422 -3.422 1109 H VAL 144 H VAL 144 -7.136 -1.670 -1.670 1110 HA VAL 144 HA VAL 144 -6.473 -1.446 -1.446 1111 HB VAL 144 HB VAL 144 -4.970 0.025 0.025 1112 1HG1 VAL 144 1HG1 VAL 144 -4.375 -0.300 -0.300 1113 2HG1 VAL 144 3HG1 VAL 144 -3.350 0.549 0.549 1114 3HG1 VAL 144 2HG1 VAL 144 -4.943 1.166 1.166 1115 1HG2 VAL 144 1HG2 VAL 144 -4.086 -2.462 -2.462 1116 2HG2 VAL 144 3HG2 VAL 144 -4.448 -2.409 -2.409 1117 3HG2 VAL 144 2HG2 VAL 144 -3.061 -1.538 -1.538 1118 HA PRO 145 HA PRO 145 -10.061 1.437 1.437 1119 1HB PRO 145 2HB PRO 145 -10.711 1.251 1.251 1120 2HB PRO 145 1HB PRO 145 -11.602 0.613 0.613 1121 1HG PRO 145 2HG PRO 145 -9.453 -0.767 -0.767 1122 2HG PRO 145 1HG PRO 145 -10.929 -1.477 -1.477 1123 1HD PRO 145 2HD PRO 145 -8.632 -1.985 -1.985 1124 2HD PRO 145 1HD PRO 145 -9.973 -1.446 -1.446 1125 HA PRO 146 HA PRO 146 -7.153 4.583 4.583 1126 1HB PRO 146 2HB PRO 146 -7.417 6.432 6.432 1127 2HB PRO 146 1HB PRO 146 -6.563 4.914 4.914 1128 1HG PRO 146 2HG PRO 146 -9.517 5.557 5.557 1129 2HG PRO 146 1HG PRO 146 -8.328 4.911 4.911 1130 1HD PRO 146 2HD PRO 146 -10.037 3.264 3.264 1131 2HD PRO 146 1HD PRO 146 -8.377 2.719 2.719 1132 H VAL 147 H VAL 147 -7.424 7.039 7.039 1133 HA VAL 147 HA VAL 147 -10.178 7.739 7.739 1134 HB VAL 147 HB VAL 147 -9.094 8.745 8.745 1135 1HG1 VAL 147 1HG1 VAL 147 -8.805 5.725 5.725 1136 2HG1 VAL 147 3HG1 VAL 147 -8.877 6.525 6.525 1137 3HG1 VAL 147 2HG1 VAL 147 -10.272 6.556 6.556 1138 1HG2 VAL 147 2HG2 VAL 147 -6.769 8.846 8.846 1139 2HG2 VAL 147 1HG2 VAL 147 -6.845 7.949 7.949 1140 3HG2 VAL 147 3HG2 VAL 147 -6.693 7.091 7.091 1141 HA PRO 148 HA PRO 148 -8.736 11.974 11.974 1142 1HB PRO 148 2HB PRO 148 -10.256 13.499 13.499 1143 2HB PRO 148 1HB PRO 148 -11.003 12.663 12.663 1144 1HG PRO 148 2HG PRO 148 -10.757 11.656 11.656 1145 2HG PRO 148 1HG PRO 148 -12.236 11.823 11.823 1146 1HD PRO 148 2HD PRO 148 -10.947 9.439 9.439 1147 2HD PRO 148 1HD PRO 148 -11.660 9.948 9.948 1148 H ASP 149 H ASP 149 -8.192 13.992 13.992 1149 HA ASP 149 HA ASP 149 -6.207 12.813 12.813 1150 1HB ASP 149 2HB ASP 149 -6.108 15.481 15.481 1151 2HB ASP 149 1HB ASP 149 -4.838 14.824 14.824 1152 H HIS 150 H HIS 150 -6.152 15.857 15.857 1153 HA HIS 150 HA HIS 150 -8.240 16.085 16.085 1154 1HB HIS 150 2HB HIS 150 -5.388 17.098 17.098 1155 2HB HIS 150 1HB HIS 150 -6.522 16.911 16.911 1156 HD1 HIS 150 HD1 HIS 150 -6.494 14.655 14.655 1157 HD2 HIS 150 HD2 HIS 150 -4.399 14.582 14.582 1158 HE1 HIS 150 HE1 HIS 150 -5.307 12.473 12.473 1159 H SER 151 H SER 151 -8.281 17.106 17.106 1160 HA SER 151 HA SER 151 -7.562 19.942 19.942 1161 1HB SER 151 2HB SER 151 -7.460 18.680 18.680 1162 2HB SER 151 1HB SER 151 -9.188 18.308 18.308 1163 HG SER 151 HG SER 151 -9.632 20.474 20.474 1164 H ASP 152 H ASP 152 -8.992 19.554 19.554 1165 HA ASP 152 HA ASP 152 -11.713 20.687 20.687 1166 1HB ASP 152 2HB ASP 152 -11.627 18.439 18.439 1167 2HB ASP 152 1HB ASP 152 -10.756 19.266 19.266 1168 H LYS 153 H LYS 153 -8.808 20.713 20.713 1169 HA LYS 153 HA LYS 153 -9.161 23.655 23.655 1170 1HB LYS 153 2HB LYS 153 -8.289 21.612 21.612 1171 2HB LYS 153 1HB LYS 153 -8.375 23.351 23.351 1172 1HG LYS 153 2HG LYS 153 -10.780 23.347 23.347 1173 2HG LYS 153 1HG LYS 153 -10.712 21.615 21.615 1174 1HD LYS 153 2HD LYS 153 -10.150 21.352 21.352 1175 2HD LYS 153 1HD LYS 153 -10.017 23.098 23.098 1176 1HE LYS 153 2HE LYS 153 -12.241 22.317 22.317 1177 2HE LYS 153 1HE LYS 153 -12.408 23.388 23.388 1178 1HZ LYS 153 3HZ LYS 153 -12.127 20.769 20.769 1179 2HZ LYS 153 2HZ LYS 153 -13.356 20.720 20.720 1180 3HZ LYS 153 1HZ LYS 153 -13.392 21.725 21.725 1181 H GLU 154 H GLU 154 -7.195 24.768 24.768 1182 HA GLU 154 HA GLU 154 -5.168 23.453 23.453 1183 1HB GLU 154 2HB GLU 154 -5.501 26.325 26.325 1184 2HB GLU 154 1HB GLU 154 -4.202 25.801 25.801 1185 1HG GLU 154 2HG GLU 154 -7.062 25.139 25.139 1186 2HG GLU 154 1HG GLU 154 -6.403 26.730 26.730 1187 H VAL 155 H VAL 155 -3.905 25.796 25.796 1188 HA VAL 155 HA VAL 155 -1.443 24.712 24.712 1189 HB VAL 155 HB VAL 155 -3.294 25.852 25.852 1190 1HG1 VAL 155 2HG1 VAL 155 -1.289 24.674 24.674 1191 2HG1 VAL 155 1HG1 VAL 155 -0.238 25.650 25.650 1192 3HG1 VAL 155 3HG1 VAL 155 -1.179 26.403 26.403 1193 1HG2 VAL 155 2HG2 VAL 155 -1.213 27.240 27.240 1194 2HG2 VAL 155 1HG2 VAL 155 -2.948 27.424 27.424 1195 3HG2 VAL 155 3HG2 VAL 155 -2.143 28.003 28.003 1196 H PHE 156 H PHE 156 -4.337 23.981 23.981 1197 HA PHE 156 HA PHE 156 -3.747 21.946 21.946 1198 1HB PHE 156 2HB PHE 156 -6.201 21.923 21.923 1199 2HB PHE 156 1HB PHE 156 -6.149 21.320 21.320 1200 HD1 PHE 156 HD2 PHE 156 -6.259 24.374 24.374 1201 HD2 PHE 156 HD1 PHE 156 -6.396 22.782 22.782 1202 HE1 PHE 156 HE2 PHE 156 -7.079 26.518 26.518 1203 HE2 PHE 156 HE1 PHE 156 -7.232 24.935 24.935 1204 HZ PHE 156 HZ PHE 156 -7.573 26.795 26.795 1205 H GLN 157 H GLN 157 -4.900 21.417 21.417 1206 HA GLN 157 HA GLN 157 -4.508 18.701 18.701 1207 1HB GLN 157 2HB GLN 157 -5.515 19.843 19.843 1208 2HB GLN 157 1HB GLN 157 -4.271 21.038 21.038 1209 1HG GLN 157 2HG GLN 157 -2.790 19.314 19.314 1210 2HG GLN 157 1HG GLN 157 -4.089 18.153 18.153 1211 1HE2 GLN 157 2HE2 GLN 157 -5.587 21.155 21.155 1212 2HE2 GLN 157 1HE2 GLN 157 -5.576 21.176 21.176 1213 H LYS 158 H LYS 158 -2.161 21.118 21.118 1214 HA LYS 158 HA LYS 158 -0.099 19.328 19.328 1215 1HB LYS 158 2HB LYS 158 -0.277 21.947 21.947 1216 2HB LYS 158 1HB LYS 158 0.310 22.069 22.069 1217 1HG LYS 158 2HG LYS 158 2.169 22.432 22.432 1218 2HG LYS 158 1HG LYS 158 2.472 20.939 20.939 1219 1HD LYS 158 2HD LYS 158 1.700 19.546 19.546 1220 2HD LYS 158 1HD LYS 158 1.109 20.894 20.894 1221 1HE LYS 158 2HE LYS 158 3.990 21.004 21.004 1222 2HE LYS 158 1HE LYS 158 3.631 19.751 19.751 1223 1HZ LYS 158 2HZ LYS 158 2.386 22.159 22.159 1224 2HZ LYS 158 1HZ LYS 158 3.994 22.486 22.486 1225 3HZ LYS 158 3HZ LYS 158 3.667 21.312 21.312 1226 H LYS 159 H LYS 159 -1.140 20.035 20.035 1227 HA LYS 159 HA LYS 159 1.230 18.586 18.586 1228 1HB LYS 159 2HB LYS 159 -0.488 20.882 20.882 1229 2HB LYS 159 1HB LYS 159 0.064 19.804 19.804 1230 1HG LYS 159 2HG LYS 159 2.318 20.449 20.449 1231 2HG LYS 159 1HG LYS 159 2.220 20.500 20.500 1232 1HD LYS 159 2HD LYS 159 0.852 22.651 22.651 1233 2HD LYS 159 1HD LYS 159 2.588 22.721 22.721 1234 1HE LYS 159 2HE LYS 159 0.564 22.672 22.672 1235 2HE LYS 159 1HE LYS 159 1.515 24.065 24.065 1236 1HZ LYS 159 2HZ LYS 159 3.259 21.907 21.907 1237 2HZ LYS 159 1HZ LYS 159 2.255 22.013 22.013 1238 3HZ LYS 159 3HZ LYS 159 3.180 23.357 23.357 1239 H LYS 160 H LYS 160 -2.242 18.508 18.508 1240 HA LYS 160 HA LYS 160 -2.311 16.215 16.215 1241 1HB LYS 160 2HB LYS 160 -4.817 16.540 16.540 1242 2HB LYS 160 1HB LYS 160 -4.181 18.164 18.164 1243 1HG LYS 160 2HG LYS 160 -4.365 17.859 17.859 1244 2HG LYS 160 1HG LYS 160 -5.481 16.559 16.559 1245 1HD LYS 160 2HD LYS 160 -6.818 18.109 18.109 1246 2HD LYS 160 1HD LYS 160 -5.713 19.390 19.390 1247 1HE LYS 160 2HE LYS 160 -7.531 19.852 19.852 1248 2HE LYS 160 1HE LYS 160 -6.421 19.067 19.067 1249 1HZ LYS 160 1HZ LYS 160 -7.984 17.107 17.107 1250 2HZ LYS 160 3HZ LYS 160 -9.046 18.271 18.271 1251 3HZ LYS 160 2HZ LYS 160 -7.942 17.433 17.433 1252 H LEU 161 H LEU 161 -1.853 16.755 16.755 1253 HA LEU 161 HA LEU 161 -3.176 14.857 14.857 1254 1HB LEU 161 2HB LEU 161 -1.041 16.259 16.259 1255 2HB LEU 161 1HB LEU 161 -0.137 14.888 14.888 1256 HG LEU 161 HG LEU 161 -2.069 13.648 13.648 1257 1HD1 LEU 161 2HD1 LEU 161 -2.849 15.911 15.911 1258 2HD1 LEU 161 1HD1 LEU 161 -1.245 16.236 16.236 1259 3HD1 LEU 161 3HD1 LEU 161 -2.184 14.936 14.936 1260 1HD2 LEU 161 2HD2 LEU 161 0.673 14.609 14.609 1261 2HD2 LEU 161 1HD2 LEU 161 0.337 13.126 13.126 1262 3HD2 LEU 161 3HD2 LEU 161 -0.273 13.322 13.322 1263 H GLY 162 H GLY 162 -0.955 14.263 14.263 1264 1HA GLY 162 2HA GLY 162 -1.101 11.307 11.307 1265 2HA GLY 162 1HA GLY 162 0.016 12.175 12.175 1266 H CYS 163 H CYS 163 -1.738 13.916 13.916 1267 HA CYS 163 HA CYS 163 -2.660 12.661 12.661 1268 1HB CYS 163 2HB CYS 163 -2.117 15.150 15.150 1269 2HB CYS 163 1HB CYS 163 -3.775 15.242 15.242 1270 H GLN 164 H GLN 164 -4.706 14.102 14.102 1271 HA GLN 164 HA GLN 164 -7.187 13.171 13.171 1272 1HB GLN 164 2HB GLN 164 -6.152 14.272 14.272 1273 2HB GLN 164 1HB GLN 164 -6.945 12.783 12.783 1274 1HG GLN 164 2HG GLN 164 -9.051 13.573 13.573 1275 2HG GLN 164 1HG GLN 164 -8.226 15.059 15.059 1276 1HE2 GLN 164 2HE2 GLN 164 -10.081 15.007 15.007 1277 2HE2 GLN 164 1HE2 GLN 164 -10.496 14.034 14.034 1278 H LEU 165 H LEU 165 -4.600 11.470 11.470 1279 HA LEU 165 HA LEU 165 -6.072 8.937 8.937 1280 1HB LEU 165 2HB LEU 165 -3.553 10.105 10.105 1281 2HB LEU 165 1HB LEU 165 -3.333 8.486 8.486 1282 HG LEU 165 HG LEU 165 -5.075 7.622 7.622 1283 1HD1 LEU 165 3HD1 LEU 165 -5.595 10.519 10.519 1284 2HD1 LEU 165 2HD1 LEU 165 -6.380 9.130 9.130 1285 3HD1 LEU 165 1HD1 LEU 165 -6.711 9.556 9.556 1286 1HD2 LEU 165 1HD2 LEU 165 -2.842 8.064 8.064 1287 2HD2 LEU 165 3HD2 LEU 165 -4.104 8.281 8.281 1288 3HD2 LEU 165 2HD2 LEU 165 -3.355 9.672 9.672 1289 H LEU 166 H LEU 166 -3.436 10.392 10.392 1290 HA LEU 166 HA LEU 166 -3.210 7.954 7.954 1291 1HB LEU 166 2HB LEU 166 -2.491 10.811 10.811 1292 2HB LEU 166 1HB LEU 166 -2.693 9.833 9.833 1293 HG LEU 166 HG LEU 166 -0.324 9.809 9.809 1294 1HD1 LEU 166 3HD1 LEU 166 -1.927 7.252 7.252 1295 2HD1 LEU 166 2HD1 LEU 166 -0.219 7.196 7.196 1296 3HD1 LEU 166 1HD1 LEU 166 -0.889 7.981 7.981 1297 1HD2 LEU 166 3HD2 LEU 166 -0.833 9.720 9.720 1298 2HD2 LEU 166 2HD2 LEU 166 0.155 8.366 8.366 1299 3HD2 LEU 166 1HD2 LEU 166 -1.540 8.108 8.108 1300 H GLY 167 H GLY 167 -5.412 10.632 10.632 1301 1HA GLY 167 2HA GLY 167 -6.653 9.803 9.803 1302 2HA GLY 167 1HA GLY 167 -7.469 10.720 10.720 1303 H THR 168 H THR 168 -7.420 8.933 8.933 1304 HA THR 168 HA THR 168 -9.608 7.023 7.023 1305 HB THR 168 HB THR 168 -8.943 6.424 6.424 1306 HG1 THR 168 HG1 THR 168 -7.951 9.035 9.035 1307 1HG2 THR 168 1HG2 THR 168 -10.980 7.764 7.764 1308 2HG2 THR 168 3HG2 THR 168 -9.956 9.200 9.200 1309 3HG2 THR 168 2HG2 THR 168 -10.205 8.224 8.224 1310 H TYR 169 H TYR 169 -6.564 6.772 6.772 1311 HA TYR 169 HA TYR 169 -5.859 4.172 4.172 1312 1HB TYR 169 2HB TYR 169 -4.289 5.911 5.911 1313 2HB TYR 169 1HB TYR 169 -4.191 6.330 6.330 1314 HD1 TYR 169 HD1 TYR 169 -3.441 3.495 3.495 1315 HD2 TYR 169 HD2 TYR 169 -2.507 5.456 5.456 1316 HE1 TYR 169 HE1 TYR 169 -1.468 2.073 2.073 1317 HE2 TYR 169 HE2 TYR 169 -0.531 4.012 4.012 1318 HH TYR 169 HH TYR 169 0.866 3.031 3.031 1319 H LYS 170 H LYS 170 -5.567 6.087 6.087 1320 HA LYS 170 HA LYS 170 -4.866 3.857 3.857 1321 1HB LYS 170 2HB LYS 170 -4.750 6.408 6.408 1322 2HB LYS 170 1HB LYS 170 -6.448 6.304 6.304 1323 1HG LYS 170 2HG LYS 170 -4.940 4.094 4.094 1324 2HG LYS 170 1HG LYS 170 -4.205 5.619 5.619 1325 1HD LYS 170 2HD LYS 170 -5.769 5.166 5.166 1326 2HD LYS 170 1HD LYS 170 -6.373 6.511 6.511 1327 1HE LYS 170 2HE LYS 170 -8.163 4.874 4.874 1328 2HE LYS 170 1HE LYS 170 -8.005 5.035 5.035 1329 1HZ LYS 170 1HZ LYS 170 -6.224 3.003 3.003 1330 2HZ LYS 170 3HZ LYS 170 -7.764 2.673 2.673 1331 3HZ LYS 170 2HZ LYS 170 -7.539 2.834 2.834 1332 H GLN 171 H GLN 171 -8.084 5.318 5.318 1333 HA GLN 171 HA GLN 171 -9.363 3.283 3.283 1334 1HB GLN 171 2HB GLN 171 -10.521 4.918 4.918 1335 2HB GLN 171 1HB GLN 171 -11.462 3.916 3.916 1336 1HG GLN 171 2HG GLN 171 -10.673 5.341 5.341 1337 2HG GLN 171 1HG GLN 171 -9.853 6.400 6.400 1338 1HE2 GLN 171 2HE2 GLN 171 -13.588 7.266 7.266 1339 2HE2 GLN 171 1HE2 GLN 171 -12.525 6.622 6.622 1340 H VAL 172 H VAL 172 -8.793 3.386 3.386 1341 HA VAL 172 HA VAL 172 -10.242 0.913 0.913 1342 HB VAL 172 HB VAL 172 -9.509 1.545 1.545 1343 1HG1 VAL 172 1HG1 VAL 172 -9.928 4.037 4.037 1344 2HG1 VAL 172 3HG1 VAL 172 -10.104 3.915 3.915 1345 3HG1 VAL 172 2HG1 VAL 172 -11.174 3.016 3.016 1346 1HG2 VAL 172 2HG2 VAL 172 -7.525 3.309 3.309 1347 2HG2 VAL 172 1HG2 VAL 172 -7.069 1.810 1.810 1348 3HG2 VAL 172 3HG2 VAL 172 -7.742 3.148 3.148 1349 H ILE 173 H ILE 173 -6.785 1.738 1.738 1350 HA ILE 173 HA ILE 173 -5.656 -0.792 -0.792 1351 HB ILE 173 HB ILE 173 -4.811 1.583 1.583 1352 1HG1 ILE 173 2HG1 ILE 173 -4.694 1.612 1.612 1353 2HG1 ILE 173 1HG1 ILE 173 -3.272 2.076 2.076 1354 1HG2 ILE 173 2HG2 ILE 173 -3.207 -0.914 -0.914 1355 2HG2 ILE 173 1HG2 ILE 173 -2.596 0.645 0.645 1356 3HG2 ILE 173 3HG2 ILE 173 -3.847 -0.163 -0.163 1357 1HD1 ILE 173 1HD1 ILE 173 -3.737 -0.748 -0.748 1358 2HD1 ILE 173 3HD1 ILE 173 -2.781 0.469 0.469 1359 3HD1 ILE 173 2HD1 ILE 173 -2.270 -0.174 -0.174 1360 H SER 174 H SER 174 -6.824 0.774 0.774 1361 HA SER 174 HA SER 174 -6.336 -1.465 -1.465 1362 1HB SER 174 2HB SER 174 -8.037 -0.292 -0.292 1363 2HB SER 174 1HB SER 174 -6.516 0.518 0.518 1364 HG SER 174 HG SER 174 -8.744 0.953 0.953 1365 H VAL 175 H VAL 175 -8.142 -1.551 -1.551 1366 HA VAL 175 HA VAL 175 -10.201 -3.464 -3.464 1367 HB VAL 175 HB VAL 175 -10.422 -1.456 -1.456 1368 1HG1 VAL 175 1HG1 VAL 175 -12.237 -3.838 -3.838 1369 2HG1 VAL 175 3HG1 VAL 175 -12.515 -2.589 -2.589 1370 3HG1 VAL 175 2HG1 VAL 175 -11.164 -3.679 -3.679 1371 1HG2 VAL 175 1HG2 VAL 175 -11.084 -0.679 -0.679 1372 2HG2 VAL 175 3HG2 VAL 175 -12.458 -0.798 -0.798 1373 3HG2 VAL 175 2HG2 VAL 175 -12.186 -2.045 -2.045 1374 H VAL 176 H VAL 176 -7.755 -2.612 -2.612 1375 HA VAL 176 HA VAL 176 -8.365 -5.145 -5.145 1376 HB VAL 176 HB VAL 176 -6.821 -4.656 -4.656 1377 1HG1 VAL 176 2HG1 VAL 176 -8.887 -3.315 -3.315 1378 2HG1 VAL 176 1HG1 VAL 176 -8.035 -2.054 -2.054 1379 3HG1 VAL 176 3HG1 VAL 176 -7.595 -2.446 -2.446 1380 1HG2 VAL 176 3HG2 VAL 176 -5.703 -2.593 -2.593 1381 2HG2 VAL 176 2HG2 VAL 176 -4.867 -3.976 -3.976 1382 3HG2 VAL 176 1HG2 VAL 176 -5.297 -2.667 -2.667 1383 H VAL 177 H VAL 177 -6.084 -3.814 -3.814 1384 HA VAL 177 HA VAL 177 -4.108 -5.891 -5.891 1385 HB VAL 177 HB VAL 177 -4.102 -3.389 -3.389 1386 1HG1 VAL 177 1HG1 VAL 177 -6.063 -3.385 -3.385 1387 2HG1 VAL 177 3HG1 VAL 177 -5.195 -4.393 -4.393 1388 3HG1 VAL 177 2HG1 VAL 177 -4.624 -2.785 -2.785 1389 1HG2 VAL 177 2HG2 VAL 177 -2.980 -5.433 -5.433 1390 2HG2 VAL 177 1HG2 VAL 177 -2.174 -4.851 -4.851 1391 3HG2 VAL 177 3HG2 VAL 177 -2.482 -3.761 -3.761 1392 H GLN 178 H GLN 178 -7.211 -5.284 -5.284 1393 HA GLN 178 HA GLN 178 -7.200 -7.677 -7.677 1394 1HB GLN 178 2HB GLN 178 -8.527 -4.988 -4.988 1395 2HB GLN 178 1HB GLN 178 -9.581 -6.332 -6.332 1396 1HG GLN 178 2HG GLN 178 -8.514 -5.522 -5.522 1397 2HG GLN 178 1HG GLN 178 -7.917 -7.128 -7.128 1398 1HE2 GLN 178 2HE2 GLN 178 -4.603 -5.922 -5.922 1399 2HE2 GLN 178 1HE2 GLN 178 -5.653 -7.170 -7.170 1400 H ALA 179 H ALA 179 -7.444 -7.330 -7.330 1401 HA ALA 179 HA ALA 179 -10.101 -8.593 -8.593 1402 1HB ALA 179 1HB ALA 179 -8.104 -7.464 -7.464 1403 2HB ALA 179 3HB ALA 179 -9.657 -8.128 -8.128 1404 3HB ALA 179 2HB ALA 179 -9.584 -6.657 -6.657 1405 H PHE 180 H PHE 180 -6.683 -8.822 -8.822 1406 HA PHE 180 HA PHE 180 -6.871 -11.756 -11.756 1407 1HB PHE 180 2HB PHE 180 -4.947 -11.378 -11.378 1408 2HB PHE 180 1HB PHE 180 -6.541 -10.824 -10.824 1409 HD1 PHE 180 HD2 PHE 180 -3.409 -9.516 -9.516 1410 HD2 PHE 180 HD1 PHE 180 -6.843 -8.673 -8.673 1411 HE1 PHE 180 HE2 PHE 180 -2.602 -7.249 -7.249 1412 HE2 PHE 180 HE1 PHE 180 -6.053 -6.392 -6.392 1413 HZ PHE 180 HZ PHE 180 -3.897 -5.675 -5.675 Start of MODEL 20 1 1H SER 1 1H SER 1 14.406 -18.249 -18.249 2 2H SER 1 3H SER 1 15.754 -18.035 -18.035 3 3H SER 1 2H SER 1 15.738 -17.327 -17.327 4 HA SER 1 HA SER 1 16.621 -19.156 -19.156 5 1HB SER 1 2HB SER 1 16.878 -21.070 -21.070 6 2HB SER 1 1HB SER 1 18.080 -19.844 -19.844 7 HG SER 1 HG SER 1 17.536 -19.284 -19.284 8 HA PRO 2 HA PRO 2 13.272 -22.351 -22.351 9 1HB PRO 2 2HB PRO 2 11.567 -22.563 -22.563 10 2HB PRO 2 1HB PRO 2 13.231 -23.138 -23.138 11 1HG PRO 2 2HG PRO 2 12.079 -20.440 -20.440 12 2HG PRO 2 1HG PRO 2 13.073 -21.562 -21.562 13 1HD PRO 2 2HD PRO 2 14.142 -19.409 -19.409 14 2HD PRO 2 1HD PRO 2 15.087 -20.890 -20.890 15 H LEU 3 H LEU 3 11.569 -22.077 -22.077 16 HA LEU 3 HA LEU 3 9.950 -19.580 -19.580 17 1HB LEU 3 2HB LEU 3 11.555 -20.745 -20.745 18 2HB LEU 3 1HB LEU 3 9.920 -20.395 -20.395 19 HG LEU 3 HG LEU 3 11.475 -18.501 -18.501 20 1HD1 LEU 3 3HD1 LEU 3 9.325 -17.874 -17.874 21 2HD1 LEU 3 2HD1 LEU 3 10.030 -16.713 -16.713 22 3HD1 LEU 3 1HD1 LEU 3 9.069 -18.041 -18.041 23 1HD2 LEU 3 2HD2 LEU 3 13.019 -18.780 -18.780 24 2HD2 LEU 3 1HD2 LEU 3 12.387 -17.144 -17.144 25 3HD2 LEU 3 3HD2 LEU 3 11.741 -18.263 -18.263 26 HA PRO 4 HA PRO 4 7.041 -23.105 -23.105 27 1HB PRO 4 2HB PRO 4 4.963 -21.818 -21.818 28 2HB PRO 4 1HB PRO 4 6.381 -22.370 -22.370 29 1HG PRO 4 2HG PRO 4 5.880 -19.576 -19.576 30 2HG PRO 4 1HG PRO 4 6.301 -19.968 -19.968 31 1HD PRO 4 2HD PRO 4 8.222 -19.251 -19.251 32 2HD PRO 4 1HD PRO 4 8.574 -20.543 -20.543 33 H ILE 5 H ILE 5 4.697 -23.224 -23.224 34 HA ILE 5 HA ILE 5 4.354 -22.868 -22.868 35 HB ILE 5 HB ILE 5 2.099 -22.479 -22.479 36 1HG1 ILE 5 2HG1 ILE 5 3.297 -24.563 -24.563 37 2HG1 ILE 5 1HG1 ILE 5 1.752 -24.937 -24.937 38 1HG2 ILE 5 2HG2 ILE 5 1.992 -23.514 -23.514 39 2HG2 ILE 5 1HG2 ILE 5 0.630 -23.448 -23.448 40 3HG2 ILE 5 3HG2 ILE 5 1.387 -21.969 -21.969 41 1HD1 ILE 5 3HD1 ILE 5 4.412 -25.006 -25.006 42 2HD1 ILE 5 2HD1 ILE 5 3.533 -26.399 -26.399 43 3HD1 ILE 5 1HD1 ILE 5 2.845 -25.408 -25.408 44 H THR 6 H THR 6 3.759 -20.377 -20.377 45 HA THR 6 HA THR 6 2.966 -18.173 -18.173 46 HB THR 6 HB THR 6 5.363 -18.282 -18.282 47 HG1 THR 6 HG1 THR 6 6.113 -19.134 -19.134 48 1HG2 THR 6 3HG2 THR 6 4.433 -16.169 -16.169 49 2HG2 THR 6 2HG2 THR 6 5.849 -16.064 -16.064 50 3HG2 THR 6 1HG2 THR 6 4.241 -15.997 -15.997 51 HA PRO 7 HA PRO 7 0.841 -19.232 -19.232 52 1HB PRO 7 2HB PRO 7 -1.700 -18.508 -18.508 53 2HB PRO 7 1HB PRO 7 -1.031 -20.129 -20.129 54 1HG PRO 7 2HG PRO 7 -0.990 -17.964 -17.964 55 2HG PRO 7 1HG PRO 7 -1.465 -19.659 -19.659 56 1HD PRO 7 2HD PRO 7 0.988 -18.987 -18.987 57 2HD PRO 7 1HD PRO 7 0.794 -20.449 -20.449 58 H VAL 8 H VAL 8 -0.159 -16.490 -16.490 59 HA VAL 8 HA VAL 8 0.269 -14.234 -14.234 60 HB VAL 8 HB VAL 8 0.674 -14.703 -14.703 61 1HG1 VAL 8 1HG1 VAL 8 1.037 -12.193 -12.193 62 2HG1 VAL 8 3HG1 VAL 8 1.419 -12.306 -12.306 63 3HG1 VAL 8 2HG1 VAL 8 -0.234 -12.404 -12.404 64 1HG2 VAL 8 1HG2 VAL 8 2.600 -14.017 -14.017 65 2HG2 VAL 8 3HG2 VAL 8 2.516 -15.581 -15.581 66 3HG2 VAL 8 2HG2 VAL 8 3.036 -14.179 -14.179 67 H ASN 9 H ASN 9 -1.601 -13.765 -13.765 68 HA ASN 9 HA ASN 9 -3.899 -13.643 -13.643 69 1HB ASN 9 2HB ASN 9 -5.177 -12.971 -12.971 70 2HB ASN 9 1HB ASN 9 -4.624 -14.621 -14.621 71 1HD2 ASN 9 2HD2 ASN 9 -2.343 -14.005 -14.005 72 2HD2 ASN 9 1HD2 ASN 9 -2.894 -15.135 -15.135 73 H ALA 10 H ALA 10 -2.111 -11.740 -11.740 74 HA ALA 10 HA ALA 10 -2.637 -9.280 -9.280 75 1HB ALA 10 1HB ALA 10 -2.767 -9.488 -9.488 76 2HB ALA 10 3HB ALA 10 -2.838 -7.979 -7.979 77 3HB ALA 10 2HB ALA 10 -4.094 -9.165 -9.165 78 H THR 11 H THR 11 -0.848 -9.505 -9.505 79 HA THR 11 HA THR 11 1.666 -9.478 -9.478 80 HB THR 11 HB THR 11 2.272 -7.685 -7.685 81 HG1 THR 11 HG1 THR 11 -0.392 -7.442 -7.442 82 1HG2 THR 11 1HG2 THR 11 1.049 -7.020 -7.020 83 2HG2 THR 11 3HG2 THR 11 2.067 -5.959 -5.959 84 3HG2 THR 11 2HG2 THR 11 2.732 -7.421 -7.421 85 H CYS 12 H CYS 12 0.172 -10.993 -10.993 86 HA CYS 12 HA CYS 12 1.496 -11.542 -11.542 87 1HB CYS 12 2HB CYS 12 -0.237 -12.927 -12.927 88 2HB CYS 12 1HB CYS 12 0.803 -13.586 -13.586 89 H ALA 13 H ALA 13 2.620 -12.653 -12.653 90 HA ALA 13 HA ALA 13 4.961 -14.025 -14.025 91 1HB ALA 13 1HB ALA 13 4.446 -12.067 -12.067 92 2HB ALA 13 3HB ALA 13 5.696 -13.306 -13.306 93 3HB ALA 13 2HB ALA 13 4.008 -13.774 -13.774 94 H ILE 14 H ILE 14 4.801 -10.518 -10.518 95 HA ILE 14 HA ILE 14 7.660 -10.463 -10.463 96 HB ILE 14 HB ILE 14 7.575 -8.046 -8.046 97 1HG1 ILE 14 2HG1 ILE 14 5.902 -7.483 -7.483 98 2HG1 ILE 14 1HG1 ILE 14 5.003 -8.941 -8.941 99 1HG2 ILE 14 1HG2 ILE 14 7.171 -10.290 -10.290 100 2HG2 ILE 14 3HG2 ILE 14 7.877 -8.727 -8.727 101 3HG2 ILE 14 2HG2 ILE 14 8.693 -9.823 -9.823 102 1HD1 ILE 14 3HD1 ILE 14 5.547 -6.710 -6.710 103 2HD1 ILE 14 2HD1 ILE 14 4.067 -6.895 -6.895 104 3HD1 ILE 14 1HD1 ILE 14 4.524 -8.118 -8.118 105 H ARG 15 H ARG 15 5.228 -10.780 -10.780 106 HA ARG 15 HA ARG 15 5.452 -8.256 -8.256 107 1HB ARG 15 2HB ARG 15 3.372 -10.519 -10.519 108 2HB ARG 15 1HB ARG 15 3.387 -9.164 -9.164 109 1HG ARG 15 2HG ARG 15 3.437 -7.612 -7.612 110 2HG ARG 15 1HG ARG 15 3.190 -9.039 -9.039 111 1HD ARG 15 2HD ARG 15 0.998 -9.432 -9.432 112 2HD ARG 15 1HD ARG 15 1.234 -8.246 -8.246 113 HE ARG 15 HE ARG 15 0.856 -7.670 -7.670 114 1HH1 ARG 15 2HH1 ARG 15 1.187 -6.457 -6.457 115 2HH1 ARG 15 1HH1 ARG 15 0.543 -4.918 -4.918 116 1HH2 ARG 15 1HH2 ARG 15 0.169 -5.757 -5.757 117 2HH2 ARG 15 2HH2 ARG 15 0.024 -4.445 -4.445 118 H HIS 16 H HIS 16 4.808 -11.525 -11.525 119 HA HIS 16 HA HIS 16 7.235 -11.523 -11.523 120 1HB HIS 16 2HB HIS 16 4.493 -11.181 -11.181 121 2HB HIS 16 1HB HIS 16 5.128 -12.690 -12.690 122 HD1 HIS 16 HD1 HIS 16 6.497 -9.203 -9.203 123 HD2 HIS 16 HD2 HIS 16 6.474 -12.311 -12.311 124 HE1 HIS 16 HE1 HIS 16 7.789 -8.452 -8.452 125 HA PRO 17 HA PRO 17 6.746 -15.792 -15.792 126 1HB PRO 17 2HB PRO 17 9.365 -16.482 -16.482 127 2HB PRO 17 1HB PRO 17 8.825 -15.577 -15.577 128 1HG PRO 17 2HG PRO 17 9.985 -14.439 -14.439 129 2HG PRO 17 1HG PRO 17 10.569 -14.128 -14.128 130 1HD PRO 17 2HD PRO 17 8.883 -12.397 -12.397 131 2HD PRO 17 1HD PRO 17 8.607 -12.810 -12.810 132 H CYS 18 H CYS 18 5.493 -15.395 -15.395 133 HA CYS 18 HA CYS 18 7.000 -16.484 -16.484 134 1HB CYS 18 2HB CYS 18 5.701 -15.166 -15.166 135 2HB CYS 18 1HB CYS 18 5.632 -14.180 -14.180 136 H HIS 19 H HIS 19 4.221 -16.918 -16.918 137 HA HIS 19 HA HIS 19 3.516 -19.453 -19.453 138 1HB HIS 19 2HB HIS 19 3.532 -19.325 -19.325 139 2HB HIS 19 1HB HIS 19 3.660 -20.742 -20.742 140 HD1 HIS 19 HD1 HIS 19 5.976 -20.041 -20.041 141 HD2 HIS 19 HD2 HIS 19 6.024 -19.172 -19.172 142 HE1 HIS 19 HE1 HIS 19 8.364 -19.861 -19.861 143 H GLY 20 H GLY 20 1.518 -20.401 -20.401 144 1HA GLY 20 2HA GLY 20 -0.561 -18.275 -18.275 145 2HA GLY 20 1HA GLY 20 -0.840 -20.011 -20.011 146 H ASN 21 H ASN 21 0.862 -18.145 -18.145 147 HA ASN 21 HA ASN 21 -0.841 -19.355 -19.355 148 1HB ASN 21 2HB ASN 21 1.411 -20.319 -20.319 149 2HB ASN 21 1HB ASN 21 2.166 -18.733 -18.733 150 1HD2 ASN 21 2HD2 ASN 21 2.066 -18.542 -18.542 151 2HD2 ASN 21 1HD2 ASN 21 3.015 -18.348 -18.348 152 H LEU 22 H LEU 22 1.541 -16.966 -16.966 153 HA LEU 22 HA LEU 22 1.496 -14.859 -14.859 154 1HB LEU 22 2HB LEU 22 0.374 -14.799 -14.799 155 2HB LEU 22 1HB LEU 22 -1.036 -14.345 -14.345 156 HG LEU 22 HG LEU 22 0.317 -12.509 -12.509 157 1HD1 LEU 22 2HD1 LEU 22 2.628 -13.579 -13.579 158 2HD1 LEU 22 1HD1 LEU 22 2.356 -13.312 -13.312 159 3HD1 LEU 22 3HD1 LEU 22 2.507 -11.955 -11.955 160 1HD2 LEU 22 3HD2 LEU 22 0.147 -12.556 -12.556 161 2HD2 LEU 22 2HD2 LEU 22 -1.159 -12.097 -12.097 162 3HD2 LEU 22 1HD2 LEU 22 0.269 -11.104 -11.104 163 H MET 23 H MET 23 -1.374 -16.559 -16.559 164 HA MET 23 HA MET 23 -3.228 -15.337 -15.337 165 1HB MET 23 2HB MET 23 -1.595 -17.581 -17.581 166 2HB MET 23 1HB MET 23 -3.144 -17.057 -17.057 167 1HG MET 23 2HG MET 23 -4.110 -17.488 -17.488 168 2HG MET 23 1HG MET 23 -2.581 -18.195 -18.195 169 1HE MET 23 3HE MET 23 -1.521 -20.170 -20.170 170 2HE MET 23 2HE MET 23 -2.517 -21.603 -21.603 171 3HE MET 23 1HE MET 23 -2.115 -20.715 -20.715 172 H ASN 24 H ASN 24 -0.230 -15.810 -15.810 173 HA ASN 24 HA ASN 24 -1.138 -13.434 -13.434 174 1HB ASN 24 2HB ASN 24 0.674 -15.758 -15.758 175 2HB ASN 24 1HB ASN 24 0.413 -14.329 -14.329 176 1HD2 ASN 24 2HD2 ASN 24 -2.318 -17.209 -17.209 177 2HD2 ASN 24 1HD2 ASN 24 -0.825 -17.477 -17.477 178 H GLN 25 H GLN 25 0.825 -14.040 -14.040 179 HA GLN 25 HA GLN 25 3.302 -12.766 -12.766 180 1HB GLN 25 2HB GLN 25 2.673 -14.344 -14.344 181 2HB GLN 25 1HB GLN 25 2.179 -12.850 -12.850 182 1HG GLN 25 2HG GLN 25 4.982 -13.348 -13.348 183 2HG GLN 25 1HG GLN 25 4.494 -13.619 -13.619 184 1HE2 GLN 25 2HE2 GLN 25 5.941 -10.160 -10.160 185 2HE2 GLN 25 1HE2 GLN 25 6.451 -11.661 -11.661 186 H ILE 26 H ILE 26 0.594 -11.688 -11.688 187 HA ILE 26 HA ILE 26 1.409 -8.918 -8.918 188 HB ILE 26 HB ILE 26 -1.038 -8.514 -8.514 189 1HG1 ILE 26 2HG1 ILE 26 -1.176 -11.588 -11.588 190 2HG1 ILE 26 1HG1 ILE 26 -2.024 -10.553 -10.553 191 1HG2 ILE 26 2HG2 ILE 26 0.721 -10.491 -10.491 192 2HG2 ILE 26 1HG2 ILE 26 -0.560 -9.544 -9.544 193 3HG2 ILE 26 3HG2 ILE 26 0.833 -8.749 -8.749 194 1HD1 ILE 26 2HD1 ILE 26 -3.180 -9.444 -9.444 195 2HD1 ILE 26 1HD1 ILE 26 -2.316 -10.454 -10.454 196 3HD1 ILE 26 3HD1 ILE 26 -3.474 -11.174 -11.174 197 H LYS 27 H LYS 27 -0.554 -10.702 -10.702 198 HA LYS 27 HA LYS 27 -1.879 -8.535 -8.535 199 1HB LYS 27 2HB LYS 27 -2.298 -11.027 -11.027 200 2HB LYS 27 1HB LYS 27 -0.839 -11.037 -11.037 201 1HG LYS 27 2HG LYS 27 -1.816 -9.110 -9.110 202 2HG LYS 27 1HG LYS 27 -3.269 -9.266 -9.266 203 1HD LYS 27 2HD LYS 27 -3.909 -11.307 -11.307 204 2HD LYS 27 1HD LYS 27 -2.324 -11.754 -11.754 205 1HE LYS 27 2HE LYS 27 -4.077 -9.441 -9.441 206 2HE LYS 27 1HE LYS 27 -3.836 -10.973 -10.973 207 1HZ LYS 27 2HZ LYS 27 -1.290 -10.018 -10.018 208 2HZ LYS 27 1HZ LYS 27 -2.144 -8.672 -8.672 209 3HZ LYS 27 3HZ LYS 27 -2.017 -10.093 -10.093 210 H ASN 28 H ASN 28 1.087 -10.193 -10.193 211 HA ASN 28 HA ASN 28 1.823 -8.309 -8.309 212 1HB ASN 28 2HB ASN 28 3.468 -10.430 -10.430 213 2HB ASN 28 1HB ASN 28 4.012 -9.557 -9.557 214 1HD2 ASN 28 2HD2 ASN 28 2.228 -12.740 -12.740 215 2HD2 ASN 28 1HD2 ASN 28 3.503 -12.502 -12.502 216 H GLN 29 H GLN 29 2.767 -8.650 -8.650 217 HA GLN 29 HA GLN 29 4.781 -6.682 -6.682 218 1HB GLN 29 2HB GLN 29 2.639 -7.416 -7.416 219 2HB GLN 29 1HB GLN 29 3.874 -6.256 -6.256 220 1HG GLN 29 2HG GLN 29 4.763 -8.978 -8.978 221 2HG GLN 29 1HG GLN 29 4.117 -8.831 -8.831 222 1HE2 GLN 29 2HE2 GLN 29 7.211 -6.290 -6.290 223 2HE2 GLN 29 1HE2 GLN 29 5.798 -5.951 -5.951 224 H LEU 30 H LEU 30 1.330 -6.331 -6.331 225 HA LEU 30 HA LEU 30 1.365 -3.457 -3.457 226 1HB LEU 30 2HB LEU 30 -0.296 -5.438 -5.438 227 2HB LEU 30 1HB LEU 30 -1.163 -4.953 -4.953 228 HG LEU 30 HG LEU 30 -0.344 -3.153 -3.153 229 1HD1 LEU 30 2HD1 LEU 30 -3.024 -4.282 -4.282 230 2HD1 LEU 30 1HD1 LEU 30 -2.822 -3.094 -3.094 231 3HD1 LEU 30 3HD1 LEU 30 -2.169 -4.715 -4.715 232 1HD2 LEU 30 3HD2 LEU 30 -1.970 -2.528 -2.528 233 2HD2 LEU 30 2HD2 LEU 30 -0.366 -1.935 -1.935 234 3HD2 LEU 30 1HD2 LEU 30 -1.693 -1.440 -1.440 235 H ALA 31 H ALA 31 0.335 -5.625 -5.625 236 HA ALA 31 HA ALA 31 -0.787 -3.894 -3.894 237 1HB ALA 31 3HB ALA 31 1.440 -5.834 -5.834 238 2HB ALA 31 2HB ALA 31 0.300 -5.158 -5.158 239 3HB ALA 31 1HB ALA 31 -0.281 -6.216 -6.216 240 H GLN 32 H GLN 32 2.651 -4.203 -4.203 241 HA GLN 32 HA GLN 32 3.593 -2.260 -2.260 242 1HB GLN 32 2HB GLN 32 4.729 -2.738 -2.738 243 2HB GLN 32 1HB GLN 32 5.576 -1.936 -1.936 244 1HG GLN 32 2HG GLN 32 5.280 -4.171 -4.171 245 2HG GLN 32 1HG GLN 32 4.895 -4.885 -4.885 246 1HE2 GLN 32 2HE2 GLN 32 8.336 -5.109 -5.109 247 2HE2 GLN 32 1HE2 GLN 32 6.780 -5.762 -5.762 248 H LEU 33 H LEU 33 2.380 -1.916 -1.916 249 HA LEU 33 HA LEU 33 2.731 0.995 0.995 250 1HB LEU 33 2HB LEU 33 0.784 -0.398 -0.398 251 2HB LEU 33 1HB LEU 33 1.747 1.016 1.016 252 HG LEU 33 HG LEU 33 2.771 -1.847 -1.847 253 1HD1 LEU 33 3HD1 LEU 33 1.660 -1.141 -1.141 254 2HD1 LEU 33 2HD1 LEU 33 2.703 0.263 0.263 255 3HD1 LEU 33 1HD1 LEU 33 3.365 -1.353 -1.353 256 1HD2 LEU 33 1HD2 LEU 33 4.403 -0.304 -0.304 257 2HD2 LEU 33 3HD2 LEU 33 4.987 -0.946 -0.946 258 3HD2 LEU 33 2HD2 LEU 33 4.393 0.706 0.706 259 H ASN 34 H ASN 34 -0.049 -1.256 -1.256 260 HA ASN 34 HA ASN 34 -2.167 0.627 0.627 261 1HB ASN 34 2HB ASN 34 -2.287 -1.930 -1.930 262 2HB ASN 34 1HB ASN 34 -1.703 -1.628 -1.628 263 1HD2 ASN 34 2HD2 ASN 34 -4.979 -1.055 -1.055 264 2HD2 ASN 34 1HD2 ASN 34 -3.523 -1.888 -1.888 265 H GLY 35 H GLY 35 -0.016 -0.485 -0.485 266 1HA GLY 35 2HA GLY 35 -0.644 1.263 1.263 267 2HA GLY 35 1HA GLY 35 1.003 0.646 0.646 268 H SER 36 H SER 36 1.538 1.718 1.718 269 HA SER 36 HA SER 36 2.075 4.463 4.463 270 1HB SER 36 2HB SER 36 3.144 2.556 2.556 271 2HB SER 36 1HB SER 36 2.761 4.075 4.075 272 HG SER 36 HG SER 36 4.780 3.645 3.645 273 H ALA 37 H ALA 37 -0.387 3.026 3.026 274 HA ALA 37 HA ALA 37 -1.129 5.137 5.137 275 1HB ALA 37 3HB ALA 37 -2.318 2.819 2.819 276 2HB ALA 37 2HB ALA 37 -3.035 3.414 3.414 277 3HB ALA 37 1HB ALA 37 -3.398 4.200 4.200 278 H ASN 38 H ASN 38 -1.289 4.473 4.473 279 HA ASN 38 HA ASN 38 -2.619 7.057 7.057 280 1HB ASN 38 2HB ASN 38 -3.265 5.087 5.087 281 2HB ASN 38 1HB ASN 38 -1.606 4.757 4.757 282 1HD2 ASN 38 2HD2 ASN 38 -2.258 8.174 8.174 283 2HD2 ASN 38 1HD2 ASN 38 -1.754 8.154 8.154 284 H ALA 39 H ALA 39 0.434 5.344 5.344 285 HA ALA 39 HA ALA 39 1.730 7.682 7.682 286 1HB ALA 39 3HB ALA 39 2.455 5.293 5.293 287 2HB ALA 39 2HB ALA 39 3.198 5.208 5.208 288 3HB ALA 39 1HB ALA 39 3.761 6.376 6.376 289 H LEU 40 H LEU 40 2.901 6.035 6.035 290 HA LEU 40 HA LEU 40 4.343 8.095 8.095 291 1HB LEU 40 2HB LEU 40 4.060 6.016 6.016 292 2HB LEU 40 1HB LEU 40 2.347 6.222 6.222 293 HG LEU 40 HG LEU 40 4.047 6.747 6.747 294 1HD1 LEU 40 2HD1 LEU 40 1.459 8.299 8.299 295 2HD1 LEU 40 1HD1 LEU 40 2.239 8.142 8.142 296 3HD1 LEU 40 3HD1 LEU 40 1.576 6.726 6.726 297 1HD2 LEU 40 2HD2 LEU 40 5.083 8.788 8.788 298 2HD2 LEU 40 1HD2 LEU 40 4.170 9.150 9.150 299 3HD2 LEU 40 3HD2 LEU 40 3.460 9.461 9.461 300 H PHE 41 H PHE 41 0.878 7.745 7.745 301 HA PHE 41 HA PHE 41 0.340 10.175 10.175 302 1HB PHE 41 2HB PHE 41 -1.556 8.706 8.706 303 2HB PHE 41 1HB PHE 41 -1.247 8.803 8.803 304 HD1 PHE 41 HD1 PHE 41 -1.178 12.015 12.015 305 HD2 PHE 41 HD2 PHE 41 -3.626 9.279 9.279 306 HE1 PHE 41 HE1 PHE 41 -2.881 13.724 13.724 307 HE2 PHE 41 HE2 PHE 41 -5.362 11.063 11.063 308 HZ PHE 41 HZ PHE 41 -4.898 13.290 13.290 309 H ILE 42 H ILE 42 0.229 9.851 9.851 310 HA ILE 42 HA ILE 42 -0.005 12.625 12.625 311 HB ILE 42 HB ILE 42 0.975 10.387 10.387 312 1HG1 ILE 42 2HG1 ILE 42 -1.180 10.323 10.323 313 2HG1 ILE 42 1HG1 ILE 42 -1.350 12.059 12.059 314 1HG2 ILE 42 2HG2 ILE 42 0.696 13.324 13.324 315 2HG2 ILE 42 1HG2 ILE 42 0.974 11.976 11.976 316 3HG2 ILE 42 3HG2 ILE 42 2.195 12.416 12.416 317 1HD1 ILE 42 1HD1 ILE 42 -1.662 10.573 10.573 318 2HD1 ILE 42 3HD1 ILE 42 -2.994 10.751 10.751 319 3HD1 ILE 42 2HD1 ILE 42 -2.289 12.071 12.071 320 H SER 43 H SER 43 2.891 10.691 10.691 321 HA SER 43 HA SER 43 4.579 13.005 13.005 322 1HB SER 43 2HB SER 43 5.389 10.316 10.316 323 2HB SER 43 1HB SER 43 6.438 11.430 11.430 324 HG SER 43 HG SER 43 5.481 10.881 10.881 325 H TYR 44 H TYR 44 2.975 11.887 11.887 326 HA TYR 44 HA TYR 44 4.779 13.037 13.037 327 1HB TYR 44 2HB TYR 44 3.757 11.217 11.217 328 2HB TYR 44 1HB TYR 44 2.372 11.209 11.209 329 HD1 TYR 44 HD1 TYR 44 3.774 12.942 12.942 330 HD2 TYR 44 HD2 TYR 44 0.292 12.139 12.139 331 HE1 TYR 44 HE1 TYR 44 2.562 14.009 14.009 332 HE2 TYR 44 HE2 TYR 44 -0.958 13.166 13.166 333 HH TYR 44 HH TYR 44 0.166 15.384 15.384 334 H TYR 45 H TYR 45 1.445 13.407 13.407 335 HA TYR 45 HA TYR 45 1.022 15.897 15.897 336 1HB TYR 45 2HB TYR 45 -1.135 15.766 15.766 337 2HB TYR 45 1HB TYR 45 -0.679 14.127 14.127 338 HD1 TYR 45 HD1 TYR 45 -0.603 17.380 17.380 339 HD2 TYR 45 HD2 TYR 45 -1.142 13.203 13.203 340 HE1 TYR 45 HE1 TYR 45 -1.130 17.685 17.685 341 HE2 TYR 45 HE2 TYR 45 -1.650 13.596 13.596 342 HH TYR 45 HH TYR 45 -1.280 16.472 16.472 343 H THR 46 H THR 46 2.125 15.287 15.287 344 HA THR 46 HA THR 46 2.038 17.967 17.967 345 HB THR 46 HB THR 46 4.205 17.241 17.241 346 HG1 THR 46 HG1 THR 46 5.021 15.494 15.494 347 1HG2 THR 46 2HG2 THR 46 1.624 15.591 15.591 348 2HG2 THR 46 1HG2 THR 46 2.853 15.646 15.646 349 3HG2 THR 46 3HG2 THR 46 1.930 17.083 17.083 350 H ALA 47 H ALA 47 4.381 16.504 16.504 351 HA ALA 47 HA ALA 47 6.060 18.925 18.925 352 1HB ALA 47 1HB ALA 47 6.333 16.330 16.330 353 2HB ALA 47 3HB ALA 47 7.534 17.615 17.615 354 3HB ALA 47 2HB ALA 47 7.149 16.709 16.709 355 H GLN 48 H GLN 48 3.243 18.042 18.042 356 HA GLN 48 HA GLN 48 4.063 19.291 19.291 357 1HB GLN 48 2HB GLN 48 1.258 18.677 18.677 358 2HB GLN 48 1HB GLN 48 1.758 18.882 18.882 359 1HG GLN 48 2HG GLN 48 2.659 16.610 16.610 360 2HG GLN 48 1HG GLN 48 1.521 16.475 16.475 361 1HE2 GLN 48 2HE2 GLN 48 5.463 16.916 16.916 362 2HE2 GLN 48 1HE2 GLN 48 4.929 17.565 17.565 363 H GLY 49 H GLY 49 2.574 20.165 20.165 364 1HA GLY 49 2HA GLY 49 2.718 22.412 22.412 365 2HA GLY 49 1HA GLY 49 2.830 23.040 23.040 366 H GLU 50 H GLU 50 1.094 23.462 23.462 367 HA GLU 50 HA GLU 50 -1.527 22.787 22.787 368 1HB GLU 50 2HB GLU 50 -1.875 24.744 24.744 369 2HB GLU 50 1HB GLU 50 -0.302 24.107 24.107 370 1HG GLU 50 2HG GLU 50 0.009 26.481 26.481 371 2HG GLU 50 1HG GLU 50 0.610 25.864 25.864 372 HA PRO 51 HA PRO 51 -3.670 24.469 24.469 373 1HB PRO 51 2HB PRO 51 -6.085 24.017 24.017 374 2HB PRO 51 1HB PRO 51 -5.408 25.642 25.642 375 1HG PRO 51 2HG PRO 51 -5.144 23.806 23.806 376 2HG PRO 51 1HG PRO 51 -5.739 25.474 25.474 377 1HD PRO 51 2HD PRO 51 -3.135 25.087 25.087 378 2HD PRO 51 1HD PRO 51 -3.531 26.361 26.361 379 H PHE 52 H PHE 52 -3.121 22.512 22.512 380 HA PHE 52 HA PHE 52 -4.100 20.060 20.060 381 1HB PHE 52 2HB PHE 52 -1.321 20.845 20.845 382 2HB PHE 52 1HB PHE 52 -1.414 19.483 19.483 383 HD1 PHE 52 HD1 PHE 52 -3.348 17.760 17.760 384 HD2 PHE 52 HD2 PHE 52 -0.807 20.123 20.123 385 HE1 PHE 52 HE1 PHE 52 -3.624 16.147 16.147 386 HE2 PHE 52 HE2 PHE 52 -1.094 18.476 18.476 387 HZ PHE 52 HZ PHE 52 -2.495 16.533 16.533 388 HA PRO 53 HA PRO 53 -2.895 18.133 18.133 389 1HB PRO 53 2HB PRO 53 -1.805 19.571 19.571 390 2HB PRO 53 1HB PRO 53 -0.785 18.898 18.898 391 1HG PRO 53 2HG PRO 53 -2.008 21.713 21.713 392 2HG PRO 53 1HG PRO 53 -0.305 21.296 21.296 393 1HD PRO 53 2HD PRO 53 -1.742 21.795 21.795 394 2HD PRO 53 1HD PRO 53 -0.703 20.349 20.349 395 H ASN 54 H ASN 54 -4.419 20.860 20.860 396 HA ASN 54 HA ASN 54 -6.291 20.622 20.622 397 1HB ASN 54 2HB ASN 54 -6.926 22.995 22.995 398 2HB ASN 54 1HB ASN 54 -5.242 22.841 22.841 399 1HD2 ASN 54 2HD2 ASN 54 -5.354 24.806 24.806 400 2HD2 ASN 54 1HD2 ASN 54 -6.021 25.042 25.042 401 H ASN 55 H ASN 55 -6.120 20.863 20.863 402 HA ASN 55 HA ASN 55 -9.012 20.102 20.102 403 1HB ASN 55 2HB ASN 55 -7.312 21.610 21.610 404 2HB ASN 55 1HB ASN 55 -9.022 21.227 21.227 405 1HD2 ASN 55 2HD2 ASN 55 -8.969 24.662 24.662 406 2HD2 ASN 55 1HD2 ASN 55 -8.585 23.898 23.898 407 H LEU 56 H LEU 56 -6.418 18.541 18.541 408 HA LEU 56 HA LEU 56 -6.220 17.223 17.223 409 1HB LEU 56 2HB LEU 56 -4.819 15.605 15.605 410 2HB LEU 56 1HB LEU 56 -4.554 17.062 17.062 411 HG LEU 56 HG LEU 56 -6.315 16.177 16.177 412 1HD1 LEU 56 3HD1 LEU 56 -7.215 14.213 14.213 413 2HD1 LEU 56 2HD1 LEU 56 -5.646 13.505 13.505 414 3HD1 LEU 56 1HD1 LEU 56 -6.662 13.798 13.798 415 1HD2 LEU 56 1HD2 LEU 56 -3.844 16.115 16.115 416 2HD2 LEU 56 3HD2 LEU 56 -4.592 14.697 14.697 417 3HD2 LEU 56 2HD2 LEU 56 -3.821 14.576 14.576 418 H ASP 57 H ASP 57 -8.046 16.772 16.772 419 HA ASP 57 HA ASP 57 -9.347 14.425 14.425 420 1HB ASP 57 2HB ASP 57 -9.999 16.524 16.524 421 2HB ASP 57 1HB ASP 57 -11.177 15.269 15.269 422 H LYS 58 H LYS 58 -9.768 17.492 17.492 423 HA LYS 58 HA LYS 58 -12.486 16.690 16.690 424 1HB LYS 58 2HB LYS 58 -12.255 18.773 18.773 425 2HB LYS 58 1HB LYS 58 -11.316 19.510 19.510 426 1HG LYS 58 2HG LYS 58 -13.267 19.055 19.055 427 2HG LYS 58 1HG LYS 58 -14.192 18.487 18.487 428 1HD LYS 58 2HD LYS 58 -13.452 20.911 20.911 429 2HD LYS 58 1HD LYS 58 -13.191 21.264 21.264 430 1HE LYS 58 2HE LYS 58 -15.458 21.956 21.956 431 2HE LYS 58 1HE LYS 58 -15.526 20.599 20.599 432 1HZ LYS 58 1HZ LYS 58 -15.359 19.553 19.553 433 2HZ LYS 58 3HZ LYS 58 -16.556 20.757 20.757 434 3HZ LYS 58 2HZ LYS 58 -16.678 19.468 19.468 435 H LEU 59 H LEU 59 -9.287 17.571 17.571 436 HA LEU 59 HA LEU 59 -10.061 17.442 17.442 437 1HB LEU 59 2HB LEU 59 -7.666 18.550 18.550 438 2HB LEU 59 1HB LEU 59 -7.938 18.564 18.564 439 HG LEU 59 HG LEU 59 -9.057 20.553 20.553 440 1HD1 LEU 59 1HD1 LEU 59 -11.081 19.551 19.551 441 2HD1 LEU 59 3HD1 LEU 59 -10.305 19.810 19.810 442 3HD1 LEU 59 2HD1 LEU 59 -10.748 21.176 21.176 443 1HD2 LEU 59 3HD2 LEU 59 -8.057 20.471 20.471 444 2HD2 LEU 59 2HD2 LEU 59 -7.085 20.989 20.989 445 3HD2 LEU 59 1HD2 LEU 59 -8.456 21.949 21.949 446 H CYS 60 H CYS 60 -8.456 15.837 15.837 447 HA CYS 60 HA CYS 60 -7.116 13.883 13.883 448 1HB CYS 60 2HB CYS 60 -5.547 15.601 15.601 449 2HB CYS 60 1HB CYS 60 -5.868 14.926 14.926 450 H GLY 61 H GLY 61 -9.574 13.298 13.298 451 1HA GLY 61 2HA GLY 61 -9.011 11.079 11.079 452 2HA GLY 61 1HA GLY 61 -10.177 12.262 12.262 453 HA PRO 62 HA PRO 62 -13.078 10.245 10.245 454 1HB PRO 62 2HB PRO 62 -15.127 11.981 11.981 455 2HB PRO 62 1HB PRO 62 -14.436 11.414 11.414 456 1HG PRO 62 2HG PRO 62 -13.888 14.054 14.054 457 2HG PRO 62 1HG PRO 62 -14.139 13.806 13.806 458 1HD PRO 62 2HD PRO 62 -11.593 13.932 13.932 459 2HD PRO 62 1HD PRO 62 -11.856 13.328 13.328 460 H ASN 63 H ASN 63 -11.178 10.872 10.872 461 HA ASN 63 HA ASN 63 -12.263 12.584 12.584 462 1HB ASN 63 2HB ASN 63 -9.423 11.907 11.907 463 2HB ASN 63 1HB ASN 63 -10.216 13.483 13.483 464 1HD2 ASN 63 2HD2 ASN 63 -8.509 11.941 11.941 465 2HD2 ASN 63 1HD2 ASN 63 -8.681 11.087 11.087 466 H VAL 64 H VAL 64 -13.455 10.992 10.992 467 HA VAL 64 HA VAL 64 -12.076 8.465 8.465 468 HB VAL 64 HB VAL 64 -14.306 8.442 8.442 469 1HG1 VAL 64 3HG1 VAL 64 -15.379 10.401 10.401 470 2HG1 VAL 64 2HG1 VAL 64 -15.428 9.565 9.565 471 3HG1 VAL 64 1HG1 VAL 64 -16.369 8.969 8.969 472 1HG2 VAL 64 2HG2 VAL 64 -13.634 6.457 6.457 473 2HG2 VAL 64 1HG2 VAL 64 -15.368 6.695 6.695 474 3HG2 VAL 64 3HG2 VAL 64 -14.364 7.130 7.130 475 H THR 65 H THR 65 -12.096 11.317 11.317 476 HA THR 65 HA THR 65 -12.841 12.255 12.255 477 HB THR 65 HB THR 65 -10.593 12.685 12.685 478 HG1 THR 65 HG1 THR 65 -10.077 12.711 12.711 479 1HG2 THR 65 2HG2 THR 65 -9.578 10.362 10.362 480 2HG2 THR 65 1HG2 THR 65 -9.413 10.722 10.722 481 3HG2 THR 65 3HG2 THR 65 -8.554 11.671 11.671 482 H ASP 66 H ASP 66 -10.646 9.514 9.514 483 HA ASP 66 HA ASP 66 -12.327 8.345 8.345 484 1HB ASP 66 2HB ASP 66 -10.406 9.892 9.892 485 2HB ASP 66 1HB ASP 66 -9.309 8.643 8.643 486 H PHE 67 H PHE 67 -11.656 7.677 7.677 487 HA PHE 67 HA PHE 67 -9.826 5.439 5.439 488 1HB PHE 67 2HB PHE 67 -11.076 6.996 6.996 489 2HB PHE 67 1HB PHE 67 -11.509 5.330 5.330 490 HD1 PHE 67 HD1 PHE 67 -9.425 3.645 3.645 491 HD2 PHE 67 HD2 PHE 67 -9.083 7.738 7.738 492 HE1 PHE 67 HE1 PHE 67 -7.177 3.256 3.256 493 HE2 PHE 67 HE2 PHE 67 -6.854 7.312 7.312 494 HZ PHE 67 HZ PHE 67 -5.924 5.018 5.018 495 HA PRO 68 HA PRO 68 -13.212 2.728 2.728 496 1HB PRO 68 2HB PRO 68 -11.632 0.423 0.423 497 2HB PRO 68 1HB PRO 68 -11.716 1.694 1.694 498 1HG PRO 68 2HG PRO 68 -9.740 1.480 1.480 499 2HG PRO 68 1HG PRO 68 -9.350 1.615 1.615 500 1HD PRO 68 2HD PRO 68 -9.363 3.854 3.854 501 2HD PRO 68 1HD PRO 68 -10.242 3.937 3.937 502 HA PRO 69 HA PRO 69 -14.404 2.028 2.028 503 1HB PRO 69 2HB PRO 69 -16.898 1.138 1.138 504 2HB PRO 69 1HB PRO 69 -16.341 2.550 2.550 505 1HG PRO 69 2HG PRO 69 -16.548 -0.352 -0.352 506 2HG PRO 69 1HG PRO 69 -17.012 1.111 1.111 507 1HD PRO 69 2HD PRO 69 -14.492 -0.204 -0.204 508 2HD PRO 69 1HD PRO 69 -14.843 1.467 1.467 509 H PHE 70 H PHE 70 -12.692 -0.131 -0.131 510 HA PHE 70 HA PHE 70 -12.973 -2.674 -2.674 511 1HB PHE 70 2HB PHE 70 -11.084 -1.088 -1.088 512 2HB PHE 70 1HB PHE 70 -11.783 -1.411 -1.411 513 HD1 PHE 70 HD1 PHE 70 -10.303 -2.880 -2.880 514 HD2 PHE 70 HD2 PHE 70 -11.735 -3.712 -3.712 515 HE1 PHE 70 HE1 PHE 70 -9.326 -5.111 -5.111 516 HE2 PHE 70 HE2 PHE 70 -10.732 -5.973 -5.973 517 HZ PHE 70 HZ PHE 70 -9.510 -6.644 -6.644 518 H HIS 71 H HIS 71 -14.948 -3.486 -3.486 519 HA HIS 71 HA HIS 71 -15.867 -3.551 -3.551 520 1HB HIS 71 2HB HIS 71 -17.440 -3.060 -3.060 521 2HB HIS 71 1HB HIS 71 -18.201 -4.117 -4.117 522 HD1 HIS 71 HD1 HIS 71 -16.347 -0.846 -0.846 523 HD2 HIS 71 HD2 HIS 71 -19.727 -2.621 -2.621 524 HE1 HIS 71 HE1 HIS 71 -17.421 0.810 0.810 525 H ALA 72 H ALA 72 -14.523 -5.203 -5.203 526 HA ALA 72 HA ALA 72 -13.897 -7.514 -7.514 527 1HB ALA 72 3HB ALA 72 -13.349 -7.002 -7.002 528 2HB ALA 72 2HB ALA 72 -15.025 -7.356 -7.356 529 3HB ALA 72 1HB ALA 72 -14.009 -8.650 -8.650 530 H ASN 73 H ASN 73 -15.573 -7.948 -7.948 531 HA ASN 73 HA ASN 73 -17.965 -9.304 -9.304 532 1HB ASN 73 2HB ASN 73 -17.201 -8.015 -8.015 533 2HB ASN 73 1HB ASN 73 -18.373 -9.333 -9.333 534 1HD2 ASN 73 2HD2 ASN 73 -19.669 -5.797 -5.797 535 2HD2 ASN 73 1HD2 ASN 73 -18.057 -5.927 -5.927 536 H GLY 74 H GLY 74 -15.981 -10.433 -10.433 537 1HA GLY 74 2HA GLY 74 -14.452 -12.235 -12.235 538 2HA GLY 74 1HA GLY 74 -15.996 -13.048 -13.048 539 H THR 75 H THR 75 -13.909 -11.408 -11.408 540 HA THR 75 HA THR 75 -13.928 -13.848 -13.848 541 HB THR 75 HB THR 75 -13.635 -11.730 -11.730 542 HG1 THR 75 HG1 THR 75 -15.693 -11.168 -11.168 543 1HG2 THR 75 2HG2 THR 75 -16.161 -13.103 -13.103 544 2HG2 THR 75 1HG2 THR 75 -15.830 -12.278 -12.278 545 3HG2 THR 75 3HG2 THR 75 -14.948 -13.749 -13.749 546 H GLU 76 H GLU 76 -12.051 -14.362 -14.362 547 HA GLU 76 HA GLU 76 -9.645 -13.270 -13.270 548 1HB GLU 76 2HB GLU 76 -10.165 -15.635 -15.635 549 2HB GLU 76 1HB GLU 76 -9.314 -14.672 -14.672 550 1HG GLU 76 2HG GLU 76 -7.329 -14.499 -14.499 551 2HG GLU 76 1HG GLU 76 -8.132 -15.438 -15.438 552 H LYS 77 H LYS 77 -10.861 -13.333 -13.333 553 HA LYS 77 HA LYS 77 -9.231 -11.378 -11.378 554 1HB LYS 77 2HB LYS 77 -10.995 -11.087 -11.087 555 2HB LYS 77 1HB LYS 77 -10.774 -12.784 -12.784 556 1HG LYS 77 2HG LYS 77 -12.799 -12.671 -12.671 557 2HG LYS 77 1HG LYS 77 -13.051 -11.006 -11.006 558 1HD LYS 77 2HD LYS 77 -12.770 -12.211 -12.211 559 2HD LYS 77 1HD LYS 77 -13.301 -13.596 -13.596 560 1HE LYS 77 2HE LYS 77 -15.272 -12.551 -12.551 561 2HE LYS 77 1HE LYS 77 -15.320 -12.337 -12.337 562 1HZ LYS 77 2HZ LYS 77 -13.886 -10.182 -10.182 563 2HZ LYS 77 1HZ LYS 77 -15.328 -10.346 -10.346 564 3HZ LYS 77 3HZ LYS 77 -15.387 -10.130 -10.130 565 H ALA 78 H ALA 78 -12.376 -10.661 -10.661 566 HA ALA 78 HA ALA 78 -12.018 -7.838 -7.838 567 1HB ALA 78 1HB ALA 78 -14.266 -8.774 -8.774 568 2HB ALA 78 3HB ALA 78 -13.660 -9.060 -9.060 569 3HB ALA 78 2HB ALA 78 -13.793 -7.426 -7.426 570 H LYS 79 H LYS 79 -11.258 -9.813 -9.813 571 HA LYS 79 HA LYS 79 -10.471 -7.695 -7.695 572 1HB LYS 79 2HB LYS 79 -9.755 -10.653 -10.653 573 2HB LYS 79 1HB LYS 79 -9.030 -9.616 -9.616 574 1HG LYS 79 2HG LYS 79 -11.240 -8.941 -8.941 575 2HG LYS 79 1HG LYS 79 -12.051 -9.712 -9.712 576 1HD LYS 79 2HD LYS 79 -11.882 -11.815 -11.815 577 2HD LYS 79 1HD LYS 79 -10.303 -11.560 -11.560 578 1HE LYS 79 2HE LYS 79 -11.409 -10.259 -10.259 579 2HE LYS 79 1HE LYS 79 -12.976 -10.625 -10.625 580 1HZ LYS 79 2HZ LYS 79 -11.512 -13.022 -13.022 581 2HZ LYS 79 1HZ LYS 79 -11.372 -12.184 -12.184 582 3HZ LYS 79 3HZ LYS 79 -12.918 -12.586 -12.586 583 H LEU 80 H LEU 80 -8.640 -9.727 -9.727 584 HA LEU 80 HA LEU 80 -6.111 -8.324 -8.324 585 1HB LEU 80 2HB LEU 80 -7.123 -10.579 -10.579 586 2HB LEU 80 1HB LEU 80 -5.600 -9.873 -9.873 587 HG LEU 80 HG LEU 80 -4.899 -10.275 -10.275 588 1HD1 LEU 80 2HD1 LEU 80 -7.348 -12.072 -12.072 589 2HD1 LEU 80 1HD1 LEU 80 -6.145 -12.024 -12.024 590 3HD1 LEU 80 3HD1 LEU 80 -7.167 -10.630 -10.630 591 1HD2 LEU 80 3HD2 LEU 80 -4.127 -11.680 -11.680 592 2HD2 LEU 80 2HD2 LEU 80 -4.356 -12.612 -12.612 593 3HD2 LEU 80 1HD2 LEU 80 -5.546 -12.711 -12.711 594 H VAL 81 H VAL 81 -8.227 -8.613 -8.613 595 HA VAL 81 HA VAL 81 -6.818 -6.763 -6.763 596 HB VAL 81 HB VAL 81 -9.823 -7.405 -7.405 597 1HG1 VAL 81 2HG1 VAL 81 -8.208 -6.096 -6.096 598 2HG1 VAL 81 1HG1 VAL 81 -9.868 -6.643 -6.643 599 3HG1 VAL 81 3HG1 VAL 81 -9.465 -5.350 -5.350 600 1HG2 VAL 81 1HG2 VAL 81 -8.342 -9.432 -9.432 601 2HG2 VAL 81 3HG2 VAL 81 -9.290 -8.969 -8.969 602 3HG2 VAL 81 2HG2 VAL 81 -7.600 -8.523 -8.523 603 H GLU 82 H GLU 82 -9.533 -6.138 -6.138 604 HA GLU 82 HA GLU 82 -9.708 -3.401 -3.401 605 1HB GLU 82 2HB GLU 82 -11.519 -4.870 -4.870 606 2HB GLU 82 1HB GLU 82 -10.683 -4.655 -4.655 607 1HG GLU 82 2HG GLU 82 -12.400 -3.031 -3.031 608 2HG GLU 82 1HG GLU 82 -10.994 -2.100 -2.100 609 H LEU 83 H LEU 83 -8.100 -5.149 -5.149 610 HA LEU 83 HA LEU 83 -7.069 -2.838 -2.838 611 1HB LEU 83 2HB LEU 83 -7.128 -5.029 -5.029 612 2HB LEU 83 1HB LEU 83 -6.225 -5.741 -5.741 613 HG LEU 83 HG LEU 83 -5.215 -5.075 -5.075 614 1HD1 LEU 83 1HD1 LEU 83 -4.169 -6.546 -6.546 615 2HD1 LEU 83 3HD1 LEU 83 -3.646 -5.126 -5.126 616 3HD1 LEU 83 2HD1 LEU 83 -2.980 -5.476 -5.476 617 1HD2 LEU 83 3HD2 LEU 83 -5.364 -2.673 -2.673 618 2HD2 LEU 83 2HD2 LEU 83 -3.709 -3.244 -3.244 619 3HD2 LEU 83 1HD2 LEU 83 -4.320 -2.887 -2.887 620 H TYR 84 H TYR 84 -5.516 -5.027 -5.027 621 HA TYR 84 HA TYR 84 -3.193 -3.792 -3.792 622 1HB TYR 84 2HB TYR 84 -3.982 -5.944 -5.944 623 2HB TYR 84 1HB TYR 84 -5.165 -5.204 -5.204 624 HD1 TYR 84 HD1 TYR 84 -4.135 -3.361 -3.361 625 HD2 TYR 84 HD2 TYR 84 -1.927 -6.452 -6.452 626 HE1 TYR 84 HE1 TYR 84 -2.511 -3.051 -3.051 627 HE2 TYR 84 HE2 TYR 84 -0.247 -6.206 -6.206 628 HH TYR 84 HH TYR 84 0.566 -3.989 -3.989 629 H ARG 85 H ARG 85 -5.920 -3.417 -3.417 630 HA ARG 85 HA ARG 85 -5.221 -1.206 -1.206 631 1HB ARG 85 2HB ARG 85 -7.368 -2.472 -2.472 632 2HB ARG 85 1HB ARG 85 -7.985 -1.882 -1.882 633 1HG ARG 85 2HG ARG 85 -9.052 -0.592 -0.592 634 2HG ARG 85 1HG ARG 85 -7.907 0.473 0.473 635 1HD ARG 85 2HD ARG 85 -7.619 0.905 0.905 636 2HD ARG 85 1HD ARG 85 -6.286 -0.140 -0.140 637 HE ARG 85 HE ARG 85 -7.280 -1.932 -1.932 638 1HH1 ARG 85 2HH1 ARG 85 -9.485 0.751 0.751 639 2HH1 ARG 85 1HH1 ARG 85 -10.513 0.174 0.174 640 1HH2 ARG 85 1HH2 ARG 85 -8.663 -2.715 -2.715 641 2HH2 ARG 85 2HH2 ARG 85 -10.055 -1.935 -1.935 642 H MET 86 H MET 86 -7.042 -0.993 -0.993 643 HA MET 86 HA MET 86 -7.150 1.717 1.717 644 1HB MET 86 2HB MET 86 -8.178 -0.022 -0.022 645 2HB MET 86 1HB MET 86 -6.640 -0.499 -0.499 646 1HG MET 86 2HG MET 86 -6.565 2.113 2.113 647 2HG MET 86 1HG MET 86 -8.288 1.864 1.864 648 1HE MET 86 3HE MET 86 -9.552 0.150 0.150 649 2HE MET 86 2HE MET 86 -8.488 -1.269 -1.269 650 3HE MET 86 1HE MET 86 -9.041 -0.708 -0.708 651 H VAL 87 H VAL 87 -4.588 -0.409 -0.409 652 HA VAL 87 HA VAL 87 -2.798 1.469 1.469 653 HB VAL 87 HB VAL 87 -2.730 -1.316 -1.316 654 1HG1 VAL 87 3HG1 VAL 87 -0.559 0.238 0.238 655 2HG1 VAL 87 2HG1 VAL 87 -0.484 -1.507 -1.507 656 3HG1 VAL 87 1HG1 VAL 87 -0.389 -0.385 -0.385 657 1HG2 VAL 87 3HG2 VAL 87 -3.990 -0.963 -0.963 658 2HG2 VAL 87 2HG2 VAL 87 -2.529 -1.899 -1.899 659 3HG2 VAL 87 1HG2 VAL 87 -2.630 -0.212 -0.212 660 H ALA 88 H ALA 88 -3.342 0.200 0.200 661 HA ALA 88 HA ALA 88 -0.713 0.982 0.982 662 1HB ALA 88 1HB ALA 88 -3.316 0.295 0.295 663 2HB ALA 88 3HB ALA 88 -1.712 0.384 0.384 664 3HB ALA 88 2HB ALA 88 -2.054 -0.808 -0.808 665 H TYR 89 H TYR 89 -3.976 2.495 2.495 666 HA TYR 89 HA TYR 89 -2.843 4.851 4.851 667 1HB TYR 89 2HB TYR 89 -5.044 5.686 5.686 668 2HB TYR 89 1HB TYR 89 -5.404 3.983 3.983 669 HD1 TYR 89 HD1 TYR 89 -5.243 7.161 7.161 670 HD2 TYR 89 HD2 TYR 89 -6.241 3.075 3.075 671 HE1 TYR 89 HE1 TYR 89 -6.378 7.641 7.641 672 HE2 TYR 89 HE2 TYR 89 -7.372 3.569 3.569 673 HH TYR 89 HH TYR 89 -7.023 5.760 5.760 674 H LEU 90 H LEU 90 -3.791 4.012 4.012 675 HA LEU 90 HA LEU 90 -3.092 6.366 6.366 676 1HB LEU 90 2HB LEU 90 -4.370 4.535 4.535 677 2HB LEU 90 1HB LEU 90 -3.024 3.441 3.441 678 HG LEU 90 HG LEU 90 -3.587 4.235 4.235 679 1HD1 LEU 90 3HD1 LEU 90 -0.661 4.610 4.610 680 2HD1 LEU 90 2HD1 LEU 90 -1.172 4.440 4.440 681 3HD1 LEU 90 1HD1 LEU 90 -1.426 3.118 3.118 682 1HD2 LEU 90 1HD2 LEU 90 -2.339 6.846 6.846 683 2HD2 LEU 90 3HD2 LEU 90 -3.970 6.574 6.574 684 3HD2 LEU 90 2HD2 LEU 90 -2.597 6.399 6.399 685 H SER 91 H SER 91 -1.180 3.466 3.466 686 HA SER 91 HA SER 91 1.293 4.293 4.293 687 1HB SER 91 2HB SER 91 2.478 2.845 2.845 688 2HB SER 91 1HB SER 91 1.093 1.994 1.994 689 HG SER 91 HG SER 91 -0.136 2.680 2.680 690 H ALA 92 H ALA 92 0.271 4.737 4.737 691 HA ALA 92 HA ALA 92 2.307 6.395 6.395 692 1HB ALA 92 3HB ALA 92 0.468 5.522 5.522 693 2HB ALA 92 2HB ALA 92 -0.679 6.614 6.614 694 3HB ALA 92 1HB ALA 92 0.652 7.254 7.254 695 H SER 93 H SER 93 -0.837 7.589 7.589 696 HA SER 93 HA SER 93 -0.079 10.317 10.317 697 1HB SER 93 2HB SER 93 -1.757 10.473 10.473 698 2HB SER 93 1HB SER 93 -2.362 9.919 9.919 699 HG SER 93 HG SER 93 -1.423 7.801 7.801 700 H LEU 94 H LEU 94 1.126 7.851 7.851 701 HA LEU 94 HA LEU 94 2.078 9.507 9.507 702 1HB LEU 94 2HB LEU 94 1.671 6.609 6.609 703 2HB LEU 94 1HB LEU 94 3.282 6.892 6.892 704 HG LEU 94 HG LEU 94 2.109 8.271 8.271 705 1HD1 LEU 94 1HD1 LEU 94 -0.114 8.408 8.408 706 2HD1 LEU 94 3HD1 LEU 94 -0.266 6.662 6.662 707 3HD1 LEU 94 2HD1 LEU 94 -0.253 7.608 7.608 708 1HD2 LEU 94 3HD2 LEU 94 3.118 5.997 5.997 709 2HD2 LEU 94 2HD2 LEU 94 1.660 6.239 6.239 710 3HD2 LEU 94 1HD2 LEU 94 1.613 5.250 5.250 711 H THR 95 H THR 95 3.191 7.734 7.734 712 HA THR 95 HA THR 95 5.977 8.372 8.372 713 HB THR 95 HB THR 95 4.545 7.434 7.434 714 HG1 THR 95 HG1 THR 95 4.629 5.931 5.931 715 1HG2 THR 95 2HG2 THR 95 7.557 7.710 7.710 716 2HG2 THR 95 1HG2 THR 95 7.030 7.064 7.064 717 3HG2 THR 95 3HG2 THR 95 6.834 8.762 8.762 718 H ASN 96 H ASN 96 3.666 9.811 9.811 719 HA ASN 96 HA ASN 96 5.454 11.637 11.637 720 1HB ASN 96 2HB ASN 96 3.439 13.147 13.147 721 2HB ASN 96 1HB ASN 96 3.055 11.469 11.469 722 1HD2 ASN 96 2HD2 ASN 96 0.821 13.171 13.171 723 2HD2 ASN 96 1HD2 ASN 96 1.674 14.087 14.087 724 H ILE 97 H ILE 97 3.451 12.245 12.245 725 HA ILE 97 HA ILE 97 4.563 14.737 14.737 726 HB ILE 97 HB ILE 97 2.432 13.819 13.819 727 1HG1 ILE 97 2HG1 ILE 97 2.814 14.389 14.389 728 2HG1 ILE 97 1HG1 ILE 97 4.503 14.505 14.505 729 1HG2 ILE 97 2HG2 ILE 97 3.078 11.494 11.494 730 2HG2 ILE 97 1HG2 ILE 97 4.148 11.922 11.922 731 3HG2 ILE 97 3HG2 ILE 97 2.411 12.129 12.129 732 1HD1 ILE 97 1HD1 ILE 97 2.264 16.137 16.137 733 2HD1 ILE 97 3HD1 ILE 97 3.332 16.753 16.753 734 3HD1 ILE 97 2HD1 ILE 97 3.957 16.306 16.306 735 H THR 98 H THR 98 5.596 11.483 11.483 736 HA THR 98 HA THR 98 7.523 11.788 11.788 737 HB THR 98 HB THR 98 8.183 10.355 10.355 738 HG1 THR 98 HG1 THR 98 6.281 9.712 9.712 739 1HG2 THR 98 1HG2 THR 98 10.172 10.663 10.663 740 2HG2 THR 98 3HG2 THR 98 9.247 9.780 9.780 741 3HG2 THR 98 2HG2 THR 98 9.690 9.000 9.000 742 H ARG 99 H ARG 99 8.024 12.443 12.443 743 HA ARG 99 HA ARG 99 10.598 13.703 13.703 744 1HB ARG 99 2HB ARG 99 8.574 13.846 13.846 745 2HB ARG 99 1HB ARG 99 10.300 14.134 14.134 746 1HG ARG 99 2HG ARG 99 10.790 11.914 11.914 747 2HG ARG 99 1HG ARG 99 9.882 11.524 11.524 748 1HD ARG 99 2HD ARG 99 8.609 10.310 10.310 749 2HD ARG 99 1HD ARG 99 7.806 11.836 11.836 750 HE ARG 99 HE ARG 99 8.951 12.434 12.434 751 1HH1 ARG 99 2HH1 ARG 99 9.729 9.279 9.279 752 2HH1 ARG 99 1HH1 ARG 99 10.356 8.705 8.705 753 1HH2 ARG 99 1HH2 ARG 99 9.722 11.777 11.777 754 2HH2 ARG 99 2HH2 ARG 99 10.390 10.214 10.214 755 H ASP 100 H ASP 100 7.448 15.161 15.161 756 HA ASP 100 HA ASP 100 7.952 17.811 17.811 757 1HB ASP 100 2HB ASP 100 5.728 16.752 16.752 758 2HB ASP 100 1HB ASP 100 5.744 18.267 18.267 759 H GLN 101 H GLN 101 7.254 16.040 16.040 760 HA GLN 101 HA GLN 101 7.785 18.114 18.114 761 1HB GLN 101 2HB GLN 101 7.375 15.097 15.097 762 2HB GLN 101 1HB GLN 101 7.512 15.941 15.941 763 1HG GLN 101 2HG GLN 101 5.496 16.488 16.488 764 2HG GLN 101 1HG GLN 101 5.119 15.750 15.750 765 1HE2 GLN 101 2HE2 GLN 101 6.012 19.331 19.331 766 2HE2 GLN 101 1HE2 GLN 101 7.101 18.044 18.044 767 H LYS 102 H LYS 102 9.631 15.378 15.378 768 HA LYS 102 HA LYS 102 11.884 15.654 15.654 769 1HB LYS 102 2HB LYS 102 11.606 13.824 13.824 770 2HB LYS 102 1HB LYS 102 11.938 15.050 15.050 771 1HG LYS 102 2HG LYS 102 14.170 15.451 15.451 772 2HG LYS 102 1HG LYS 102 13.894 14.455 14.455 773 1HD LYS 102 2HD LYS 102 13.477 12.521 12.521 774 2HD LYS 102 1HD LYS 102 14.132 13.599 13.599 775 1HE LYS 102 2HE LYS 102 16.224 13.859 13.859 776 2HE LYS 102 1HE LYS 102 15.588 12.856 12.856 777 1HZ LYS 102 1HZ LYS 102 15.309 11.468 11.468 778 2HZ LYS 102 3HZ LYS 102 16.902 12.041 12.041 779 3HZ LYS 102 2HZ LYS 102 16.246 11.055 11.055 780 H VAL 103 H VAL 103 10.715 17.534 17.534 781 HA VAL 103 HA VAL 103 13.191 19.222 19.222 782 HB VAL 103 HB VAL 103 10.734 19.333 19.333 783 1HG1 VAL 103 2HG1 VAL 103 13.503 20.596 20.596 784 2HG1 VAL 103 1HG1 VAL 103 12.206 20.672 20.672 785 3HG1 VAL 103 3HG1 VAL 103 12.027 21.470 21.470 786 1HG2 VAL 103 2HG2 VAL 103 13.451 18.015 18.015 787 2HG2 VAL 103 1HG2 VAL 103 11.933 17.174 17.174 788 3HG2 VAL 103 3HG2 VAL 103 12.186 18.115 18.115 789 H LEU 104 H LEU 104 9.898 19.309 19.309 790 HA LEU 104 HA LEU 104 9.914 22.209 22.209 791 1HB LEU 104 2HB LEU 104 8.006 20.111 20.111 792 2HB LEU 104 1HB LEU 104 7.796 21.821 21.821 793 HG LEU 104 HG LEU 104 8.107 20.735 20.735 794 1HD1 LEU 104 2HD1 LEU 104 5.510 21.030 21.030 795 2HD1 LEU 104 1HD1 LEU 104 5.614 20.616 20.616 796 3HD1 LEU 104 3HD1 LEU 104 6.222 19.508 19.508 797 1HD2 LEU 104 3HD2 LEU 104 8.292 23.195 23.195 798 2HD2 LEU 104 2HD2 LEU 104 6.873 22.786 22.786 799 3HD2 LEU 104 1HD2 LEU 104 6.710 23.192 23.192 800 H ASN 105 H ASN 105 10.528 19.515 19.515 801 HA ASN 105 HA ASN 105 11.396 21.786 21.786 802 1HB ASN 105 2HB ASN 105 9.578 19.631 19.631 803 2HB ASN 105 1HB ASN 105 10.238 20.919 20.919 804 1HD2 ASN 105 2HD2 ASN 105 7.853 23.249 23.249 805 2HD2 ASN 105 1HD2 ASN 105 9.257 23.004 23.004 806 HA PRO 106 HA PRO 106 14.780 19.458 19.458 807 1HB PRO 106 2HB PRO 106 15.188 20.886 20.886 808 2HB PRO 106 1HB PRO 106 15.641 21.518 21.518 809 1HG PRO 106 2HG PRO 106 13.041 22.022 22.022 810 2HG PRO 106 1HG PRO 106 14.121 23.219 23.219 811 1HD PRO 106 2HD PRO 106 11.942 22.419 22.419 812 2HD PRO 106 1HD PRO 106 13.435 22.634 22.634 813 H SER 107 H SER 107 11.746 19.454 19.454 814 HA SER 107 HA SER 107 12.193 17.371 17.371 815 1HB SER 107 2HB SER 107 11.018 19.340 19.340 816 2HB SER 107 1HB SER 107 9.887 19.442 19.442 817 HG SER 107 HG SER 107 9.723 17.882 17.882 818 H ALA 108 H ALA 108 9.909 18.541 18.541 819 HA ALA 108 HA ALA 108 8.398 16.274 16.274 820 1HB ALA 108 2HB ALA 108 9.583 18.060 18.060 821 2HB ALA 108 1HB ALA 108 8.251 16.948 16.948 822 3HB ALA 108 3HB ALA 108 8.055 18.349 18.349 823 H VAL 109 H VAL 109 11.618 17.101 17.101 824 HA VAL 109 HA VAL 109 12.214 15.041 15.041 825 HB VAL 109 HB VAL 109 13.747 16.912 16.912 826 1HG1 VAL 109 1HG1 VAL 109 13.203 17.060 17.060 827 2HG1 VAL 109 3HG1 VAL 109 14.139 15.629 15.629 828 3HG1 VAL 109 2HG1 VAL 109 14.926 17.074 17.074 829 1HG2 VAL 109 1HG2 VAL 109 14.843 14.863 14.863 830 2HG2 VAL 109 3HG2 VAL 109 15.907 15.725 15.725 831 3HG2 VAL 109 2HG2 VAL 109 15.071 14.278 14.278 832 H SER 110 H SER 110 12.200 15.016 15.016 833 HA SER 110 HA SER 110 13.153 12.288 12.288 834 1HB SER 110 2HB SER 110 11.442 13.954 13.954 835 2HB SER 110 1HB SER 110 12.649 12.724 12.724 836 HG SER 110 HG SER 110 14.198 14.176 14.176 837 H LEU 111 H LEU 111 10.033 13.854 13.854 838 HA LEU 111 HA LEU 111 8.321 11.665 11.665 839 1HB LEU 111 2HB LEU 111 7.251 13.683 13.683 840 2HB LEU 111 1HB LEU 111 8.121 14.275 14.275 841 HG LEU 111 HG LEU 111 5.646 12.525 12.525 842 1HD1 LEU 111 2HD1 LEU 111 6.366 15.302 15.302 843 2HD1 LEU 111 1HD1 LEU 111 4.780 14.604 14.604 844 3HD1 LEU 111 3HD1 LEU 111 5.398 14.977 14.977 845 1HD2 LEU 111 1HD2 LEU 111 7.191 13.448 13.448 846 2HD2 LEU 111 3HD2 LEU 111 6.869 11.768 11.768 847 3HD2 LEU 111 2HD2 LEU 111 5.564 12.821 12.821 848 H HIS 112 H HIS 112 9.478 12.809 12.809 849 HA HIS 112 HA HIS 112 8.354 10.749 10.749 850 1HB HIS 112 2HB HIS 112 9.548 11.656 11.656 851 2HB HIS 112 1HB HIS 112 9.849 12.925 12.925 852 HD1 HIS 112 HD1 HIS 112 11.805 9.656 9.656 853 HD2 HIS 112 HD2 HIS 112 12.180 13.696 13.696 854 HE1 HIS 112 HE1 HIS 112 14.218 10.102 10.102 855 H SER 113 H SER 113 11.475 10.800 10.800 856 HA SER 113 HA SER 113 12.560 8.350 8.350 857 1HB SER 113 2HB SER 113 13.490 10.068 10.068 858 2HB SER 113 1HB SER 113 12.497 9.258 9.258 859 HG SER 113 HG SER 113 13.909 7.469 7.469 860 H LYS 114 H LYS 114 10.280 8.865 8.865 861 HA LYS 114 HA LYS 114 9.700 6.134 6.134 862 1HB LYS 114 2HB LYS 114 7.991 8.682 8.682 863 2HB LYS 114 1HB LYS 114 7.459 7.147 7.147 864 1HG LYS 114 2HG LYS 114 10.185 8.235 8.235 865 2HG LYS 114 1HG LYS 114 8.749 8.862 8.862 866 1HD LYS 114 2HD LYS 114 8.074 6.766 6.766 867 2HD LYS 114 1HD LYS 114 9.166 5.836 5.836 868 1HE LYS 114 2HE LYS 114 9.975 7.823 7.823 869 2HE LYS 114 1HE LYS 114 9.953 6.079 6.079 870 1HZ LYS 114 1HZ LYS 114 11.399 6.654 6.654 871 2HZ LYS 114 3HZ LYS 114 11.982 7.661 7.661 872 3HZ LYS 114 2HZ LYS 114 11.978 5.992 5.992 873 H LEU 115 H LEU 115 8.059 8.366 8.366 874 HA LEU 115 HA LEU 115 6.001 6.804 6.804 875 1HB LEU 115 2HB LEU 115 6.978 9.398 9.398 876 2HB LEU 115 1HB LEU 115 7.284 8.658 8.658 877 HG LEU 115 HG LEU 115 4.837 7.989 7.989 878 1HD1 LEU 115 2HD1 LEU 115 4.421 7.959 7.959 879 2HD1 LEU 115 1HD1 LEU 115 4.664 9.701 9.701 880 3HD1 LEU 115 3HD1 LEU 115 3.292 8.996 8.996 881 1HD2 LEU 115 2HD2 LEU 115 5.646 10.198 10.198 882 2HD2 LEU 115 1HD2 LEU 115 3.979 10.281 10.281 883 3HD2 LEU 115 3HD2 LEU 115 5.269 10.964 10.964 884 H ASN 116 H ASN 116 9.326 7.049 7.049 885 HA ASN 116 HA ASN 116 9.325 5.573 5.573 886 1HB ASN 116 2HB ASN 116 11.500 5.475 5.475 887 2HB ASN 116 1HB ASN 116 11.648 4.710 4.710 888 1HD2 ASN 116 2HD2 ASN 116 12.742 7.567 7.567 889 2HD2 ASN 116 1HD2 ASN 116 12.395 5.900 5.900 890 H ALA 117 H ALA 117 9.916 4.521 4.521 891 HA ALA 117 HA ALA 117 10.052 1.756 1.756 892 1HB ALA 117 3HB ALA 117 8.800 3.001 3.001 893 2HB ALA 117 2HB ALA 117 9.286 1.324 1.324 894 3HB ALA 117 1HB ALA 117 10.502 2.590 2.590 895 H THR 118 H THR 118 7.142 3.430 3.430 896 HA THR 118 HA THR 118 5.312 1.405 1.405 897 HB THR 118 HB THR 118 3.876 3.711 3.711 898 HG1 THR 118 HG1 THR 118 5.838 4.817 4.817 899 1HG2 THR 118 3HG2 THR 118 4.664 3.131 3.131 900 2HG2 THR 118 2HG2 THR 118 3.283 4.086 4.086 901 3HG2 THR 118 1HG2 THR 118 3.316 2.351 2.351 902 H ILE 119 H ILE 119 5.940 3.845 3.845 903 HA ILE 119 HA ILE 119 4.518 2.926 2.926 904 HB ILE 119 HB ILE 119 7.266 4.183 4.183 905 1HG1 ILE 119 2HG1 ILE 119 4.660 5.465 5.465 906 2HG1 ILE 119 1HG1 ILE 119 5.118 5.440 5.440 907 1HG2 ILE 119 1HG2 ILE 119 5.513 3.717 3.717 908 2HG2 ILE 119 3HG2 ILE 119 6.957 4.729 4.729 909 3HG2 ILE 119 2HG2 ILE 119 7.094 3.004 3.004 910 1HD1 ILE 119 3HD1 ILE 119 7.280 6.598 6.598 911 2HD1 ILE 119 2HD1 ILE 119 6.774 6.627 6.627 912 3HD1 ILE 119 1HD1 ILE 119 5.880 7.526 7.526 913 H ASP 120 H ASP 120 7.809 1.944 1.944 914 HA ASP 120 HA ASP 120 7.877 0.044 0.044 915 1HB ASP 120 2HB ASP 120 9.897 1.258 1.258 916 2HB ASP 120 1HB ASP 120 9.838 -0.008 -0.008 917 H VAL 121 H VAL 121 7.932 -0.435 -0.435 918 HA VAL 121 HA VAL 121 7.785 -3.285 -3.285 919 HB VAL 121 HB VAL 121 7.149 -3.026 -3.026 920 1HG1 VAL 121 2HG1 VAL 121 8.967 -0.719 -0.719 921 2HG1 VAL 121 1HG1 VAL 121 8.792 -1.399 -1.399 922 3HG1 VAL 121 3HG1 VAL 121 9.451 -2.371 -2.371 923 1HG2 VAL 121 3HG2 VAL 121 6.285 -0.244 -0.244 924 2HG2 VAL 121 2HG2 VAL 121 5.268 -1.565 -1.565 925 3HG2 VAL 121 1HG2 VAL 121 6.425 -0.857 -0.857 926 H MET 122 H MET 122 5.517 -0.756 -0.756 927 HA MET 122 HA MET 122 3.103 -2.385 -2.385 928 1HB MET 122 2HB MET 122 3.066 0.073 0.073 929 2HB MET 122 1HB MET 122 3.570 0.424 0.424 930 1HG MET 122 2HG MET 122 1.267 0.711 0.711 931 2HG MET 122 1HG MET 122 1.533 -0.759 -0.759 932 1HE MET 122 2HE MET 122 0.698 0.861 0.861 933 2HE MET 122 1HE MET 122 -0.927 0.632 0.632 934 3HE MET 122 3HE MET 122 -0.422 -0.214 -0.214 935 H ARG 123 H ARG 123 5.179 -0.896 -0.896 936 HA ARG 123 HA ARG 123 3.768 -1.960 -1.960 937 1HB ARG 123 2HB ARG 123 6.797 -1.667 -1.667 938 2HB ARG 123 1HB ARG 123 6.113 -2.175 -2.175 939 1HG ARG 123 2HG ARG 123 4.609 0.165 0.165 940 2HG ARG 123 1HG ARG 123 6.287 0.511 0.511 941 1HD ARG 123 2HD ARG 123 5.333 -0.582 -0.582 942 2HD ARG 123 1HD ARG 123 5.459 1.140 1.140 943 HE ARG 123 HE ARG 123 7.854 0.761 0.761 944 1HH1 ARG 123 2HH1 ARG 123 6.282 -1.455 -1.455 945 2HH1 ARG 123 1HH1 ARG 123 7.696 -1.979 -1.979 946 1HH2 ARG 123 1HH2 ARG 123 9.750 0.186 0.186 947 2HH2 ARG 123 2HH2 ARG 123 9.790 -0.983 -0.983 948 H GLY 124 H GLY 124 6.207 -3.515 -3.515 949 1HA GLY 124 2HA GLY 124 6.271 -6.060 -6.060 950 2HA GLY 124 1HA GLY 124 6.491 -5.824 -5.824 951 H LEU 125 H LEU 125 4.114 -4.960 -4.960 952 HA LEU 125 HA LEU 125 2.479 -7.252 -7.252 953 1HB LEU 125 2HB LEU 125 1.986 -4.271 -4.271 954 2HB LEU 125 1HB LEU 125 0.563 -5.247 -5.247 955 HG LEU 125 HG LEU 125 2.347 -6.528 -6.528 956 1HD1 LEU 125 1HD1 LEU 125 1.583 -3.628 -3.628 957 2HD1 LEU 125 3HD1 LEU 125 2.252 -4.752 -4.752 958 3HD1 LEU 125 2HD1 LEU 125 3.229 -4.216 -4.216 959 1HD2 LEU 125 2HD2 LEU 125 -0.168 -6.767 -6.767 960 2HD2 LEU 125 1HD2 LEU 125 0.352 -6.354 -6.354 961 3HD2 LEU 125 3HD2 LEU 125 -0.351 -5.122 -5.122 962 H LEU 126 H LEU 126 1.975 -4.515 -4.515 963 HA LEU 126 HA LEU 126 -0.156 -5.765 -5.765 964 1HB LEU 126 2HB LEU 126 1.842 -3.657 -3.657 965 2HB LEU 126 1HB LEU 126 0.997 -4.415 -4.415 966 HG LEU 126 HG LEU 126 -1.151 -4.077 -4.077 967 1HD1 LEU 126 1HD1 LEU 126 0.088 -3.285 -3.285 968 2HD1 LEU 126 3HD1 LEU 126 0.663 -1.911 -1.911 969 3HD1 LEU 126 2HD1 LEU 126 -1.061 -2.179 -2.179 970 1HD2 LEU 126 1HD2 LEU 126 -0.797 -2.781 -2.781 971 2HD2 LEU 126 3HD2 LEU 126 -1.696 -2.078 -2.078 972 3HD2 LEU 126 2HD2 LEU 126 -0.048 -1.551 -1.551 973 H SER 127 H SER 127 3.180 -5.846 -5.846 974 HA SER 127 HA SER 127 3.156 -7.486 -7.486 975 1HB SER 127 2HB SER 127 5.155 -6.333 -6.333 976 2HB SER 127 1HB SER 127 5.289 -7.949 -7.949 977 HG SER 127 HG SER 127 5.927 -7.107 -7.107 978 H ASN 128 H ASN 128 3.182 -8.451 -8.451 979 HA ASN 128 HA ASN 128 3.045 -11.304 -11.304 980 1HB ASN 128 2HB ASN 128 2.516 -9.604 -9.604 981 2HB ASN 128 1HB ASN 128 2.311 -11.351 -11.351 982 1HD2 ASN 128 2HD2 ASN 128 6.035 -9.807 -9.807 983 2HD2 ASN 128 1HD2 ASN 128 4.671 -8.799 -8.799 984 H VAL 129 H VAL 129 0.642 -8.736 -8.736 985 HA VAL 129 HA VAL 129 -1.474 -10.709 -10.709 986 HB VAL 129 HB VAL 129 -1.392 -7.731 -7.731 987 1HG1 VAL 129 3HG1 VAL 129 -3.802 -9.541 -9.541 988 2HG1 VAL 129 2HG1 VAL 129 -4.011 -7.828 -7.828 989 3HG1 VAL 129 1HG1 VAL 129 -3.080 -8.418 -8.418 990 1HG2 VAL 129 2HG2 VAL 129 -3.186 -9.584 -9.584 991 2HG2 VAL 129 1HG2 VAL 129 -1.763 -8.758 -8.758 992 3HG2 VAL 129 3HG2 VAL 129 -3.183 -7.838 -7.838 993 H LEU 130 H LEU 130 -0.406 -8.855 -8.855 994 HA LEU 130 HA LEU 130 -2.292 -10.076 -10.076 995 1HB LEU 130 2HB LEU 130 -0.096 -8.348 -8.348 996 2HB LEU 130 1HB LEU 130 0.356 -9.810 -9.810 997 HG LEU 130 HG LEU 130 -0.911 -8.358 -8.358 998 1HD1 LEU 130 2HD1 LEU 130 -1.357 -10.814 -10.814 999 2HD1 LEU 130 1HD1 LEU 130 -2.747 -10.652 -10.652 1000 3HD1 LEU 130 3HD1 LEU 130 -2.724 -9.842 -9.842 1001 1HD2 LEU 130 2HD2 LEU 130 -3.117 -8.345 -8.345 1002 2HD2 LEU 130 1HD2 LEU 130 -2.106 -6.990 -6.990 1003 3HD2 LEU 130 3HD2 LEU 130 -3.200 -7.713 -7.713 1004 H CYS 131 H CYS 131 0.822 -11.306 -11.306 1005 HA CYS 131 HA CYS 131 0.894 -13.664 -13.664 1006 1HB CYS 131 2HB CYS 131 2.831 -12.947 -12.947 1007 2HB CYS 131 1HB CYS 131 2.025 -13.003 -13.003 1008 H ARG 132 H ARG 132 -0.025 -13.310 -13.310 1009 HA ARG 132 HA ARG 132 -1.287 -15.668 -15.668 1010 1HB ARG 132 2HB ARG 132 -1.145 -13.123 -13.123 1011 2HB ARG 132 1HB ARG 132 -2.835 -13.215 -13.215 1012 1HG ARG 132 2HG ARG 132 -1.380 -15.252 -15.252 1013 2HG ARG 132 1HG ARG 132 -2.221 -13.841 -13.841 1014 1HD ARG 132 2HD ARG 132 -3.711 -15.728 -15.728 1015 2HD ARG 132 1HD ARG 132 -4.355 -14.727 -14.727 1016 HE ARG 132 HE ARG 132 -3.743 -16.256 -16.256 1017 1HH1 ARG 132 2HH1 ARG 132 -2.894 -17.384 -17.384 1018 2HH1 ARG 132 1HH1 ARG 132 -2.753 -19.024 -19.024 1019 1HH2 ARG 132 1HH2 ARG 132 -3.534 -18.331 -18.331 1020 2HH2 ARG 132 2HH2 ARG 132 -3.070 -19.583 -19.583 1021 H LEU 133 H LEU 133 -2.562 -12.972 -12.972 1022 HA LEU 133 HA LEU 133 -5.180 -14.001 -14.001 1023 1HB LEU 133 2HB LEU 133 -3.634 -11.709 -11.709 1024 2HB LEU 133 1HB LEU 133 -5.253 -12.102 -12.102 1025 HG LEU 133 HG LEU 133 -4.451 -11.346 -11.346 1026 1HD1 LEU 133 2HD1 LEU 133 -5.930 -9.805 -9.805 1027 2HD1 LEU 133 1HD1 LEU 133 -5.768 -9.244 -9.244 1028 3HD1 LEU 133 3HD1 LEU 133 -4.352 -9.427 -9.427 1029 1HD2 LEU 133 1HD2 LEU 133 -7.231 -11.888 -11.888 1030 2HD2 LEU 133 3HD2 LEU 133 -6.419 -12.849 -12.849 1031 3HD2 LEU 133 2HD2 LEU 133 -6.919 -11.227 -11.227 1032 H CYS 134 H CYS 134 -2.753 -13.290 -13.290 1033 HA CYS 134 HA CYS 134 -4.057 -14.704 -14.704 1034 1HB CYS 134 2HB CYS 134 -1.802 -15.474 -15.474 1035 2HB CYS 134 1HB CYS 134 -2.041 -13.767 -13.767 1036 H ASN 135 H ASN 135 -1.928 -16.157 -16.157 1037 HA ASN 135 HA ASN 135 -1.904 -18.871 -18.871 1038 1HB ASN 135 2HB ASN 135 -2.269 -17.427 -17.427 1039 2HB ASN 135 1HB ASN 135 -2.144 -19.183 -19.183 1040 1HD2 ASN 135 2HD2 ASN 135 1.281 -17.152 -17.152 1041 2HD2 ASN 135 1HD2 ASN 135 -0.166 -16.510 -16.510 1042 H LYS 136 H LYS 136 -4.746 -17.204 -17.204 1043 HA LYS 136 HA LYS 136 -6.328 -19.606 -19.606 1044 1HB LYS 136 2HB LYS 136 -7.038 -17.670 -17.670 1045 2HB LYS 136 1HB LYS 136 -7.921 -19.101 -19.101 1046 1HG LYS 136 2HG LYS 136 -5.761 -20.400 -20.400 1047 2HG LYS 136 1HG LYS 136 -5.299 -18.873 -18.873 1048 1HD LYS 136 2HD LYS 136 -7.412 -18.509 -18.509 1049 2HD LYS 136 1HD LYS 136 -8.131 -19.949 -19.949 1050 1HE LYS 136 2HE LYS 136 -6.669 -21.346 -21.346 1051 2HE LYS 136 1HE LYS 136 -6.005 -19.875 -19.875 1052 1HZ LYS 136 3HZ LYS 136 -8.761 -19.535 -19.535 1053 2HZ LYS 136 2HZ LYS 136 -8.479 -21.130 -21.130 1054 3HZ LYS 136 1HZ LYS 136 -7.758 -19.761 -19.761 1055 H TYR 137 H TYR 137 -5.938 -16.506 -16.506 1056 HA TYR 137 HA TYR 137 -8.504 -15.995 -15.995 1057 1HB TYR 137 2HB TYR 137 -6.847 -13.911 -13.911 1058 2HB TYR 137 1HB TYR 137 -8.422 -13.640 -13.640 1059 HD1 TYR 137 HD2 TYR 137 -10.457 -14.597 -14.597 1060 HD2 TYR 137 HD1 TYR 137 -6.662 -15.198 -15.198 1061 HE1 TYR 137 HE2 TYR 137 -11.540 -15.375 -15.375 1062 HE2 TYR 137 HE1 TYR 137 -7.713 -15.948 -15.948 1063 HH TYR 137 HH TYR 137 -9.712 -16.682 -16.682 1064 H ARG 138 H ARG 138 -6.965 -17.083 -17.083 1065 HA ARG 138 HA ARG 138 -4.988 -15.198 -15.198 1066 1HB ARG 138 2HB ARG 138 -4.407 -17.634 -17.634 1067 2HB ARG 138 1HB ARG 138 -5.634 -18.098 -18.098 1068 1HG ARG 138 2HG ARG 138 -4.137 -16.283 -16.283 1069 2HG ARG 138 1HG ARG 138 -2.913 -16.982 -16.982 1070 1HD ARG 138 2HD ARG 138 -3.197 -18.208 -18.208 1071 2HD ARG 138 1HD ARG 138 -3.568 -19.161 -19.161 1072 HE ARG 138 HE ARG 138 -5.845 -17.741 -17.741 1073 1HH1 ARG 138 2HH1 ARG 138 -3.965 -20.580 -20.580 1074 2HH1 ARG 138 1HH1 ARG 138 -5.155 -21.667 -21.667 1075 1HH2 ARG 138 1HH2 ARG 138 -7.506 -19.063 -19.063 1076 2HH2 ARG 138 2HH2 ARG 138 -7.268 -20.747 -20.747 1077 H VAL 139 H VAL 139 -7.039 -14.148 -14.148 1078 HA VAL 139 HA VAL 139 -8.540 -14.603 -14.603 1079 HB VAL 139 HB VAL 139 -9.941 -14.423 -14.423 1080 1HG1 VAL 139 1HG1 VAL 139 -8.392 -13.061 -13.061 1081 2HG1 VAL 139 3HG1 VAL 139 -8.760 -11.645 -11.645 1082 3HG1 VAL 139 2HG1 VAL 139 -10.017 -12.420 -12.420 1083 1HG2 VAL 139 1HG2 VAL 139 -10.831 -13.446 -13.446 1084 2HG2 VAL 139 3HG2 VAL 139 -11.381 -12.513 -12.513 1085 3HG2 VAL 139 2HG2 VAL 139 -10.089 -11.901 -11.901 1086 H GLY 140 H GLY 140 -7.054 -12.048 -12.048 1087 1HA GLY 140 2HA GLY 140 -5.413 -10.496 -10.496 1088 2HA GLY 140 1HA GLY 140 -5.780 -10.886 -10.886 1089 H HIS 141 H HIS 141 -8.207 -9.964 -9.964 1090 HA HIS 141 HA HIS 141 -8.468 -7.288 -7.288 1091 1HB HIS 141 2HB HIS 141 -10.293 -8.947 -8.947 1092 2HB HIS 141 1HB HIS 141 -10.751 -8.986 -8.986 1093 HD1 HIS 141 HD1 HIS 141 -12.910 -8.014 -8.014 1094 HD2 HIS 141 HD2 HIS 141 -10.037 -5.326 -5.326 1095 HE1 HIS 141 HE1 HIS 141 -13.921 -5.761 -5.761 1096 H VAL 142 H VAL 142 -6.871 -7.322 -7.322 1097 HA VAL 142 HA VAL 142 -8.165 -6.618 -6.618 1098 HB VAL 142 HB VAL 142 -6.213 -8.088 -8.088 1099 1HG1 VAL 142 2HG1 VAL 142 -5.096 -7.372 -7.372 1100 2HG1 VAL 142 1HG1 VAL 142 -4.600 -5.868 -5.868 1101 3HG1 VAL 142 3HG1 VAL 142 -3.965 -7.387 -7.387 1102 1HG2 VAL 142 2HG2 VAL 142 -6.504 -6.374 -6.374 1103 2HG2 VAL 142 1HG2 VAL 142 -4.815 -6.727 -6.727 1104 3HG2 VAL 142 3HG2 VAL 142 -5.484 -5.249 -5.249 1105 H ASP 143 H ASP 143 -6.091 -5.235 -5.235 1106 HA ASP 143 HA ASP 143 -5.466 -3.127 -3.127 1107 1HB ASP 143 2HB ASP 143 -7.611 -1.622 -1.622 1108 2HB ASP 143 1HB ASP 143 -6.990 -1.451 -1.451 1109 H VAL 144 H VAL 144 -3.924 -1.894 -1.894 1110 HA VAL 144 HA VAL 144 -3.846 -0.897 -0.897 1111 HB VAL 144 HB VAL 144 -1.426 -1.921 -1.921 1112 1HG1 VAL 144 2HG1 VAL 144 -1.860 -1.309 -1.309 1113 2HG1 VAL 144 1HG1 VAL 144 -0.387 -1.996 -1.996 1114 3HG1 VAL 144 3HG1 VAL 144 -0.911 -0.388 -0.388 1115 1HG2 VAL 144 1HG2 VAL 144 -3.213 -3.464 -3.464 1116 2HG2 VAL 144 3HG2 VAL 144 -2.931 -3.847 -3.847 1117 3HG2 VAL 144 2HG2 VAL 144 -1.632 -4.032 -4.032 1118 HA PRO 145 HA PRO 145 -2.911 2.435 2.435 1119 1HB PRO 145 2HB PRO 145 -5.067 4.043 4.043 1120 2HB PRO 145 1HB PRO 145 -5.158 2.568 2.568 1121 1HG PRO 145 2HG PRO 145 -6.002 2.914 2.914 1122 2HG PRO 145 1HG PRO 145 -6.956 2.244 2.244 1123 1HD PRO 145 2HD PRO 145 -5.521 0.615 0.615 1124 2HD PRO 145 1HD PRO 145 -5.732 0.191 0.191 1125 HA PRO 146 HA PRO 146 -1.354 4.506 4.506 1126 1HB PRO 146 2HB PRO 146 0.553 6.067 6.067 1127 2HB PRO 146 1HB PRO 146 0.751 4.312 4.312 1128 1HG PRO 146 2HG PRO 146 -0.333 6.013 6.013 1129 2HG PRO 146 1HG PRO 146 0.959 4.816 4.816 1130 1HD PRO 146 2HD PRO 146 -1.613 4.154 4.154 1131 2HD PRO 146 1HD PRO 146 -0.592 2.964 2.964 1132 H VAL 147 H VAL 147 -3.713 5.357 5.357 1133 HA VAL 147 HA VAL 147 -3.592 8.338 8.338 1134 HB VAL 147 HB VAL 147 -4.759 7.377 7.377 1135 1HG1 VAL 147 3HG1 VAL 147 -5.459 5.169 5.169 1136 2HG1 VAL 147 2HG1 VAL 147 -6.658 5.993 5.993 1137 3HG1 VAL 147 1HG1 VAL 147 -6.802 5.998 5.998 1138 1HG2 VAL 147 3HG2 VAL 147 -5.719 9.479 9.479 1139 2HG2 VAL 147 2HG2 VAL 147 -6.985 8.472 8.472 1140 3HG2 VAL 147 1HG2 VAL 147 -6.784 8.579 8.579 1141 HA PRO 148 HA PRO 148 -5.709 8.292 8.292 1142 1HB PRO 148 2HB PRO 148 -4.065 9.678 9.678 1143 2HB PRO 148 1HB PRO 148 -3.501 8.070 8.070 1144 1HG PRO 148 2HG PRO 148 -2.709 10.721 10.721 1145 2HG PRO 148 1HG PRO 148 -1.668 9.357 9.357 1146 1HD PRO 148 2HD PRO 148 -2.934 9.874 9.874 1147 2HD PRO 148 1HD PRO 148 -2.183 8.327 8.327 1148 H ASP 149 H ASP 149 -7.056 10.104 10.104 1149 HA ASP 149 HA ASP 149 -6.722 12.583 12.583 1150 1HB ASP 149 2HB ASP 149 -8.491 10.767 10.767 1151 2HB ASP 149 1HB ASP 149 -9.451 11.486 11.486 1152 H HIS 150 H HIS 150 -5.856 13.478 13.478 1153 HA HIS 150 HA HIS 150 -7.470 14.120 14.120 1154 1HB HIS 150 2HB HIS 150 -5.100 15.117 15.117 1155 2HB HIS 150 1HB HIS 150 -5.242 13.362 13.362 1156 HD1 HIS 150 HD1 HIS 150 -4.080 12.248 12.248 1157 HD2 HIS 150 HD2 HIS 150 -3.600 16.298 16.298 1158 HE1 HIS 150 HE1 HIS 150 -2.366 12.694 12.694 1159 H SER 151 H SER 151 -7.185 15.308 15.308 1160 HA SER 151 HA SER 151 -6.694 18.154 18.154 1161 1HB SER 151 2HB SER 151 -7.604 16.859 16.859 1162 2HB SER 151 1HB SER 151 -6.869 18.458 18.458 1163 HG SER 151 HG SER 151 -5.595 16.121 16.121 1164 H ASP 152 H ASP 152 -8.521 17.398 17.398 1165 HA ASP 152 HA ASP 152 -11.187 18.321 18.321 1166 1HB ASP 152 2HB ASP 152 -11.195 16.008 16.008 1167 2HB ASP 152 1HB ASP 152 -10.560 16.636 16.636 1168 H LYS 153 H LYS 153 -8.641 18.829 18.829 1169 HA LYS 153 HA LYS 153 -9.841 21.396 21.396 1170 1HB LYS 153 2HB LYS 153 -8.222 19.414 19.414 1171 2HB LYS 153 1HB LYS 153 -8.981 20.866 20.866 1172 1HG LYS 153 2HG LYS 153 -10.619 18.587 18.587 1173 2HG LYS 153 1HG LYS 153 -10.334 18.838 18.838 1174 1HD LYS 153 2HD LYS 153 -11.433 21.033 21.033 1175 2HD LYS 153 1HD LYS 153 -11.601 21.012 21.012 1176 1HE LYS 153 2HE LYS 153 -12.876 18.924 18.924 1177 2HE LYS 153 1HE LYS 153 -13.718 20.367 20.367 1178 1HZ LYS 153 2HZ LYS 153 -12.620 19.150 19.150 1179 2HZ LYS 153 1HZ LYS 153 -13.350 17.920 17.920 1180 3HZ LYS 153 3HZ LYS 153 -14.201 19.253 19.253 1181 H GLU 154 H GLU 154 -8.378 22.999 22.999 1182 HA GLU 154 HA GLU 154 -5.903 22.182 22.182 1183 1HB GLU 154 2HB GLU 154 -5.874 24.854 24.854 1184 2HB GLU 154 1HB GLU 154 -6.833 23.750 23.750 1185 1HG GLU 154 2HG GLU 154 -8.084 25.795 25.795 1186 2HG GLU 154 1HG GLU 154 -8.873 24.299 24.299 1187 H VAL 155 H VAL 155 -6.169 25.023 25.023 1188 HA VAL 155 HA VAL 155 -3.466 25.203 25.203 1189 HB VAL 155 HB VAL 155 -4.299 26.256 26.256 1190 1HG1 VAL 155 3HG1 VAL 155 -5.504 27.223 27.223 1191 2HG1 VAL 155 2HG1 VAL 155 -5.509 28.183 28.183 1192 3HG1 VAL 155 1HG1 VAL 155 -3.992 27.713 27.713 1193 1HG2 VAL 155 2HG2 VAL 155 -7.071 25.480 25.480 1194 2HG2 VAL 155 1HG2 VAL 155 -6.306 24.895 24.895 1195 3HG2 VAL 155 3HG2 VAL 155 -6.773 26.568 26.568 1196 H PHE 156 H PHE 156 -5.990 23.327 23.327 1197 HA PHE 156 HA PHE 156 -4.760 22.006 22.006 1198 1HB PHE 156 2HB PHE 156 -6.842 20.750 20.750 1199 2HB PHE 156 1HB PHE 156 -6.616 20.423 20.423 1200 HD1 PHE 156 HD1 PHE 156 -8.054 22.801 22.801 1201 HD2 PHE 156 HD2 PHE 156 -7.420 22.013 22.013 1202 HE1 PHE 156 HE1 PHE 156 -9.731 24.437 24.437 1203 HE2 PHE 156 HE2 PHE 156 -9.111 23.672 23.672 1204 HZ PHE 156 HZ PHE 156 -10.286 24.900 24.900 1205 H GLN 157 H GLN 157 -5.480 20.626 20.626 1206 HA GLN 157 HA GLN 157 -4.112 18.243 18.243 1207 1HB GLN 157 2HB GLN 157 -5.407 18.650 18.650 1208 2HB GLN 157 1HB GLN 157 -4.575 20.155 20.155 1209 1HG GLN 157 2HG GLN 157 -3.177 17.462 17.462 1210 2HG GLN 157 1HG GLN 157 -4.186 18.120 18.120 1211 1HE2 GLN 157 2HE2 GLN 157 -1.933 20.879 20.879 1212 2HE2 GLN 157 1HE2 GLN 157 -3.601 20.578 20.578 1213 H LYS 158 H LYS 158 -2.731 21.340 21.340 1214 HA LYS 158 HA LYS 158 -0.171 20.336 20.336 1215 1HB LYS 158 2HB LYS 158 -1.292 22.965 22.965 1216 2HB LYS 158 1HB LYS 158 0.389 22.787 22.787 1217 1HG LYS 158 2HG LYS 158 -0.638 22.314 22.314 1218 2HG LYS 158 1HG LYS 158 -0.141 23.909 23.909 1219 1HD LYS 158 2HD LYS 158 2.099 22.910 22.910 1220 2HD LYS 158 1HD LYS 158 1.587 21.377 21.377 1221 1HE LYS 158 2HE LYS 158 1.380 22.385 22.385 1222 2HE LYS 158 1HE LYS 158 1.723 23.984 23.984 1223 1HZ LYS 158 1HZ LYS 158 3.825 22.228 22.228 1224 2HZ LYS 158 3HZ LYS 158 3.542 22.055 22.055 1225 3HZ LYS 158 2HZ LYS 158 3.919 23.577 23.577 1226 H LYS 159 H LYS 159 -1.491 20.282 20.282 1227 HA LYS 159 HA LYS 159 1.128 19.568 19.568 1228 1HB LYS 159 2HB LYS 159 -1.484 20.563 20.563 1229 2HB LYS 159 1HB LYS 159 -0.019 20.225 20.225 1230 1HG LYS 159 2HG LYS 159 1.041 22.160 22.160 1231 2HG LYS 159 1HG LYS 159 0.326 22.156 22.156 1232 1HD LYS 159 2HD LYS 159 -1.751 23.089 23.089 1233 2HD LYS 159 1HD LYS 159 -1.429 22.749 22.749 1234 1HE LYS 159 2HE LYS 159 0.098 24.774 24.774 1235 2HE LYS 159 1HE LYS 159 -1.118 25.153 25.153 1236 1HZ LYS 159 3HZ LYS 159 0.685 23.391 23.391 1237 2HZ LYS 159 2HZ LYS 159 1.606 24.649 24.649 1238 3HZ LYS 159 1HZ LYS 159 0.346 24.958 24.958 1239 H LYS 160 H LYS 160 -2.276 18.947 18.947 1240 HA LYS 160 HA LYS 160 -2.066 16.279 16.279 1241 1HB LYS 160 2HB LYS 160 -4.531 17.580 17.580 1242 2HB LYS 160 1HB LYS 160 -4.552 16.358 16.358 1243 1HG LYS 160 2HG LYS 160 -3.178 18.305 18.305 1244 2HG LYS 160 1HG LYS 160 -4.007 19.276 19.276 1245 1HD LYS 160 2HD LYS 160 -6.091 18.929 18.929 1246 2HD LYS 160 1HD LYS 160 -5.715 17.375 17.375 1247 1HE LYS 160 2HE LYS 160 -5.970 19.333 19.333 1248 2HE LYS 160 1HE LYS 160 -4.600 18.331 18.331 1249 1HZ LYS 160 1HZ LYS 160 -3.964 20.449 20.449 1250 2HZ LYS 160 3HZ LYS 160 -4.683 21.060 21.060 1251 3HZ LYS 160 2HZ LYS 160 -3.325 20.096 20.096 1252 H LEU 161 H LEU 161 -1.213 17.086 17.086 1253 HA LEU 161 HA LEU 161 -2.654 15.746 15.746 1254 1HB LEU 161 2HB LEU 161 -0.269 16.937 16.937 1255 2HB LEU 161 1HB LEU 161 0.354 15.330 15.330 1256 HG LEU 161 HG LEU 161 -1.355 16.128 16.128 1257 1HD1 LEU 161 1HD1 LEU 161 0.918 17.015 17.015 1258 2HD1 LEU 161 3HD1 LEU 161 1.612 15.429 15.429 1259 3HD1 LEU 161 2HD1 LEU 161 0.673 15.760 15.760 1260 1HD2 LEU 161 1HD2 LEU 161 -0.204 13.407 13.407 1261 2HD2 LEU 161 3HD2 LEU 161 -1.884 13.848 13.848 1262 3HD2 LEU 161 2HD2 LEU 161 -0.824 13.829 13.829 1263 H GLY 162 H GLY 162 -0.479 14.449 14.449 1264 1HA GLY 162 2HA GLY 162 -1.392 11.650 11.650 1265 2HA GLY 162 1HA GLY 162 0.139 12.068 12.068 1266 H CYS 163 H CYS 163 -2.405 13.950 13.950 1267 HA CYS 163 HA CYS 163 -2.537 12.363 12.363 1268 1HB CYS 163 2HB CYS 163 -1.847 14.853 14.853 1269 2HB CYS 163 1HB CYS 163 -3.589 15.125 15.125 1270 H GLN 164 H GLN 164 -4.699 14.197 14.197 1271 HA GLN 164 HA GLN 164 -7.090 13.355 13.355 1272 1HB GLN 164 2HB GLN 164 -6.449 14.005 14.005 1273 2HB GLN 164 1HB GLN 164 -7.985 13.233 13.233 1274 1HG GLN 164 2HG GLN 164 -8.588 15.025 15.025 1275 2HG GLN 164 1HG GLN 164 -7.087 15.846 15.846 1276 1HE2 GLN 164 2HE2 GLN 164 -8.439 16.633 16.633 1277 2HE2 GLN 164 1HE2 GLN 164 -7.142 15.654 15.654 1278 H LEU 165 H LEU 165 -4.790 11.981 11.981 1279 HA LEU 165 HA LEU 165 -5.909 9.347 9.347 1280 1HB LEU 165 2HB LEU 165 -3.192 10.651 10.651 1281 2HB LEU 165 1HB LEU 165 -3.317 8.918 8.918 1282 HG LEU 165 HG LEU 165 -3.446 10.326 10.326 1283 1HD1 LEU 165 1HD1 LEU 165 -4.024 7.914 7.914 1284 2HD1 LEU 165 3HD1 LEU 165 -5.663 8.307 8.307 1285 3HD1 LEU 165 2HD1 LEU 165 -5.051 8.791 8.791 1286 1HD2 LEU 165 1HD2 LEU 165 -5.101 11.987 11.987 1287 2HD2 LEU 165 3HD2 LEU 165 -5.707 11.122 11.122 1288 3HD2 LEU 165 2HD2 LEU 165 -6.305 10.721 10.721 1289 H LEU 166 H LEU 166 -3.214 10.510 10.510 1290 HA LEU 166 HA LEU 166 -3.231 7.983 7.983 1291 1HB LEU 166 2HB LEU 166 -2.083 10.576 10.576 1292 2HB LEU 166 1HB LEU 166 -2.624 9.812 9.812 1293 HG LEU 166 HG LEU 166 -0.333 9.189 9.189 1294 1HD1 LEU 166 1HD1 LEU 166 -1.780 7.215 7.215 1295 2HD1 LEU 166 3HD1 LEU 166 -1.975 6.771 6.771 1296 3HD1 LEU 166 2HD1 LEU 166 -0.402 6.725 6.725 1297 1HD2 LEU 166 3HD2 LEU 166 -1.310 8.334 8.334 1298 2HD2 LEU 166 2HD2 LEU 166 -0.211 9.647 9.647 1299 3HD2 LEU 166 1HD2 LEU 166 0.298 7.993 7.993 1300 H GLY 167 H GLY 167 -4.976 10.845 10.845 1301 1HA GLY 167 2HA GLY 167 -6.169 9.807 9.807 1302 2HA GLY 167 1HA GLY 167 -6.946 10.977 10.977 1303 H THR 168 H THR 168 -7.063 9.071 9.071 1304 HA THR 168 HA THR 168 -9.496 7.571 7.571 1305 HB THR 168 HB THR 168 -8.481 8.549 8.549 1306 HG1 THR 168 HG1 THR 168 -9.827 9.459 9.459 1307 1HG2 THR 168 3HG2 THR 168 -10.160 6.479 6.479 1308 2HG2 THR 168 2HG2 THR 168 -11.318 7.532 7.532 1309 3HG2 THR 168 1HG2 THR 168 -10.712 7.911 7.911 1310 H TYR 169 H TYR 169 -6.399 7.199 7.199 1311 HA TYR 169 HA TYR 169 -6.323 4.492 4.492 1312 1HB TYR 169 2HB TYR 169 -4.482 5.898 5.898 1313 2HB TYR 169 1HB TYR 169 -4.333 6.431 6.431 1314 HD1 TYR 169 HD1 TYR 169 -3.072 5.115 5.115 1315 HD2 TYR 169 HD2 TYR 169 -3.352 3.865 3.865 1316 HE1 TYR 169 HE1 TYR 169 -1.099 3.631 3.631 1317 HE2 TYR 169 HE2 TYR 169 -1.396 2.414 2.414 1318 HH TYR 169 HH TYR 169 0.651 2.873 2.873 1319 H LYS 170 H LYS 170 -5.681 6.099 6.099 1320 HA LYS 170 HA LYS 170 -5.249 3.700 3.700 1321 1HB LYS 170 2HB LYS 170 -5.792 5.014 5.014 1322 2HB LYS 170 1HB LYS 170 -4.845 5.974 5.974 1323 1HG LYS 170 2HG LYS 170 -7.068 6.906 6.906 1324 2HG LYS 170 1HG LYS 170 -7.812 6.240 6.240 1325 1HD LYS 170 2HD LYS 170 -5.396 8.131 8.131 1326 2HD LYS 170 1HD LYS 170 -7.032 8.678 8.678 1327 1HE LYS 170 2HE LYS 170 -5.793 6.559 6.559 1328 2HE LYS 170 1HE LYS 170 -5.545 8.263 8.263 1329 1HZ LYS 170 1HZ LYS 170 -8.274 7.871 7.871 1330 2HZ LYS 170 3HZ LYS 170 -7.810 6.727 6.727 1331 3HZ LYS 170 2HZ LYS 170 -7.517 8.373 8.373 1332 H GLN 171 H GLN 171 -8.353 5.174 5.174 1333 HA GLN 171 HA GLN 171 -9.877 3.230 3.230 1334 1HB GLN 171 2HB GLN 171 -10.734 5.058 5.058 1335 2HB GLN 171 1HB GLN 171 -11.846 4.054 4.054 1336 1HG GLN 171 2HG GLN 171 -11.030 5.277 5.277 1337 2HG GLN 171 1HG GLN 171 -10.206 6.396 6.396 1338 1HE2 GLN 171 2HE2 GLN 171 -13.840 6.937 6.937 1339 2HE2 GLN 171 1HE2 GLN 171 -12.731 5.841 5.841 1340 H VAL 172 H VAL 172 -8.693 3.098 3.098 1341 HA VAL 172 HA VAL 172 -10.415 0.841 0.841 1342 HB VAL 172 HB VAL 172 -9.158 1.228 1.228 1343 1HG1 VAL 172 2HG1 VAL 172 -11.340 2.389 2.389 1344 2HG1 VAL 172 1HG1 VAL 172 -10.425 3.707 3.707 1345 3HG1 VAL 172 3HG1 VAL 172 -10.276 3.356 3.356 1346 1HG2 VAL 172 2HG2 VAL 172 -7.957 3.475 3.475 1347 2HG2 VAL 172 1HG2 VAL 172 -7.093 2.045 2.045 1348 3HG2 VAL 172 3HG2 VAL 172 -7.843 3.130 3.130 1349 H ILE 173 H ILE 173 -7.028 1.614 1.614 1350 HA ILE 173 HA ILE 173 -5.903 -0.918 -0.918 1351 HB ILE 173 HB ILE 173 -5.026 1.218 1.218 1352 1HG1 ILE 173 2HG1 ILE 173 -5.090 1.971 1.971 1353 2HG1 ILE 173 1HG1 ILE 173 -3.487 1.954 1.954 1354 1HG2 ILE 173 2HG2 ILE 173 -3.539 -1.175 -1.175 1355 2HG2 ILE 173 1HG2 ILE 173 -2.785 0.107 0.107 1356 3HG2 ILE 173 3HG2 ILE 173 -4.004 -0.941 -0.941 1357 1HD1 ILE 173 3HD1 ILE 173 -4.649 -0.237 -0.237 1358 2HD1 ILE 173 2HD1 ILE 173 -3.581 1.042 1.042 1359 3HD1 ILE 173 1HD1 ILE 173 -3.000 -0.158 -0.158 1360 H SER 174 H SER 174 -7.113 0.467 0.467 1361 HA SER 174 HA SER 174 -6.744 -1.663 -1.663 1362 1HB SER 174 2HB SER 174 -8.806 -0.687 -0.687 1363 2HB SER 174 1HB SER 174 -7.454 0.436 0.436 1364 HG SER 174 HG SER 174 -8.717 1.448 1.448 1365 H VAL 175 H VAL 175 -8.855 -1.602 -1.602 1366 HA VAL 175 HA VAL 175 -10.382 -3.922 -3.922 1367 HB VAL 175 HB VAL 175 -11.833 -2.038 -2.038 1368 1HG1 VAL 175 2HG1 VAL 175 -10.700 -2.200 -2.200 1369 2HG1 VAL 175 1HG1 VAL 175 -12.220 -1.409 -1.409 1370 3HG1 VAL 175 3HG1 VAL 175 -10.735 -0.885 -0.885 1371 1HG2 VAL 175 3HG2 VAL 175 -12.096 -4.470 -4.470 1372 2HG2 VAL 175 2HG2 VAL 175 -12.733 -4.290 -4.290 1373 3HG2 VAL 175 1HG2 VAL 175 -13.392 -3.319 -3.319 1374 H VAL 176 H VAL 176 -7.868 -2.964 -2.964 1375 HA VAL 176 HA VAL 176 -8.400 -5.424 -5.424 1376 HB VAL 176 HB VAL 176 -6.611 -4.899 -4.899 1377 1HG1 VAL 176 2HG1 VAL 176 -8.292 -2.466 -2.466 1378 2HG1 VAL 176 1HG1 VAL 176 -7.401 -2.672 -2.672 1379 3HG1 VAL 176 3HG1 VAL 176 -8.693 -3.777 -3.777 1380 1HG2 VAL 176 1HG2 VAL 176 -6.203 -2.683 -2.683 1381 2HG2 VAL 176 3HG2 VAL 176 -5.032 -3.946 -3.946 1382 3HG2 VAL 176 2HG2 VAL 176 -5.329 -2.742 -2.742 1383 H VAL 177 H VAL 177 -6.288 -4.044 -4.044 1384 HA VAL 177 HA VAL 177 -4.361 -6.193 -6.193 1385 HB VAL 177 HB VAL 177 -4.211 -3.648 -3.648 1386 1HG1 VAL 177 3HG1 VAL 177 -6.198 -3.526 -3.526 1387 2HG1 VAL 177 2HG1 VAL 177 -5.434 -4.581 -4.581 1388 3HG1 VAL 177 1HG1 VAL 177 -4.765 -2.996 -2.996 1389 1HG2 VAL 177 2HG2 VAL 177 -3.100 -5.661 -5.661 1390 2HG2 VAL 177 1HG2 VAL 177 -2.351 -5.162 -5.162 1391 3HG2 VAL 177 3HG2 VAL 177 -2.541 -4.014 -4.014 1392 H GLN 178 H GLN 178 -7.476 -5.593 -5.593 1393 HA GLN 178 HA GLN 178 -7.598 -7.777 -7.777 1394 1HB GLN 178 2HB GLN 178 -9.357 -5.347 -5.347 1395 2HB GLN 178 1HB GLN 178 -9.965 -6.679 -6.679 1396 1HG GLN 178 2HG GLN 178 -7.313 -5.379 -5.379 1397 2HG GLN 178 1HG GLN 178 -8.832 -4.669 -4.669 1398 1HE2 GLN 178 2HE2 GLN 178 -7.527 -7.884 -7.884 1399 2HE2 GLN 178 1HE2 GLN 178 -6.550 -7.104 -7.104 1400 H ALA 179 H ALA 179 -7.593 -7.576 -7.576 1401 HA ALA 179 HA ALA 179 -10.134 -9.082 -9.082 1402 1HB ALA 179 1HB ALA 179 -8.177 -7.840 -7.840 1403 2HB ALA 179 3HB ALA 179 -9.676 -8.634 -8.634 1404 3HB ALA 179 2HB ALA 179 -9.705 -7.139 -7.139 1405 H PHE 180 H PHE 180 -6.702 -9.052 -9.052 1406 HA PHE 180 HA PHE 180 -6.633 -11.990 -11.990 1407 1HB PHE 180 2HB PHE 180 -4.879 -11.634 -11.634 1408 2HB PHE 180 1HB PHE 180 -6.513 -11.186 -11.186 1409 HD1 PHE 180 HD1 PHE 180 -3.598 -9.458 -9.458 1410 HD2 PHE 180 HD2 PHE 180 -6.680 -9.192 -9.192 1411 HE1 PHE 180 HE1 PHE 180 -2.869 -7.220 -7.220 1412 HE2 PHE 180 HE2 PHE 180 -5.944 -6.966 -6.966 1413 HZ PHE 180 HZ PHE 180 -3.974 -5.991 -5.991
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