NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
1256 | 1af8 | cing | recoord | dress | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 3H MET 1 -0.852 6.772 9.662 2 2H MET 1 2H MET 1 -0.226 5.202 9.491 3 3H MET 1 1H MET 1 0.020 6.064 10.934 4 HA MET 1 HA MET 1 1.576 7.477 10.008 5 1HB MET 1 2HB MET 1 2.061 4.841 9.979 6 2HB MET 1 1HB MET 1 2.192 5.150 8.246 7 1HG MET 1 2HG MET 1 3.598 6.987 10.153 8 2HG MET 1 1HG MET 1 4.311 5.412 9.803 9 1HE MET 1 3HE MET 1 6.000 5.276 8.493 10 2HE MET 1 2HE MET 1 6.477 6.246 7.102 11 3HE MET 1 1HE MET 1 6.512 6.956 8.714 12 H ALA 2 H ALA 2 -0.316 5.802 7.539 13 HA ALA 2 HA ALA 2 -0.059 8.160 5.803 14 1HB ALA 2 3HB ALA 2 0.572 5.320 4.985 15 2HB ALA 2 2HB ALA 2 0.221 6.602 3.826 16 3HB ALA 2 1HB ALA 2 1.626 6.730 4.884 17 H THR 3 H THR 3 -1.773 8.426 4.337 18 HA THR 3 HA THR 3 -3.950 6.502 4.284 19 HB THR 3 HB THR 3 -4.777 9.233 5.152 20 HG1 THR 3 HG1 THR 3 -4.388 8.763 7.261 21 1HG2 THR 3 2HG2 THR 3 -5.767 6.397 5.404 22 2HG2 THR 3 1HG2 THR 3 -6.429 7.684 6.412 23 3HG2 THR 3 3HG2 THR 3 -6.566 7.780 4.657 24 H LEU 4 H LEU 4 -2.165 7.655 2.347 25 HA LEU 4 HA LEU 4 -3.699 9.630 0.862 26 1HB LEU 4 2HB LEU 4 -1.095 8.197 0.323 27 2HB LEU 4 1HB LEU 4 -1.849 9.278 -0.850 28 HG LEU 4 HG LEU 4 -1.458 10.221 1.972 29 1HD1 LEU 4 2HD1 LEU 4 0.695 9.218 0.640 30 2HD1 LEU 4 1HD1 LEU 4 0.688 10.874 0.035 31 3HD1 LEU 4 3HD1 LEU 4 0.789 10.569 1.768 32 1HD2 LEU 4 1HD2 LEU 4 -2.667 11.356 -0.136 33 2HD2 LEU 4 3HD2 LEU 4 -1.776 12.312 1.048 34 3HD2 LEU 4 2HD2 LEU 4 -1.014 11.867 -0.479 35 H LEU 5 H LEU 5 -2.354 6.437 -0.013 36 HA LEU 5 HA LEU 5 -4.448 6.127 -2.029 37 1HB LEU 5 2HB LEU 5 -1.797 5.377 -1.976 38 2HB LEU 5 1HB LEU 5 -2.619 3.862 -1.610 39 HG LEU 5 HG LEU 5 -4.073 4.204 -3.607 40 1HD1 LEU 5 1HD1 LEU 5 -2.361 6.677 -3.838 41 2HD1 LEU 5 3HD1 LEU 5 -3.110 5.957 -5.262 42 3HD1 LEU 5 2HD1 LEU 5 -4.116 6.542 -3.939 43 1HD2 LEU 5 1HD2 LEU 5 -1.664 3.101 -3.555 44 2HD2 LEU 5 3HD2 LEU 5 -2.498 3.346 -5.090 45 3HD2 LEU 5 2HD2 LEU 5 -1.247 4.477 -4.576 46 H THR 6 H THR 6 -5.459 3.883 -2.190 47 HA THR 6 HA THR 6 -6.088 2.843 0.505 48 HB THR 6 HB THR 6 -8.444 2.439 -0.601 49 HG1 THR 6 HG1 THR 6 -8.175 3.242 -2.586 50 1HG2 THR 6 1HG2 THR 6 -7.807 3.898 1.386 51 2HG2 THR 6 3HG2 THR 6 -7.678 5.238 0.247 52 3HG2 THR 6 2HG2 THR 6 -9.225 4.424 0.481 53 H THR 7 H THR 7 -7.082 0.697 0.479 54 HA THR 7 HA THR 7 -5.563 -1.182 -0.963 55 HB THR 7 HB THR 7 -8.274 -1.630 0.311 56 HG1 THR 7 HG1 THR 7 -5.700 -1.902 1.459 57 1HG2 THR 7 2HG2 THR 7 -5.998 -3.410 -0.542 58 2HG2 THR 7 1HG2 THR 7 -7.128 -3.916 0.713 59 3HG2 THR 7 3HG2 THR 7 -7.716 -3.563 -0.912 60 H ASP 8 H ASP 8 -8.862 0.035 -1.457 61 HA ASP 8 HA ASP 8 -9.535 -1.594 -3.658 62 1HB ASP 8 2HB ASP 8 -11.163 0.222 -4.224 63 2HB ASP 8 1HB ASP 8 -11.251 -0.296 -2.540 64 H ASP 9 H ASP 9 -7.589 1.292 -3.362 65 HA ASP 9 HA ASP 9 -7.519 2.065 -6.079 66 1HB ASP 9 2HB ASP 9 -6.593 3.220 -3.864 67 2HB ASP 9 1HB ASP 9 -5.100 2.434 -4.376 68 H LEU 10 H LEU 10 -5.333 -0.008 -4.147 69 HA LEU 10 HA LEU 10 -3.564 -0.589 -6.273 70 1HB LEU 10 2HB LEU 10 -2.514 -2.077 -4.846 71 2HB LEU 10 1HB LEU 10 -3.356 -1.067 -3.682 72 HG LEU 10 HG LEU 10 -5.273 -2.916 -4.070 73 1HD1 LEU 10 3HD1 LEU 10 -2.679 -4.151 -4.926 74 2HD1 LEU 10 2HD1 LEU 10 -3.855 -5.137 -4.057 75 3HD1 LEU 10 1HD1 LEU 10 -4.296 -4.384 -5.590 76 1HD2 LEU 10 1HD2 LEU 10 -4.213 -2.305 -1.910 77 2HD2 LEU 10 3HD2 LEU 10 -4.435 -4.050 -2.061 78 3HD2 LEU 10 2HD2 LEU 10 -2.840 -3.336 -2.310 79 H ARG 11 H ARG 11 -6.632 -1.956 -5.321 80 HA ARG 11 HA ARG 11 -6.589 -4.347 -6.794 81 1HB ARG 11 2HB ARG 11 -8.394 -3.186 -5.138 82 2HB ARG 11 1HB ARG 11 -9.166 -2.886 -6.693 83 1HG ARG 11 2HG ARG 11 -8.422 -5.479 -7.023 84 2HG ARG 11 1HG ARG 11 -8.696 -5.451 -5.282 85 1HD ARG 11 2HD ARG 11 -10.796 -6.014 -6.276 86 2HD ARG 11 1HD ARG 11 -10.924 -4.334 -5.764 87 HE ARG 11 HE ARG 11 -10.052 -4.619 -8.502 88 1HH1 ARG 11 2HH1 ARG 11 -12.166 -2.889 -6.725 89 2HH1 ARG 11 1HH1 ARG 11 -13.549 -3.078 -7.751 90 1HH2 ARG 11 1HH2 ARG 11 -12.110 -5.572 -9.682 91 2HH2 ARG 11 2HH2 ARG 11 -13.516 -4.596 -9.425 92 H ARG 12 H ARG 12 -7.854 -1.145 -7.711 93 HA ARG 12 HA ARG 12 -8.645 -1.825 -10.322 94 1HB ARG 12 2HB ARG 12 -8.034 0.712 -8.890 95 2HB ARG 12 1HB ARG 12 -8.065 0.767 -10.654 96 1HG ARG 12 2HG ARG 12 -10.312 -0.537 -10.418 97 2HG ARG 12 1HG ARG 12 -10.285 0.043 -8.753 98 1HD ARG 12 2HD ARG 12 -11.519 1.654 -10.043 99 2HD ARG 12 1HD ARG 12 -9.959 2.375 -9.661 100 HE ARG 12 HE ARG 12 -9.338 1.517 -12.023 101 1HH1 ARG 12 2HH1 ARG 12 -12.036 0.578 -12.812 102 2HH1 ARG 12 1HH1 ARG 12 -12.725 1.964 -13.589 103 1HH2 ARG 12 1HH2 ARG 12 -10.423 4.187 -12.256 104 2HH2 ARG 12 2HH2 ARG 12 -11.812 4.007 -13.274 105 H ALA 13 H ALA 13 -5.565 -0.547 -9.101 106 HA ALA 13 HA ALA 13 -4.283 -0.198 -11.580 107 1HB ALA 13 1HB ALA 13 -3.521 0.497 -9.191 108 2HB ALA 13 3HB ALA 13 -2.784 -1.104 -9.140 109 3HB ALA 13 2HB ALA 13 -2.295 0.052 -10.379 110 H LEU 14 H LEU 14 -4.827 -3.056 -9.636 111 HA LEU 14 HA LEU 14 -2.987 -4.683 -11.191 112 1HB LEU 14 2HB LEU 14 -4.714 -5.098 -8.800 113 2HB LEU 14 1HB LEU 14 -4.308 -6.515 -9.770 114 HG LEU 14 HG LEU 14 -2.057 -4.669 -9.177 115 1HD1 LEU 14 3HD1 LEU 14 -3.697 -5.976 -7.071 116 2HD1 LEU 14 2HD1 LEU 14 -1.950 -6.172 -6.927 117 3HD1 LEU 14 1HD1 LEU 14 -2.654 -4.557 -6.968 118 1HD2 LEU 14 1HD2 LEU 14 -1.887 -6.851 -10.420 119 2HD2 LEU 14 3HD2 LEU 14 -0.849 -6.769 -8.995 120 3HD2 LEU 14 2HD2 LEU 14 -2.359 -7.679 -8.935 121 H VAL 15 H VAL 15 -6.339 -3.810 -11.282 122 HA VAL 15 HA VAL 15 -7.260 -6.101 -12.742 123 HB VAL 15 HB VAL 15 -8.495 -3.339 -12.595 124 1HG1 VAL 15 2HG1 VAL 15 -9.521 -6.071 -13.391 125 2HG1 VAL 15 1HG1 VAL 15 -10.599 -4.743 -12.964 126 3HG1 VAL 15 3HG1 VAL 15 -9.520 -4.592 -14.351 127 1HG2 VAL 15 2HG2 VAL 15 -8.063 -5.246 -10.516 128 2HG2 VAL 15 1HG2 VAL 15 -9.037 -3.779 -10.450 129 3HG2 VAL 15 3HG2 VAL 15 -9.777 -5.307 -10.923 130 H GLU 16 H GLU 16 -5.760 -3.055 -13.565 131 HA GLU 16 HA GLU 16 -6.494 -2.790 -16.247 132 1HB GLU 16 2HB GLU 16 -4.100 -1.965 -14.655 133 2HB GLU 16 1HB GLU 16 -4.055 -1.801 -16.410 134 1HG GLU 16 2HG GLU 16 -6.372 -0.657 -16.143 135 2HG GLU 16 1HG GLU 16 -5.924 -0.485 -14.446 136 H CYS 17 H CYS 17 -4.184 -4.934 -14.723 137 HA CYS 17 HA CYS 17 -2.956 -5.775 -17.199 138 1HB CYS 17 2HB CYS 17 -2.867 -6.948 -14.409 139 2HB CYS 17 1HB CYS 17 -1.922 -7.546 -15.773 140 HG CYS 17 HG CYS 17 -1.341 -4.993 -14.190 141 H ALA 18 H ALA 18 -5.393 -7.039 -14.967 142 HA ALA 18 HA ALA 18 -6.325 -8.845 -17.103 143 1HB ALA 18 1HB ALA 18 -4.901 -10.080 -15.386 144 2HB ALA 18 3HB ALA 18 -6.169 -9.718 -14.215 145 3HB ALA 18 2HB ALA 18 -6.531 -10.706 -15.631 146 H GLY 19 H GLY 19 -8.026 -7.378 -17.453 147 1HA GLY 19 2HA GLY 19 -9.752 -6.436 -15.393 148 2HA GLY 19 1HA GLY 19 -10.102 -6.427 -17.119 149 H GLU 20 H GLU 20 -10.229 -8.935 -17.898 150 HA GLU 20 HA GLU 20 -12.599 -9.940 -16.554 151 1HB GLU 20 2HB GLU 20 -11.128 -10.660 -19.076 152 2HB GLU 20 1HB GLU 20 -12.349 -11.746 -18.410 153 1HG GLU 20 2HG GLU 20 -12.835 -8.812 -18.990 154 2HG GLU 20 1HG GLU 20 -13.262 -10.118 -20.095 155 H THR 21 H THR 21 -12.766 -11.752 -15.343 156 HA THR 21 HA THR 21 -10.944 -13.892 -15.271 157 HB THR 21 HB THR 21 -9.321 -12.406 -14.296 158 HG1 THR 21 HG1 THR 21 -9.047 -14.116 -13.108 159 1HG2 THR 21 1HG2 THR 21 -11.078 -10.705 -13.590 160 2HG2 THR 21 3HG2 THR 21 -11.347 -11.706 -12.163 161 3HG2 THR 21 2HG2 THR 21 -9.769 -10.967 -12.438 162 H ASP 22 H ASP 22 -12.245 -15.474 -14.674 163 HA ASP 22 HA ASP 22 -14.429 -14.907 -12.783 164 1HB ASP 22 2HB ASP 22 -13.950 -17.187 -14.710 165 2HB ASP 22 1HB ASP 22 -15.259 -17.178 -13.527 166 H GLY 23 H GLY 23 -11.627 -15.214 -11.949 167 1HA GLY 23 2HA GLY 23 -12.053 -17.359 -9.987 168 2HA GLY 23 1HA GLY 23 -10.578 -17.398 -10.952 169 H THR 24 H THR 24 -12.400 -15.548 -8.575 170 HA THR 24 HA THR 24 -9.973 -14.658 -7.306 171 HB THR 24 HB THR 24 -11.724 -12.370 -8.034 172 HG1 THR 24 HG1 THR 24 -11.500 -13.188 -10.045 173 1HG2 THR 24 3HG2 THR 24 -9.690 -12.264 -6.542 174 2HG2 THR 24 2HG2 THR 24 -8.713 -12.670 -7.953 175 3HG2 THR 24 1HG2 THR 24 -9.639 -11.169 -7.923 176 H ASP 25 H ASP 25 -10.335 -14.567 -5.210 177 HA ASP 25 HA ASP 25 -13.075 -14.739 -4.220 178 1HB ASP 25 2HB ASP 25 -10.369 -15.323 -3.100 179 2HB ASP 25 1HB ASP 25 -11.665 -14.917 -1.973 180 H LEU 26 H LEU 26 -13.557 -12.514 -4.823 181 HA LEU 26 HA LEU 26 -12.290 -10.451 -3.158 182 1HB LEU 26 2HB LEU 26 -13.863 -10.463 -5.681 183 2HB LEU 26 1HB LEU 26 -14.101 -9.076 -4.623 184 HG LEU 26 HG LEU 26 -12.292 -8.666 -6.254 185 1HD1 LEU 26 3HD1 LEU 26 -12.037 -8.503 -3.366 186 2HD1 LEU 26 2HD1 LEU 26 -10.455 -8.660 -4.127 187 3HD1 LEU 26 1HD1 LEU 26 -11.533 -7.349 -4.599 188 1HD2 LEU 26 2HD2 LEU 26 -11.668 -11.241 -6.122 189 2HD2 LEU 26 1HD2 LEU 26 -10.436 -10.036 -6.503 190 3HD2 LEU 26 3HD2 LEU 26 -10.561 -10.683 -4.868 191 H SER 27 H SER 27 -13.877 -12.369 -1.807 192 HA SER 27 HA SER 27 -16.108 -10.656 -0.897 193 1HB SER 27 2HB SER 27 -16.675 -12.856 -2.233 194 2HB SER 27 1HB SER 27 -16.302 -13.638 -0.701 195 HG SER 27 HG SER 27 -18.273 -11.697 -1.288 196 H GLY 28 H GLY 28 -13.404 -10.811 0.110 197 1HA GLY 28 2HA GLY 28 -13.883 -10.934 2.870 198 2HA GLY 28 1HA GLY 28 -13.182 -12.475 2.386 199 H ASP 29 H ASP 29 -11.486 -11.556 0.334 200 HA ASP 29 HA ASP 29 -9.820 -9.400 1.059 201 1HB ASP 29 2HB ASP 29 -9.497 -11.254 2.953 202 2HB ASP 29 1HB ASP 29 -8.392 -11.923 1.752 203 H PHE 30 H PHE 30 -7.734 -9.445 -0.118 204 HA PHE 30 HA PHE 30 -7.532 -11.432 -2.252 205 1HB PHE 30 2HB PHE 30 -7.593 -9.846 -4.054 206 2HB PHE 30 1HB PHE 30 -9.048 -9.610 -3.095 207 HD1 PHE 30 HD2 PHE 30 -8.594 -7.883 -0.991 208 HD2 PHE 30 HD1 PHE 30 -6.526 -7.905 -4.757 209 HE1 PHE 30 HE2 PHE 30 -7.980 -5.511 -0.669 210 HE2 PHE 30 HE1 PHE 30 -5.914 -5.528 -4.433 211 HZ PHE 30 HZ PHE 30 -6.638 -4.329 -2.392 212 H LEU 31 H LEU 31 -5.965 -10.311 0.142 213 HA LEU 31 HA LEU 31 -3.499 -9.649 -1.340 214 1HB LEU 31 2HB LEU 31 -4.224 -8.916 1.502 215 2HB LEU 31 1HB LEU 31 -2.739 -8.469 0.658 216 HG LEU 31 HG LEU 31 -5.420 -7.797 -0.532 217 1HD1 LEU 31 2HD1 LEU 31 -4.173 -6.627 1.877 218 2HD1 LEU 31 1HD1 LEU 31 -4.631 -5.453 0.643 219 3HD1 LEU 31 3HD1 LEU 31 -5.844 -6.543 1.315 220 1HD2 LEU 31 2HD2 LEU 31 -2.581 -6.785 -0.753 221 2HD2 LEU 31 1HD2 LEU 31 -3.607 -7.451 -2.025 222 3HD2 LEU 31 3HD2 LEU 31 -3.949 -5.852 -1.363 223 H ASP 32 H ASP 32 -4.972 -11.758 1.018 224 HA ASP 32 HA ASP 32 -2.705 -12.849 2.251 225 1HB ASP 32 2HB ASP 32 -5.450 -13.895 1.652 226 2HB ASP 32 1HB ASP 32 -4.224 -14.991 2.288 227 H LEU 33 H LEU 33 -4.157 -13.459 -0.878 228 HA LEU 33 HA LEU 33 -1.744 -14.855 -1.740 229 1HB LEU 33 2HB LEU 33 -4.395 -16.174 -1.406 230 2HB LEU 33 1HB LEU 33 -3.476 -16.559 -2.861 231 HG LEU 33 HG LEU 33 -2.315 -16.690 -0.067 232 1HD1 LEU 33 1HD1 LEU 33 -4.138 -18.335 -0.329 233 2HD1 LEU 33 3HD1 LEU 33 -3.393 -18.923 -1.815 234 3HD1 LEU 33 2HD1 LEU 33 -2.568 -19.136 -0.272 235 1HD2 LEU 33 1HD2 LEU 33 -1.332 -17.161 -2.833 236 2HD2 LEU 33 3HD2 LEU 33 -0.448 -16.642 -1.398 237 3HD2 LEU 33 2HD2 LEU 33 -0.838 -18.347 -1.626 238 H ARG 34 H ARG 34 -1.613 -12.832 -2.917 239 HA ARG 34 HA ARG 34 -3.447 -12.736 -5.240 240 1HB ARG 34 2HB ARG 34 -3.209 -10.750 -3.476 241 2HB ARG 34 1HB ARG 34 -1.826 -10.347 -4.491 242 1HG ARG 34 2HG ARG 34 -4.341 -11.040 -5.917 243 2HG ARG 34 1HG ARG 34 -4.336 -9.510 -5.041 244 1HD ARG 34 2HD ARG 34 -2.266 -8.849 -6.210 245 2HD ARG 34 1HD ARG 34 -2.277 -10.373 -7.091 246 HE ARG 34 HE ARG 34 -3.968 -8.067 -7.598 247 1HH1 ARG 34 1HH2 ARG 34 -5.970 -10.195 -7.541 248 2HH1 ARG 34 2HH2 ARG 34 -5.894 -10.887 -9.126 249 1HH2 ARG 34 2HH1 ARG 34 -2.793 -9.520 -9.862 250 2HH2 ARG 34 1HH1 ARG 34 -4.095 -10.504 -10.441 251 H PHE 35 H PHE 35 -0.109 -11.927 -4.249 252 HA PHE 35 HA PHE 35 0.835 -12.030 -6.987 253 1HB PHE 35 2HB PHE 35 2.158 -11.600 -4.318 254 2HB PHE 35 1HB PHE 35 3.126 -11.915 -5.757 255 HD1 PHE 35 HD1 PHE 35 0.008 -9.917 -5.109 256 HD2 PHE 35 HD2 PHE 35 4.040 -9.926 -6.607 257 HE1 PHE 35 HE1 PHE 35 -0.226 -7.541 -5.768 258 HE2 PHE 35 HE2 PHE 35 3.793 -7.558 -7.253 259 HZ PHE 35 HZ PHE 35 1.675 -6.362 -6.840 260 H GLU 36 H GLU 36 0.747 -14.128 -4.178 261 HA GLU 36 HA GLU 36 2.548 -16.099 -5.267 262 1HB GLU 36 2HB GLU 36 0.770 -15.937 -2.860 263 2HB GLU 36 1HB GLU 36 1.395 -17.505 -3.370 264 1HG GLU 36 2HG GLU 36 3.693 -16.246 -3.490 265 2HG GLU 36 1HG GLU 36 2.905 -15.088 -2.419 266 H ASP 37 H ASP 37 -0.955 -15.669 -5.042 267 HA ASP 37 HA ASP 37 -1.778 -18.193 -5.958 268 1HB ASP 37 2HB ASP 37 -3.127 -16.042 -5.129 269 2HB ASP 37 1HB ASP 37 -3.294 -15.794 -6.867 270 H ILE 38 H ILE 38 -1.652 -15.190 -7.870 271 HA ILE 38 HA ILE 38 -1.612 -16.656 -10.362 272 HB ILE 38 HB ILE 38 -2.729 -14.441 -10.142 273 1HG1 ILE 38 2HG1 ILE 38 -0.385 -14.325 -12.057 274 2HG1 ILE 38 1HG1 ILE 38 -1.823 -15.307 -12.331 275 1HG2 ILE 38 1HG2 ILE 38 -0.214 -13.720 -8.958 276 2HG2 ILE 38 3HG2 ILE 38 -0.478 -12.703 -10.375 277 3HG2 ILE 38 2HG2 ILE 38 -1.682 -12.754 -9.089 278 1HD1 ILE 38 1HD1 ILE 38 -1.952 -12.330 -11.802 279 2HD1 ILE 38 3HD1 ILE 38 -1.844 -13.007 -13.427 280 3HD1 ILE 38 2HD1 ILE 38 -3.237 -13.376 -12.409 281 H GLY 39 H GLY 39 0.172 -16.270 -11.975 282 1HA GLY 39 2HA GLY 39 2.733 -16.757 -10.688 283 2HA GLY 39 1HA GLY 39 2.392 -16.859 -12.414 284 H TYR 40 H TYR 40 2.723 -14.501 -9.767 285 HA TYR 40 HA TYR 40 3.836 -12.580 -11.721 286 1HB TYR 40 2HB TYR 40 1.911 -12.207 -9.477 287 2HB TYR 40 1HB TYR 40 3.127 -10.954 -9.698 288 HD1 TYR 40 HD2 TYR 40 1.177 -13.101 -12.091 289 HD2 TYR 40 HD1 TYR 40 2.251 -9.136 -10.842 290 HE1 TYR 40 HE2 TYR 40 -0.114 -12.158 -13.985 291 HE2 TYR 40 HE1 TYR 40 0.959 -8.191 -12.735 292 HH TYR 40 HH TYR 40 0.106 -8.836 -14.882 293 H ASP 41 H ASP 41 5.882 -13.757 -11.226 294 HA ASP 41 HA ASP 41 7.019 -13.648 -8.623 295 1HB ASP 41 2HB ASP 41 9.202 -14.023 -9.851 296 2HB ASP 41 1HB ASP 41 7.960 -15.236 -10.152 297 H SER 42 H SER 42 8.913 -12.334 -8.062 298 HA SER 42 HA SER 42 8.350 -9.582 -8.311 299 1HB SER 42 2HB SER 42 10.878 -10.973 -7.407 300 2HB SER 42 1HB SER 42 10.574 -9.248 -7.234 301 HG SER 42 HG SER 42 10.003 -10.671 -5.402 302 H LEU 43 H LEU 43 10.009 -11.668 -10.481 303 HA LEU 43 HA LEU 43 11.644 -9.549 -11.626 304 1HB LEU 43 2HB LEU 43 11.303 -12.480 -12.149 305 2HB LEU 43 1HB LEU 43 12.056 -11.454 -13.370 306 HG LEU 43 HG LEU 43 13.012 -11.102 -10.576 307 1HD1 LEU 43 2HD1 LEU 43 12.726 -13.640 -11.090 308 2HD1 LEU 43 1HD1 LEU 43 14.073 -13.405 -12.203 309 3HD1 LEU 43 3HD1 LEU 43 14.283 -13.079 -10.482 310 1HD2 LEU 43 2HD2 LEU 43 13.824 -9.935 -12.734 311 2HD2 LEU 43 1HD2 LEU 43 15.060 -10.601 -11.667 312 3HD2 LEU 43 3HD2 LEU 43 14.591 -11.474 -13.125 313 H ALA 44 H ALA 44 8.532 -10.997 -12.175 314 HA ALA 44 HA ALA 44 8.349 -9.963 -14.900 315 1HB ALA 44 3HB ALA 44 6.599 -11.673 -13.165 316 2HB ALA 44 2HB ALA 44 5.918 -10.872 -14.581 317 3HB ALA 44 1HB ALA 44 7.251 -12.010 -14.769 318 H LEU 45 H LEU 45 6.651 -9.529 -11.806 319 HA LEU 45 HA LEU 45 5.043 -7.369 -12.727 320 1HB LEU 45 2HB LEU 45 4.355 -7.122 -10.415 321 2HB LEU 45 1HB LEU 45 4.419 -8.834 -10.818 322 HG LEU 45 HG LEU 45 6.943 -8.503 -9.901 323 1HD1 LEU 45 3HD1 LEU 45 6.019 -6.039 -9.373 324 2HD1 LEU 45 2HD1 LEU 45 5.446 -6.856 -7.924 325 3HD1 LEU 45 1HD1 LEU 45 7.165 -6.851 -8.306 326 1HD2 LEU 45 2HD2 LEU 45 4.363 -9.354 -8.726 327 2HD2 LEU 45 1HD2 LEU 45 5.909 -10.198 -8.774 328 3HD2 LEU 45 3HD2 LEU 45 5.614 -8.975 -7.542 329 H MET 46 H MET 46 8.341 -7.452 -12.009 330 HA MET 46 HA MET 46 8.768 -5.078 -10.596 331 1HB MET 46 2HB MET 46 10.479 -6.866 -11.259 332 2HB MET 46 1HB MET 46 10.583 -6.025 -12.805 333 1HG MET 46 2HG MET 46 11.552 -4.141 -11.876 334 2HG MET 46 1HG MET 46 10.794 -4.399 -10.305 335 1HE MET 46 3HE MET 46 13.204 -5.084 -12.824 336 2HE MET 46 2HE MET 46 14.682 -5.597 -12.014 337 3HE MET 46 1HE MET 46 13.515 -6.803 -12.548 338 H GLU 47 H GLU 47 9.208 -5.462 -14.121 339 HA GLU 47 HA GLU 47 9.307 -2.707 -14.677 340 1HB GLU 47 2HB GLU 47 8.696 -5.119 -16.372 341 2HB GLU 47 1HB GLU 47 8.633 -3.488 -17.043 342 1HG GLU 47 2HG GLU 47 11.040 -4.249 -15.443 343 2HG GLU 47 1HG GLU 47 10.891 -4.901 -17.076 344 H THR 48 H THR 48 6.604 -4.939 -14.445 345 HA THR 48 HA THR 48 4.586 -3.439 -15.665 346 HB THR 48 HB THR 48 4.288 -5.166 -13.195 347 HG1 THR 48 HG1 THR 48 5.268 -6.400 -14.711 348 1HG2 THR 48 3HG2 THR 48 2.366 -4.404 -15.412 349 2HG2 THR 48 2HG2 THR 48 2.017 -5.541 -14.108 350 3HG2 THR 48 1HG2 THR 48 2.299 -3.838 -13.742 351 H ALA 49 H ALA 49 5.834 -3.305 -12.368 352 HA ALA 49 HA ALA 49 3.963 -1.284 -11.518 353 1HB ALA 49 2HB ALA 49 6.344 -2.628 -10.284 354 2HB ALA 49 1HB ALA 49 5.690 -1.160 -9.557 355 3HB ALA 49 3HB ALA 49 4.671 -2.591 -9.726 356 H ALA 50 H ALA 50 7.175 -1.372 -12.896 357 HA ALA 50 HA ALA 50 8.093 1.183 -12.170 358 1HB ALA 50 2HB ALA 50 8.622 -0.396 -14.699 359 2HB ALA 50 1HB ALA 50 9.533 1.024 -14.184 360 3HB ALA 50 3HB ALA 50 9.574 -0.450 -13.215 361 H ARG 51 H ARG 51 5.939 0.108 -14.733 362 HA ARG 51 HA ARG 51 5.768 2.786 -15.887 363 1HB ARG 51 2HB ARG 51 4.529 0.126 -16.580 364 2HB ARG 51 1HB ARG 51 3.997 1.625 -17.342 365 1HG ARG 51 2HG ARG 51 6.249 2.066 -18.156 366 2HG ARG 51 1HG ARG 51 6.869 0.657 -17.294 367 1HD ARG 51 2HD ARG 51 5.831 -0.852 -18.742 368 2HD ARG 51 1HD ARG 51 4.627 0.322 -19.262 369 HE ARG 51 HE ARG 51 6.675 1.461 -20.367 370 1HH1 ARG 51 1HH2 ARG 51 8.718 -0.567 -19.855 371 2HH1 ARG 51 2HH2 ARG 51 8.607 -1.628 -21.219 372 1HH2 ARG 51 2HH1 ARG 51 5.460 -0.516 -22.163 373 2HH2 ARG 51 1HH1 ARG 51 6.762 -1.600 -22.526 374 H LEU 52 H LEU 52 3.934 0.627 -13.823 375 HA LEU 52 HA LEU 52 1.434 1.912 -13.893 376 1HB LEU 52 2HB LEU 52 1.991 -0.327 -12.824 377 2HB LEU 52 1HB LEU 52 2.624 0.587 -11.454 378 HG LEU 52 HG LEU 52 0.265 1.821 -11.667 379 1HD1 LEU 52 2HD1 LEU 52 0.013 -0.728 -13.184 380 2HD1 LEU 52 1HD1 LEU 52 -1.302 -0.335 -12.076 381 3HD1 LEU 52 3HD1 LEU 52 -0.875 0.785 -13.371 382 1HD2 LEU 52 1HD2 LEU 52 1.325 0.372 -9.783 383 2HD2 LEU 52 3HD2 LEU 52 -0.431 0.542 -9.809 384 3HD2 LEU 52 2HD2 LEU 52 0.322 -0.928 -10.427 385 H GLU 53 H GLU 53 4.404 2.720 -12.236 386 HA GLU 53 HA GLU 53 3.117 4.690 -10.521 387 1HB GLU 53 2HB GLU 53 5.439 5.168 -9.765 388 2HB GLU 53 1HB GLU 53 5.001 3.466 -9.602 389 1HG GLU 53 2HG GLU 53 6.444 2.795 -11.256 390 2HG GLU 53 1HG GLU 53 6.235 4.279 -12.185 391 H SER 54 H SER 54 4.635 4.588 -13.634 392 HA SER 54 HA SER 54 5.678 7.150 -13.901 393 1HB SER 54 2HB SER 54 5.707 5.219 -15.593 394 2HB SER 54 1HB SER 54 4.124 5.799 -16.102 395 HG SER 54 HG SER 54 5.048 7.772 -16.610 396 H ARG 55 H ARG 55 2.339 6.115 -13.843 397 HA ARG 55 HA ARG 55 1.381 8.708 -14.782 398 1HB ARG 55 2HB ARG 55 -0.880 7.717 -14.440 399 2HB ARG 55 1HB ARG 55 0.136 6.767 -15.524 400 1HG ARG 55 2HG ARG 55 0.599 5.149 -13.833 401 2HG ARG 55 1HG ARG 55 -0.052 6.186 -12.563 402 1HD ARG 55 2HD ARG 55 -2.228 6.040 -14.122 403 2HD ARG 55 1HD ARG 55 -1.484 4.506 -14.564 404 HE ARG 55 HE ARG 55 -1.454 4.663 -11.773 405 1HH1 ARG 55 1HH2 ARG 55 -2.976 2.869 -13.985 406 2HH1 ARG 55 2HH2 ARG 55 -4.539 2.824 -13.241 407 1HH2 ARG 55 2HH1 ARG 55 -3.821 5.339 -10.965 408 2HH2 ARG 55 1HH1 ARG 55 -5.017 4.223 -11.531 409 H TYR 56 H TYR 56 1.834 6.962 -11.787 410 HA TYR 56 HA TYR 56 0.129 8.451 -10.111 411 1HB TYR 56 2HB TYR 56 2.539 6.748 -9.702 412 2HB TYR 56 1HB TYR 56 2.086 7.836 -8.390 413 HD1 TYR 56 HD1 TYR 56 0.600 5.305 -10.729 414 HD2 TYR 56 HD2 TYR 56 0.420 7.203 -6.880 415 HE1 TYR 56 HE1 TYR 56 -1.201 3.742 -10.039 416 HE2 TYR 56 HE2 TYR 56 -1.379 5.644 -6.194 417 HH TYR 56 HH TYR 56 -2.118 2.831 -7.879 418 H GLY 57 H GLY 57 3.505 8.978 -11.075 419 1HA GLY 57 2HA GLY 57 4.423 11.164 -11.393 420 2HA GLY 57 1HA GLY 57 3.229 11.798 -10.266 421 H VAL 58 H VAL 58 3.811 9.442 -8.437 422 HA VAL 58 HA VAL 58 5.613 10.718 -6.706 423 HB VAL 58 HB VAL 58 3.822 8.884 -6.261 424 1HG1 VAL 58 3HG1 VAL 58 5.312 7.277 -7.799 425 2HG1 VAL 58 2HG1 VAL 58 6.077 6.939 -6.245 426 3HG1 VAL 58 1HG1 VAL 58 4.348 6.660 -6.456 427 1HG2 VAL 58 2HG2 VAL 58 5.817 9.946 -4.759 428 2HG2 VAL 58 1HG2 VAL 58 4.627 8.799 -4.143 429 3HG2 VAL 58 3HG2 VAL 58 6.215 8.231 -4.660 430 H SER 59 H SER 59 7.611 9.295 -5.832 431 HA SER 59 HA SER 59 9.643 9.509 -7.750 432 1HB SER 59 2HB SER 59 9.824 7.663 -5.379 433 2HB SER 59 1HB SER 59 11.103 8.614 -6.130 434 HG SER 59 HG SER 59 10.542 9.816 -4.422 435 H ILE 60 H ILE 60 11.181 7.271 -7.720 436 HA ILE 60 HA ILE 60 9.485 5.255 -9.073 437 HB ILE 60 HB ILE 60 11.514 4.787 -10.499 438 1HG1 ILE 60 2HG1 ILE 60 12.530 7.514 -9.861 439 2HG1 ILE 60 1HG1 ILE 60 12.890 6.246 -8.689 440 1HG2 ILE 60 1HG2 ILE 60 10.069 7.437 -10.552 441 2HG2 ILE 60 3HG2 ILE 60 11.217 6.993 -11.815 442 3HG2 ILE 60 2HG2 ILE 60 9.779 6.009 -11.545 443 1HD1 ILE 60 1HD1 ILE 60 13.323 5.649 -11.587 444 2HD1 ILE 60 3HD1 ILE 60 14.492 6.684 -10.767 445 3HD1 ILE 60 2HD1 ILE 60 14.195 5.048 -10.177 446 HA PRO 61 HA PRO 61 11.872 3.052 -5.791 447 1HB PRO 61 2HB PRO 61 9.734 1.887 -4.556 448 2HB PRO 61 1HB PRO 61 10.341 3.501 -4.151 449 1HG PRO 61 2HG PRO 61 7.881 2.733 -5.592 450 2HG PRO 61 1HG PRO 61 8.251 4.221 -4.707 451 1HD PRO 61 2HD PRO 61 8.299 3.844 -7.544 452 2HD PRO 61 1HD PRO 61 8.808 5.291 -6.642 453 H ASP 62 H ASP 62 12.426 1.903 -7.880 454 HA ASP 62 HA ASP 62 10.804 -0.406 -8.577 455 1HB ASP 62 2HB ASP 62 13.297 0.847 -9.664 456 2HB ASP 62 1HB ASP 62 12.903 -0.818 -10.093 457 H ASP 63 H ASP 63 13.468 0.272 -6.483 458 HA ASP 63 HA ASP 63 14.600 -2.367 -6.500 459 1HB ASP 63 2HB ASP 63 15.712 -0.150 -5.755 460 2HB ASP 63 1HB ASP 63 14.882 -0.422 -4.223 461 H VAL 64 H VAL 64 12.939 -0.618 -3.862 462 HA VAL 64 HA VAL 64 12.436 -2.940 -2.337 463 HB VAL 64 HB VAL 64 12.433 -0.655 -1.394 464 1HG1 VAL 64 3HG1 VAL 64 11.120 0.280 -3.408 465 2HG1 VAL 64 2HG1 VAL 64 9.679 -0.299 -2.570 466 3HG1 VAL 64 1HG1 VAL 64 10.714 0.911 -1.811 467 1HG2 VAL 64 3HG2 VAL 64 11.286 -2.524 -0.221 468 2HG2 VAL 64 2HG2 VAL 64 10.515 -0.971 0.100 469 3HG2 VAL 64 1HG2 VAL 64 9.787 -2.097 -1.044 470 H ALA 65 H ALA 65 10.390 -1.141 -4.610 471 HA ALA 65 HA ALA 65 8.098 -2.820 -4.249 472 1HB ALA 65 1HB ALA 65 8.315 -0.392 -5.275 473 2HB ALA 65 3HB ALA 65 8.526 -1.287 -6.781 474 3HB ALA 65 2HB ALA 65 7.056 -1.495 -5.830 475 H GLY 66 H GLY 66 10.897 -2.871 -6.351 476 1HA GLY 66 2HA GLY 66 9.939 -4.681 -8.302 477 2HA GLY 66 1HA GLY 66 11.633 -4.404 -7.909 478 H ARG 67 H ARG 67 11.403 -5.144 -5.130 479 HA ARG 67 HA ARG 67 11.338 -8.063 -5.485 480 1HB ARG 67 2HB ARG 67 13.313 -6.691 -4.437 481 2HB ARG 67 1HB ARG 67 12.306 -6.713 -2.988 482 1HG ARG 67 2HG ARG 67 12.368 -9.057 -2.826 483 2HG ARG 67 1HG ARG 67 12.841 -9.254 -4.514 484 1HD ARG 67 2HD ARG 67 14.976 -7.927 -3.804 485 2HD ARG 67 1HD ARG 67 14.518 -8.395 -2.171 486 HE ARG 67 HE ARG 67 14.884 -10.434 -4.286 487 1HH1 ARG 67 2HH1 ARG 67 14.578 -12.159 -2.336 488 2HH1 ARG 67 1HH1 ARG 67 15.963 -12.150 -1.297 489 1HH2 ARG 67 1HH2 ARG 67 17.128 -9.089 -2.433 490 2HH2 ARG 67 2HH2 ARG 67 17.407 -10.412 -1.351 491 H VAL 68 H VAL 68 8.843 -6.736 -5.352 492 HA VAL 68 HA VAL 68 7.831 -7.068 -2.643 493 HB VAL 68 HB VAL 68 6.995 -5.228 -4.084 494 1HG1 VAL 68 2HG1 VAL 68 7.023 -7.020 -6.118 495 2HG1 VAL 68 1HG1 VAL 68 5.317 -7.089 -5.679 496 3HG1 VAL 68 3HG1 VAL 68 6.048 -5.551 -6.143 497 1HG2 VAL 68 3HG2 VAL 68 5.542 -6.864 -2.395 498 2HG2 VAL 68 2HG2 VAL 68 4.975 -5.329 -3.051 499 3HG2 VAL 68 1HG2 VAL 68 4.543 -6.841 -3.849 500 H ASP 69 H ASP 69 7.264 -8.989 -1.882 501 HA ASP 69 HA ASP 69 6.640 -11.164 -3.752 502 1HB ASP 69 2HB ASP 69 7.424 -11.029 -0.860 503 2HB ASP 69 1HB ASP 69 6.582 -12.455 -1.465 504 H THR 70 H THR 70 5.215 -9.293 -1.126 505 HA THR 70 HA THR 70 2.668 -10.730 -1.477 506 HB THR 70 HB THR 70 2.167 -9.015 0.556 507 HG1 THR 70 HG1 THR 70 4.062 -8.931 1.812 508 1HG2 THR 70 2HG2 THR 70 1.920 -11.488 0.549 509 2HG2 THR 70 1HG2 THR 70 3.655 -11.642 0.825 510 3HG2 THR 70 3HG2 THR 70 2.629 -10.894 2.050 511 HA PRO 71 HA PRO 71 0.864 -7.299 -3.584 512 1HB PRO 71 2HB PRO 71 -1.740 -7.470 -2.782 513 2HB PRO 71 1HB PRO 71 -0.984 -8.604 -3.912 514 1HG PRO 71 2HG PRO 71 -1.685 -8.976 -1.053 515 2HG PRO 71 1HG PRO 71 -1.606 -10.170 -2.358 516 1HD PRO 71 2HD PRO 71 0.343 -9.769 -0.367 517 2HD PRO 71 1HD PRO 71 0.571 -10.679 -1.879 518 H ARG 72 H ARG 72 -0.272 -7.477 -0.208 519 HA ARG 72 HA ARG 72 -1.133 -4.849 0.132 520 1HB ARG 72 2HB ARG 72 -1.235 -6.865 1.765 521 2HB ARG 72 1HB ARG 72 0.340 -6.296 2.317 522 1HG ARG 72 2HG ARG 72 -0.551 -4.161 2.946 523 2HG ARG 72 1HG ARG 72 -2.080 -4.489 2.128 524 1HD ARG 72 2HD ARG 72 -2.047 -6.596 3.788 525 2HD ARG 72 1HD ARG 72 -1.079 -5.486 4.751 526 HE ARG 72 HE ARG 72 -3.049 -3.894 4.450 527 1HH1 ARG 72 1HH2 ARG 72 -5.326 -4.512 3.489 528 2HH1 ARG 72 2HH2 ARG 72 -6.099 -5.772 4.392 529 1HH2 ARG 72 2HH1 ARG 72 -3.194 -6.760 6.008 530 2HH2 ARG 72 1HH1 ARG 72 -4.892 -7.043 5.820 531 H GLU 73 H GLU 73 2.110 -6.110 -0.063 532 HA GLU 73 HA GLU 73 3.505 -3.997 1.198 533 1HB GLU 73 2HB GLU 73 4.231 -6.116 -0.789 534 2HB GLU 73 1HB GLU 73 5.363 -4.798 -0.485 535 1HG GLU 73 2HG GLU 73 4.900 -5.347 2.038 536 2HG GLU 73 1HG GLU 73 4.365 -6.904 1.406 537 H LEU 74 H LEU 74 2.592 -4.551 -2.191 538 HA LEU 74 HA LEU 74 3.865 -2.338 -3.329 539 1HB LEU 74 2HB LEU 74 2.237 -4.356 -4.270 540 2HB LEU 74 1HB LEU 74 1.236 -2.924 -4.505 541 HG LEU 74 HG LEU 74 3.265 -1.831 -5.590 542 1HD1 LEU 74 2HD1 LEU 74 4.871 -3.519 -4.585 543 2HD1 LEU 74 1HD1 LEU 74 4.252 -4.691 -5.749 544 3HD1 LEU 74 3HD1 LEU 74 5.078 -3.238 -6.314 545 1HD2 LEU 74 2HD2 LEU 74 1.833 -4.227 -6.727 546 2HD2 LEU 74 1HD2 LEU 74 1.592 -2.520 -7.097 547 3HD2 LEU 74 3HD2 LEU 74 3.025 -3.359 -7.694 548 H LEU 75 H LEU 75 0.620 -2.592 -1.893 549 HA LEU 75 HA LEU 75 -0.278 0.005 -2.497 550 1HB LEU 75 2HB LEU 75 -1.750 -1.780 -1.607 551 2HB LEU 75 1HB LEU 75 -0.932 -1.664 -0.050 552 HG LEU 75 HG LEU 75 -1.583 0.891 -0.233 553 1HD1 LEU 75 3HD1 LEU 75 -2.491 0.416 -2.611 554 2HD1 LEU 75 2HD1 LEU 75 -3.868 -0.313 -1.786 555 3HD1 LEU 75 1HD1 LEU 75 -3.488 1.390 -1.530 556 1HD2 LEU 75 2HD2 LEU 75 -2.397 -0.771 1.451 557 2HD2 LEU 75 1HD2 LEU 75 -3.626 0.412 1.001 558 3HD2 LEU 75 3HD2 LEU 75 -3.685 -1.219 0.332 559 H ASP 76 H ASP 76 1.211 -1.194 0.522 560 HA ASP 76 HA ASP 76 1.412 1.329 1.767 561 1HB ASP 76 2HB ASP 76 2.913 -1.256 2.161 562 2HB ASP 76 1HB ASP 76 3.233 0.177 3.140 563 H LEU 77 H LEU 77 3.241 -0.034 -0.813 564 HA LEU 77 HA LEU 77 5.696 1.362 -0.341 565 1HB LEU 77 2HB LEU 77 5.120 -0.710 -1.907 566 2HB LEU 77 1HB LEU 77 4.867 0.561 -3.097 567 HG LEU 77 HG LEU 77 7.176 -0.247 -3.187 568 1HD1 LEU 77 3HD1 LEU 77 6.649 2.179 -3.590 569 2HD1 LEU 77 2HD1 LEU 77 7.114 2.501 -1.919 570 3HD1 LEU 77 1HD1 LEU 77 8.306 1.881 -3.062 571 1HD2 LEU 77 1HD2 LEU 77 6.910 -0.221 -0.322 572 2HD2 LEU 77 3HD2 LEU 77 8.226 -0.872 -1.296 573 3HD2 LEU 77 2HD2 LEU 77 8.267 0.810 -0.772 574 H ILE 78 H ILE 78 3.315 1.783 -2.959 575 HA ILE 78 HA ILE 78 4.230 4.283 -3.832 576 HB ILE 78 HB ILE 78 1.411 3.174 -3.956 577 1HG1 ILE 78 2HG1 ILE 78 3.623 3.070 -6.025 578 2HG1 ILE 78 1HG1 ILE 78 3.254 1.739 -4.930 579 1HG2 ILE 78 1HG2 ILE 78 2.807 5.445 -5.382 580 2HG2 ILE 78 3HG2 ILE 78 1.385 4.651 -6.060 581 3HG2 ILE 78 2HG2 ILE 78 1.275 5.482 -4.509 582 1HD1 ILE 78 3HD1 ILE 78 1.236 3.002 -6.805 583 2HD1 ILE 78 2HD1 ILE 78 2.134 1.528 -7.166 584 3HD1 ILE 78 1HD1 ILE 78 1.001 1.561 -5.815 585 H ASN 79 H ASN 79 1.949 3.436 -1.314 586 HA ASN 79 HA ASN 79 0.774 5.911 -0.802 587 1HB ASN 79 2HB ASN 79 0.584 3.425 0.309 588 2HB ASN 79 1HB ASN 79 1.414 4.302 1.592 589 1HD2 ASN 79 2HD2 ASN 79 -2.496 4.801 1.250 590 2HD2 ASN 79 1HD2 ASN 79 -1.628 3.475 0.644 591 H GLY 80 H GLY 80 3.522 4.469 0.970 592 1HA GLY 80 2HA GLY 80 4.163 6.790 2.441 593 2HA GLY 80 1HA GLY 80 5.244 5.430 2.159 594 H ALA 81 H ALA 81 4.985 5.804 -0.804 595 HA ALA 81 HA ALA 81 7.236 7.524 -1.147 596 1HB ALA 81 3HB ALA 81 6.513 5.493 -2.586 597 2HB ALA 81 2HB ALA 81 5.449 6.642 -3.399 598 3HB ALA 81 1HB ALA 81 7.194 6.898 -3.406 599 H LEU 82 H LEU 82 3.775 7.926 -1.444 600 HA LEU 82 HA LEU 82 3.949 10.437 -2.867 601 1HB LEU 82 2HB LEU 82 1.970 8.635 -2.678 602 2HB LEU 82 1HB LEU 82 1.479 9.717 -1.377 603 HG LEU 82 HG LEU 82 1.946 11.603 -3.148 604 1HD1 LEU 82 2HD1 LEU 82 1.510 9.134 -4.855 605 2HD1 LEU 82 1HD1 LEU 82 1.370 10.787 -5.452 606 3HD1 LEU 82 3HD1 LEU 82 2.922 10.191 -4.866 607 1HD2 LEU 82 1HD2 LEU 82 -0.436 9.734 -3.106 608 2HD2 LEU 82 3HD2 LEU 82 -0.259 11.279 -2.275 609 3HD2 LEU 82 2HD2 LEU 82 -0.429 11.236 -4.030 610 H ALA 83 H ALA 83 3.447 9.380 0.467 611 HA ALA 83 HA ALA 83 2.800 11.887 1.585 612 1HB ALA 83 1HB ALA 83 4.188 9.496 2.820 613 2HB ALA 83 3HB ALA 83 3.609 10.889 3.732 614 3HB ALA 83 2HB ALA 83 2.464 9.861 2.870 615 H GLU 84 H GLU 84 5.909 10.263 1.082 616 HA GLU 84 HA GLU 84 7.452 12.374 2.279 617 1HB GLU 84 2HB GLU 84 8.038 9.814 1.796 618 2HB GLU 84 1HB GLU 84 8.699 10.513 0.318 619 1HG GLU 84 2HG GLU 84 9.974 12.148 1.721 620 2HG GLU 84 1HG GLU 84 9.400 11.303 3.159 621 H ALA 85 H ALA 85 6.303 11.598 -0.933 622 HA ALA 85 HA ALA 85 8.009 13.226 -2.463 623 1HB ALA 85 1HB ALA 85 5.099 12.543 -2.949 624 2HB ALA 85 3HB ALA 85 6.205 13.212 -4.149 625 3HB ALA 85 2HB ALA 85 6.487 11.601 -3.490 626 H ALA 86 HN ALA 86 5.166 13.968 -0.551 627 HA ALA 86 HA ALA 86 5.057 16.717 -1.525 628 1HB ALA 86 3HB ALA 86 3.019 15.265 -0.871 629 2HB ALA 86 2HB ALA 86 3.476 15.629 0.793 630 3HB ALA 86 1HB ALA 86 3.055 16.937 -0.314 No H/Q in entry = 630 Start of MODEL 2 1 1H MET 1 3H MET 1 -12.560 10.850 -0.921 2 2H MET 1 2H MET 1 -14.215 11.069 -0.606 3 3H MET 1 1H MET 1 -13.673 10.841 -2.200 4 HA MET 1 HA MET 1 -14.183 13.158 -1.844 5 1HB MET 1 2HB MET 1 -13.422 12.742 0.710 6 2HB MET 1 1HB MET 1 -11.933 13.448 0.083 7 1HG MET 1 2HG MET 1 -14.664 14.697 -0.312 8 2HG MET 1 1HG MET 1 -13.578 15.132 1.009 9 1HE MET 1 1HE MET 1 -14.781 15.678 -2.341 10 2HE MET 1 3HE MET 1 -14.754 17.145 -1.350 11 3HE MET 1 2HE MET 1 -13.845 17.079 -2.859 12 H ALA 2 H ALA 2 -10.884 11.941 -1.214 13 HA ALA 2 HA ALA 2 -9.958 13.439 -3.590 14 1HB ALA 2 2HB ALA 2 -8.845 14.037 -1.458 15 2HB ALA 2 1HB ALA 2 -8.331 12.360 -1.274 16 3HB ALA 2 3HB ALA 2 -7.720 13.328 -2.616 17 H THR 3 H THR 3 -7.720 12.242 -4.292 18 HA THR 3 HA THR 3 -8.453 9.417 -4.804 19 HB THR 3 HB THR 3 -6.847 11.092 -6.726 20 HG1 THR 3 HG1 THR 3 -8.871 11.359 -7.823 21 1HG2 THR 3 3HG2 THR 3 -6.862 8.598 -6.903 22 2HG2 THR 3 2HG2 THR 3 -8.614 8.659 -7.103 23 3HG2 THR 3 1HG2 THR 3 -7.562 9.394 -8.312 24 H LEU 4 H LEU 4 -7.101 8.153 -3.719 25 HA LEU 4 HA LEU 4 -4.217 8.797 -3.779 26 1HB LEU 4 2HB LEU 4 -5.874 7.936 -1.407 27 2HB LEU 4 1HB LEU 4 -4.120 7.756 -1.453 28 HG LEU 4 HG LEU 4 -4.289 10.321 -2.232 29 1HD1 LEU 4 2HD1 LEU 4 -6.796 10.240 -2.074 30 2HD1 LEU 4 1HD1 LEU 4 -6.631 9.967 -0.340 31 3HD1 LEU 4 3HD1 LEU 4 -6.066 11.478 -1.052 32 1HD2 LEU 4 1HD2 LEU 4 -3.053 9.331 -0.271 33 2HD2 LEU 4 3HD2 LEU 4 -3.745 10.922 0.055 34 3HD2 LEU 4 2HD2 LEU 4 -4.539 9.472 0.670 35 H LEU 5 H LEU 5 -3.045 6.714 -2.780 36 HA LEU 5 HA LEU 5 -3.852 4.519 -4.542 37 1HB LEU 5 2HB LEU 5 -1.327 5.367 -3.225 38 2HB LEU 5 1HB LEU 5 -1.558 3.632 -3.445 39 HG LEU 5 HG LEU 5 -0.400 4.695 -5.384 40 1HD1 LEU 5 1HD1 LEU 5 -2.079 2.697 -5.485 41 2HD1 LEU 5 3HD1 LEU 5 -3.143 3.851 -6.292 42 3HD1 LEU 5 2HD1 LEU 5 -1.573 3.457 -6.994 43 1HD2 LEU 5 1HD2 LEU 5 -2.133 6.775 -5.002 44 2HD2 LEU 5 3HD2 LEU 5 -1.252 6.500 -6.505 45 3HD2 LEU 5 2HD2 LEU 5 -2.917 5.940 -6.344 46 H THR 6 H THR 6 -5.701 4.597 -2.786 47 HA THR 6 HA THR 6 -5.194 3.224 -0.321 48 HB THR 6 HB THR 6 -7.135 4.698 -0.555 49 HG1 THR 6 HG1 THR 6 -7.354 3.024 0.905 50 1HG2 THR 6 1HG2 THR 6 -7.409 3.612 -3.057 51 2HG2 THR 6 3HG2 THR 6 -8.697 2.793 -2.174 52 3HG2 THR 6 2HG2 THR 6 -8.654 4.554 -2.237 53 H THR 7 H THR 7 -6.390 1.153 0.196 54 HA THR 7 HA THR 7 -5.352 -1.004 -1.201 55 HB THR 7 HB THR 7 -7.912 -0.980 0.418 56 HG1 THR 7 HG1 THR 7 -5.246 -1.499 1.223 57 1HG2 THR 7 2HG2 THR 7 -6.028 -3.142 -0.510 58 2HG2 THR 7 1HG2 THR 7 -7.062 -3.364 0.902 59 3HG2 THR 7 3HG2 THR 7 -7.783 -3.068 -0.680 60 H ASP 8 H ASP 8 -8.416 0.668 -1.640 61 HA ASP 8 HA ASP 8 -9.751 -1.087 -3.349 62 1HB ASP 8 2HB ASP 8 -10.605 1.126 -2.383 63 2HB ASP 8 1HB ASP 8 -9.776 1.908 -3.729 64 H ASP 9 H ASP 9 -7.419 1.472 -4.134 65 HA ASP 9 HA ASP 9 -7.430 1.060 -6.946 66 1HB ASP 9 2HB ASP 9 -6.462 3.052 -5.582 67 2HB ASP 9 1HB ASP 9 -5.021 2.046 -5.436 68 H LEU 10 H LEU 10 -5.734 -0.423 -4.265 69 HA LEU 10 HA LEU 10 -3.626 -1.724 -5.528 70 1HB LEU 10 2HB LEU 10 -4.603 -1.690 -3.000 71 2HB LEU 10 1HB LEU 10 -5.113 -3.300 -3.502 72 HG LEU 10 HG LEU 10 -2.285 -2.287 -3.869 73 1HD1 LEU 10 3HD1 LEU 10 -3.093 -2.383 -1.441 74 2HD1 LEU 10 2HD1 LEU 10 -3.268 -4.122 -1.672 75 3HD1 LEU 10 1HD1 LEU 10 -1.682 -3.366 -1.825 76 1HD2 LEU 10 1HD2 LEU 10 -3.517 -5.063 -3.843 77 2HD2 LEU 10 3HD2 LEU 10 -2.994 -4.189 -5.284 78 3HD2 LEU 10 2HD2 LEU 10 -1.806 -4.701 -4.085 79 H ARG 11 H ARG 11 -6.900 -2.997 -4.921 80 HA ARG 11 HA ARG 11 -6.554 -5.414 -6.352 81 1HB ARG 11 2HB ARG 11 -8.494 -4.411 -4.713 82 2HB ARG 11 1HB ARG 11 -9.287 -4.291 -6.281 83 1HG ARG 11 2HG ARG 11 -8.245 -6.767 -6.519 84 2HG ARG 11 1HG ARG 11 -8.442 -6.710 -4.766 85 1HD ARG 11 2HD ARG 11 -10.483 -7.592 -5.693 86 2HD ARG 11 1HD ARG 11 -10.815 -5.956 -5.134 87 HE ARG 11 HE ARG 11 -10.131 -5.663 -7.788 88 1HH1 ARG 11 2HH1 ARG 11 -12.911 -5.724 -6.114 89 2HH1 ARG 11 1HH1 ARG 11 -13.895 -6.510 -7.302 90 1HH2 ARG 11 1HH2 ARG 11 -11.212 -7.453 -9.287 91 2HH2 ARG 11 2HH2 ARG 11 -12.934 -7.489 -9.098 92 H ARG 12 H ARG 12 -7.985 -2.301 -7.257 93 HA ARG 12 HA ARG 12 -8.884 -2.960 -9.820 94 1HB ARG 12 2HB ARG 12 -8.104 -0.432 -8.455 95 2HB ARG 12 1HB ARG 12 -8.251 -0.397 -10.212 96 1HG ARG 12 2HG ARG 12 -10.523 -1.464 -9.962 97 2HG ARG 12 1HG ARG 12 -10.372 -1.241 -8.219 98 1HD ARG 12 2HD ARG 12 -10.634 1.031 -8.345 99 2HD ARG 12 1HD ARG 12 -9.832 1.144 -9.908 100 HE ARG 12 HE ARG 12 -12.671 0.611 -9.445 101 1HH1 ARG 12 1HH2 ARG 12 -12.812 -1.066 -11.521 102 2HH1 ARG 12 2HH2 ARG 12 -12.546 -0.185 -12.988 103 1HH2 ARG 12 2HH1 ARG 12 -11.103 2.541 -11.402 104 2HH2 ARG 12 1HH1 ARG 12 -11.578 1.856 -12.921 105 H ALA 13 H ALA 13 -5.641 -2.460 -8.676 106 HA ALA 13 HA ALA 13 -4.535 -1.971 -11.310 107 1HB ALA 13 2HB ALA 13 -3.224 -2.546 -8.644 108 2HB ALA 13 1HB ALA 13 -2.343 -2.184 -10.127 109 3HB ALA 13 3HB ALA 13 -3.407 -0.971 -9.417 110 H LEU 14 H LEU 14 -4.281 -4.590 -8.905 111 HA LEU 14 HA LEU 14 -2.849 -6.394 -10.507 112 1HB LEU 14 2HB LEU 14 -4.602 -6.670 -8.102 113 2HB LEU 14 1HB LEU 14 -4.103 -8.125 -8.964 114 HG LEU 14 HG LEU 14 -1.973 -6.123 -8.419 115 1HD1 LEU 14 1HD1 LEU 14 -3.581 -6.496 -6.326 116 2HD1 LEU 14 3HD1 LEU 14 -2.659 -7.994 -6.189 117 3HD1 LEU 14 2HD1 LEU 14 -1.829 -6.439 -6.134 118 1HD2 LEU 14 3HD2 LEU 14 -2.025 -8.646 -9.423 119 2HD2 LEU 14 2HD2 LEU 14 -0.621 -7.964 -8.602 120 3HD2 LEU 14 1HD2 LEU 14 -1.740 -9.002 -7.719 121 H VAL 15 H VAL 15 -6.168 -5.443 -10.669 122 HA VAL 15 HA VAL 15 -6.992 -7.846 -12.100 123 HB VAL 15 HB VAL 15 -8.542 -5.293 -11.594 124 1HG1 VAL 15 3HG1 VAL 15 -9.390 -8.089 -12.412 125 2HG1 VAL 15 2HG1 VAL 15 -10.497 -6.775 -12.016 126 3HG1 VAL 15 1HG1 VAL 15 -9.445 -6.647 -13.426 127 1HG2 VAL 15 2HG2 VAL 15 -7.631 -6.921 -9.634 128 2HG2 VAL 15 1HG2 VAL 15 -9.200 -6.122 -9.554 129 3HG2 VAL 15 3HG2 VAL 15 -9.091 -7.800 -10.084 130 H GLU 16 H GLU 16 -6.032 -4.544 -12.743 131 HA GLU 16 HA GLU 16 -7.014 -4.211 -15.342 132 1HB GLU 16 2HB GLU 16 -5.619 -2.621 -13.707 133 2HB GLU 16 1HB GLU 16 -4.295 -3.167 -14.737 134 1HG GLU 16 2HG GLU 16 -5.610 -2.500 -16.739 135 2HG GLU 16 1HG GLU 16 -6.876 -1.881 -15.676 136 H CYS 17 H CYS 17 -4.281 -6.047 -14.157 137 HA CYS 17 HA CYS 17 -2.936 -6.370 -16.644 138 1HB CYS 17 2HB CYS 17 -2.907 -7.899 -14.052 139 2HB CYS 17 1HB CYS 17 -2.006 -8.468 -15.456 140 HG CYS 17 HG CYS 17 -1.217 -6.120 -13.698 141 H ALA 18 H ALA 18 -4.694 -8.875 -14.812 142 HA ALA 18 HA ALA 18 -5.104 -10.467 -17.167 143 1HB ALA 18 1HB ALA 18 -5.070 -11.036 -14.503 144 2HB ALA 18 3HB ALA 18 -6.806 -11.017 -14.815 145 3HB ALA 18 2HB ALA 18 -5.756 -12.100 -15.731 146 H GLY 19 H GLY 19 -7.523 -9.154 -14.895 147 1HA GLY 19 2HA GLY 19 -9.146 -7.527 -16.031 148 2HA GLY 19 1HA GLY 19 -9.376 -8.843 -17.178 149 H GLU 20 H GLU 20 -10.053 -10.961 -16.215 150 HA GLU 20 HA GLU 20 -11.381 -10.905 -13.647 151 1HB GLU 20 2HB GLU 20 -13.634 -11.424 -14.594 152 2HB GLU 20 1HB GLU 20 -13.098 -9.778 -14.931 153 1HG GLU 20 2HG GLU 20 -13.764 -10.372 -17.054 154 2HG GLU 20 1HG GLU 20 -12.104 -10.964 -17.118 155 H THR 21 H THR 21 -12.094 -12.975 -12.973 156 HA THR 21 HA THR 21 -11.377 -15.200 -14.741 157 HB THR 21 HB THR 21 -9.588 -14.613 -13.011 158 HG1 THR 21 HG1 THR 21 -9.284 -16.805 -12.505 159 1HG2 THR 21 3HG2 THR 21 -11.590 -14.349 -11.245 160 2HG2 THR 21 2HG2 THR 21 -11.187 -16.040 -10.950 161 3HG2 THR 21 1HG2 THR 21 -9.955 -14.795 -10.761 162 H ASP 22 H ASP 22 -12.056 -17.010 -12.426 163 HA ASP 22 HA ASP 22 -14.972 -16.829 -12.715 164 1HB ASP 22 2HB ASP 22 -14.946 -19.205 -11.918 165 2HB ASP 22 1HB ASP 22 -14.071 -18.960 -13.430 166 H GLY 23 H GLY 23 -13.317 -15.224 -10.830 167 1HA GLY 23 2HA GLY 23 -14.748 -14.729 -8.709 168 2HA GLY 23 1HA GLY 23 -14.151 -16.315 -8.226 169 H THR 24 H THR 24 -13.674 -13.276 -7.529 170 HA THR 24 HA THR 24 -10.970 -12.695 -7.965 171 HB THR 24 HB THR 24 -12.771 -11.852 -5.675 172 HG1 THR 24 HG1 THR 24 -13.616 -10.917 -7.372 173 1HG2 THR 24 1HG2 THR 24 -9.945 -11.245 -6.334 174 2HG2 THR 24 3HG2 THR 24 -10.957 -9.846 -5.973 175 3HG2 THR 24 2HG2 THR 24 -10.788 -11.142 -4.789 176 H ASP 25 H ASP 25 -11.678 -13.027 -4.531 177 HA ASP 25 HA ASP 25 -10.136 -15.475 -4.307 178 1HB ASP 25 2HB ASP 25 -9.111 -12.797 -3.437 179 2HB ASP 25 1HB ASP 25 -8.634 -14.262 -2.577 180 H LEU 26 H LEU 26 -11.095 -12.727 -2.326 181 HA LEU 26 HA LEU 26 -12.785 -14.471 -0.695 182 1HB LEU 26 2HB LEU 26 -11.378 -12.527 0.977 183 2HB LEU 26 1HB LEU 26 -11.600 -14.254 1.224 184 HG LEU 26 HG LEU 26 -9.731 -14.529 -0.564 185 1HD1 LEU 26 1HD1 LEU 26 -9.738 -11.596 -0.013 186 2HD1 LEU 26 3HD1 LEU 26 -8.168 -12.385 -0.150 187 3HD1 LEU 26 2HD1 LEU 26 -9.309 -12.460 -1.489 188 1HD2 LEU 26 3HD2 LEU 26 -9.379 -13.529 2.260 189 2HD2 LEU 26 2HD2 LEU 26 -9.207 -15.173 1.646 190 3HD2 LEU 26 1HD2 LEU 26 -7.981 -13.961 1.277 191 H SER 27 H SER 27 -13.347 -12.425 1.224 192 HA SER 27 HA SER 27 -14.715 -10.440 -0.485 193 1HB SER 27 2HB SER 27 -15.652 -11.859 2.003 194 2HB SER 27 1HB SER 27 -16.389 -10.355 1.457 195 HG SER 27 HG SER 27 -17.530 -11.727 0.306 196 H GLY 28 H GLY 28 -12.052 -10.259 0.795 197 1HA GLY 28 2HA GLY 28 -11.457 -7.858 1.401 198 2HA GLY 28 1HA GLY 28 -12.566 -8.095 2.749 199 H ASP 29 H ASP 29 -9.766 -9.731 1.250 200 HA ASP 29 HA ASP 29 -8.074 -9.572 3.473 201 1HB ASP 29 2HB ASP 29 -10.111 -11.602 3.754 202 2HB ASP 29 1HB ASP 29 -8.532 -12.372 3.647 203 H PHE 30 H PHE 30 -7.792 -9.257 0.767 204 HA PHE 30 HA PHE 30 -6.337 -11.640 -0.182 205 1HB PHE 30 2HB PHE 30 -6.290 -10.397 -2.371 206 2HB PHE 30 1HB PHE 30 -7.898 -10.823 -1.794 207 HD1 PHE 30 HD2 PHE 30 -5.412 -8.011 -1.763 208 HD2 PHE 30 HD1 PHE 30 -9.541 -9.176 -1.519 209 HE1 PHE 30 HE2 PHE 30 -6.084 -5.630 -1.818 210 HE2 PHE 30 HE1 PHE 30 -10.214 -6.792 -1.568 211 HZ PHE 30 HZ PHE 30 -8.485 -5.017 -1.717 212 H LEU 31 H LEU 31 -5.380 -9.572 1.842 213 HA LEU 31 HA LEU 31 -2.908 -8.839 0.400 214 1HB LEU 31 2HB LEU 31 -4.212 -7.357 2.691 215 2HB LEU 31 1HB LEU 31 -2.694 -6.913 1.908 216 HG LEU 31 HG LEU 31 -5.350 -7.158 0.466 217 1HD1 LEU 31 1HD1 LEU 31 -5.089 -5.257 2.185 218 2HD1 LEU 31 3HD1 LEU 31 -3.869 -4.605 1.091 219 3HD1 LEU 31 2HD1 LEU 31 -5.532 -4.804 0.540 220 1HD2 LEU 31 3HD2 LEU 31 -2.614 -6.138 -0.358 221 2HD2 LEU 31 2HD2 LEU 31 -3.465 -7.537 -1.013 222 3HD2 LEU 31 1HD2 LEU 31 -4.079 -5.911 -1.314 223 H ASP 32 H ASP 32 -2.555 -11.162 1.145 224 HA ASP 32 HA ASP 32 -1.050 -11.054 3.677 225 1HB ASP 32 2HB ASP 32 -2.923 -13.281 2.832 226 2HB ASP 32 1HB ASP 32 -1.784 -13.386 4.176 227 H LEU 33 H LEU 33 -1.749 -12.916 0.735 228 HA LEU 33 HA LEU 33 1.078 -13.138 0.134 229 1HB LEU 33 2HB LEU 33 0.996 -15.627 -0.053 230 2HB LEU 33 1HB LEU 33 0.852 -15.056 1.610 231 HG LEU 33 HG LEU 33 -1.678 -15.396 0.071 232 1HD1 LEU 33 2HD1 LEU 33 0.211 -17.602 0.782 233 2HD1 LEU 33 1HD1 LEU 33 -1.512 -17.874 1.048 234 3HD1 LEU 33 3HD1 LEU 33 -0.918 -17.484 -0.567 235 1HD2 LEU 33 2HD2 LEU 33 -1.104 -14.729 2.628 236 2HD2 LEU 33 1HD2 LEU 33 -2.588 -15.567 2.174 237 3HD2 LEU 33 3HD2 LEU 33 -1.218 -16.480 2.805 238 H ARG 34 H ARG 34 -1.122 -11.863 -1.103 239 HA ARG 34 HA ARG 34 -2.370 -13.312 -3.152 240 1HB ARG 34 2HB ARG 34 -2.856 -10.921 -2.393 241 2HB ARG 34 1HB ARG 34 -1.508 -10.433 -3.419 242 1HG ARG 34 2HG ARG 34 -2.646 -10.865 -5.356 243 2HG ARG 34 1HG ARG 34 -3.492 -12.252 -4.670 244 1HD ARG 34 2HD ARG 34 -5.255 -10.994 -3.990 245 2HD ARG 34 1HD ARG 34 -4.227 -9.672 -3.449 246 HE ARG 34 HE ARG 34 -4.530 -8.660 -5.521 247 1HH1 ARG 34 1HH2 ARG 34 -3.694 -10.915 -7.292 248 2HH1 ARG 34 2HH2 ARG 34 -5.153 -11.291 -8.146 249 1HH2 ARG 34 2HH1 ARG 34 -7.206 -9.609 -5.915 250 2HH2 ARG 34 1HH1 ARG 34 -7.142 -10.552 -7.366 251 H PHE 35 H PHE 35 0.525 -11.226 -3.411 252 HA PHE 35 HA PHE 35 1.183 -11.767 -6.056 253 1HB PHE 35 2HB PHE 35 2.793 -10.976 -3.656 254 2HB PHE 35 1HB PHE 35 3.630 -11.409 -5.144 255 HD1 PHE 35 HD2 PHE 35 0.298 -9.720 -4.862 256 HD2 PHE 35 HD1 PHE 35 4.462 -9.290 -5.861 257 HE1 PHE 35 HE2 PHE 35 -0.147 -7.457 -5.769 258 HE2 PHE 35 HE1 PHE 35 4.003 -7.031 -6.758 259 HZ PHE 35 HZ PHE 35 1.714 -6.111 -6.710 260 H GLU 36 H GLU 36 2.146 -13.537 -3.134 261 HA GLU 36 HA GLU 36 3.354 -15.630 -4.819 262 1HB GLU 36 2HB GLU 36 3.489 -15.172 -1.828 263 2HB GLU 36 1HB GLU 36 4.278 -16.497 -2.682 264 1HG GLU 36 2HG GLU 36 4.748 -13.624 -3.476 265 2HG GLU 36 1HG GLU 36 5.691 -14.387 -2.195 266 H ASP 37 H ASP 37 1.093 -16.197 -5.488 267 HA ASP 37 HA ASP 37 0.229 -18.537 -4.169 268 1HB ASP 37 2HB ASP 37 -0.611 -16.886 -2.495 269 2HB ASP 37 1HB ASP 37 -1.623 -16.179 -3.752 270 H ILE 38 H ILE 38 -1.603 -15.882 -5.707 271 HA ILE 38 HA ILE 38 -3.053 -17.580 -7.429 272 HB ILE 38 HB ILE 38 -3.774 -15.284 -6.856 273 1HG1 ILE 38 2HG1 ILE 38 -3.337 -15.481 -9.843 274 2HG1 ILE 38 1HG1 ILE 38 -4.488 -16.511 -8.991 275 1HG2 ILE 38 2HG2 ILE 38 -1.438 -14.491 -8.616 276 2HG2 ILE 38 1HG2 ILE 38 -2.706 -13.384 -8.090 277 3HG2 ILE 38 3HG2 ILE 38 -1.639 -14.131 -6.904 278 1HD1 ILE 38 3HD1 ILE 38 -5.612 -14.479 -8.103 279 2HD1 ILE 38 2HD1 ILE 38 -4.494 -13.478 -9.031 280 3HD1 ILE 38 1HD1 ILE 38 -5.636 -14.531 -9.866 281 H GLY 39 H GLY 39 0.040 -15.961 -7.757 282 1HA GLY 39 2HA GLY 39 1.652 -17.184 -9.218 283 2HA GLY 39 1HA GLY 39 0.366 -17.223 -10.419 284 H TYR 40 H TYR 40 1.339 -14.551 -8.299 285 HA TYR 40 HA TYR 40 1.752 -12.899 -10.706 286 1HB TYR 40 2HB TYR 40 0.626 -12.386 -8.054 287 2HB TYR 40 1HB TYR 40 1.861 -11.207 -8.485 288 HD1 TYR 40 HD2 TYR 40 -1.307 -12.788 -9.646 289 HD2 TYR 40 HD1 TYR 40 1.472 -9.551 -10.145 290 HE1 TYR 40 HE2 TYR 40 -2.905 -11.650 -11.163 291 HE2 TYR 40 HE1 TYR 40 -0.125 -8.414 -11.662 292 HH TYR 40 HH TYR 40 -2.468 -8.382 -12.173 293 H ASP 41 H ASP 41 3.847 -13.972 -11.004 294 HA ASP 41 HA ASP 41 5.947 -13.827 -9.144 295 1HB ASP 41 2HB ASP 41 7.449 -14.094 -11.122 296 2HB ASP 41 1HB ASP 41 6.155 -15.286 -11.060 297 H SER 42 H SER 42 7.719 -12.445 -9.034 298 HA SER 42 HA SER 42 7.107 -9.693 -9.074 299 1HB SER 42 2HB SER 42 9.654 -9.453 -8.787 300 2HB SER 42 1HB SER 42 8.773 -10.341 -7.545 301 HG SER 42 HG SER 42 9.579 -12.199 -8.284 302 H LEU 43 H LEU 43 9.014 -11.694 -11.294 303 HA LEU 43 HA LEU 43 9.970 -9.637 -12.954 304 1HB LEU 43 2HB LEU 43 10.376 -12.298 -12.871 305 2HB LEU 43 1HB LEU 43 9.268 -12.217 -14.241 306 HG LEU 43 HG LEU 43 11.661 -10.387 -14.037 307 1HD1 LEU 43 2HD1 LEU 43 12.085 -13.009 -13.992 308 2HD1 LEU 43 1HD1 LEU 43 11.722 -12.869 -15.713 309 3HD1 LEU 43 3HD1 LEU 43 13.060 -11.955 -15.017 310 1HD2 LEU 43 3HD2 LEU 43 9.586 -11.101 -16.048 311 2HD2 LEU 43 2HD2 LEU 43 10.418 -9.568 -15.787 312 3HD2 LEU 43 1HD2 LEU 43 11.222 -10.868 -16.667 313 H ALA 44 H ALA 44 6.781 -10.921 -12.640 314 HA ALA 44 HA ALA 44 5.951 -10.081 -15.302 315 1HB ALA 44 2HB ALA 44 4.576 -11.421 -12.989 316 2HB ALA 44 1HB ALA 44 3.644 -10.743 -14.323 317 3HB ALA 44 3HB ALA 44 4.823 -12.019 -14.630 318 H LEU 45 H LEU 45 4.949 -9.302 -11.965 319 HA LEU 45 HA LEU 45 3.422 -7.028 -12.722 320 1HB LEU 45 2HB LEU 45 3.400 -6.503 -10.303 321 2HB LEU 45 1HB LEU 45 2.972 -8.180 -10.640 322 HG LEU 45 HG LEU 45 5.682 -8.397 -10.367 323 1HD1 LEU 45 1HD1 LEU 45 4.747 -6.260 -8.430 324 2HD1 LEU 45 3HD1 LEU 45 6.300 -7.091 -8.358 325 3HD1 LEU 45 2HD1 LEU 45 5.926 -6.037 -9.724 326 1HD2 LEU 45 1HD2 LEU 45 3.338 -8.736 -8.554 327 2HD2 LEU 45 3HD2 LEU 45 4.486 -9.938 -9.139 328 3HD2 LEU 45 2HD2 LEU 45 4.941 -8.854 -7.826 329 H MET 46 H MET 46 6.789 -7.426 -12.564 330 HA MET 46 HA MET 46 7.651 -4.963 -11.527 331 1HB MET 46 2HB MET 46 9.030 -7.050 -12.246 332 2HB MET 46 1HB MET 46 9.046 -6.286 -13.835 333 1HG MET 46 2HG MET 46 9.829 -4.160 -12.591 334 2HG MET 46 1HG MET 46 10.181 -5.241 -11.242 335 1HE MET 46 1HE MET 46 12.432 -3.880 -11.722 336 2HE MET 46 3HE MET 46 12.711 -5.462 -10.981 337 3HE MET 46 2HE MET 46 13.748 -4.905 -12.291 338 H GLU 47 H GLU 47 6.388 -5.854 -14.676 339 HA GLU 47 HA GLU 47 7.130 -3.376 -15.952 340 1HB GLU 47 2HB GLU 47 5.201 -5.555 -16.783 341 2HB GLU 47 1HB GLU 47 5.654 -4.179 -17.790 342 1HG GLU 47 2HG GLU 47 7.982 -4.864 -17.781 343 2HG GLU 47 1HG GLU 47 7.638 -6.154 -16.626 344 H THR 48 H THR 48 4.296 -4.646 -14.305 345 HA THR 48 HA THR 48 2.423 -2.700 -15.117 346 HB THR 48 HB THR 48 2.484 -4.039 -12.409 347 HG1 THR 48 HG1 THR 48 1.275 -5.675 -13.496 348 1HG2 THR 48 2HG2 THR 48 0.504 -2.553 -14.051 349 2HG2 THR 48 1HG2 THR 48 -0.094 -3.972 -13.190 350 3HG2 THR 48 3HG2 THR 48 0.664 -2.653 -12.297 351 H ALA 49 H ALA 49 4.516 -2.842 -12.245 352 HA ALA 49 HA ALA 49 3.732 -0.261 -11.284 353 1HB ALA 49 2HB ALA 49 4.775 -2.247 -9.966 354 2HB ALA 49 1HB ALA 49 6.314 -1.601 -10.535 355 3HB ALA 49 3HB ALA 49 5.251 -0.604 -9.541 356 H ALA 50 H ALA 50 6.191 -1.455 -13.461 357 HA ALA 50 HA ALA 50 7.924 0.792 -13.378 358 1HB ALA 50 2HB ALA 50 7.457 -1.430 -15.339 359 2HB ALA 50 1HB ALA 50 8.490 -0.071 -15.779 360 3HB ALA 50 3HB ALA 50 8.896 -1.070 -14.385 361 H ARG 51 H ARG 51 4.948 0.111 -15.094 362 HA ARG 51 HA ARG 51 5.214 2.376 -16.884 363 1HB ARG 51 2HB ARG 51 3.875 0.122 -17.215 364 2HB ARG 51 1HB ARG 51 2.595 1.016 -16.393 365 1HG ARG 51 2HG ARG 51 2.997 2.895 -18.062 366 2HG ARG 51 1HG ARG 51 4.017 1.768 -18.957 367 1HD ARG 51 2HD ARG 51 1.255 0.917 -18.164 368 2HD ARG 51 1HD ARG 51 1.455 1.988 -19.546 369 HE ARG 51 HE ARG 51 3.209 -0.274 -19.702 370 1HH1 ARG 51 1HH2 ARG 51 2.149 0.478 -22.214 371 2HH1 ARG 51 2HH2 ARG 51 0.802 -0.575 -22.495 372 1HH2 ARG 51 2HH1 ARG 51 0.502 -1.513 -19.171 373 2HH2 ARG 51 1HH1 ARG 51 -0.130 -1.701 -20.772 374 H LEU 52 H LEU 52 3.094 1.525 -14.149 375 HA LEU 52 HA LEU 52 1.750 4.011 -14.023 376 1HB LEU 52 2HB LEU 52 2.105 1.703 -12.156 377 2HB LEU 52 1HB LEU 52 1.447 3.213 -11.523 378 HG LEU 52 HG LEU 52 -0.169 3.146 -13.525 379 1HD1 LEU 52 3HD1 LEU 52 1.096 1.404 -14.771 380 2HD1 LEU 52 2HD1 LEU 52 0.723 0.246 -13.495 381 3HD1 LEU 52 1HD1 LEU 52 -0.576 0.924 -14.476 382 1HD2 LEU 52 2HD2 LEU 52 -0.633 2.535 -11.064 383 2HD2 LEU 52 1HD2 LEU 52 -1.750 1.892 -12.267 384 3HD2 LEU 52 3HD2 LEU 52 -0.501 0.854 -11.582 385 H GLU 53 H GLU 53 4.935 3.114 -13.060 386 HA GLU 53 HA GLU 53 5.389 4.789 -10.871 387 1HB GLU 53 2HB GLU 53 6.977 3.060 -11.776 388 2HB GLU 53 1HB GLU 53 7.391 4.200 -13.057 389 1HG GLU 53 2HG GLU 53 8.536 5.591 -11.638 390 2HG GLU 53 1HG GLU 53 7.470 5.249 -10.275 391 H SER 54 H SER 54 4.913 5.597 -14.212 392 HA SER 54 HA SER 54 6.298 8.067 -14.271 393 1HB SER 54 2HB SER 54 3.955 7.022 -15.863 394 2HB SER 54 1HB SER 54 4.678 8.602 -16.158 395 HG SER 54 HG SER 54 5.472 6.486 -17.255 396 H ARG 55 H ARG 55 2.786 7.475 -13.974 397 HA ARG 55 HA ARG 55 2.107 10.124 -13.318 398 1HB ARG 55 2HB ARG 55 0.005 9.139 -12.398 399 2HB ARG 55 1HB ARG 55 0.393 8.569 -14.021 400 1HG ARG 55 2HG ARG 55 1.168 6.471 -13.218 401 2HG ARG 55 1HG ARG 55 1.248 7.051 -11.554 402 1HD ARG 55 2HD ARG 55 -0.747 5.598 -12.011 403 2HD ARG 55 1HD ARG 55 -1.158 7.203 -11.417 404 HE ARG 55 HE ARG 55 -1.316 6.439 -14.280 405 1HH1 ARG 55 1HH2 ARG 55 -1.580 9.351 -13.707 406 2HH1 ARG 55 2HH2 ARG 55 -3.289 9.556 -13.520 407 1HH2 ARG 55 2HH1 ARG 55 -3.915 6.176 -13.074 408 2HH2 ARG 55 1HH1 ARG 55 -4.611 7.759 -13.162 409 H TYR 56 H TYR 56 3.341 7.502 -11.367 410 HA TYR 56 HA TYR 56 3.215 9.276 -9.002 411 1HB TYR 56 2HB TYR 56 2.947 6.262 -9.123 412 2HB TYR 56 1HB TYR 56 3.163 7.173 -7.628 413 HD1 TYR 56 HD1 TYR 56 1.531 9.496 -7.824 414 HD2 TYR 56 HD2 TYR 56 0.737 5.559 -9.353 415 HE1 TYR 56 HE1 TYR 56 -0.903 9.959 -7.753 416 HE2 TYR 56 HE2 TYR 56 -1.697 6.025 -9.284 417 HH TYR 56 HH TYR 56 -2.973 9.093 -8.962 418 H GLY 57 H GLY 57 5.326 9.579 -10.637 419 1HA GLY 57 2HA GLY 57 7.513 7.857 -9.738 420 2HA GLY 57 1HA GLY 57 7.616 9.122 -10.958 421 H VAL 58 H VAL 58 6.493 9.158 -7.572 422 HA VAL 58 HA VAL 58 7.875 11.630 -7.062 423 HB VAL 58 HB VAL 58 5.686 11.103 -6.026 424 1HG1 VAL 58 1HG1 VAL 58 6.122 8.657 -5.701 425 2HG1 VAL 58 3HG1 VAL 58 7.228 9.070 -4.392 426 3HG1 VAL 58 2HG1 VAL 58 5.514 9.454 -4.251 427 1HG2 VAL 58 2HG2 VAL 58 7.268 12.691 -4.961 428 2HG2 VAL 58 1HG2 VAL 58 6.265 11.856 -3.773 429 3HG2 VAL 58 3HG2 VAL 58 7.940 11.360 -4.019 430 H SER 59 H SER 59 8.226 8.240 -6.125 431 HA SER 59 HA SER 59 10.880 8.868 -4.976 432 1HB SER 59 2HB SER 59 8.939 7.647 -3.637 433 2HB SER 59 1HB SER 59 9.537 6.239 -4.509 434 HG SER 59 HG SER 59 10.718 7.758 -2.516 435 H ILE 60 H ILE 60 12.053 6.421 -5.010 436 HA ILE 60 HA ILE 60 11.993 5.550 -7.827 437 HB ILE 60 HB ILE 60 13.840 7.164 -7.570 438 1HG1 ILE 60 2HG1 ILE 60 15.279 4.559 -7.696 439 2HG1 ILE 60 1HG1 ILE 60 13.941 4.778 -8.825 440 1HG2 ILE 60 3HG2 ILE 60 14.092 6.321 -5.041 441 2HG2 ILE 60 2HG2 ILE 60 15.323 5.294 -5.779 442 3HG2 ILE 60 1HG2 ILE 60 15.439 7.049 -5.918 443 1HD1 ILE 60 3HD1 ILE 60 16.267 6.694 -8.476 444 2HD1 ILE 60 2HD1 ILE 60 16.079 5.550 -9.806 445 3HD1 ILE 60 1HD1 ILE 60 14.938 6.882 -9.620 446 HA PRO 61 HA PRO 61 12.241 1.987 -4.815 447 1HB PRO 61 2HB PRO 61 9.760 0.929 -5.246 448 2HB PRO 61 1HB PRO 61 10.102 2.159 -4.019 449 1HG PRO 61 2HG PRO 61 8.692 2.428 -6.604 450 2HG PRO 61 1HG PRO 61 8.556 3.409 -5.138 451 1HD PRO 61 2HD PRO 61 10.004 4.069 -7.501 452 2HD PRO 61 1HD PRO 61 10.030 4.945 -5.952 453 H ASP 62 H ASP 62 13.775 1.177 -6.376 454 HA ASP 62 HA ASP 62 12.656 -0.337 -8.641 455 1HB ASP 62 2HB ASP 62 15.355 0.785 -8.002 456 2HB ASP 62 1HB ASP 62 15.241 -0.606 -9.081 457 H ASP 63 H ASP 63 14.545 -0.717 -5.687 458 HA ASP 63 HA ASP 63 14.925 -3.567 -6.160 459 1HB ASP 63 2HB ASP 63 16.050 -3.516 -3.931 460 2HB ASP 63 1HB ASP 63 16.750 -2.390 -5.092 461 H VAL 64 H VAL 64 13.136 -1.472 -3.918 462 HA VAL 64 HA VAL 64 11.985 -3.599 -2.420 463 HB VAL 64 HB VAL 64 12.138 -1.278 -1.576 464 1HG1 VAL 64 3HG1 VAL 64 11.555 -0.213 -3.792 465 2HG1 VAL 64 2HG1 VAL 64 9.874 -0.655 -3.486 466 3HG1 VAL 64 1HG1 VAL 64 10.702 0.465 -2.405 467 1HG2 VAL 64 3HG2 VAL 64 10.485 -2.845 -0.615 468 2HG2 VAL 64 2HG2 VAL 64 9.879 -1.189 -0.590 469 3HG2 VAL 64 1HG2 VAL 64 9.299 -2.322 -1.810 470 H ALA 65 H ALA 65 10.846 -1.675 -5.168 471 HA ALA 65 HA ALA 65 8.347 -3.147 -5.327 472 1HB ALA 65 1HB ALA 65 8.583 -0.700 -5.929 473 2HB ALA 65 3HB ALA 65 9.478 -1.217 -7.359 474 3HB ALA 65 2HB ALA 65 7.794 -1.699 -7.150 475 H GLY 66 H GLY 66 11.495 -3.161 -6.856 476 1HA GLY 66 2HA GLY 66 10.845 -4.681 -9.154 477 2HA GLY 66 1HA GLY 66 12.445 -4.548 -8.430 478 H ARG 67 H ARG 67 11.514 -5.562 -5.825 479 HA ARG 67 HA ARG 67 11.044 -8.393 -6.553 480 1HB ARG 67 2HB ARG 67 13.087 -7.194 -4.709 481 2HB ARG 67 1HB ARG 67 12.476 -8.822 -4.409 482 1HG ARG 67 2HG ARG 67 12.972 -8.988 -7.073 483 2HG ARG 67 1HG ARG 67 14.213 -7.828 -6.600 484 1HD ARG 67 2HD ARG 67 13.761 -10.553 -5.353 485 2HD ARG 67 1HD ARG 67 15.077 -10.121 -6.440 486 HE ARG 67 HE ARG 67 14.780 -8.683 -3.879 487 1HH1 ARG 67 2HH1 ARG 67 16.167 -11.507 -5.089 488 2HH1 ARG 67 1HH1 ARG 67 17.783 -11.151 -4.578 489 1HH2 ARG 67 1HH2 ARG 67 17.042 -7.906 -3.602 490 2HH2 ARG 67 2HH2 ARG 67 18.278 -9.112 -3.736 491 H VAL 68 H VAL 68 8.978 -6.643 -5.882 492 HA VAL 68 HA VAL 68 8.315 -6.680 -3.119 493 HB VAL 68 HB VAL 68 7.247 -5.134 -4.722 494 1HG1 VAL 68 1HG1 VAL 68 7.121 -6.946 -6.545 495 2HG1 VAL 68 3HG1 VAL 68 5.654 -7.491 -5.734 496 3HG1 VAL 68 2HG1 VAL 68 5.737 -5.862 -6.402 497 1HG2 VAL 68 1HG2 VAL 68 6.099 -5.808 -2.587 498 2HG2 VAL 68 3HG2 VAL 68 4.983 -5.321 -3.863 499 3HG2 VAL 68 2HG2 VAL 68 5.220 -7.032 -3.504 500 H ASP 69 H ASP 69 7.609 -8.294 -1.876 501 HA ASP 69 HA ASP 69 6.892 -10.838 -3.173 502 1HB ASP 69 2HB ASP 69 7.239 -11.817 -0.909 503 2HB ASP 69 1HB ASP 69 8.677 -11.012 -1.538 504 H THR 70 H THR 70 5.676 -8.390 -0.962 505 HA THR 70 HA THR 70 3.134 -9.876 -0.733 506 HB THR 70 HB THR 70 2.705 -7.998 1.031 507 HG1 THR 70 HG1 THR 70 4.674 -7.273 1.930 508 1HG2 THR 70 2HG2 THR 70 4.382 -10.457 1.191 509 2HG2 THR 70 1HG2 THR 70 4.353 -9.403 2.605 510 3HG2 THR 70 3HG2 THR 70 2.851 -10.085 1.984 511 HA PRO 71 HA PRO 71 1.160 -6.865 -3.299 512 1HB PRO 71 2HB PRO 71 -1.411 -7.042 -2.393 513 2HB PRO 71 1HB PRO 71 -0.636 -8.282 -3.392 514 1HG PRO 71 2HG PRO 71 -1.239 -8.309 -0.487 515 2HG PRO 71 1HG PRO 71 -1.136 -9.657 -1.628 516 1HD PRO 71 2HD PRO 71 0.848 -8.913 0.226 517 2HD PRO 71 1HD PRO 71 1.077 -10.003 -1.161 518 H ARG 72 H ARG 72 0.267 -6.667 0.134 519 HA ARG 72 HA ARG 72 -0.653 -3.991 0.113 520 1HB ARG 72 2HB ARG 72 -0.742 -5.920 1.959 521 2HB ARG 72 1HB ARG 72 0.671 -5.050 2.558 522 1HG ARG 72 2HG ARG 72 -0.660 -2.931 2.471 523 2HG ARG 72 1HG ARG 72 -2.077 -3.886 2.033 524 1HD ARG 72 2HD ARG 72 -0.447 -4.430 4.518 525 2HD ARG 72 1HD ARG 72 -1.831 -3.342 4.511 526 HE ARG 72 HE ARG 72 -2.022 -6.217 3.802 527 1HH1 ARG 72 1HH2 ARG 72 -4.083 -3.715 3.676 528 2HH1 ARG 72 2HH2 ARG 72 -5.176 -4.235 4.915 529 1HH2 ARG 72 2HH1 ARG 72 -3.070 -6.726 6.093 530 2HH2 ARG 72 1HH1 ARG 72 -4.602 -5.940 6.284 531 H GLU 73 H GLU 73 2.524 -5.283 -0.131 532 HA GLU 73 HA GLU 73 3.994 -3.214 1.131 533 1HB GLU 73 2HB GLU 73 4.563 -5.613 -0.301 534 2HB GLU 73 1HB GLU 73 5.470 -4.317 -1.077 535 1HG GLU 73 2HG GLU 73 5.468 -4.801 1.913 536 2HG GLU 73 1HG GLU 73 6.694 -5.440 0.818 537 H LEU 74 H LEU 74 3.560 -3.844 -2.355 538 HA LEU 74 HA LEU 74 4.652 -1.504 -3.332 539 1HB LEU 74 2HB LEU 74 3.228 -1.845 -5.352 540 2HB LEU 74 1HB LEU 74 4.095 -3.291 -4.846 541 HG LEU 74 HG LEU 74 1.445 -3.032 -3.599 542 1HD1 LEU 74 1HD1 LEU 74 1.754 -3.137 -6.598 543 2HD1 LEU 74 3HD1 LEU 74 0.351 -3.836 -5.791 544 3HD1 LEU 74 2HD1 LEU 74 0.683 -2.110 -5.645 545 1HD2 LEU 74 2HD2 LEU 74 3.030 -5.138 -5.070 546 2HD2 LEU 74 1HD2 LEU 74 2.543 -5.123 -3.375 547 3HD2 LEU 74 3HD2 LEU 74 1.343 -5.400 -4.631 548 H LEU 75 H LEU 75 1.460 -2.001 -1.977 549 HA LEU 75 HA LEU 75 0.306 0.448 -2.868 550 1HB LEU 75 2HB LEU 75 -1.026 -1.460 -2.014 551 2HB LEU 75 1HB LEU 75 -0.371 -1.179 -0.403 552 HG LEU 75 HG LEU 75 -1.266 1.298 -0.884 553 1HD1 LEU 75 1HD1 LEU 75 -2.591 -0.453 -2.878 554 2HD1 LEU 75 3HD1 LEU 75 -3.652 0.636 -1.985 555 3HD1 LEU 75 2HD1 LEU 75 -2.307 1.288 -2.918 556 1HD2 LEU 75 3HD2 LEU 75 -2.693 -1.152 0.119 557 2HD2 LEU 75 2HD2 LEU 75 -2.054 0.213 1.035 558 3HD2 LEU 75 1HD2 LEU 75 -3.529 0.402 0.085 559 H ASP 76 H ASP 76 1.765 -0.512 0.239 560 HA ASP 76 HA ASP 76 1.588 2.075 1.397 561 1HB ASP 76 2HB ASP 76 1.970 -0.249 2.525 562 2HB ASP 76 1HB ASP 76 3.676 0.093 2.232 563 H LEU 77 H LEU 77 3.698 0.843 -1.000 564 HA LEU 77 HA LEU 77 5.978 2.473 -0.297 565 1HB LEU 77 2HB LEU 77 5.282 0.877 -2.765 566 2HB LEU 77 1HB LEU 77 6.763 1.822 -2.618 567 HG LEU 77 HG LEU 77 5.941 -0.268 -0.593 568 1HD1 LEU 77 2HD1 LEU 77 6.531 -0.887 -3.176 569 2HD1 LEU 77 1HD1 LEU 77 8.153 -0.836 -2.487 570 3HD1 LEU 77 3HD1 LEU 77 6.942 -1.924 -1.811 571 1HD2 LEU 77 1HD2 LEU 77 7.812 1.745 -0.434 572 2HD2 LEU 77 3HD2 LEU 77 7.898 0.231 0.464 573 3HD2 LEU 77 2HD2 LEU 77 8.781 0.410 -1.052 574 H ILE 78 H ILE 78 3.655 2.517 -3.007 575 HA ILE 78 HA ILE 78 4.511 5.070 -3.961 576 HB ILE 78 HB ILE 78 1.852 3.704 -4.450 577 1HG1 ILE 78 2HG1 ILE 78 4.349 3.568 -6.157 578 2HG1 ILE 78 1HG1 ILE 78 3.961 2.338 -4.955 579 1HG2 ILE 78 1HG2 ILE 78 3.326 6.019 -5.666 580 2HG2 ILE 78 3HG2 ILE 78 2.314 5.012 -6.703 581 3HG2 ILE 78 2HG2 ILE 78 1.605 5.849 -5.321 582 1HD1 ILE 78 2HD1 ILE 78 1.851 3.121 -6.930 583 2HD1 ILE 78 1HD1 ILE 78 3.158 2.063 -7.464 584 3HD1 ILE 78 3HD1 ILE 78 2.114 1.572 -6.129 585 H ASN 79 H ASN 79 1.672 4.031 -2.112 586 HA ASN 79 HA ASN 79 0.437 6.515 -1.781 587 1HB ASN 79 2HB ASN 79 -0.158 3.971 -1.034 588 2HB ASN 79 1HB ASN 79 0.283 4.663 0.524 589 1HD2 ASN 79 2HD2 ASN 79 -3.351 5.302 -0.063 590 2HD2 ASN 79 1HD2 ASN 79 -2.385 3.911 0.060 591 H GLY 80 H GLY 80 3.143 5.068 -0.093 592 1HA GLY 80 2HA GLY 80 3.134 6.847 2.147 593 2HA GLY 80 1HA GLY 80 4.465 5.809 1.652 594 H ALA 81 H ALA 81 5.351 6.624 -0.647 595 HA ALA 81 HA ALA 81 6.784 8.969 -0.176 596 1HB ALA 81 2HB ALA 81 7.313 7.175 -1.881 597 2HB ALA 81 1HB ALA 81 6.103 7.919 -2.924 598 3HB ALA 81 3HB ALA 81 7.531 8.832 -2.440 599 H LEU 82 H LEU 82 3.598 8.539 -1.516 600 HA LEU 82 HA LEU 82 3.421 11.171 -2.681 601 1HB LEU 82 2HB LEU 82 2.021 8.934 -3.136 602 2HB LEU 82 1HB LEU 82 0.967 9.654 -1.921 603 HG LEU 82 HG LEU 82 0.268 10.343 -4.166 604 1HD1 LEU 82 2HD1 LEU 82 0.291 11.952 -2.125 605 2HD1 LEU 82 1HD1 LEU 82 1.614 12.756 -2.968 606 3HD1 LEU 82 3HD1 LEU 82 0.025 12.640 -3.726 607 1HD2 LEU 82 3HD2 LEU 82 2.868 10.221 -4.869 608 2HD2 LEU 82 2HD2 LEU 82 1.686 11.162 -5.777 609 3HD2 LEU 82 1HD2 LEU 82 2.730 11.958 -4.600 610 H ALA 83 H ALA 83 2.434 9.605 0.315 611 HA ALA 83 HA ALA 83 0.879 11.681 1.402 612 1HB ALA 83 1HB ALA 83 2.472 9.439 2.619 613 2HB ALA 83 3HB ALA 83 1.669 10.634 3.639 614 3HB ALA 83 2HB ALA 83 0.721 9.635 2.537 615 H GLU 84 H GLU 84 4.347 11.145 1.318 616 HA GLU 84 HA GLU 84 5.040 13.170 3.212 617 1HB GLU 84 2HB GLU 84 6.458 11.180 2.157 618 2HB GLU 84 1HB GLU 84 6.921 12.440 1.013 619 1HG GLU 84 2HG GLU 84 7.351 13.891 3.129 620 2HG GLU 84 1HG GLU 84 7.360 12.352 3.992 621 H ALA 85 H ALA 85 4.450 13.113 -0.243 622 HA ALA 85 HA ALA 85 5.580 15.604 -0.927 623 1HB ALA 85 1HB ALA 85 4.552 13.690 -2.423 624 2HB ALA 85 3HB ALA 85 3.080 14.649 -2.268 625 3HB ALA 85 2HB ALA 85 4.528 15.364 -2.976 626 H ALA 86 HN ALA 86 2.504 14.718 0.502 627 HA ALA 86 HA ALA 86 1.278 17.295 0.170 628 1HB ALA 86 1HB ALA 86 -0.079 15.265 0.468 629 2HB ALA 86 3HB ALA 86 0.595 15.048 2.082 630 3HB ALA 86 2HB ALA 86 -0.423 16.445 1.732 No H/Q in entry = 630 Start of MODEL 3 1 1H MET 1 3H MET 1 -7.751 17.490 2.701 2 2H MET 1 2H MET 1 -7.107 18.323 1.367 3 3H MET 1 1H MET 1 -8.456 17.310 1.169 4 HA MET 1 HA MET 1 -6.839 15.928 0.393 5 1HB MET 1 2HB MET 1 -4.544 15.885 1.376 6 2HB MET 1 1HB MET 1 -4.983 17.472 0.747 7 1HG MET 1 2HG MET 1 -4.202 18.135 2.806 8 2HG MET 1 1HG MET 1 -5.866 17.781 3.264 9 1HE MET 1 1HE MET 1 -2.536 16.593 2.568 10 2HE MET 1 3HE MET 1 -2.046 16.657 4.268 11 3HE MET 1 2HE MET 1 -2.249 15.102 3.464 12 H ALA 2 H ALA 2 -6.451 13.793 1.010 13 HA ALA 2 HA ALA 2 -6.753 13.044 3.818 14 1HB ALA 2 3HB ALA 2 -8.695 12.178 1.666 15 2HB ALA 2 2HB ALA 2 -8.547 11.383 3.234 16 3HB ALA 2 1HB ALA 2 -9.067 13.066 3.144 17 H THR 3 H THR 3 -7.044 11.422 0.654 18 HA THR 3 HA THR 3 -4.481 10.106 0.990 19 HB THR 3 HB THR 3 -6.873 8.298 0.739 20 HG1 THR 3 HG1 THR 3 -7.295 8.994 2.698 21 1HG2 THR 3 1HG2 THR 3 -4.558 7.519 0.162 22 2HG2 THR 3 3HG2 THR 3 -4.079 7.855 1.825 23 3HG2 THR 3 2HG2 THR 3 -5.293 6.621 1.489 24 H LEU 4 H LEU 4 -3.732 9.141 -0.911 25 HA LEU 4 HA LEU 4 -5.312 9.820 -3.316 26 1HB LEU 4 2HB LEU 4 -2.371 9.755 -2.746 27 2HB LEU 4 1HB LEU 4 -2.934 9.465 -4.393 28 HG LEU 4 HG LEU 4 -4.279 11.589 -4.227 29 1HD1 LEU 4 3HD1 LEU 4 -2.777 11.725 -1.608 30 2HD1 LEU 4 2HD1 LEU 4 -3.411 13.169 -2.397 31 3HD1 LEU 4 1HD1 LEU 4 -4.511 11.892 -1.878 32 1HD2 LEU 4 1HD2 LEU 4 -1.810 11.295 -5.099 33 2HD2 LEU 4 3HD2 LEU 4 -2.471 12.917 -4.887 34 3HD2 LEU 4 2HD2 LEU 4 -1.397 12.235 -3.665 35 H LEU 5 H LEU 5 -2.895 7.423 -2.229 36 HA LEU 5 HA LEU 5 -3.965 5.473 -4.129 37 1HB LEU 5 2HB LEU 5 -1.449 5.852 -2.681 38 2HB LEU 5 1HB LEU 5 -2.016 4.186 -2.615 39 HG LEU 5 HG LEU 5 -0.550 4.617 -4.583 40 1HD1 LEU 5 2HD1 LEU 5 -2.455 2.927 -4.572 41 2HD1 LEU 5 1HD1 LEU 5 -3.396 4.117 -5.471 42 3HD1 LEU 5 3HD1 LEU 5 -1.914 3.462 -6.164 43 1HD2 LEU 5 2HD2 LEU 5 -1.731 7.033 -4.768 44 2HD2 LEU 5 1HD2 LEU 5 -0.975 6.245 -6.152 45 3HD2 LEU 5 3HD2 LEU 5 -2.721 6.151 -5.931 46 H THR 6 H THR 6 -5.184 3.742 -3.589 47 HA THR 6 HA THR 6 -5.664 3.245 -0.716 48 HB THR 6 HB THR 6 -7.604 4.445 -1.425 49 HG1 THR 6 HG1 THR 6 -9.037 2.973 -0.854 50 1HG2 THR 6 2HG2 THR 6 -7.169 2.926 -3.923 51 2HG2 THR 6 1HG2 THR 6 -8.856 3.140 -3.460 52 3HG2 THR 6 3HG2 THR 6 -7.818 4.547 -3.691 53 H THR 7 H THR 7 -6.754 1.125 -0.343 54 HA THR 7 HA THR 7 -5.223 -0.996 -1.341 55 HB THR 7 HB THR 7 -8.011 -1.197 -0.180 56 HG1 THR 7 HG1 THR 7 -5.467 -1.020 1.055 57 1HG2 THR 7 2HG2 THR 7 -6.990 -3.244 -1.230 58 2HG2 THR 7 1HG2 THR 7 -5.677 -3.118 -0.059 59 3HG2 THR 7 3HG2 THR 7 -7.327 -3.408 0.493 60 H ASP 8 H ASP 8 -8.443 0.161 -2.263 61 HA ASP 8 HA ASP 8 -9.081 -1.860 -4.117 62 1HB ASP 8 2HB ASP 8 -9.949 0.987 -3.753 63 2HB ASP 8 1HB ASP 8 -10.428 0.114 -5.209 64 H ASP 9 H ASP 9 -7.071 0.996 -4.358 65 HA ASP 9 HA ASP 9 -6.836 1.133 -7.172 66 1HB ASP 9 2HB ASP 9 -6.065 2.918 -5.568 67 2HB ASP 9 1HB ASP 9 -4.702 1.877 -5.157 68 H LEU 10 H LEU 10 -4.664 -0.343 -4.737 69 HA LEU 10 HA LEU 10 -2.898 -1.501 -6.592 70 1HB LEU 10 2HB LEU 10 -1.880 -2.551 -4.802 71 2HB LEU 10 1HB LEU 10 -2.738 -1.265 -3.967 72 HG LEU 10 HG LEU 10 -4.653 -3.199 -3.937 73 1HD1 LEU 10 2HD1 LEU 10 -2.696 -4.646 -5.013 74 2HD1 LEU 10 1HD1 LEU 10 -2.194 -4.794 -3.329 75 3HD1 LEU 10 3HD1 LEU 10 -3.794 -5.349 -3.823 76 1HD2 LEU 10 1HD2 LEU 10 -3.568 -1.859 -2.040 77 2HD2 LEU 10 3HD2 LEU 10 -4.107 -3.489 -1.633 78 3HD2 LEU 10 2HD2 LEU 10 -2.396 -3.171 -1.924 79 H ARG 11 H ARG 11 -6.038 -2.505 -5.483 80 HA ARG 11 HA ARG 11 -5.961 -5.221 -6.277 81 1HB ARG 11 2HB ARG 11 -7.790 -3.641 -4.999 82 2HB ARG 11 1HB ARG 11 -8.545 -3.820 -6.579 83 1HG ARG 11 2HG ARG 11 -8.294 -6.281 -6.411 84 2HG ARG 11 1HG ARG 11 -7.586 -6.087 -4.807 85 1HD ARG 11 2HD ARG 11 -9.592 -5.544 -3.833 86 2HD ARG 11 1HD ARG 11 -10.204 -4.757 -5.283 87 HE ARG 11 HE ARG 11 -11.012 -6.832 -6.026 88 1HH1 ARG 11 2HH1 ARG 11 -10.520 -6.952 -2.759 89 2HH1 ARG 11 1HH1 ARG 11 -10.312 -8.668 -2.638 90 1HH2 ARG 11 1HH2 ARG 11 -10.104 -9.153 -6.065 91 2HH2 ARG 11 2HH2 ARG 11 -10.078 -9.914 -4.509 92 H ARG 12 H ARG 12 -6.911 -2.247 -7.922 93 HA ARG 12 HA ARG 12 -7.795 -3.448 -10.336 94 1HB ARG 12 2HB ARG 12 -7.159 -0.714 -9.403 95 2HB ARG 12 1HB ARG 12 -6.977 -0.973 -11.138 96 1HG ARG 12 2HG ARG 12 -9.309 -2.120 -10.981 97 2HG ARG 12 1HG ARG 12 -9.447 -1.272 -9.439 98 1HD ARG 12 2HD ARG 12 -10.407 0.026 -11.341 99 2HD ARG 12 1HD ARG 12 -9.095 0.871 -10.528 100 HE ARG 12 HE ARG 12 -7.728 0.506 -12.433 101 1HH1 ARG 12 1HH2 ARG 12 -7.752 -1.692 -13.882 102 2HH1 ARG 12 2HH2 ARG 12 -9.012 -1.614 -15.069 103 1HH2 ARG 12 2HH1 ARG 12 -10.718 0.948 -13.471 104 2HH2 ARG 12 1HH1 ARG 12 -10.691 -0.117 -14.835 105 H ALA 13 H ALA 13 -4.642 -2.528 -9.126 106 HA ALA 13 HA ALA 13 -3.317 -2.699 -11.680 107 1HB ALA 13 2HB ALA 13 -2.386 -2.476 -8.831 108 2HB ALA 13 1HB ALA 13 -1.241 -2.821 -10.126 109 3HB ALA 13 3HB ALA 13 -2.182 -1.331 -10.157 110 H LEU 14 H LEU 14 -4.102 -4.922 -9.102 111 HA LEU 14 HA LEU 14 -2.275 -6.978 -10.042 112 1HB LEU 14 2HB LEU 14 -4.126 -6.629 -7.753 113 2HB LEU 14 1HB LEU 14 -3.887 -8.285 -8.306 114 HG LEU 14 HG LEU 14 -1.402 -6.699 -8.107 115 1HD1 LEU 14 3HD1 LEU 14 -3.178 -6.280 -6.037 116 2HD1 LEU 14 2HD1 LEU 14 -2.254 -7.664 -5.453 117 3HD1 LEU 14 1HD1 LEU 14 -1.423 -6.172 -5.896 118 1HD2 LEU 14 3HD2 LEU 14 -2.368 -9.465 -7.800 119 2HD2 LEU 14 2HD2 LEU 14 -0.783 -8.883 -8.311 120 3HD2 LEU 14 1HD2 LEU 14 -1.166 -9.012 -6.594 121 H VAL 15 H VAL 15 -5.575 -6.038 -10.591 122 HA VAL 15 HA VAL 15 -6.316 -8.645 -11.677 123 HB VAL 15 HB VAL 15 -7.921 -6.077 -11.641 124 1HG1 VAL 15 3HG1 VAL 15 -8.573 -8.982 -12.182 125 2HG1 VAL 15 2HG1 VAL 15 -9.813 -7.798 -11.769 126 3HG1 VAL 15 1HG1 VAL 15 -8.851 -7.593 -13.233 127 1HG2 VAL 15 2HG2 VAL 15 -7.083 -7.300 -9.397 128 2HG2 VAL 15 1HG2 VAL 15 -8.699 -6.608 -9.534 129 3HG2 VAL 15 3HG2 VAL 15 -8.458 -8.339 -9.767 130 H GLU 16 H GLU 16 -5.346 -5.470 -12.775 131 HA GLU 16 HA GLU 16 -6.229 -5.576 -15.438 132 1HB GLU 16 2HB GLU 16 -5.107 -3.628 -14.135 133 2HB GLU 16 1HB GLU 16 -3.593 -4.341 -14.693 134 1HG GLU 16 2HG GLU 16 -4.498 -4.266 -17.037 135 2HG GLU 16 1HG GLU 16 -5.891 -3.377 -16.418 136 H CYS 17 H CYS 17 -3.517 -7.094 -13.842 137 HA CYS 17 HA CYS 17 -1.960 -7.749 -16.097 138 1HB CYS 17 2HB CYS 17 -2.284 -9.308 -13.522 139 2HB CYS 17 1HB CYS 17 -0.971 -9.488 -14.683 140 HG CYS 17 HG CYS 17 0.068 -7.351 -13.886 141 H ALA 18 H ALA 18 -4.417 -9.664 -14.362 142 HA ALA 18 HA ALA 18 -4.560 -11.476 -16.688 143 1HB ALA 18 2HB ALA 18 -5.367 -11.806 -13.799 144 2HB ALA 18 1HB ALA 18 -5.895 -12.922 -15.059 145 3HB ALA 18 3HB ALA 18 -4.176 -12.735 -14.711 146 H GLY 19 H GLY 19 -6.879 -10.381 -14.214 147 1HA GLY 19 2HA GLY 19 -8.726 -8.883 -14.892 148 2HA GLY 19 1HA GLY 19 -8.799 -9.799 -16.396 149 H GLU 20 H GLU 20 -11.030 -10.205 -15.954 150 HA GLU 20 HA GLU 20 -12.766 -11.557 -15.295 151 1HB GLU 20 2HB GLU 20 -10.367 -13.228 -14.798 152 2HB GLU 20 1HB GLU 20 -11.835 -13.714 -13.951 153 1HG GLU 20 2HG GLU 20 -13.051 -13.960 -15.982 154 2HG GLU 20 1HG GLU 20 -11.820 -13.104 -16.910 155 H THR 21 H THR 21 -14.155 -11.530 -13.614 156 HA THR 21 HA THR 21 -13.523 -11.768 -10.895 157 HB THR 21 HB THR 21 -12.346 -9.655 -11.068 158 HG1 THR 21 HG1 THR 21 -13.244 -9.162 -9.259 159 1HG2 THR 21 2HG2 THR 21 -13.991 -9.059 -13.120 160 2HG2 THR 21 1HG2 THR 21 -14.782 -8.142 -11.840 161 3HG2 THR 21 3HG2 THR 21 -13.092 -7.829 -12.231 162 H ASP 22 H ASP 22 -15.361 -12.486 -10.101 163 HA ASP 22 HA ASP 22 -17.900 -11.620 -11.312 164 1HB ASP 22 2HB ASP 22 -17.116 -13.986 -9.615 165 2HB ASP 22 1HB ASP 22 -18.806 -13.547 -9.866 166 H GLY 23 H GLY 23 -16.378 -9.911 -9.487 167 1HA GLY 23 2HA GLY 23 -17.249 -8.302 -7.983 168 2HA GLY 23 1HA GLY 23 -18.509 -9.444 -7.526 169 H THR 24 H THR 24 -15.146 -10.371 -7.732 170 HA THR 24 HA THR 24 -13.625 -11.069 -6.166 171 HB THR 24 HB THR 24 -15.034 -9.564 -4.003 172 HG1 THR 24 HG1 THR 24 -14.022 -7.670 -4.821 173 1HG2 THR 24 2HG2 THR 24 -12.205 -10.227 -4.788 174 2HG2 THR 24 1HG2 THR 24 -12.542 -8.924 -3.650 175 3HG2 THR 24 3HG2 THR 24 -13.040 -10.573 -3.274 176 H ASP 25 H ASP 25 -13.472 -12.909 -5.097 177 HA ASP 25 HA ASP 25 -15.868 -13.933 -3.690 178 1HB ASP 25 2HB ASP 25 -15.249 -15.100 -5.887 179 2HB ASP 25 1HB ASP 25 -13.812 -15.682 -5.045 180 H LEU 26 H LEU 26 -13.713 -12.370 -2.595 181 HA LEU 26 HA LEU 26 -12.608 -14.345 -0.696 182 1HB LEU 26 2HB LEU 26 -10.838 -13.571 -2.260 183 2HB LEU 26 1HB LEU 26 -11.170 -11.909 -1.795 184 HG LEU 26 HG LEU 26 -9.172 -13.106 -0.669 185 1HD1 LEU 26 2HD1 LEU 26 -10.616 -10.995 0.068 186 2HD1 LEU 26 1HD1 LEU 26 -11.011 -12.050 1.425 187 3HD1 LEU 26 3HD1 LEU 26 -9.329 -11.640 1.088 188 1HD2 LEU 26 2HD2 LEU 26 -10.758 -15.137 -0.123 189 2HD2 LEU 26 1HD2 LEU 26 -9.536 -14.644 1.050 190 3HD2 LEU 26 3HD2 LEU 26 -11.218 -14.157 1.269 191 H SER 27 H SER 27 -13.822 -13.977 1.062 192 HA SER 27 HA SER 27 -14.121 -11.173 1.967 193 1HB SER 27 2HB SER 27 -15.955 -13.546 2.231 194 2HB SER 27 1HB SER 27 -16.071 -12.175 3.331 195 HG SER 27 HG SER 27 -17.231 -11.349 1.781 196 H GLY 28 H GLY 28 -12.050 -11.330 2.994 197 1HA GLY 28 2HA GLY 28 -12.044 -11.729 5.705 198 2HA GLY 28 1HA GLY 28 -11.553 -13.287 5.046 199 H ASP 29 H ASP 29 -10.865 -9.906 4.151 200 HA ASP 29 HA ASP 29 -8.890 -8.770 3.847 201 1HB ASP 29 2HB ASP 29 -8.523 -9.819 6.228 202 2HB ASP 29 1HB ASP 29 -7.376 -10.854 5.377 203 H PHE 30 H PHE 30 -7.601 -8.708 2.123 204 HA PHE 30 HA PHE 30 -6.680 -11.279 0.974 205 1HB PHE 30 2HB PHE 30 -6.918 -10.210 -1.264 206 2HB PHE 30 1HB PHE 30 -8.450 -10.409 -0.419 207 HD1 PHE 30 HD2 PHE 30 -5.850 -7.948 -1.416 208 HD2 PHE 30 HD1 PHE 30 -9.729 -8.515 0.348 209 HE1 PHE 30 HE2 PHE 30 -6.284 -5.521 -1.601 210 HE2 PHE 30 HE1 PHE 30 -10.163 -6.082 0.161 211 HZ PHE 30 HZ PHE 30 -8.444 -4.587 -0.818 212 H LEU 31 H LEU 31 -5.341 -9.286 2.768 213 HA LEU 31 HA LEU 31 -3.067 -8.692 0.983 214 1HB LEU 31 2HB LEU 31 -4.251 -6.966 3.151 215 2HB LEU 31 1HB LEU 31 -2.629 -6.709 2.503 216 HG LEU 31 HG LEU 31 -5.003 -6.971 0.668 217 1HD1 LEU 31 3HD1 LEU 31 -4.963 -5.033 2.574 218 2HD1 LEU 31 2HD1 LEU 31 -4.035 -4.247 1.297 219 3HD1 LEU 31 1HD1 LEU 31 -5.671 -4.820 0.973 220 1HD2 LEU 31 3HD2 LEU 31 -2.139 -6.279 0.474 221 2HD2 LEU 31 2HD2 LEU 31 -3.228 -6.925 -0.752 222 3HD2 LEU 31 1HD2 LEU 31 -3.208 -5.195 -0.418 223 H ASP 32 H ASP 32 -2.586 -10.907 1.812 224 HA ASP 32 HA ASP 32 -0.819 -10.663 4.154 225 1HB ASP 32 2HB ASP 32 -2.943 -12.760 3.717 226 2HB ASP 32 1HB ASP 32 -1.515 -13.091 4.699 227 H LEU 33 H LEU 33 -1.908 -12.733 1.496 228 HA LEU 33 HA LEU 33 0.828 -13.039 0.542 229 1HB LEU 33 2HB LEU 33 -0.727 -15.226 1.828 230 2HB LEU 33 1HB LEU 33 0.103 -15.632 0.326 231 HG LEU 33 HG LEU 33 1.639 -14.077 2.356 232 1HD1 LEU 33 3HD1 LEU 33 0.722 -16.926 2.673 233 2HD1 LEU 33 2HD1 LEU 33 2.294 -16.426 3.297 234 3HD1 LEU 33 1HD1 LEU 33 0.824 -15.653 3.890 235 1HD2 LEU 33 2HD2 LEU 33 2.482 -14.802 0.073 236 2HD2 LEU 33 1HD2 LEU 33 3.482 -15.323 1.429 237 3HD2 LEU 33 3HD2 LEU 33 2.389 -16.466 0.649 238 H ARG 34 H ARG 34 -1.247 -11.595 -0.513 239 HA ARG 34 HA ARG 34 -3.009 -12.816 -2.270 240 1HB ARG 34 2HB ARG 34 -2.928 -10.371 -1.737 241 2HB ARG 34 1HB ARG 34 -1.541 -10.229 -2.817 242 1HG ARG 34 2HG ARG 34 -2.807 -10.635 -4.721 243 2HG ARG 34 1HG ARG 34 -4.023 -11.562 -3.840 244 1HD ARG 34 2HD ARG 34 -4.987 -9.588 -2.907 245 2HD ARG 34 1HD ARG 34 -3.625 -8.596 -3.418 246 HE ARG 34 HE ARG 34 -4.416 -8.859 -5.718 247 1HH1 ARG 34 1HH2 ARG 34 -6.292 -11.127 -4.272 248 2HH1 ARG 34 2HH2 ARG 34 -7.831 -10.479 -4.735 249 1HH2 ARG 34 2HH1 ARG 34 -6.525 -7.467 -5.849 250 2HH2 ARG 34 1HH1 ARG 34 -7.962 -8.407 -5.629 251 H PHE 35 H PHE 35 0.061 -11.313 -3.334 252 HA PHE 35 HA PHE 35 0.194 -12.223 -5.902 253 1HB PHE 35 2HB PHE 35 2.453 -11.987 -3.918 254 2HB PHE 35 1HB PHE 35 2.699 -12.291 -5.630 255 HD1 PHE 35 HD1 PHE 35 0.958 -10.532 -7.119 256 HD2 PHE 35 HD2 PHE 35 2.885 -9.834 -3.326 257 HE1 PHE 35 HE1 PHE 35 0.818 -8.103 -7.475 258 HE2 PHE 35 HE2 PHE 35 2.742 -7.404 -3.709 259 HZ PHE 35 HZ PHE 35 1.708 -6.530 -5.787 260 H GLU 36 H GLU 36 1.981 -13.927 -3.326 261 HA GLU 36 HA GLU 36 2.221 -16.312 -4.904 262 1HB GLU 36 2HB GLU 36 3.738 -15.306 -2.942 263 2HB GLU 36 1HB GLU 36 2.738 -16.394 -1.980 264 1HG GLU 36 2HG GLU 36 3.463 -18.300 -3.146 265 2HG GLU 36 1HG GLU 36 4.015 -17.355 -4.529 266 H ASP 37 H ASP 37 0.008 -16.724 -5.277 267 HA ASP 37 HA ASP 37 -1.116 -18.787 -3.820 268 1HB ASP 37 2HB ASP 37 -1.497 -16.517 -2.329 269 2HB ASP 37 1HB ASP 37 -2.973 -16.546 -3.287 270 H ILE 38 H ILE 38 -1.705 -15.938 -5.804 271 HA ILE 38 HA ILE 38 -3.886 -17.346 -7.176 272 HB ILE 38 HB ILE 38 -4.796 -15.321 -7.790 273 1HG1 ILE 38 2HG1 ILE 38 -2.827 -13.268 -7.427 274 2HG1 ILE 38 1HG1 ILE 38 -2.084 -14.512 -8.411 275 1HG2 ILE 38 3HG2 ILE 38 -4.103 -15.489 -5.200 276 2HG2 ILE 38 2HG2 ILE 38 -3.264 -13.996 -5.628 277 3HG2 ILE 38 1HG2 ILE 38 -5.010 -14.125 -5.859 278 1HD1 ILE 38 3HD1 ILE 38 -4.643 -14.310 -9.484 279 2HD1 ILE 38 2HD1 ILE 38 -4.236 -12.644 -9.077 280 3HD1 ILE 38 1HD1 ILE 38 -3.193 -13.568 -10.151 281 H GLY 39 H GLY 39 -3.741 -16.078 -9.660 282 1HA GLY 39 2HA GLY 39 -1.245 -17.243 -10.755 283 2HA GLY 39 1HA GLY 39 -2.798 -17.306 -11.585 284 H TYR 40 H TYR 40 -0.990 -14.685 -9.958 285 HA TYR 40 HA TYR 40 -1.581 -12.910 -12.177 286 1HB TYR 40 2HB TYR 40 -1.126 -11.161 -10.675 287 2HB TYR 40 1HB TYR 40 -1.763 -12.364 -9.595 288 HD1 TYR 40 HD1 TYR 40 -0.137 -13.867 -8.344 289 HD2 TYR 40 HD2 TYR 40 0.996 -10.289 -10.428 290 HE1 TYR 40 HE1 TYR 40 2.048 -13.824 -7.139 291 HE2 TYR 40 HE2 TYR 40 3.121 -10.225 -9.209 292 HH TYR 40 HH TYR 40 4.623 -11.743 -8.051 293 H ASP 41 H ASP 41 0.633 -11.259 -12.125 294 HA ASP 41 HA ASP 41 2.859 -13.053 -12.885 295 1HB ASP 41 2HB ASP 41 3.408 -10.897 -14.414 296 2HB ASP 41 1HB ASP 41 2.491 -12.281 -14.994 297 H SER 42 H SER 42 4.717 -12.683 -11.900 298 HA SER 42 HA SER 42 4.903 -10.590 -9.914 299 1HB SER 42 2HB SER 42 5.806 -12.930 -9.621 300 2HB SER 42 1HB SER 42 7.071 -12.510 -10.773 301 HG SER 42 HG SER 42 6.877 -11.919 -8.159 302 H LEU 43 H LEU 43 6.725 -11.432 -12.858 303 HA LEU 43 HA LEU 43 8.387 -9.102 -12.700 304 1HB LEU 43 2HB LEU 43 7.909 -11.190 -14.808 305 2HB LEU 43 1HB LEU 43 8.895 -9.767 -15.144 306 HG LEU 43 HG LEU 43 10.270 -10.317 -13.116 307 1HD1 LEU 43 1HD1 LEU 43 8.378 -12.661 -13.112 308 2HD1 LEU 43 3HD1 LEU 43 10.001 -12.821 -12.440 309 3HD1 LEU 43 2HD1 LEU 43 8.879 -11.642 -11.761 310 1HD2 LEU 43 2HD2 LEU 43 10.064 -12.465 -15.252 311 2HD2 LEU 43 1HD2 LEU 43 11.023 -10.990 -15.355 312 3HD2 LEU 43 3HD2 LEU 43 11.445 -12.234 -14.179 313 H ALA 44 H ALA 44 5.200 -9.676 -13.914 314 HA ALA 44 HA ALA 44 5.316 -7.397 -15.730 315 1HB ALA 44 1HB ALA 44 3.895 -9.689 -15.887 316 2HB ALA 44 3HB ALA 44 2.698 -8.627 -15.146 317 3HB ALA 44 2HB ALA 44 3.427 -8.192 -16.689 318 H LEU 45 H LEU 45 4.253 -8.095 -12.464 319 HA LEU 45 HA LEU 45 2.505 -5.825 -12.320 320 1HB LEU 45 2HB LEU 45 1.930 -6.539 -10.253 321 2HB LEU 45 1HB LEU 45 2.722 -8.016 -10.757 322 HG LEU 45 HG LEU 45 4.607 -6.114 -9.496 323 1HD1 LEU 45 2HD1 LEU 45 2.039 -6.798 -8.186 324 2HD1 LEU 45 1HD1 LEU 45 3.500 -6.940 -7.207 325 3HD1 LEU 45 3HD1 LEU 45 3.081 -5.396 -7.950 326 1HD2 LEU 45 3HD2 LEU 45 4.495 -8.777 -9.970 327 2HD2 LEU 45 2HD2 LEU 45 5.527 -8.054 -8.738 328 3HD2 LEU 45 1HD2 LEU 45 3.957 -8.737 -8.289 329 H MET 46 H MET 46 5.868 -6.460 -11.601 330 HA MET 46 HA MET 46 6.419 -3.889 -10.450 331 1HB MET 46 2HB MET 46 7.827 -5.931 -10.076 332 2HB MET 46 1HB MET 46 8.364 -5.807 -11.752 333 1HG MET 46 2HG MET 46 8.810 -3.257 -10.903 334 2HG MET 46 1HG MET 46 9.088 -4.143 -9.405 335 1HE MET 46 1HE MET 46 11.139 -2.846 -9.670 336 2HE MET 46 3HE MET 46 12.628 -3.523 -10.344 337 3HE MET 46 2HE MET 46 11.582 -2.516 -11.343 338 H GLU 47 H GLU 47 6.425 -5.244 -13.683 339 HA GLU 47 HA GLU 47 7.829 -3.059 -14.914 340 1HB GLU 47 2HB GLU 47 6.282 -5.425 -15.912 341 2HB GLU 47 1HB GLU 47 6.675 -4.113 -17.023 342 1HG GLU 47 2HG GLU 47 9.053 -4.337 -16.501 343 2HG GLU 47 1HG GLU 47 8.696 -5.588 -15.310 344 H THR 48 H THR 48 4.507 -3.758 -14.107 345 HA THR 48 HA THR 48 3.332 -1.806 -15.849 346 HB THR 48 HB THR 48 2.175 -3.019 -13.325 347 HG1 THR 48 HG1 THR 48 2.085 -3.857 -16.032 348 1HG2 THR 48 2HG2 THR 48 1.075 -0.961 -14.341 349 2HG2 THR 48 1HG2 THR 48 0.761 -1.942 -15.773 350 3HG2 THR 48 3HG2 THR 48 0.047 -2.390 -14.224 351 H ALA 49 H ALA 49 4.246 -1.902 -12.427 352 HA ALA 49 HA ALA 49 3.301 0.703 -11.786 353 1HB ALA 49 3HB ALA 49 5.240 -1.201 -10.503 354 2HB ALA 49 2HB ALA 49 5.068 0.444 -9.889 355 3HB ALA 49 1HB ALA 49 3.678 -0.640 -9.909 356 H ALA 50 H ALA 50 6.371 -0.562 -12.960 357 HA ALA 50 HA ALA 50 7.908 1.792 -12.662 358 1HB ALA 50 1HB ALA 50 8.149 -0.614 -14.460 359 2HB ALA 50 3HB ALA 50 9.286 0.730 -14.558 360 3HB ALA 50 2HB ALA 50 9.133 -0.186 -13.060 361 H ARG 51 H ARG 51 5.897 0.568 -15.305 362 HA ARG 51 HA ARG 51 6.564 2.521 -17.228 363 1HB ARG 51 2HB ARG 51 4.281 0.640 -16.826 364 2HB ARG 51 1HB ARG 51 4.080 1.956 -17.984 365 1HG ARG 51 2HG ARG 51 6.635 0.427 -18.113 366 2HG ARG 51 1HG ARG 51 5.180 -0.397 -18.675 367 1HD ARG 51 2HD ARG 51 5.999 0.697 -20.602 368 2HD ARG 51 1HD ARG 51 4.705 1.741 -20.027 369 HE ARG 51 HE ARG 51 7.399 2.388 -19.091 370 1HH1 ARG 51 2HH1 ARG 51 5.739 4.638 -18.899 371 2HH1 ARG 51 1HH1 ARG 51 5.873 5.476 -20.408 372 1HH2 ARG 51 1HH2 ARG 51 7.178 2.751 -22.109 373 2HH2 ARG 51 2HH2 ARG 51 6.687 4.408 -22.226 374 H LEU 52 H LEU 52 3.802 2.365 -14.979 375 HA LEU 52 HA LEU 52 3.111 5.134 -15.584 376 1HB LEU 52 2HB LEU 52 1.820 3.072 -13.787 377 2HB LEU 52 1HB LEU 52 1.210 4.711 -14.014 378 HG LEU 52 HG LEU 52 1.365 4.092 -16.574 379 1HD1 LEU 52 2HD1 LEU 52 1.336 1.423 -15.154 380 2HD1 LEU 52 1HD1 LEU 52 0.711 1.617 -16.792 381 3HD1 LEU 52 3HD1 LEU 52 2.408 1.956 -16.450 382 1HD2 LEU 52 1HD2 LEU 52 -0.697 4.577 -15.185 383 2HD2 LEU 52 3HD2 LEU 52 -0.959 3.444 -16.510 384 3HD2 LEU 52 2HD2 LEU 52 -0.802 2.848 -14.857 385 H GLU 53 H GLU 53 5.514 3.995 -13.805 386 HA GLU 53 HA GLU 53 5.159 4.925 -11.186 387 1HB GLU 53 2HB GLU 53 7.104 3.556 -12.141 388 2HB GLU 53 1HB GLU 53 7.772 5.096 -12.682 389 1HG GLU 53 2HG GLU 53 7.849 5.938 -10.420 390 2HG GLU 53 1HG GLU 53 6.965 4.536 -9.817 391 H SER 54 H SER 54 5.967 6.603 -14.155 392 HA SER 54 HA SER 54 6.665 9.085 -12.858 393 1HB SER 54 2HB SER 54 6.707 10.010 -15.124 394 2HB SER 54 1HB SER 54 7.582 8.482 -15.074 395 HG SER 54 HG SER 54 6.152 8.563 -16.843 396 H ARG 55 H ARG 55 3.793 7.631 -14.244 397 HA ARG 55 HA ARG 55 2.174 9.928 -14.463 398 1HB ARG 55 2HB ARG 55 1.657 7.619 -15.367 399 2HB ARG 55 1HB ARG 55 1.203 7.163 -13.726 400 1HG ARG 55 2HG ARG 55 -0.594 8.708 -13.672 401 2HG ARG 55 1HG ARG 55 0.014 9.587 -15.076 402 1HD ARG 55 2HD ARG 55 -0.581 7.833 -16.564 403 2HD ARG 55 1HD ARG 55 -0.811 6.689 -15.247 404 HE ARG 55 HE ARG 55 -2.740 8.321 -14.621 405 1HH1 ARG 55 2HH1 ARG 55 -1.857 9.307 -17.594 406 2HH1 ARG 55 1HH1 ARG 55 -3.280 8.807 -18.446 407 1HH2 ARG 55 1HH2 ARG 55 -4.504 6.904 -15.817 408 2HH2 ARG 55 2HH2 ARG 55 -4.780 7.446 -17.438 409 H TYR 56 H TYR 56 2.803 7.729 -11.772 410 HA TYR 56 HA TYR 56 0.922 8.998 -9.999 411 1HB TYR 56 2HB TYR 56 3.060 6.909 -9.673 412 2HB TYR 56 1HB TYR 56 2.299 7.637 -8.259 413 HD1 TYR 56 HD1 TYR 56 1.103 6.479 -11.632 414 HD2 TYR 56 HD2 TYR 56 0.595 6.327 -7.369 415 HE1 TYR 56 HE1 TYR 56 -0.861 4.994 -11.918 416 HE2 TYR 56 HE2 TYR 56 -1.369 4.844 -7.656 417 HH TYR 56 HH TYR 56 -2.092 3.296 -10.572 418 H GLY 57 H GLY 57 4.314 9.354 -10.777 419 1HA GLY 57 2HA GLY 57 5.722 11.148 -10.313 420 2HA GLY 57 1HA GLY 57 4.436 11.866 -9.348 421 H VAL 58 H VAL 58 5.471 8.574 -8.824 422 HA VAL 58 HA VAL 58 6.411 9.324 -6.154 423 HB VAL 58 HB VAL 58 4.654 7.584 -6.375 424 1HG1 VAL 58 3HG1 VAL 58 5.419 6.621 -8.535 425 2HG1 VAL 58 2HG1 VAL 58 6.835 5.961 -7.717 426 3HG1 VAL 58 1HG1 VAL 58 5.223 5.386 -7.292 427 1HG2 VAL 58 3HG2 VAL 58 6.521 7.646 -4.581 428 2HG2 VAL 58 2HG2 VAL 58 5.547 6.186 -4.733 429 3HG2 VAL 58 1HG2 VAL 58 7.165 6.242 -5.431 430 H SER 59 H SER 59 8.323 8.110 -5.305 431 HA SER 59 HA SER 59 10.605 8.564 -6.861 432 1HB SER 59 2HB SER 59 10.307 8.133 -4.274 433 2HB SER 59 1HB SER 59 10.653 6.467 -4.728 434 HG SER 59 HG SER 59 12.471 8.018 -4.214 435 H ILE 60 H ILE 60 12.270 6.505 -6.912 436 HA ILE 60 HA ILE 60 10.918 4.535 -8.661 437 HB ILE 60 HB ILE 60 13.823 5.378 -8.761 438 1HG1 ILE 60 2HG1 ILE 60 11.739 6.123 -10.802 439 2HG1 ILE 60 1HG1 ILE 60 11.959 7.125 -9.367 440 1HG2 ILE 60 3HG2 ILE 60 12.986 3.075 -9.634 441 2HG2 ILE 60 2HG2 ILE 60 12.213 4.012 -10.913 442 3HG2 ILE 60 1HG2 ILE 60 13.965 4.068 -10.715 443 1HD1 ILE 60 3HD1 ILE 60 14.483 7.059 -9.971 444 2HD1 ILE 60 2HD1 ILE 60 13.935 6.529 -11.562 445 3HD1 ILE 60 1HD1 ILE 60 13.427 8.096 -10.931 446 HA PRO 61 HA PRO 61 12.707 2.027 -5.240 447 1HB PRO 61 2HB PRO 61 10.483 0.501 -4.795 448 2HB PRO 61 1HB PRO 61 10.761 2.072 -4.027 449 1HG PRO 61 2HG PRO 61 8.877 1.348 -6.188 450 2HG PRO 61 1HG PRO 61 8.803 2.680 -5.026 451 1HD PRO 61 2HD PRO 61 9.616 2.838 -7.754 452 2HD PRO 61 1HD PRO 61 9.724 4.126 -6.531 453 H ASP 62 H ASP 62 14.116 0.785 -6.444 454 HA ASP 62 HA ASP 62 13.017 -1.191 -8.323 455 1HB ASP 62 2HB ASP 62 15.718 0.047 -7.931 456 2HB ASP 62 1HB ASP 62 15.580 -1.507 -8.756 457 H ASP 63 H ASP 63 14.586 -0.952 -5.221 458 HA ASP 63 HA ASP 63 15.412 -3.719 -5.146 459 1HB ASP 63 2HB ASP 63 16.278 -1.582 -3.786 460 2HB ASP 63 1HB ASP 63 15.087 -2.171 -2.626 461 H VAL 64 H VAL 64 13.161 -1.914 -3.047 462 HA VAL 64 HA VAL 64 11.882 -4.186 -2.005 463 HB VAL 64 HB VAL 64 11.764 -1.954 -0.964 464 1HG1 VAL 64 3HG1 VAL 64 11.419 -0.817 -3.263 465 2HG1 VAL 64 2HG1 VAL 64 9.711 -1.190 -3.032 466 3HG1 VAL 64 1HG1 VAL 64 10.553 -0.155 -1.877 467 1HG2 VAL 64 1HG2 VAL 64 9.853 -3.865 -0.930 468 2HG2 VAL 64 3HG2 VAL 64 9.722 -2.370 -0.003 469 3HG2 VAL 64 2HG2 VAL 64 8.905 -2.517 -1.558 470 H ALA 65 H ALA 65 11.008 -2.097 -4.736 471 HA ALA 65 HA ALA 65 8.597 -3.532 -5.343 472 1HB ALA 65 3HB ALA 65 9.445 -1.085 -6.027 473 2HB ALA 65 2HB ALA 65 9.972 -1.962 -7.463 474 3HB ALA 65 1HB ALA 65 8.272 -1.978 -6.994 475 H GLY 66 H GLY 66 11.951 -3.706 -6.361 476 1HA GLY 66 2HA GLY 66 11.666 -5.296 -8.662 477 2HA GLY 66 1HA GLY 66 13.095 -5.251 -7.636 478 H ARG 67 H ARG 67 11.657 -6.113 -5.249 479 HA ARG 67 HA ARG 67 10.897 -8.868 -5.975 480 1HB ARG 67 2HB ARG 67 13.119 -7.998 -4.170 481 2HB ARG 67 1HB ARG 67 12.217 -9.457 -3.763 482 1HG ARG 67 2HG ARG 67 13.139 -10.643 -5.463 483 2HG ARG 67 1HG ARG 67 12.961 -9.312 -6.606 484 1HD ARG 67 2HD ARG 67 15.292 -9.534 -6.403 485 2HD ARG 67 1HD ARG 67 14.914 -8.213 -5.305 486 HE ARG 67 HE ARG 67 15.390 -11.003 -4.418 487 1HH1 ARG 67 2HH1 ARG 67 14.231 -9.503 -2.240 488 2HH1 ARG 67 1HH1 ARG 67 15.576 -8.724 -1.475 489 1HH2 ARG 67 1HH2 ARG 67 17.702 -9.152 -4.182 490 2HH2 ARG 67 2HH2 ARG 67 17.540 -8.525 -2.575 491 H VAL 68 H VAL 68 8.789 -7.731 -5.575 492 HA VAL 68 HA VAL 68 8.182 -7.223 -2.763 493 HB VAL 68 HB VAL 68 7.282 -5.721 -4.532 494 1HG1 VAL 68 2HG1 VAL 68 6.800 -7.985 -5.967 495 2HG1 VAL 68 1HG1 VAL 68 5.193 -7.674 -5.307 496 3HG1 VAL 68 3HG1 VAL 68 6.002 -6.442 -6.276 497 1HG2 VAL 68 2HG2 VAL 68 5.551 -7.237 -2.624 498 2HG2 VAL 68 1HG2 VAL 68 5.984 -5.528 -2.633 499 3HG2 VAL 68 3HG2 VAL 68 4.765 -6.135 -3.753 500 H ASP 69 H ASP 69 7.489 -8.762 -1.449 501 HA ASP 69 HA ASP 69 6.444 -11.260 -2.609 502 1HB ASP 69 2HB ASP 69 7.474 -10.654 0.173 503 2HB ASP 69 1HB ASP 69 6.876 -12.223 -0.364 504 H THR 70 H THR 70 5.599 -8.573 -0.535 505 HA THR 70 HA THR 70 2.990 -9.828 0.046 506 HB THR 70 HB THR 70 2.955 -7.596 1.561 507 HG1 THR 70 HG1 THR 70 5.003 -7.177 2.296 508 1HG2 THR 70 2HG2 THR 70 4.185 -10.299 2.106 509 2HG2 THR 70 1HG2 THR 70 3.984 -9.091 3.377 510 3HG2 THR 70 3HG2 THR 70 2.571 -9.728 2.533 511 HA PRO 71 HA PRO 71 1.054 -6.920 -2.684 512 1HB PRO 71 2HB PRO 71 -1.493 -7.015 -1.717 513 2HB PRO 71 1HB PRO 71 -0.755 -8.323 -2.654 514 1HG PRO 71 2HG PRO 71 -1.324 -8.178 0.248 515 2HG PRO 71 1HG PRO 71 -1.213 -9.592 -0.806 516 1HD PRO 71 2HD PRO 71 0.776 -8.672 0.988 517 2HD PRO 71 1HD PRO 71 0.984 -9.911 -0.273 518 H ARG 72 H ARG 72 0.242 -6.531 0.753 519 HA ARG 72 HA ARG 72 -0.602 -3.819 0.553 520 1HB ARG 72 2HB ARG 72 -1.038 -5.525 2.454 521 2HB ARG 72 1HB ARG 72 0.536 -5.018 3.063 522 1HG ARG 72 2HG ARG 72 -0.207 -2.934 3.645 523 2HG ARG 72 1HG ARG 72 -1.313 -2.833 2.275 524 1HD ARG 72 2HD ARG 72 -2.641 -4.697 3.532 525 2HD ARG 72 1HD ARG 72 -1.726 -4.165 4.939 526 HE ARG 72 HE ARG 72 -2.711 -1.832 4.027 527 1HH1 ARG 72 1HH2 ARG 72 -4.976 -2.715 2.594 528 2HH1 ARG 72 2HH2 ARG 72 -6.188 -3.065 3.783 529 1HH2 ARG 72 2HH1 ARG 72 -3.933 -3.247 6.413 530 2HH2 ARG 72 1HH1 ARG 72 -5.597 -3.363 5.945 531 H GLU 73 H GLU 73 2.501 -5.224 0.375 532 HA GLU 73 HA GLU 73 3.992 -3.146 1.653 533 1HB GLU 73 2HB GLU 73 4.833 -5.487 1.213 534 2HB GLU 73 1HB GLU 73 4.975 -5.040 -0.487 535 1HG GLU 73 2HG GLU 73 7.111 -4.527 0.275 536 2HG GLU 73 1HG GLU 73 6.303 -2.973 0.487 537 H LEU 74 H LEU 74 3.223 -3.913 -1.743 538 HA LEU 74 HA LEU 74 4.605 -1.669 -2.801 539 1HB LEU 74 2HB LEU 74 3.410 -2.126 -4.905 540 2HB LEU 74 1HB LEU 74 4.128 -3.582 -4.231 541 HG LEU 74 HG LEU 74 1.361 -3.110 -3.333 542 1HD1 LEU 74 2HD1 LEU 74 1.989 -3.605 -6.255 543 2HD1 LEU 74 1HD1 LEU 74 0.407 -3.875 -5.525 544 3HD1 LEU 74 3HD1 LEU 74 1.084 -2.247 -5.589 545 1HD2 LEU 74 3HD2 LEU 74 2.949 -5.392 -4.522 546 2HD2 LEU 74 2HD2 LEU 74 2.390 -5.224 -2.861 547 3HD2 LEU 74 1HD2 LEU 74 1.233 -5.529 -4.151 548 H LEU 75 H LEU 75 1.312 -2.152 -1.661 549 HA LEU 75 HA LEU 75 0.189 0.239 -2.694 550 1HB LEU 75 2HB LEU 75 -1.221 -1.550 -1.760 551 2HB LEU 75 1HB LEU 75 -0.523 -1.283 -0.165 552 HG LEU 75 HG LEU 75 -1.358 1.165 -0.433 553 1HD1 LEU 75 3HD1 LEU 75 -1.990 0.344 -2.960 554 2HD1 LEU 75 2HD1 LEU 75 -3.537 0.137 -2.139 555 3HD1 LEU 75 1HD1 LEU 75 -2.745 1.712 -2.144 556 1HD2 LEU 75 1HD2 LEU 75 -2.327 -0.509 1.117 557 2HD2 LEU 75 3HD2 LEU 75 -3.565 0.549 0.440 558 3HD2 LEU 75 2HD2 LEU 75 -3.368 -1.089 -0.182 559 H ASP 76 H ASP 76 1.423 -0.485 0.573 560 HA ASP 76 HA ASP 76 1.325 2.184 1.496 561 1HB ASP 76 2HB ASP 76 1.481 0.106 2.927 562 2HB ASP 76 1HB ASP 76 3.193 0.041 2.509 563 H LEU 77 H LEU 77 3.583 0.574 -0.566 564 HA LEU 77 HA LEU 77 5.900 2.105 0.042 565 1HB LEU 77 2HB LEU 77 5.612 -0.070 -1.418 566 2HB LEU 77 1HB LEU 77 5.392 1.090 -2.727 567 HG LEU 77 HG LEU 77 7.545 2.210 -1.724 568 1HD1 LEU 77 2HD1 LEU 77 7.774 -0.651 -0.738 569 2HD1 LEU 77 1HD1 LEU 77 9.072 0.541 -0.718 570 3HD1 LEU 77 3HD1 LEU 77 7.640 0.783 0.280 571 1HD2 LEU 77 3HD2 LEU 77 7.570 -0.402 -3.269 572 2HD2 LEU 77 2HD2 LEU 77 7.456 1.219 -3.953 573 3HD2 LEU 77 1HD2 LEU 77 8.941 0.702 -3.155 574 H ILE 78 H ILE 78 3.612 2.357 -2.692 575 HA ILE 78 HA ILE 78 4.632 4.846 -3.624 576 HB ILE 78 HB ILE 78 1.873 3.665 -4.043 577 1HG1 ILE 78 2HG1 ILE 78 4.171 3.447 -5.971 578 2HG1 ILE 78 1HG1 ILE 78 4.037 2.296 -4.640 579 1HG2 ILE 78 2HG2 ILE 78 3.393 5.955 -5.209 580 2HG2 ILE 78 1HG2 ILE 78 2.400 4.990 -6.304 581 3HG2 ILE 78 3HG2 ILE 78 1.662 5.789 -4.916 582 1HD1 ILE 78 3HD1 ILE 78 1.547 2.079 -5.443 583 2HD1 ILE 78 2HD1 ILE 78 2.173 2.736 -6.956 584 3HD1 ILE 78 1HD1 ILE 78 2.816 1.222 -6.318 585 H ASN 79 H ASN 79 2.046 3.941 -1.456 586 HA ASN 79 HA ASN 79 0.770 6.415 -1.129 587 1HB ASN 79 2HB ASN 79 0.368 3.883 -0.184 588 2HB ASN 79 1HB ASN 79 0.924 4.700 1.272 589 1HD2 ASN 79 2HD2 ASN 79 -2.823 5.100 0.758 590 2HD2 ASN 79 1HD2 ASN 79 -1.822 3.733 0.672 591 H GLY 80 H GLY 80 3.671 5.078 0.312 592 1HA GLY 80 2HA GLY 80 3.885 7.052 2.396 593 2HA GLY 80 1HA GLY 80 5.122 5.892 1.928 594 H ALA 81 H ALA 81 5.860 6.406 -0.509 595 HA ALA 81 HA ALA 81 7.429 8.716 -0.383 596 1HB ALA 81 1HB ALA 81 6.597 6.945 -2.667 597 2HB ALA 81 3HB ALA 81 7.596 8.372 -2.939 598 3HB ALA 81 2HB ALA 81 8.174 7.080 -1.888 599 H LEU 82 H LEU 82 4.116 8.349 -1.346 600 HA LEU 82 HA LEU 82 4.054 10.894 -2.772 601 1HB LEU 82 2HB LEU 82 2.000 8.772 -2.175 602 2HB LEU 82 1HB LEU 82 1.532 10.352 -2.805 603 HG LEU 82 HG LEU 82 3.584 8.543 -4.110 604 1HD1 LEU 82 3HD1 LEU 82 1.277 7.588 -4.140 605 2HD1 LEU 82 2HD1 LEU 82 0.704 9.072 -4.902 606 3HD1 LEU 82 1HD1 LEU 82 1.848 8.031 -5.749 607 1HD2 LEU 82 3HD2 LEU 82 2.324 11.198 -4.784 608 2HD2 LEU 82 2HD2 LEU 82 4.030 10.752 -4.801 609 3HD2 LEU 82 1HD2 LEU 82 2.949 10.153 -6.059 610 H ALA 83 H ALA 83 3.130 9.520 0.321 611 HA ALA 83 HA ALA 83 1.497 11.616 1.261 612 1HB ALA 83 1HB ALA 83 3.286 9.727 2.808 613 2HB ALA 83 3HB ALA 83 2.047 10.758 3.523 614 3HB ALA 83 2HB ALA 83 1.587 9.469 2.413 615 H GLU 84 H GLU 84 4.974 11.224 1.120 616 HA GLU 84 HA GLU 84 5.733 13.247 2.925 617 1HB GLU 84 2HB GLU 84 7.196 11.478 1.716 618 2HB GLU 84 1HB GLU 84 7.278 12.665 0.412 619 1HG GLU 84 2HG GLU 84 7.827 14.281 2.498 620 2HG GLU 84 1HG GLU 84 8.455 12.765 3.144 621 H ALA 85 H ALA 85 4.914 13.343 -0.510 622 HA ALA 85 HA ALA 85 5.608 16.077 -0.918 623 1HB ALA 85 1HB ALA 85 3.785 14.192 -2.417 624 2HB ALA 85 3HB ALA 85 4.080 15.852 -2.933 625 3HB ALA 85 2HB ALA 85 5.415 14.702 -2.859 626 H ALA 86 HN ALA 86 2.351 14.621 -0.916 627 HA ALA 86 HA ALA 86 1.151 17.171 -0.241 628 1HB ALA 86 1HB ALA 86 0.089 14.419 -0.821 629 2HB ALA 86 3HB ALA 86 -0.958 15.653 -0.118 630 3HB ALA 86 2HB ALA 86 -0.202 15.926 -1.689 No H/Q in entry = 630 Start of MODEL 4 1 1H MET 1 1H MET 1 -5.636 17.148 -3.010 2 2H MET 1 3H MET 1 -7.290 17.304 -3.347 3 3H MET 1 2H MET 1 -6.304 18.686 -3.285 4 HA MET 1 HA MET 1 -6.113 18.639 -0.996 5 1HB MET 1 2HB MET 1 -8.530 18.929 -2.039 6 2HB MET 1 1HB MET 1 -8.843 17.414 -1.192 7 1HG MET 1 2HG MET 1 -8.330 18.362 0.922 8 2HG MET 1 1HG MET 1 -7.551 19.766 0.193 9 1HE MET 1 3HE MET 1 -9.836 18.842 2.243 10 2HE MET 1 2HE MET 1 -11.299 19.812 2.088 11 3HE MET 1 1HE MET 1 -11.192 18.255 1.269 12 H ALA 2 H ALA 2 -7.914 15.672 -1.847 13 HA ALA 2 HA ALA 2 -6.285 14.218 0.153 14 1HB ALA 2 2HB ALA 2 -9.223 13.841 -0.479 15 2HB ALA 2 1HB ALA 2 -8.275 12.799 0.584 16 3HB ALA 2 3HB ALA 2 -8.550 14.487 1.018 17 H THR 3 H THR 3 -4.861 13.574 -1.529 18 HA THR 3 HA THR 3 -5.994 11.471 -3.276 19 HB THR 3 HB THR 3 -3.597 13.109 -4.070 20 HG1 THR 3 HG1 THR 3 -6.294 13.633 -4.762 21 1HG2 THR 3 3HG2 THR 3 -5.681 11.521 -5.594 22 2HG2 THR 3 2HG2 THR 3 -4.332 12.391 -6.323 23 3HG2 THR 3 1HG2 THR 3 -4.025 11.012 -5.268 24 H LEU 4 H LEU 4 -5.283 9.576 -2.568 25 HA LEU 4 HA LEU 4 -2.425 9.189 -2.118 26 1HB LEU 4 2HB LEU 4 -2.854 7.998 0.048 27 2HB LEU 4 1HB LEU 4 -3.112 9.741 0.121 28 HG LEU 4 HG LEU 4 -5.603 8.787 -0.655 29 1HD1 LEU 4 2HD1 LEU 4 -4.723 6.469 -0.149 30 2HD1 LEU 4 1HD1 LEU 4 -4.559 6.971 1.534 31 3HD1 LEU 4 3HD1 LEU 4 -6.151 6.930 0.777 32 1HD2 LEU 4 1HD2 LEU 4 -4.772 10.472 1.177 33 2HD2 LEU 4 3HD2 LEU 4 -6.319 9.656 1.402 34 3HD2 LEU 4 2HD2 LEU 4 -4.886 9.081 2.254 35 H LEU 5 H LEU 5 -2.116 6.744 -1.462 36 HA LEU 5 HA LEU 5 -3.593 5.210 -3.482 37 1HB LEU 5 2HB LEU 5 -0.908 5.071 -2.279 38 2HB LEU 5 1HB LEU 5 -1.683 3.502 -2.488 39 HG LEU 5 HG LEU 5 -0.360 4.142 -4.483 40 1HD1 LEU 5 1HD1 LEU 5 -2.619 2.853 -4.536 41 2HD1 LEU 5 3HD1 LEU 5 -3.264 4.333 -5.244 42 3HD1 LEU 5 2HD1 LEU 5 -1.964 3.465 -6.056 43 1HD2 LEU 5 3HD2 LEU 5 -1.295 6.692 -3.995 44 2HD2 LEU 5 2HD2 LEU 5 -0.520 6.172 -5.490 45 3HD2 LEU 5 1HD2 LEU 5 -2.279 6.198 -5.374 46 H THR 6 H THR 6 -5.082 3.751 -2.984 47 HA THR 6 HA THR 6 -5.277 2.851 -0.169 48 HB THR 6 HB THR 6 -7.725 2.670 -0.544 49 HG1 THR 6 HG1 THR 6 -8.352 2.752 -2.528 50 1HG2 THR 6 2HG2 THR 6 -6.347 4.841 0.179 51 2HG2 THR 6 1HG2 THR 6 -7.055 5.473 -1.307 52 3HG2 THR 6 3HG2 THR 6 -8.099 4.880 -0.016 53 H THR 7 H THR 7 -6.643 0.789 -0.029 54 HA THR 7 HA THR 7 -5.313 -1.308 -1.326 55 HB THR 7 HB THR 7 -8.095 -1.390 -0.132 56 HG1 THR 7 HG1 THR 7 -5.589 -1.897 1.088 57 1HG2 THR 7 1HG2 THR 7 -7.390 -3.369 -1.493 58 2HG2 THR 7 3HG2 THR 7 -5.999 -3.558 -0.426 59 3HG2 THR 7 2HG2 THR 7 -7.632 -3.749 0.212 60 H ASP 8 H ASP 8 -8.401 0.261 -2.048 61 HA ASP 8 HA ASP 8 -9.195 -1.444 -4.154 62 1HB ASP 8 2HB ASP 8 -9.882 1.386 -3.406 63 2HB ASP 8 1HB ASP 8 -10.493 0.677 -4.901 64 H ASP 9 H ASP 9 -6.983 1.268 -4.023 65 HA ASP 9 HA ASP 9 -6.848 1.757 -6.826 66 1HB ASP 9 2HB ASP 9 -5.898 3.130 -4.723 67 2HB ASP 9 1HB ASP 9 -4.433 2.250 -5.157 68 H LEU 10 H LEU 10 -4.848 -0.183 -4.608 69 HA LEU 10 HA LEU 10 -3.026 -1.059 -6.591 70 1HB LEU 10 2HB LEU 10 -2.038 -2.325 -4.934 71 2HB LEU 10 1HB LEU 10 -2.915 -1.168 -3.943 72 HG LEU 10 HG LEU 10 -4.833 -3.044 -4.159 73 1HD1 LEU 10 3HD1 LEU 10 -2.878 -4.301 -5.527 74 2HD1 LEU 10 2HD1 LEU 10 -2.491 -4.861 -3.901 75 3HD1 LEU 10 1HD1 LEU 10 -4.088 -5.170 -4.585 76 1HD2 LEU 10 3HD2 LEU 10 -3.650 -2.116 -2.089 77 2HD2 LEU 10 2HD2 LEU 10 -4.215 -3.784 -1.972 78 3HD2 LEU 10 1HD2 LEU 10 -2.508 -3.448 -2.266 79 H ARG 11 H ARG 11 -6.177 -2.172 -5.606 80 HA ARG 11 HA ARG 11 -6.124 -4.756 -6.752 81 1HB ARG 11 2HB ARG 11 -7.897 -3.509 -5.198 82 2HB ARG 11 1HB ARG 11 -8.663 -3.196 -6.755 83 1HG ARG 11 2HG ARG 11 -7.697 -5.971 -6.293 84 2HG ARG 11 1HG ARG 11 -9.097 -5.460 -5.349 85 1HD ARG 11 2HD ARG 11 -8.863 -5.225 -8.361 86 2HD ARG 11 1HD ARG 11 -9.742 -6.495 -7.519 87 HE ARG 11 HE ARG 11 -10.614 -3.766 -7.914 88 1HH1 ARG 11 1HH2 ARG 11 -11.683 -6.823 -7.199 89 2HH1 ARG 11 2HH2 ARG 11 -12.881 -6.359 -6.039 90 1HH2 ARG 11 2HH1 ARG 11 -11.819 -3.063 -5.864 91 2HH2 ARG 11 1HH1 ARG 11 -12.960 -4.231 -5.283 92 H ARG 12 H ARG 12 -7.633 -1.774 -7.991 93 HA ARG 12 HA ARG 12 -8.305 -2.726 -10.527 94 1HB ARG 12 2HB ARG 12 -8.323 -0.331 -11.213 95 2HB ARG 12 1HB ARG 12 -9.192 -0.623 -9.707 96 1HG ARG 12 2HG ARG 12 -7.253 0.122 -8.410 97 2HG ARG 12 1HG ARG 12 -6.323 0.345 -9.892 98 1HD ARG 12 2HD ARG 12 -8.959 1.737 -9.634 99 2HD ARG 12 1HD ARG 12 -7.578 2.386 -8.757 100 HE ARG 12 HE ARG 12 -6.880 1.884 -11.474 101 1HH1 ARG 12 1HH2 ARG 12 -6.197 4.390 -9.917 102 2HH1 ARG 12 2HH2 ARG 12 -7.132 5.592 -10.742 103 1HH2 ARG 12 2HH1 ARG 12 -9.174 3.291 -12.340 104 2HH2 ARG 12 1HH1 ARG 12 -8.817 4.971 -12.113 105 H ALA 13 H ALA 13 -5.251 -1.523 -9.301 106 HA ALA 13 HA ALA 13 -3.998 -1.145 -11.840 107 1HB ALA 13 2HB ALA 13 -2.755 -1.644 -9.125 108 2HB ALA 13 1HB ALA 13 -1.897 -1.075 -10.558 109 3HB ALA 13 3HB ALA 13 -3.135 -0.064 -9.812 110 H LEU 14 H LEU 14 -4.278 -3.853 -9.611 111 HA LEU 14 HA LEU 14 -2.376 -5.512 -10.991 112 1HB LEU 14 2HB LEU 14 -4.283 -5.856 -8.730 113 2HB LEU 14 1HB LEU 14 -3.748 -7.308 -9.575 114 HG LEU 14 HG LEU 14 -1.616 -5.353 -8.915 115 1HD1 LEU 14 1HD1 LEU 14 -3.406 -5.715 -6.916 116 2HD1 LEU 14 3HD1 LEU 14 -2.384 -7.129 -6.658 117 3HD1 LEU 14 2HD1 LEU 14 -1.677 -5.513 -6.631 118 1HD2 LEU 14 2HD2 LEU 14 -1.989 -8.357 -8.807 119 2HD2 LEU 14 1HD2 LEU 14 -0.973 -7.434 -9.914 120 3HD2 LEU 14 3HD2 LEU 14 -0.532 -7.563 -8.211 121 H VAL 15 H VAL 15 -5.793 -4.879 -11.268 122 HA VAL 15 HA VAL 15 -6.323 -7.239 -12.871 123 HB VAL 15 HB VAL 15 -8.091 -4.819 -12.452 124 1HG1 VAL 15 1HG1 VAL 15 -8.653 -7.683 -13.282 125 2HG1 VAL 15 3HG1 VAL 15 -9.886 -6.461 -12.973 126 3HG1 VAL 15 2HG1 VAL 15 -8.762 -6.261 -14.318 127 1HG2 VAL 15 1HG2 VAL 15 -7.358 -7.075 -10.680 128 2HG2 VAL 15 3HG2 VAL 15 -8.044 -5.502 -10.275 129 3HG2 VAL 15 2HG2 VAL 15 -9.092 -6.799 -10.844 130 H GLU 16 H GLU 16 -5.413 -3.917 -13.391 131 HA GLU 16 HA GLU 16 -6.316 -3.536 -16.020 132 1HB GLU 16 2HB GLU 16 -5.107 -1.910 -14.330 133 2HB GLU 16 1HB GLU 16 -3.659 -2.448 -15.181 134 1HG GLU 16 2HG GLU 16 -6.028 -1.634 -16.815 135 2HG GLU 16 1HG GLU 16 -5.069 -0.364 -16.053 136 H CYS 17 H CYS 17 -3.548 -5.272 -14.755 137 HA CYS 17 HA CYS 17 -2.061 -5.517 -17.144 138 1HB CYS 17 2HB CYS 17 -2.251 -7.401 -14.780 139 2HB CYS 17 1HB CYS 17 -1.037 -7.503 -16.056 140 HG CYS 17 HG CYS 17 0.244 -5.875 -14.703 141 H ALA 18 H ALA 18 -4.541 -7.599 -15.689 142 HA ALA 18 HA ALA 18 -4.483 -9.591 -17.713 143 1HB ALA 18 1HB ALA 18 -6.513 -8.820 -15.625 144 2HB ALA 18 3HB ALA 18 -6.836 -10.098 -16.797 145 3HB ALA 18 2HB ALA 18 -5.480 -10.248 -15.679 146 H GLY 19 H GLY 19 -6.111 -6.508 -17.431 147 1HA GLY 19 2HA GLY 19 -7.167 -5.263 -19.086 148 2HA GLY 19 1HA GLY 19 -6.878 -6.583 -20.216 149 H GLU 20 H GLU 20 -8.327 -8.374 -20.246 150 HA GLU 20 HA GLU 20 -11.066 -7.651 -19.878 151 1HB GLU 20 2HB GLU 20 -9.576 -10.005 -20.890 152 2HB GLU 20 1HB GLU 20 -11.175 -10.343 -20.228 153 1HG GLU 20 2HG GLU 20 -11.385 -9.867 -22.610 154 2HG GLU 20 1HG GLU 20 -12.118 -8.552 -21.692 155 H THR 21 H THR 21 -12.600 -8.604 -18.452 156 HA THR 21 HA THR 21 -12.153 -10.468 -16.463 157 HB THR 21 HB THR 21 -10.478 -9.101 -15.429 158 HG1 THR 21 HG1 THR 21 -12.229 -9.955 -14.097 159 1HG2 THR 21 3HG2 THR 21 -11.289 -7.000 -16.678 160 2HG2 THR 21 2HG2 THR 21 -12.412 -6.788 -15.335 161 3HG2 THR 21 1HG2 THR 21 -10.674 -6.770 -15.042 162 H ASP 22 H ASP 22 -14.044 -10.952 -15.612 163 HA ASP 22 HA ASP 22 -16.330 -9.248 -16.212 164 1HB ASP 22 2HB ASP 22 -17.662 -11.176 -15.355 165 2HB ASP 22 1HB ASP 22 -16.584 -11.614 -16.680 166 H GLY 23 H GLY 23 -14.293 -10.032 -13.508 167 1HA GLY 23 2HA GLY 23 -15.407 -8.037 -11.865 168 2HA GLY 23 1HA GLY 23 -16.057 -9.598 -11.370 169 H THR 24 H THR 24 -15.021 -10.327 -9.677 170 HA THR 24 HA THR 24 -12.213 -10.847 -9.679 171 HB THR 24 HB THR 24 -13.012 -9.025 -7.438 172 HG1 THR 24 HG1 THR 24 -11.825 -8.020 -9.791 173 1HG2 THR 24 1HG2 THR 24 -10.805 -10.479 -7.855 174 2HG2 THR 24 3HG2 THR 24 -10.345 -9.043 -8.769 175 3HG2 THR 24 2HG2 THR 24 -10.747 -8.907 -7.057 176 H ASP 25 H ASP 25 -11.810 -12.510 -8.340 177 HA ASP 25 HA ASP 25 -14.046 -13.582 -6.797 178 1HB ASP 25 2HB ASP 25 -12.527 -15.558 -6.483 179 2HB ASP 25 1HB ASP 25 -12.885 -15.190 -8.170 180 H LEU 26 H LEU 26 -13.929 -11.804 -5.250 181 HA LEU 26 HA LEU 26 -11.644 -11.758 -3.448 182 1HB LEU 26 2HB LEU 26 -13.511 -9.853 -4.231 183 2HB LEU 26 1HB LEU 26 -14.003 -10.253 -2.587 184 HG LEU 26 HG LEU 26 -11.264 -10.090 -2.333 185 1HD1 LEU 26 3HD1 LEU 26 -11.659 -9.028 -4.817 186 2HD1 LEU 26 2HD1 LEU 26 -11.801 -7.584 -3.815 187 3HD1 LEU 26 1HD1 LEU 26 -10.336 -8.562 -3.748 188 1HD2 LEU 26 1HD2 LEU 26 -13.593 -8.335 -1.762 189 2HD2 LEU 26 3HD2 LEU 26 -12.367 -8.971 -0.664 190 3HD2 LEU 26 2HD2 LEU 26 -12.009 -7.566 -1.666 191 H SER 27 H SER 27 -11.742 -13.846 -2.563 192 HA SER 27 HA SER 27 -14.087 -14.428 -0.867 193 1HB SER 27 2HB SER 27 -11.870 -16.208 -1.895 194 2HB SER 27 1HB SER 27 -13.074 -16.728 -0.720 195 HG SER 27 HG SER 27 -13.293 -16.284 -3.431 196 H GLY 28 H GLY 28 -12.019 -12.459 -0.199 197 1HA GLY 28 2HA GLY 28 -11.678 -12.909 2.504 198 2HA GLY 28 1HA GLY 28 -10.237 -13.576 1.744 199 H ASP 29 H ASP 29 -8.681 -12.142 2.230 200 HA ASP 29 HA ASP 29 -9.204 -9.271 1.956 201 1HB ASP 29 2HB ASP 29 -7.897 -10.459 3.904 202 2HB ASP 29 1HB ASP 29 -6.548 -10.380 2.771 203 H PHE 30 H PHE 30 -8.080 -11.768 -0.008 204 HA PHE 30 HA PHE 30 -6.744 -11.905 -1.873 205 1HB PHE 30 2HB PHE 30 -7.229 -10.216 -3.569 206 2HB PHE 30 1HB PHE 30 -8.695 -10.709 -2.732 207 HD1 PHE 30 HD2 PHE 30 -6.260 -7.961 -3.213 208 HD2 PHE 30 HD1 PHE 30 -9.873 -9.187 -1.232 209 HE1 PHE 30 HE2 PHE 30 -6.735 -5.609 -2.625 210 HE2 PHE 30 HE1 PHE 30 -10.350 -6.824 -0.653 211 HZ PHE 30 HZ PHE 30 -8.779 -5.036 -1.349 212 H LEU 31 H LEU 31 -5.406 -10.767 0.477 213 HA LEU 31 HA LEU 31 -3.243 -9.402 -0.980 214 1HB LEU 31 2HB LEU 31 -4.495 -8.507 1.610 215 2HB LEU 31 1HB LEU 31 -2.905 -7.957 1.072 216 HG LEU 31 HG LEU 31 -5.228 -7.807 -0.823 217 1HD1 LEU 31 3HD1 LEU 31 -4.889 -6.255 1.668 218 2HD1 LEU 31 2HD1 LEU 31 -5.146 -5.284 0.219 219 3HD1 LEU 31 1HD1 LEU 31 -6.328 -6.508 0.681 220 1HD2 LEU 31 2HD2 LEU 31 -2.524 -6.592 -0.470 221 2HD2 LEU 31 1HD2 LEU 31 -3.315 -7.166 -1.938 222 3HD2 LEU 31 3HD2 LEU 31 -3.765 -5.607 -1.247 223 H ASP 32 H ASP 32 -4.186 -11.289 1.875 224 HA ASP 32 HA ASP 32 -1.732 -11.648 3.109 225 1HB ASP 32 2HB ASP 32 -4.161 -13.374 2.833 226 2HB ASP 32 1HB ASP 32 -2.703 -14.058 3.554 227 H LEU 33 H LEU 33 -2.936 -13.053 0.145 228 HA LEU 33 HA LEU 33 -0.278 -13.940 -0.584 229 1HB LEU 33 2HB LEU 33 -2.438 -15.875 0.157 230 2HB LEU 33 1HB LEU 33 -1.391 -16.265 -1.206 231 HG LEU 33 HG LEU 33 0.416 -15.386 0.700 232 1HD1 LEU 33 3HD1 LEU 33 -1.629 -15.486 2.289 233 2HD1 LEU 33 2HD1 LEU 33 -1.475 -17.237 2.149 234 3HD1 LEU 33 1HD1 LEU 33 -0.145 -16.287 2.811 235 1HD2 LEU 33 1HD2 LEU 33 -0.572 -18.185 0.073 236 2HD2 LEU 33 3HD2 LEU 33 0.758 -17.330 -0.709 237 3HD2 LEU 33 2HD2 LEU 33 0.906 -17.843 0.972 238 H ARG 34 H ARG 34 -0.816 -12.236 -2.126 239 HA ARG 34 HA ARG 34 -2.616 -13.198 -4.270 240 1HB ARG 34 2HB ARG 34 -2.960 -10.904 -2.869 241 2HB ARG 34 1HB ARG 34 -1.947 -10.314 -4.184 242 1HG ARG 34 2HG ARG 34 -4.067 -12.123 -5.111 243 2HG ARG 34 1HG ARG 34 -4.698 -10.690 -4.302 244 1HD ARG 34 2HD ARG 34 -3.083 -9.343 -5.769 245 2HD ARG 34 1HD ARG 34 -2.880 -10.818 -6.709 246 HE ARG 34 HE ARG 34 -5.647 -10.231 -6.392 247 1HH1 ARG 34 1HH2 ARG 34 -3.262 -10.482 -8.682 248 2HH1 ARG 34 2HH2 ARG 34 -3.886 -9.284 -9.765 249 1HH2 ARG 34 2HH1 ARG 34 -6.257 -8.110 -7.519 250 2HH2 ARG 34 1HH1 ARG 34 -5.581 -7.937 -9.105 251 H PHE 35 H PHE 35 0.444 -11.583 -3.526 252 HA PHE 35 HA PHE 35 1.241 -11.319 -6.268 253 1HB PHE 35 2HB PHE 35 2.499 -10.857 -3.617 254 2HB PHE 35 1HB PHE 35 3.597 -11.188 -4.956 255 HD1 PHE 35 HD2 PHE 35 0.342 -9.329 -4.675 256 HD2 PHE 35 HD1 PHE 35 4.488 -9.198 -5.813 257 HE1 PHE 35 HE2 PHE 35 0.054 -7.002 -5.483 258 HE2 PHE 35 HE1 PHE 35 4.189 -6.877 -6.611 259 HZ PHE 35 HZ PHE 35 1.982 -5.778 -6.450 260 H GLU 36 H GLU 36 3.028 -13.135 -3.792 261 HA GLU 36 HA GLU 36 4.333 -14.870 -5.518 262 1HB GLU 36 2HB GLU 36 4.736 -14.508 -3.018 263 2HB GLU 36 1HB GLU 36 3.460 -15.697 -2.754 264 1HG GLU 36 2HG GLU 36 4.817 -17.160 -4.442 265 2HG GLU 36 1HG GLU 36 6.149 -16.074 -4.046 266 H ASP 37 H ASP 37 1.049 -15.014 -4.372 267 HA ASP 37 HA ASP 37 0.515 -17.751 -4.735 268 1HB ASP 37 2HB ASP 37 -1.019 -16.085 -3.641 269 2HB ASP 37 1HB ASP 37 -1.423 -15.486 -5.250 270 H ILE 38 H ILE 38 -0.354 -15.095 -6.960 271 HA ILE 38 HA ILE 38 -0.998 -16.772 -9.128 272 HB ILE 38 HB ILE 38 -1.750 -14.439 -8.984 273 1HG1 ILE 38 2HG1 ILE 38 0.019 -14.851 -11.413 274 2HG1 ILE 38 1HG1 ILE 38 -1.561 -15.607 -11.202 275 1HG2 ILE 38 2HG2 ILE 38 1.203 -13.896 -9.203 276 2HG2 ILE 38 1HG2 ILE 38 0.027 -12.703 -9.748 277 3HG2 ILE 38 3HG2 ILE 38 0.038 -13.226 -8.066 278 1HD1 ILE 38 2HD1 ILE 38 -1.065 -12.616 -11.157 279 2HD1 ILE 38 1HD1 ILE 38 -1.680 -13.509 -12.548 280 3HD1 ILE 38 3HD1 ILE 38 -2.633 -13.418 -11.067 281 H GLY 39 H GLY 39 2.061 -15.514 -8.004 282 1HA GLY 39 2HA GLY 39 4.086 -16.722 -8.599 283 2HA GLY 39 1HA GLY 39 3.403 -16.970 -10.203 284 H TYR 40 H TYR 40 3.142 -13.914 -8.540 285 HA TYR 40 HA TYR 40 4.704 -12.626 -10.657 286 1HB TYR 40 2HB TYR 40 2.702 -11.701 -8.626 287 2HB TYR 40 1HB TYR 40 3.840 -10.537 -9.297 288 HD1 TYR 40 HD2 TYR 40 2.153 -13.488 -10.901 289 HD2 TYR 40 HD1 TYR 40 2.636 -9.220 -10.806 290 HE1 TYR 40 HE2 TYR 40 0.747 -13.284 -12.932 291 HE2 TYR 40 HE1 TYR 40 1.227 -9.016 -12.836 292 HH TYR 40 HH TYR 40 -0.639 -11.614 -14.046 293 H ASP 41 H ASP 41 6.718 -13.566 -9.764 294 HA ASP 41 HA ASP 41 7.704 -12.962 -7.197 295 1HB ASP 41 2HB ASP 41 9.964 -13.368 -8.214 296 2HB ASP 41 1HB ASP 41 8.797 -14.654 -8.504 297 H SER 42 H SER 42 8.121 -11.277 -10.294 298 HA SER 42 HA SER 42 8.137 -8.693 -9.198 299 1HB SER 42 2HB SER 42 10.288 -9.369 -8.183 300 2HB SER 42 1HB SER 42 10.914 -9.757 -9.782 301 HG SER 42 HG SER 42 11.501 -7.724 -9.698 302 H LEU 43 H LEU 43 9.591 -10.754 -11.693 303 HA LEU 43 HA LEU 43 9.812 -8.803 -13.713 304 1HB LEU 43 2HB LEU 43 9.816 -10.727 -15.291 305 2HB LEU 43 1HB LEU 43 10.930 -10.942 -13.941 306 HG LEU 43 HG LEU 43 8.650 -12.037 -12.903 307 1HD1 LEU 43 2HD1 LEU 43 7.488 -11.738 -15.092 308 2HD1 LEU 43 1HD1 LEU 43 8.703 -12.771 -15.846 309 3HD1 LEU 43 3HD1 LEU 43 7.619 -13.432 -14.622 310 1HD2 LEU 43 1HD2 LEU 43 10.868 -13.299 -14.535 311 2HD2 LEU 43 3HD2 LEU 43 10.776 -13.143 -12.781 312 3HD2 LEU 43 2HD2 LEU 43 9.695 -14.251 -13.626 313 H ALA 44 H ALA 44 7.117 -10.779 -12.640 314 HA ALA 44 HA ALA 44 5.401 -10.280 -14.858 315 1HB ALA 44 2HB ALA 44 4.721 -10.986 -11.991 316 2HB ALA 44 1HB ALA 44 3.589 -11.024 -13.343 317 3HB ALA 44 3HB ALA 44 4.964 -12.128 -13.313 318 H LEU 45 H LEU 45 5.625 -8.835 -11.618 319 HA LEU 45 HA LEU 45 3.770 -6.707 -12.351 320 1HB LEU 45 2HB LEU 45 4.110 -5.963 -10.014 321 2HB LEU 45 1HB LEU 45 3.607 -7.643 -10.133 322 HG LEU 45 HG LEU 45 6.458 -7.622 -10.265 323 1HD1 LEU 45 1HD1 LEU 45 5.704 -5.332 -8.963 324 2HD1 LEU 45 3HD1 LEU 45 5.806 -6.476 -7.628 325 3HD1 LEU 45 2HD1 LEU 45 7.208 -6.201 -8.660 326 1HD2 LEU 45 2HD2 LEU 45 4.296 -8.682 -8.520 327 2HD2 LEU 45 1HD2 LEU 45 5.649 -9.525 -9.275 328 3HD2 LEU 45 3HD2 LEU 45 5.902 -8.599 -7.795 329 H MET 46 H MET 46 6.859 -7.148 -13.146 330 HA MET 46 HA MET 46 8.224 -4.843 -12.267 331 1HB MET 46 2HB MET 46 9.070 -6.979 -13.550 332 2HB MET 46 1HB MET 46 8.748 -5.997 -14.978 333 1HG MET 46 2HG MET 46 10.221 -4.244 -14.170 334 2HG MET 46 1HG MET 46 10.444 -5.086 -12.636 335 1HE MET 46 3HE MET 46 12.020 -6.776 -12.127 336 2HE MET 46 2HE MET 46 13.485 -6.947 -13.090 337 3HE MET 46 1HE MET 46 12.961 -5.346 -12.576 338 H GLU 47 H GLU 47 6.810 -5.468 -15.484 339 HA GLU 47 HA GLU 47 6.983 -2.766 -16.334 340 1HB GLU 47 2HB GLU 47 5.360 -5.110 -17.331 341 2HB GLU 47 1HB GLU 47 5.324 -3.525 -18.105 342 1HG GLU 47 2HG GLU 47 7.561 -3.651 -18.773 343 2HG GLU 47 1HG GLU 47 7.965 -4.843 -17.538 344 H THR 48 H THR 48 4.572 -4.552 -14.542 345 HA THR 48 HA THR 48 2.329 -2.905 -14.933 346 HB THR 48 HB THR 48 3.067 -4.337 -12.371 347 HG1 THR 48 HG1 THR 48 1.951 -6.076 -13.320 348 1HG2 THR 48 2HG2 THR 48 0.488 -3.332 -13.583 349 2HG2 THR 48 1HG2 THR 48 0.515 -4.554 -12.311 350 3HG2 THR 48 3HG2 THR 48 1.172 -2.946 -12.004 351 H ALA 49 H ALA 49 4.926 -2.735 -12.523 352 HA ALA 49 HA ALA 49 3.871 -0.350 -11.291 353 1HB ALA 49 3HB ALA 49 5.390 -2.199 -10.243 354 2HB ALA 49 2HB ALA 49 6.708 -1.271 -10.961 355 3HB ALA 49 1HB ALA 49 5.636 -0.515 -9.781 356 H ALA 50 H ALA 50 6.092 -1.092 -13.875 357 HA ALA 50 HA ALA 50 7.570 1.302 -13.949 358 1HB ALA 50 3HB ALA 50 6.864 -0.795 -15.966 359 2HB ALA 50 2HB ALA 50 7.600 0.709 -16.518 360 3HB ALA 50 1HB ALA 50 8.448 -0.313 -15.359 361 H ARG 51 H ARG 51 4.453 0.419 -15.369 362 HA ARG 51 HA ARG 51 4.140 3.062 -16.568 363 1HB ARG 51 2HB ARG 51 3.289 0.713 -17.466 364 2HB ARG 51 1HB ARG 51 1.898 1.094 -16.452 365 1HG ARG 51 2HG ARG 51 1.251 2.131 -18.420 366 2HG ARG 51 1HG ARG 51 2.110 3.460 -17.643 367 1HD ARG 51 2HD ARG 51 3.095 3.461 -19.750 368 2HD ARG 51 1HD ARG 51 4.206 2.436 -18.850 369 HE ARG 51 HE ARG 51 2.019 1.185 -20.385 370 1HH1 ARG 51 1HH2 ARG 51 3.749 -0.839 -19.534 371 2HH1 ARG 51 2HH2 ARG 51 5.015 -0.935 -20.712 372 1HH2 ARG 51 2HH1 ARG 51 4.374 2.197 -22.051 373 2HH2 ARG 51 1HH1 ARG 51 5.370 0.783 -22.137 374 H LEU 52 H LEU 52 3.110 1.278 -13.750 375 HA LEU 52 HA LEU 52 0.892 2.899 -13.033 376 1HB LEU 52 2HB LEU 52 1.507 0.589 -12.115 377 2HB LEU 52 1HB LEU 52 2.655 1.434 -11.076 378 HG LEU 52 HG LEU 52 0.752 2.886 -10.285 379 1HD1 LEU 52 3HD1 LEU 52 -0.718 1.001 -12.109 380 2HD1 LEU 52 2HD1 LEU 52 -1.534 1.654 -10.688 381 3HD1 LEU 52 1HD1 LEU 52 -0.909 2.745 -11.924 382 1HD2 LEU 52 3HD2 LEU 52 0.968 -0.062 -9.836 383 2HD2 LEU 52 2HD2 LEU 52 1.220 1.265 -8.703 384 3HD2 LEU 52 1HD2 LEU 52 -0.417 0.773 -9.134 385 H GLU 53 H GLU 53 4.328 3.345 -12.759 386 HA GLU 53 HA GLU 53 4.059 5.431 -10.733 387 1HB GLU 53 2HB GLU 53 6.370 4.093 -12.100 388 2HB GLU 53 1HB GLU 53 6.606 5.636 -11.280 389 1HG GLU 53 2HG GLU 53 6.206 4.749 -9.190 390 2HG GLU 53 1HG GLU 53 5.108 3.514 -9.809 391 H SER 54 H SER 54 3.111 5.550 -13.741 392 HA SER 54 HA SER 54 4.574 7.980 -14.513 393 1HB SER 54 2HB SER 54 3.795 7.643 -16.721 394 2HB SER 54 1HB SER 54 4.223 6.036 -16.144 395 HG SER 54 HG SER 54 1.745 7.148 -16.711 396 H ARG 55 H ARG 55 1.323 6.764 -13.839 397 HA ARG 55 HA ARG 55 0.201 9.459 -14.171 398 1HB ARG 55 2HB ARG 55 -1.515 7.207 -13.234 399 2HB ARG 55 1HB ARG 55 -1.885 8.509 -14.360 400 1HG ARG 55 2HG ARG 55 -0.209 7.334 -15.952 401 2HG ARG 55 1HG ARG 55 -0.386 5.945 -14.877 402 1HD ARG 55 2HD ARG 55 -2.042 5.577 -16.510 403 2HD ARG 55 1HD ARG 55 -2.935 6.303 -15.179 404 HE ARG 55 HE ARG 55 -3.469 8.002 -16.647 405 1HH1 ARG 55 2HH1 ARG 55 -1.612 6.073 -18.547 406 2HH1 ARG 55 1HH1 ARG 55 -0.850 7.328 -19.467 407 1HH2 ARG 55 1HH2 ARG 55 -1.965 9.882 -17.401 408 2HH2 ARG 55 2HH2 ARG 55 -1.050 9.485 -18.817 409 H TYR 56 H TYR 56 2.006 8.580 -11.886 410 HA TYR 56 HA TYR 56 0.196 9.450 -9.723 411 1HB TYR 56 2HB TYR 56 2.265 7.250 -9.650 412 2HB TYR 56 1HB TYR 56 1.616 8.002 -8.192 413 HD1 TYR 56 HD2 TYR 56 0.421 6.474 -11.422 414 HD2 TYR 56 HD1 TYR 56 -0.298 7.094 -7.223 415 HE1 TYR 56 HE2 TYR 56 -1.585 5.025 -11.545 416 HE2 TYR 56 HE1 TYR 56 -2.304 5.644 -7.356 417 HH TYR 56 HH TYR 56 -2.897 3.537 -9.702 418 H GLY 57 H GLY 57 3.570 9.109 -10.790 419 1HA GLY 57 2HA GLY 57 5.233 10.753 -10.771 420 2HA GLY 57 1HA GLY 57 4.155 11.801 -9.855 421 H VAL 58 H VAL 58 4.719 8.510 -8.832 422 HA VAL 58 HA VAL 58 6.008 9.521 -6.407 423 HB VAL 58 HB VAL 58 4.059 8.049 -6.144 424 1HG1 VAL 58 1HG1 VAL 58 5.734 6.182 -7.821 425 2HG1 VAL 58 3HG1 VAL 58 4.464 5.577 -6.760 426 3HG1 VAL 58 2HG1 VAL 58 4.063 6.682 -8.075 427 1HG2 VAL 58 2HG2 VAL 58 6.121 7.991 -4.598 428 2HG2 VAL 58 1HG2 VAL 58 4.976 6.657 -4.479 429 3HG2 VAL 58 3HG2 VAL 58 6.486 6.445 -5.366 430 H SER 59 H SER 59 7.849 8.304 -5.528 431 HA SER 59 HA SER 59 9.984 8.114 -7.344 432 1HB SER 59 2HB SER 59 9.718 6.892 -4.587 433 2HB SER 59 1HB SER 59 11.224 7.044 -5.485 434 HG SER 59 HG SER 59 10.839 8.781 -4.001 435 H ILE 60 H ILE 60 11.305 6.187 -7.798 436 HA ILE 60 HA ILE 60 9.596 3.811 -8.240 437 HB ILE 60 HB ILE 60 10.200 4.925 -10.335 438 1HG1 ILE 60 2HG1 ILE 60 11.956 2.480 -10.196 439 2HG1 ILE 60 1HG1 ILE 60 10.209 2.333 -9.998 440 1HG2 ILE 60 3HG2 ILE 60 12.733 5.248 -9.008 441 2HG2 ILE 60 2HG2 ILE 60 12.986 4.388 -10.527 442 3HG2 ILE 60 1HG2 ILE 60 12.184 5.957 -10.525 443 1HD1 ILE 60 1HD1 ILE 60 11.396 3.849 -12.321 444 2HD1 ILE 60 3HD1 ILE 60 11.160 2.103 -12.393 445 3HD1 ILE 60 2HD1 ILE 60 9.775 3.171 -12.166 446 HA PRO 61 HA PRO 61 13.071 2.382 -5.573 447 1HB PRO 61 2HB PRO 61 11.530 1.041 -3.761 448 2HB PRO 61 1HB PRO 61 11.904 2.767 -3.642 449 1HG PRO 61 2HG PRO 61 9.367 1.446 -4.384 450 2HG PRO 61 1HG PRO 61 9.642 3.058 -3.708 451 1HD PRO 61 2HD PRO 61 9.099 2.416 -6.434 452 2HD PRO 61 1HD PRO 61 9.561 4.005 -5.780 453 H ASP 62 H ASP 62 13.808 0.930 -7.167 454 HA ASP 62 HA ASP 62 12.364 -1.403 -7.959 455 1HB ASP 62 2HB ASP 62 15.118 -0.349 -8.391 456 2HB ASP 62 1HB ASP 62 14.828 -2.062 -8.693 457 H ASP 63 H ASP 63 14.277 -0.689 -5.186 458 HA ASP 63 HA ASP 63 15.293 -3.290 -4.667 459 1HB ASP 63 2HB ASP 63 15.790 -0.904 -3.559 460 2HB ASP 63 1HB ASP 63 14.628 -1.510 -2.379 461 H VAL 64 H VAL 64 12.710 -1.588 -2.878 462 HA VAL 64 HA VAL 64 11.688 -4.038 -1.805 463 HB VAL 64 HB VAL 64 11.511 -1.885 -0.606 464 1HG1 VAL 64 2HG1 VAL 64 10.974 -0.611 -2.790 465 2HG1 VAL 64 1HG1 VAL 64 9.308 -1.121 -2.516 466 3HG1 VAL 64 3HG1 VAL 64 10.130 -0.114 -1.324 467 1HG2 VAL 64 1HG2 VAL 64 9.776 -3.905 -0.526 468 2HG2 VAL 64 3HG2 VAL 64 9.497 -2.426 0.395 469 3HG2 VAL 64 2HG2 VAL 64 8.678 -2.673 -1.148 470 H ALA 65 H ALA 65 10.593 -1.805 -4.334 471 HA ALA 65 HA ALA 65 8.181 -3.154 -4.947 472 1HB ALA 65 3HB ALA 65 8.908 -0.804 -5.682 473 2HB ALA 65 2HB ALA 65 9.812 -1.614 -6.961 474 3HB ALA 65 1HB ALA 65 8.060 -1.788 -6.873 475 H GLY 66 H GLY 66 11.503 -3.642 -5.936 476 1HA GLY 66 2HA GLY 66 10.865 -5.449 -8.095 477 2HA GLY 66 1HA GLY 66 12.467 -5.130 -7.435 478 H ARG 67 H ARG 67 11.524 -5.713 -4.668 479 HA ARG 67 HA ARG 67 11.414 -8.662 -4.910 480 1HB ARG 67 2HB ARG 67 12.892 -6.865 -3.006 481 2HB ARG 67 1HB ARG 67 12.470 -8.513 -2.536 482 1HG ARG 67 2HG ARG 67 13.496 -9.135 -4.880 483 2HG ARG 67 1HG ARG 67 14.313 -7.581 -4.714 484 1HD ARG 67 2HD ARG 67 15.310 -8.256 -2.618 485 2HD ARG 67 1HD ARG 67 14.362 -9.738 -2.591 486 HE ARG 67 HE ARG 67 15.759 -10.613 -4.317 487 1HH1 ARG 67 1HH2 ARG 67 16.570 -8.497 -6.054 488 2HH1 ARG 67 2HH2 ARG 67 18.166 -8.067 -5.538 489 1HH2 ARG 67 2HH1 ARG 67 17.863 -9.593 -2.439 490 2HH2 ARG 67 1HH1 ARG 67 18.898 -8.687 -3.491 491 H VAL 68 H VAL 68 9.060 -7.104 -4.905 492 HA VAL 68 HA VAL 68 7.993 -7.151 -2.200 493 HB VAL 68 HB VAL 68 7.320 -5.365 -3.795 494 1HG1 VAL 68 2HG1 VAL 68 7.281 -7.020 -5.783 495 2HG1 VAL 68 1HG1 VAL 68 5.669 -7.454 -5.218 496 3HG1 VAL 68 3HG1 VAL 68 6.011 -5.799 -5.718 497 1HG2 VAL 68 3HG2 VAL 68 5.830 -6.491 -1.903 498 2HG2 VAL 68 2HG2 VAL 68 5.161 -5.253 -2.966 499 3HG2 VAL 68 1HG2 VAL 68 4.839 -6.957 -3.285 500 H ASP 69 H ASP 69 7.340 -8.980 -1.308 501 HA ASP 69 HA ASP 69 6.538 -11.231 -3.003 502 1HB ASP 69 2HB ASP 69 7.148 -10.987 -0.055 503 2HB ASP 69 1HB ASP 69 6.487 -12.455 -0.775 504 H THR 70 H THR 70 5.189 -8.911 -0.761 505 HA THR 70 HA THR 70 2.553 -10.230 -1.036 506 HB THR 70 HB THR 70 2.069 -8.652 1.023 507 HG1 THR 70 HG1 THR 70 3.976 -8.496 2.294 508 1HG2 THR 70 2HG2 THR 70 2.259 -11.257 0.786 509 2HG2 THR 70 1HG2 THR 70 3.808 -11.033 1.598 510 3HG2 THR 70 3HG2 THR 70 2.315 -10.528 2.390 511 HA PRO 71 HA PRO 71 1.172 -6.605 -3.169 512 1HB PRO 71 2HB PRO 71 -1.502 -6.714 -2.637 513 2HB PRO 71 1HB PRO 71 -0.685 -7.807 -3.764 514 1HG PRO 71 2HG PRO 71 -1.638 -8.318 -0.996 515 2HG PRO 71 1HG PRO 71 -1.548 -9.424 -2.376 516 1HD PRO 71 2HD PRO 71 0.266 -9.342 -0.250 517 2HD PRO 71 1HD PRO 71 0.585 -10.077 -1.839 518 H ARG 72 H ARG 72 -0.144 -7.008 0.114 519 HA ARG 72 HA ARG 72 -1.034 -4.403 0.588 520 1HB ARG 72 2HB ARG 72 -1.074 -6.613 2.075 521 2HB ARG 72 1HB ARG 72 0.329 -5.840 2.816 522 1HG ARG 72 2HG ARG 72 -1.327 -4.862 4.087 523 2HG ARG 72 1HG ARG 72 -1.290 -3.711 2.750 524 1HD ARG 72 2HD ARG 72 -3.134 -4.879 1.652 525 2HD ARG 72 1HD ARG 72 -3.137 -6.108 2.910 526 HE ARG 72 HE ARG 72 -3.686 -3.282 3.589 527 1HH1 ARG 72 2HH1 ARG 72 -3.890 -5.447 5.670 528 2HH1 ARG 72 1HH1 ARG 72 -5.588 -5.785 5.688 529 1HH2 ARG 72 1HH2 ARG 72 -6.200 -4.227 2.651 530 2HH2 ARG 72 2HH2 ARG 72 -6.896 -5.094 3.980 531 H GLU 73 H GLU 73 2.204 -5.722 0.585 532 HA GLU 73 HA GLU 73 3.486 -3.557 1.932 533 1HB GLU 73 2HB GLU 73 4.357 -5.982 1.323 534 2HB GLU 73 1HB GLU 73 4.925 -5.170 -0.137 535 1HG GLU 73 2HG GLU 73 6.749 -4.858 1.272 536 2HG GLU 73 1HG GLU 73 5.834 -3.382 1.582 537 H LEU 74 H LEU 74 2.801 -4.315 -1.449 538 HA LEU 74 HA LEU 74 4.255 -2.251 -2.676 539 1HB LEU 74 2HB LEU 74 2.813 -4.267 -3.660 540 2HB LEU 74 1HB LEU 74 1.601 -2.995 -3.810 541 HG LEU 74 HG LEU 74 3.646 -1.634 -4.821 542 1HD1 LEU 74 2HD1 LEU 74 4.349 -4.532 -5.386 543 2HD1 LEU 74 1HD1 LEU 74 5.113 -3.133 -6.141 544 3HD1 LEU 74 3HD1 LEU 74 5.298 -3.412 -4.409 545 1HD2 LEU 74 1HD2 LEU 74 1.431 -2.480 -5.887 546 2HD2 LEU 74 3HD2 LEU 74 2.774 -2.104 -6.966 547 3HD2 LEU 74 2HD2 LEU 74 2.418 -3.781 -6.552 548 H LEU 75 H LEU 75 0.831 -2.322 -1.657 549 HA LEU 75 HA LEU 75 0.127 0.281 -2.391 550 1HB LEU 75 2HB LEU 75 -1.500 -1.408 -1.614 551 2HB LEU 75 1HB LEU 75 -0.844 -1.288 0.016 552 HG LEU 75 HG LEU 75 -1.386 1.237 -0.152 553 1HD1 LEU 75 3HD1 LEU 75 -1.768 1.256 -2.594 554 2HD1 LEU 75 2HD1 LEU 75 -3.136 0.164 -2.382 555 3HD1 LEU 75 1HD1 LEU 75 -3.199 1.796 -1.716 556 1HD2 LEU 75 2HD2 LEU 75 -2.695 -0.764 0.992 557 2HD2 LEU 75 1HD2 LEU 75 -3.412 0.844 0.900 558 3HD2 LEU 75 3HD2 LEU 75 -3.889 -0.401 -0.254 559 H ASP 76 H ASP 76 1.135 -0.818 0.857 560 HA ASP 76 HA ASP 76 1.298 1.707 2.048 561 1HB ASP 76 2HB ASP 76 2.699 -0.897 2.617 562 2HB ASP 76 1HB ASP 76 3.011 0.546 3.581 563 H LEU 77 H LEU 77 3.433 0.213 -0.237 564 HA LEU 77 HA LEU 77 5.799 1.668 0.434 565 1HB LEU 77 2HB LEU 77 5.351 -0.479 -1.126 566 2HB LEU 77 1HB LEU 77 5.380 0.769 -2.369 567 HG LEU 77 HG LEU 77 7.622 -0.141 -2.043 568 1HD1 LEU 77 3HD1 LEU 77 7.281 2.325 -2.507 569 2HD1 LEU 77 2HD1 LEU 77 7.511 2.608 -0.781 570 3HD1 LEU 77 1HD1 LEU 77 8.820 1.922 -1.743 571 1HD2 LEU 77 3HD2 LEU 77 6.989 -0.588 0.504 572 2HD2 LEU 77 2HD2 LEU 77 8.667 -0.361 0.012 573 3HD2 LEU 77 1HD2 LEU 77 7.769 0.977 0.728 574 H ILE 78 H ILE 78 3.805 1.930 -2.509 575 HA ILE 78 HA ILE 78 4.784 4.372 -3.415 576 HB ILE 78 HB ILE 78 1.982 3.256 -3.724 577 1HG1 ILE 78 2HG1 ILE 78 3.734 1.697 -4.479 578 2HG1 ILE 78 1HG1 ILE 78 2.856 2.355 -5.856 579 1HG2 ILE 78 2HG2 ILE 78 3.450 5.524 -5.033 580 2HG2 ILE 78 1HG2 ILE 78 2.258 4.609 -5.954 581 3HG2 ILE 78 3HG2 ILE 78 1.778 5.452 -4.482 582 1HD1 ILE 78 3HD1 ILE 78 4.965 4.163 -5.413 583 2HD1 ILE 78 2HD1 ILE 78 5.682 2.562 -5.223 584 3HD1 ILE 78 1HD1 ILE 78 4.845 2.981 -6.716 585 H ASN 79 H ASN 79 2.320 3.697 -1.041 586 HA ASN 79 HA ASN 79 1.069 6.166 -0.780 587 1HB ASN 79 2HB ASN 79 0.870 3.765 0.497 588 2HB ASN 79 1HB ASN 79 1.612 4.748 1.757 589 1HD2 ASN 79 2HD2 ASN 79 -2.270 5.094 1.324 590 2HD2 ASN 79 1HD2 ASN 79 -1.335 3.726 0.956 591 H GLY 80 H GLY 80 3.839 4.939 1.114 592 1HA GLY 80 2HA GLY 80 4.317 7.317 2.550 593 2HA GLY 80 1HA GLY 80 5.494 6.035 2.285 594 H ALA 81 H ALA 81 5.815 6.068 -0.427 595 HA ALA 81 HA ALA 81 7.661 8.132 -0.839 596 1HB ALA 81 1HB ALA 81 6.215 6.355 -2.807 597 2HB ALA 81 3HB ALA 81 7.501 7.469 -3.271 598 3HB ALA 81 2HB ALA 81 7.841 6.145 -2.158 599 H LEU 82 H LEU 82 4.214 8.102 -1.253 600 HA LEU 82 HA LEU 82 4.189 10.433 -2.994 601 1HB LEU 82 2HB LEU 82 2.439 8.405 -2.742 602 2HB LEU 82 1HB LEU 82 1.710 9.548 -1.613 603 HG LEU 82 HG LEU 82 2.597 10.658 -4.227 604 1HD1 LEU 82 3HD1 LEU 82 0.368 8.651 -3.900 605 2HD1 LEU 82 2HD1 LEU 82 0.276 9.909 -5.132 606 3HD1 LEU 82 1HD1 LEU 82 1.594 8.739 -5.165 607 1HD2 LEU 82 1HD2 LEU 82 0.280 11.000 -2.314 608 2HD2 LEU 82 3HD2 LEU 82 1.534 12.168 -2.725 609 3HD2 LEU 82 2HD2 LEU 82 0.290 11.760 -3.906 610 H ALA 83 H ALA 83 3.799 9.655 0.399 611 HA ALA 83 HA ALA 83 2.644 12.106 1.239 612 1HB ALA 83 2HB ALA 83 2.823 9.918 2.562 613 2HB ALA 83 1HB ALA 83 4.475 10.412 2.931 614 3HB ALA 83 3HB ALA 83 3.119 11.412 3.450 615 H GLU 84 H GLU 84 5.974 11.034 0.789 616 HA GLU 84 HA GLU 84 7.282 13.188 2.048 617 1HB GLU 84 2HB GLU 84 8.123 11.401 -0.240 618 2HB GLU 84 1HB GLU 84 9.187 12.610 0.480 619 1HG GLU 84 2HG GLU 84 8.606 11.501 2.740 620 2HG GLU 84 1HG GLU 84 8.000 10.156 1.773 621 H ALA 85 H ALA 85 6.085 12.768 -1.254 622 HA ALA 85 HA ALA 85 7.164 15.143 -2.344 623 1HB ALA 85 3HB ALA 85 6.225 13.321 -3.730 624 2HB ALA 85 2HB ALA 85 4.613 13.711 -3.129 625 3HB ALA 85 1HB ALA 85 5.494 14.880 -4.113 626 H ALA 86 HN ALA 86 4.203 14.455 -0.572 627 HA ALA 86 HA ALA 86 3.785 17.353 -0.252 628 1HB ALA 86 2HB ALA 86 1.619 15.364 -0.977 629 2HB ALA 86 1HB ALA 86 1.350 17.053 -0.547 630 3HB ALA 86 3HB ALA 86 2.237 16.647 -2.017 No H/Q in entry = 630 Start of MODEL 5 1 1H MET 1 1H MET 1 -4.934 15.052 5.969 2 2H MET 1 3H MET 1 -5.557 14.087 7.216 3 3H MET 1 2H MET 1 -4.312 13.492 6.226 4 HA MET 1 HA MET 1 -6.241 12.451 5.441 5 1HB MET 1 2HB MET 1 -7.642 14.317 6.674 6 2HB MET 1 1HB MET 1 -7.641 15.082 5.085 7 1HG MET 1 2HG MET 1 -8.836 13.335 4.095 8 2HG MET 1 1HG MET 1 -8.356 12.173 5.333 9 1HE MET 1 1HE MET 1 -11.007 12.804 3.950 10 2HE MET 1 3HE MET 1 -11.311 11.614 5.223 11 3HE MET 1 2HE MET 1 -12.313 13.058 5.104 12 H ALA 2 H ALA 2 -3.875 13.364 4.283 13 HA ALA 2 HA ALA 2 -4.782 14.342 1.640 14 1HB ALA 2 2HB ALA 2 -2.118 14.669 3.036 15 2HB ALA 2 1HB ALA 2 -2.380 15.052 1.333 16 3HB ALA 2 3HB ALA 2 -3.254 15.940 2.581 17 H THR 3 H THR 3 -5.300 11.866 1.670 18 HA THR 3 HA THR 3 -2.945 10.273 0.925 19 HB THR 3 HB THR 3 -5.774 9.251 1.067 20 HG1 THR 3 HG1 THR 3 -5.705 9.730 3.099 21 1HG2 THR 3 1HG2 THR 3 -2.997 8.099 1.198 22 2HG2 THR 3 3HG2 THR 3 -4.367 7.218 1.875 23 3HG2 THR 3 2HG2 THR 3 -4.341 7.626 0.159 24 H LEU 4 H LEU 4 -2.732 9.289 -1.075 25 HA LEU 4 HA LEU 4 -4.516 10.349 -3.187 26 1HB LEU 4 2HB LEU 4 -1.718 10.564 -2.937 27 2HB LEU 4 1HB LEU 4 -1.978 9.355 -4.190 28 HG LEU 4 HG LEU 4 -1.870 11.610 -5.168 29 1HD1 LEU 4 3HD1 LEU 4 -3.537 9.752 -5.943 30 2HD1 LEU 4 2HD1 LEU 4 -4.772 10.823 -5.285 31 3HD1 LEU 4 1HD1 LEU 4 -3.722 11.383 -6.585 32 1HD2 LEU 4 1HD2 LEU 4 -2.936 12.566 -2.936 33 2HD2 LEU 4 3HD2 LEU 4 -3.187 13.396 -4.473 34 3HD2 LEU 4 2HD2 LEU 4 -4.446 12.348 -3.821 35 H LEU 5 H LEU 5 -2.362 7.590 -2.469 36 HA LEU 5 HA LEU 5 -3.930 5.898 -4.266 37 1HB LEU 5 2HB LEU 5 -1.226 5.946 -3.510 38 2HB LEU 5 1HB LEU 5 -1.879 4.494 -2.753 39 HG LEU 5 HG LEU 5 -2.866 3.848 -4.964 40 1HD1 LEU 5 1HD1 LEU 5 -2.644 6.401 -5.686 41 2HD1 LEU 5 3HD1 LEU 5 -1.078 5.853 -6.278 42 3HD1 LEU 5 2HD1 LEU 5 -2.558 5.108 -6.881 43 1HD2 LEU 5 1HD2 LEU 5 -0.386 3.386 -4.056 44 2HD2 LEU 5 3HD2 LEU 5 -0.913 2.821 -5.641 45 3HD2 LEU 5 2HD2 LEU 5 0.036 4.301 -5.505 46 H THR 6 H THR 6 -5.193 4.211 -3.646 47 HA THR 6 HA THR 6 -5.538 3.773 -0.742 48 HB THR 6 HB THR 6 -7.387 5.166 -1.398 49 HG1 THR 6 HG1 THR 6 -9.053 3.772 -0.911 50 1HG2 THR 6 1HG2 THR 6 -7.176 4.746 -3.848 51 2HG2 THR 6 3HG2 THR 6 -7.911 3.162 -3.609 52 3HG2 THR 6 2HG2 THR 6 -8.840 4.623 -3.278 53 H THR 7 H THR 7 -6.815 1.747 -0.300 54 HA THR 7 HA THR 7 -5.538 -0.500 -1.378 55 HB THR 7 HB THR 7 -8.232 -0.350 0.004 56 HG1 THR 7 HG1 THR 7 -5.675 -0.962 1.059 57 1HG2 THR 7 3HG2 THR 7 -6.313 -2.666 -0.376 58 2HG2 THR 7 2HG2 THR 7 -7.801 -2.710 0.571 59 3HG2 THR 7 1HG2 THR 7 -7.873 -2.484 -1.177 60 H ASP 8 H ASP 8 -8.484 1.155 -2.309 61 HA ASP 8 HA ASP 8 -9.653 -0.737 -4.007 62 1HB ASP 8 2HB ASP 8 -9.661 2.257 -3.918 63 2HB ASP 8 1HB ASP 8 -10.345 1.443 -5.326 64 H ASP 9 H ASP 9 -7.112 1.646 -4.625 65 HA ASP 9 HA ASP 9 -6.789 1.077 -7.395 66 1HB ASP 9 2HB ASP 9 -5.846 3.054 -5.889 67 2HB ASP 9 1HB ASP 9 -4.466 1.966 -5.735 68 H LEU 10 H LEU 10 -5.505 -0.261 -4.419 69 HA LEU 10 HA LEU 10 -3.369 -1.806 -5.272 70 1HB LEU 10 2HB LEU 10 -4.476 -1.528 -2.909 71 2HB LEU 10 1HB LEU 10 -5.393 -2.958 -3.375 72 HG LEU 10 HG LEU 10 -2.368 -2.815 -3.482 73 1HD1 LEU 10 1HD1 LEU 10 -4.253 -3.789 -1.319 74 2HD1 LEU 10 3HD1 LEU 10 -2.566 -4.293 -1.411 75 3HD1 LEU 10 2HD1 LEU 10 -2.967 -2.593 -1.167 76 1HD2 LEU 10 1HD2 LEU 10 -4.434 -5.008 -3.770 77 2HD2 LEU 10 3HD2 LEU 10 -3.167 -4.551 -4.909 78 3HD2 LEU 10 2HD2 LEU 10 -2.746 -5.361 -3.400 79 H ARG 11 H ARG 11 -6.748 -2.909 -4.987 80 HA ARG 11 HA ARG 11 -6.394 -5.400 -6.242 81 1HB ARG 11 2HB ARG 11 -8.470 -4.177 -4.974 82 2HB ARG 11 1HB ARG 11 -9.014 -4.085 -6.647 83 1HG ARG 11 2HG ARG 11 -7.866 -6.695 -5.843 84 2HG ARG 11 1HG ARG 11 -9.384 -6.269 -5.054 85 1HD ARG 11 2HD ARG 11 -9.017 -6.039 -8.042 86 2HD ARG 11 1HD ARG 11 -9.558 -7.532 -7.282 87 HE ARG 11 HE ARG 11 -11.057 -5.071 -6.697 88 1HH1 ARG 11 2HH1 ARG 11 -12.323 -7.616 -6.003 89 2HH1 ARG 11 1HH1 ARG 11 -13.333 -7.965 -7.367 90 1HH2 ARG 11 1HH2 ARG 11 -11.712 -5.738 -9.474 91 2HH2 ARG 11 2HH2 ARG 11 -12.988 -6.903 -9.330 92 H ARG 12 H ARG 12 -7.495 -2.290 -7.548 93 HA ARG 12 HA ARG 12 -8.050 -3.041 -10.166 94 1HB ARG 12 2HB ARG 12 -7.254 -0.507 -8.837 95 2HB ARG 12 1HB ARG 12 -7.092 -0.568 -10.592 96 1HG ARG 12 2HG ARG 12 -9.622 -1.649 -9.461 97 2HG ARG 12 1HG ARG 12 -9.403 0.099 -9.369 98 1HD ARG 12 2HD ARG 12 -8.586 -0.399 -11.931 99 2HD ARG 12 1HD ARG 12 -9.829 -1.629 -11.728 100 HE ARG 12 HE ARG 12 -11.127 0.533 -10.839 101 1HH1 ARG 12 2HH1 ARG 12 -8.637 1.412 -12.822 102 2HH1 ARG 12 1HH1 ARG 12 -9.601 2.019 -14.126 103 1HH2 ARG 12 1HH2 ARG 12 -12.574 0.751 -12.868 104 2HH2 ARG 12 2HH2 ARG 12 -11.831 1.645 -14.152 105 H ALA 13 H ALA 13 -4.957 -2.725 -8.606 106 HA ALA 13 HA ALA 13 -3.474 -2.569 -11.099 107 1HB ALA 13 3HB ALA 13 -2.794 -1.590 -8.781 108 2HB ALA 13 2HB ALA 13 -2.239 -3.229 -8.444 109 3HB ALA 13 1HB ALA 13 -1.555 -2.327 -9.796 110 H LEU 14 H LEU 14 -4.178 -4.981 -8.607 111 HA LEU 14 HA LEU 14 -2.494 -7.019 -9.624 112 1HB LEU 14 2HB LEU 14 -4.783 -6.906 -7.724 113 2HB LEU 14 1HB LEU 14 -4.354 -8.482 -8.392 114 HG LEU 14 HG LEU 14 -2.254 -6.649 -7.237 115 1HD1 LEU 14 3HD1 LEU 14 -4.257 -8.359 -5.836 116 2HD1 LEU 14 2HD1 LEU 14 -2.593 -8.418 -5.250 117 3HD1 LEU 14 1HD1 LEU 14 -3.460 -6.883 -5.290 118 1HD2 LEU 14 3HD2 LEU 14 -2.488 -9.515 -8.080 119 2HD2 LEU 14 2HD2 LEU 14 -1.175 -8.371 -8.360 120 3HD2 LEU 14 1HD2 LEU 14 -1.374 -9.114 -6.772 121 H VAL 15 H VAL 15 -5.661 -5.903 -10.566 122 HA VAL 15 HA VAL 15 -6.295 -8.281 -12.094 123 HB VAL 15 HB VAL 15 -7.624 -5.563 -12.200 124 1HG1 VAL 15 3HG1 VAL 15 -8.441 -8.353 -13.056 125 2HG1 VAL 15 2HG1 VAL 15 -9.579 -7.012 -12.919 126 3HG1 VAL 15 1HG1 VAL 15 -8.255 -6.929 -14.081 127 1HG2 VAL 15 2HG2 VAL 15 -7.730 -7.779 -10.223 128 2HG2 VAL 15 1HG2 VAL 15 -8.078 -6.064 -10.010 129 3HG2 VAL 15 3HG2 VAL 15 -9.287 -7.125 -10.729 130 H GLU 16 H GLU 16 -4.931 -5.099 -12.662 131 HA GLU 16 HA GLU 16 -5.101 -5.075 -15.484 132 1HB GLU 16 2HB GLU 16 -3.387 -3.666 -13.468 133 2HB GLU 16 1HB GLU 16 -2.976 -3.555 -15.181 134 1HG GLU 16 2HG GLU 16 -5.549 -3.016 -15.447 135 2HG GLU 16 1HG GLU 16 -5.415 -2.555 -13.750 136 H CYS 17 H CYS 17 -2.632 -6.291 -13.256 137 HA CYS 17 HA CYS 17 -0.737 -7.019 -15.249 138 1HB CYS 17 2HB CYS 17 -1.161 -8.017 -12.424 139 2HB CYS 17 1HB CYS 17 0.199 -8.499 -13.441 140 HG CYS 17 HG CYS 17 0.892 -6.383 -12.008 141 H ALA 18 H ALA 18 -3.043 -8.990 -13.369 142 HA ALA 18 HA ALA 18 -3.421 -10.739 -15.678 143 1HB ALA 18 3HB ALA 18 -1.490 -11.709 -14.420 144 2HB ALA 18 2HB ALA 18 -2.539 -11.867 -13.012 145 3HB ALA 18 1HB ALA 18 -2.894 -12.776 -14.480 146 H GLY 19 H GLY 19 -5.555 -10.058 -15.710 147 1HA GLY 19 2HA GLY 19 -7.277 -9.923 -13.476 148 2HA GLY 19 1HA GLY 19 -7.792 -10.072 -15.154 149 H GLU 20 H GLU 20 -7.177 -11.734 -12.184 150 HA GLU 20 HA GLU 20 -8.445 -14.149 -13.302 151 1HB GLU 20 2HB GLU 20 -5.790 -14.165 -12.886 152 2HB GLU 20 1HB GLU 20 -6.330 -14.566 -11.255 153 1HG GLU 20 2HG GLU 20 -7.134 -16.611 -11.879 154 2HG GLU 20 1HG GLU 20 -7.708 -16.022 -13.439 155 H THR 21 H THR 21 -9.283 -15.593 -11.578 156 HA THR 21 HA THR 21 -9.543 -14.783 -8.890 157 HB THR 21 HB THR 21 -10.865 -12.926 -9.688 158 HG1 THR 21 HG1 THR 21 -11.623 -14.169 -7.873 159 1HG2 THR 21 3HG2 THR 21 -11.387 -14.168 -11.899 160 2HG2 THR 21 2HG2 THR 21 -12.752 -14.859 -11.023 161 3HG2 THR 21 1HG2 THR 21 -12.634 -13.112 -11.236 162 H ASP 22 H ASP 22 -9.788 -16.685 -7.957 163 HA ASP 22 HA ASP 22 -11.274 -18.807 -9.346 164 1HB ASP 22 2HB ASP 22 -9.255 -18.785 -7.120 165 2HB ASP 22 1HB ASP 22 -10.304 -20.181 -7.363 166 H GLY 23 H GLY 23 -12.551 -16.496 -7.913 167 1HA GLY 23 2HA GLY 23 -14.861 -17.120 -7.038 168 2HA GLY 23 1HA GLY 23 -13.974 -17.990 -5.792 169 H THR 24 H THR 24 -11.864 -15.946 -5.651 170 HA THR 24 HA THR 24 -11.354 -14.039 -4.482 171 HB THR 24 HB THR 24 -14.097 -12.926 -4.773 172 HG1 THR 24 HG1 THR 24 -13.809 -12.575 -6.931 173 1HG2 THR 24 3HG2 THR 24 -11.301 -11.859 -5.244 174 2HG2 THR 24 2HG2 THR 24 -12.782 -10.907 -5.338 175 3HG2 THR 24 1HG2 THR 24 -12.276 -11.600 -3.797 176 H ASP 25 H ASP 25 -11.246 -13.712 -2.360 177 HA ASP 25 HA ASP 25 -13.544 -14.568 -0.701 178 1HB ASP 25 2HB ASP 25 -10.593 -14.789 -0.049 179 2HB ASP 25 1HB ASP 25 -11.917 -15.228 1.031 180 H LEU 26 H LEU 26 -14.018 -12.184 -1.193 181 HA LEU 26 HA LEU 26 -12.469 -10.323 0.451 182 1HB LEU 26 2HB LEU 26 -13.573 -9.919 -1.945 183 2HB LEU 26 1HB LEU 26 -14.960 -9.473 -0.949 184 HG LEU 26 HG LEU 26 -13.024 -8.149 0.385 185 1HD1 LEU 26 2HD1 LEU 26 -11.333 -8.971 -1.312 186 2HD1 LEU 26 1HD1 LEU 26 -12.167 -7.988 -2.516 187 3HD1 LEU 26 3HD1 LEU 26 -11.398 -7.218 -1.129 188 1HD2 LEU 26 3HD2 LEU 26 -15.144 -7.234 -0.573 189 2HD2 LEU 26 2HD2 LEU 26 -13.776 -6.146 -0.799 190 3HD2 LEU 26 1HD2 LEU 26 -14.354 -7.126 -2.145 191 H SER 27 H SER 27 -13.195 -11.691 2.356 192 HA SER 27 HA SER 27 -15.703 -10.551 3.425 193 1HB SER 27 2HB SER 27 -15.605 -13.138 2.744 194 2HB SER 27 1HB SER 27 -14.874 -13.259 4.342 195 HG SER 27 HG SER 27 -17.258 -13.383 4.189 196 H GLY 28 H GLY 28 -12.949 -9.677 3.718 197 1HA GLY 28 2HA GLY 28 -12.888 -9.335 6.552 198 2HA GLY 28 1HA GLY 28 -11.646 -10.471 6.030 199 H ASP 29 H ASP 29 -10.404 -9.648 4.007 200 HA ASP 29 HA ASP 29 -9.987 -6.744 4.080 201 1HB ASP 29 2HB ASP 29 -7.888 -8.812 4.731 202 2HB ASP 29 1HB ASP 29 -7.468 -7.200 4.150 203 H PHE 30 H PHE 30 -8.159 -9.483 2.814 204 HA PHE 30 HA PHE 30 -8.285 -10.368 0.611 205 1HB PHE 30 2HB PHE 30 -8.943 -9.235 -1.264 206 2HB PHE 30 1HB PHE 30 -9.862 -8.381 -0.046 207 HD1 PHE 30 HD2 PHE 30 -7.646 -6.650 1.122 208 HD2 PHE 30 HD1 PHE 30 -8.630 -7.599 -2.945 209 HE1 PHE 30 HE2 PHE 30 -6.588 -4.556 0.389 210 HE2 PHE 30 HE1 PHE 30 -7.553 -5.489 -3.685 211 HZ PHE 30 HZ PHE 30 -6.528 -3.969 -2.008 212 H LEU 31 H LEU 31 -6.210 -9.261 2.480 213 HA LEU 31 HA LEU 31 -4.075 -9.022 0.453 214 1HB LEU 31 2HB LEU 31 -4.140 -7.629 3.147 215 2HB LEU 31 1HB LEU 31 -2.848 -7.526 1.948 216 HG LEU 31 HG LEU 31 -5.719 -6.666 1.539 217 1HD1 LEU 31 1HD1 LEU 31 -3.177 -5.102 1.957 218 2HD1 LEU 31 3HD1 LEU 31 -4.642 -4.389 1.280 219 3HD1 LEU 31 2HD1 LEU 31 -4.652 -5.044 2.920 220 1HD2 LEU 31 2HD2 LEU 31 -3.570 -7.265 -0.330 221 2HD2 LEU 31 1HD2 LEU 31 -5.258 -6.913 -0.666 222 3HD2 LEU 31 3HD2 LEU 31 -4.101 -5.594 -0.493 223 H ASP 32 H ASP 32 -3.038 -9.124 3.753 224 HA ASP 32 HA ASP 32 -1.589 -10.688 4.706 225 1HB ASP 32 2HB ASP 32 -4.330 -11.889 4.518 226 2HB ASP 32 1HB ASP 32 -3.013 -12.811 5.245 227 H LEU 33 H LEU 33 -0.528 -10.747 2.384 228 HA LEU 33 HA LEU 33 0.716 -12.049 0.942 229 1HB LEU 33 2HB LEU 33 0.100 -13.872 3.066 230 2HB LEU 33 1HB LEU 33 -0.126 -14.725 1.542 231 HG LEU 33 HG LEU 33 2.189 -14.963 2.306 232 1HD1 LEU 33 1HD1 LEU 33 1.461 -14.405 -0.202 233 2HD1 LEU 33 3HD1 LEU 33 2.475 -12.990 0.083 234 3HD1 LEU 33 2HD1 LEU 33 3.155 -14.608 0.243 235 1HD2 LEU 33 1HD2 LEU 33 1.896 -12.040 2.702 236 2HD2 LEU 33 3HD2 LEU 33 2.887 -13.203 3.582 237 3HD2 LEU 33 2HD2 LEU 33 3.445 -12.558 2.039 238 H ARG 34 H ARG 34 0.035 -11.928 -1.074 239 HA ARG 34 HA ARG 34 -2.270 -13.536 -1.925 240 1HB ARG 34 2HB ARG 34 -3.096 -11.235 -1.359 241 2HB ARG 34 1HB ARG 34 -2.045 -10.597 -2.622 242 1HG ARG 34 2HG ARG 34 -3.191 -12.048 -4.279 243 2HG ARG 34 1HG ARG 34 -4.271 -12.618 -3.007 244 1HD ARG 34 2HD ARG 34 -4.474 -9.889 -2.740 245 2HD ARG 34 1HD ARG 34 -4.284 -10.070 -4.481 246 HE ARG 34 HE ARG 34 -6.272 -11.806 -3.230 247 1HH1 ARG 34 2HH1 ARG 34 -6.099 -8.503 -3.776 248 2HH1 ARG 34 1HH1 ARG 34 -7.461 -8.414 -4.843 249 1HH2 ARG 34 1HH2 ARG 34 -7.813 -11.853 -5.108 250 2HH2 ARG 34 2HH2 ARG 34 -8.431 -10.310 -5.598 251 H PHE 35 H PHE 35 0.420 -11.413 -2.891 252 HA PHE 35 HA PHE 35 0.452 -11.989 -5.634 253 1HB PHE 35 2HB PHE 35 2.555 -11.140 -3.671 254 2HB PHE 35 1HB PHE 35 3.022 -11.584 -5.309 255 HD1 PHE 35 HD2 PHE 35 0.043 -9.762 -3.912 256 HD2 PHE 35 HD1 PHE 35 3.427 -9.657 -6.565 257 HE1 PHE 35 HE2 PHE 35 -0.652 -7.523 -4.713 258 HE2 PHE 35 HE1 PHE 35 2.725 -7.419 -7.359 259 HZ PHE 35 HZ PHE 35 0.692 -6.352 -6.437 260 H GLU 36 H GLU 36 1.654 -13.791 -2.878 261 HA GLU 36 HA GLU 36 3.150 -15.694 -4.447 262 1HB GLU 36 2HB GLU 36 3.439 -15.022 -1.925 263 2HB GLU 36 1HB GLU 36 2.213 -16.263 -1.659 264 1HG GLU 36 2HG GLU 36 3.774 -17.674 -3.279 265 2HG GLU 36 1HG GLU 36 5.005 -16.550 -2.699 266 H ASP 37 H ASP 37 -0.109 -15.421 -3.211 267 HA ASP 37 HA ASP 37 -0.962 -18.073 -3.265 268 1HB ASP 37 2HB ASP 37 -2.266 -15.996 -2.524 269 2HB ASP 37 1HB ASP 37 -2.677 -15.786 -4.226 270 H ILE 38 H ILE 38 -0.372 -15.848 -5.898 271 HA ILE 38 HA ILE 38 -1.277 -17.912 -7.819 272 HB ILE 38 HB ILE 38 -0.691 -15.182 -8.839 273 1HG1 ILE 38 2HG1 ILE 38 -3.287 -14.783 -8.188 274 2HG1 ILE 38 1HG1 ILE 38 -2.778 -15.713 -6.779 275 1HG2 ILE 38 2HG2 ILE 38 -1.930 -17.520 -9.754 276 2HG2 ILE 38 1HG2 ILE 38 -3.261 -16.391 -9.498 277 3HG2 ILE 38 3HG2 ILE 38 -1.923 -15.952 -10.559 278 1HD1 ILE 38 3HD1 ILE 38 -0.745 -14.081 -6.733 279 2HD1 ILE 38 2HD1 ILE 38 -1.751 -13.059 -7.758 280 3HD1 ILE 38 1HD1 ILE 38 -2.303 -13.502 -6.143 281 H GLY 39 H GLY 39 0.037 -17.494 -10.023 282 1HA GLY 39 2HA GLY 39 2.824 -17.976 -9.292 283 2HA GLY 39 1HA GLY 39 2.091 -18.275 -10.865 284 H TYR 40 H TYR 40 2.366 -15.391 -8.771 285 HA TYR 40 HA TYR 40 2.849 -13.686 -11.047 286 1HB TYR 40 2HB TYR 40 2.458 -13.316 -8.135 287 2HB TYR 40 1HB TYR 40 3.518 -12.135 -8.903 288 HD1 TYR 40 HD2 TYR 40 2.694 -10.749 -10.799 289 HD2 TYR 40 HD1 TYR 40 0.094 -13.378 -8.613 290 HE1 TYR 40 HE2 TYR 40 0.720 -9.582 -11.742 291 HE2 TYR 40 HE1 TYR 40 -1.880 -12.210 -9.557 292 HH TYR 40 HH TYR 40 -1.984 -9.401 -10.691 293 H ASP 41 H ASP 41 4.717 -13.889 -12.083 294 HA ASP 41 HA ASP 41 7.142 -14.822 -11.016 295 1HB ASP 41 2HB ASP 41 8.180 -13.969 -13.055 296 2HB ASP 41 1HB ASP 41 6.648 -14.745 -13.431 297 H SER 42 H SER 42 5.754 -11.641 -11.215 298 HA SER 42 HA SER 42 6.167 -9.817 -9.804 299 1HB SER 42 2HB SER 42 8.997 -10.759 -9.355 300 2HB SER 42 1HB SER 42 8.081 -9.575 -8.429 301 HG SER 42 HG SER 42 8.293 -11.898 -7.662 302 H LEU 43 H LEU 43 8.286 -11.000 -12.296 303 HA LEU 43 HA LEU 43 9.566 -8.497 -12.848 304 1HB LEU 43 2HB LEU 43 10.292 -10.896 -13.553 305 2HB LEU 43 1HB LEU 43 9.180 -10.657 -14.901 306 HG LEU 43 HG LEU 43 10.448 -8.341 -15.113 307 1HD1 LEU 43 3HD1 LEU 43 11.814 -8.683 -13.085 308 2HD1 LEU 43 2HD1 LEU 43 12.498 -10.147 -13.792 309 3HD1 LEU 43 1HD1 LEU 43 12.833 -8.575 -14.519 310 1HD2 LEU 43 3HD2 LEU 43 11.363 -11.069 -16.030 311 2HD2 LEU 43 2HD2 LEU 43 10.476 -9.849 -16.942 312 3HD2 LEU 43 1HD2 LEU 43 12.180 -9.600 -16.563 313 H ALA 44 H ALA 44 6.564 -10.023 -13.784 314 HA ALA 44 HA ALA 44 6.028 -8.322 -16.030 315 1HB ALA 44 3HB ALA 44 4.979 -10.659 -15.303 316 2HB ALA 44 2HB ALA 44 3.803 -9.606 -14.515 317 3HB ALA 44 1HB ALA 44 4.061 -9.493 -16.256 318 H LEU 45 H LEU 45 4.774 -8.454 -12.689 319 HA LEU 45 HA LEU 45 3.258 -6.050 -12.958 320 1HB LEU 45 2HB LEU 45 2.922 -6.197 -10.545 321 2HB LEU 45 1HB LEU 45 2.689 -7.773 -11.293 322 HG LEU 45 HG LEU 45 5.343 -7.914 -10.736 323 1HD1 LEU 45 1HD1 LEU 45 4.859 -5.574 -9.558 324 2HD1 LEU 45 3HD1 LEU 45 4.292 -6.619 -8.256 325 3HD1 LEU 45 2HD1 LEU 45 5.956 -6.748 -8.827 326 1HD2 LEU 45 2HD2 LEU 45 2.851 -8.716 -9.316 327 2HD2 LEU 45 1HD2 LEU 45 4.165 -9.718 -9.930 328 3HD2 LEU 45 3HD2 LEU 45 4.352 -8.860 -8.402 329 H MET 46 H MET 46 6.594 -6.548 -12.662 330 HA MET 46 HA MET 46 7.224 -4.252 -11.051 331 1HB MET 46 2HB MET 46 8.749 -6.218 -11.297 332 2HB MET 46 1HB MET 46 9.005 -5.762 -12.981 333 1HG MET 46 2HG MET 46 9.990 -3.654 -12.338 334 2HG MET 46 1HG MET 46 9.544 -3.903 -10.649 335 1HE MET 46 1HE MET 46 10.895 -5.515 -13.609 336 2HE MET 46 3HE MET 46 12.545 -4.926 -13.364 337 3HE MET 46 2HE MET 46 12.164 -6.628 -13.107 338 H GLU 47 H GLU 47 7.336 -4.990 -14.534 339 HA GLU 47 HA GLU 47 8.235 -2.427 -15.351 340 1HB GLU 47 2HB GLU 47 6.706 -4.566 -16.847 341 2HB GLU 47 1HB GLU 47 7.362 -3.113 -17.601 342 1HG GLU 47 2HG GLU 47 9.605 -3.836 -16.481 343 2HG GLU 47 1HG GLU 47 8.839 -5.420 -16.356 344 H THR 48 H THR 48 4.989 -3.869 -15.182 345 HA THR 48 HA THR 48 3.555 -1.674 -16.205 346 HB THR 48 HB THR 48 2.579 -3.625 -14.109 347 HG1 THR 48 HG1 THR 48 1.977 -4.877 -15.896 348 1HG2 THR 48 1HG2 THR 48 1.177 -1.990 -16.242 349 2HG2 THR 48 3HG2 THR 48 0.394 -3.193 -15.218 350 3HG2 THR 48 2HG2 THR 48 1.080 -1.736 -14.499 351 H ALA 49 H ALA 49 4.432 -2.534 -12.878 352 HA ALA 49 HA ALA 49 3.107 -0.379 -11.610 353 1HB ALA 49 2HB ALA 49 5.520 -1.987 -10.746 354 2HB ALA 49 1HB ALA 49 4.666 -0.843 -9.712 355 3HB ALA 49 3HB ALA 49 3.837 -2.280 -10.305 356 H ALA 50 H ALA 50 6.188 -0.638 -13.236 357 HA ALA 50 HA ALA 50 7.415 1.683 -12.156 358 1HB ALA 50 3HB ALA 50 8.445 -0.235 -13.591 359 2HB ALA 50 2HB ALA 50 7.926 0.744 -14.964 360 3HB ALA 50 1HB ALA 50 9.062 1.405 -13.788 361 H ARG 51 H ARG 51 5.683 1.158 -15.232 362 HA ARG 51 HA ARG 51 5.759 3.836 -16.105 363 1HB ARG 51 2HB ARG 51 4.123 1.436 -16.776 364 2HB ARG 51 1HB ARG 51 3.522 3.011 -17.300 365 1HG ARG 51 2HG ARG 51 5.403 3.426 -18.640 366 2HG ARG 51 1HG ARG 51 6.393 2.246 -17.782 367 1HD ARG 51 2HD ARG 51 5.496 0.455 -18.922 368 2HD ARG 51 1HD ARG 51 3.944 1.249 -19.162 369 HE ARG 51 HE ARG 51 4.869 2.390 -21.045 370 1HH1 ARG 51 1HH2 ARG 51 7.741 2.493 -19.950 371 2HH1 ARG 51 2HH2 ARG 51 8.557 1.436 -21.053 372 1HH2 ARG 51 2HH1 ARG 51 5.635 0.030 -22.283 373 2HH2 ARG 51 1HH1 ARG 51 7.366 0.042 -22.374 374 H LEU 52 H LEU 52 3.601 2.131 -13.933 375 HA LEU 52 HA LEU 52 1.552 4.114 -13.848 376 1HB LEU 52 2HB LEU 52 1.274 1.737 -13.092 377 2HB LEU 52 1HB LEU 52 2.273 2.118 -11.690 378 HG LEU 52 HG LEU 52 0.007 3.965 -12.235 379 1HD1 LEU 52 2HD1 LEU 52 -0.318 1.083 -11.394 380 2HD1 LEU 52 1HD1 LEU 52 -1.478 2.321 -10.913 381 3HD1 LEU 52 3HD1 LEU 52 -1.219 1.971 -12.622 382 1HD2 LEU 52 2HD2 LEU 52 1.490 2.805 -9.898 383 2HD2 LEU 52 1HD2 LEU 52 1.147 4.494 -10.273 384 3HD2 LEU 52 3HD2 LEU 52 -0.129 3.453 -9.642 385 H GLU 53 H GLU 53 4.573 3.626 -12.141 386 HA GLU 53 HA GLU 53 4.129 5.472 -10.031 387 1HB GLU 53 2HB GLU 53 6.559 4.217 -11.258 388 2HB GLU 53 1HB GLU 53 6.748 5.546 -10.115 389 1HG GLU 53 2HG GLU 53 5.279 4.276 -8.511 390 2HG GLU 53 1HG GLU 53 5.334 2.912 -9.628 391 H SER 54 H SER 54 5.134 5.828 -13.359 392 HA SER 54 HA SER 54 6.265 8.423 -13.163 393 1HB SER 54 2HB SER 54 5.119 6.812 -15.425 394 2HB SER 54 1HB SER 54 5.579 8.495 -15.669 395 HG SER 54 HG SER 54 7.131 6.297 -15.472 396 H ARG 55 H ARG 55 2.979 7.249 -13.415 397 HA ARG 55 HA ARG 55 1.694 9.587 -14.296 398 1HB ARG 55 2HB ARG 55 0.621 7.328 -14.076 399 2HB ARG 55 1HB ARG 55 0.575 7.578 -12.330 400 1HG ARG 55 2HG ARG 55 -1.099 9.133 -12.458 401 2HG ARG 55 1HG ARG 55 -0.511 9.792 -13.985 402 1HD ARG 55 2HD ARG 55 -1.295 7.594 -15.050 403 2HD ARG 55 1HD ARG 55 -2.156 7.297 -13.543 404 HE ARG 55 HE ARG 55 -2.647 9.736 -15.156 405 1HH1 ARG 55 2HH1 ARG 55 -3.804 8.165 -12.487 406 2HH1 ARG 55 1HH1 ARG 55 -5.436 7.984 -13.037 407 1HH2 ARG 55 1HH2 ARG 55 -4.732 8.968 -16.285 408 2HH2 ARG 55 2HH2 ARG 55 -5.961 8.438 -15.186 409 H TYR 56 H TYR 56 1.844 8.384 -10.936 410 HA TYR 56 HA TYR 56 0.944 10.782 -9.760 411 1HB TYR 56 2HB TYR 56 2.771 8.789 -8.409 412 2HB TYR 56 1HB TYR 56 1.588 9.854 -7.656 413 HD1 TYR 56 HD2 TYR 56 -0.774 9.527 -9.405 414 HD2 TYR 56 HD1 TYR 56 2.030 6.599 -7.974 415 HE1 TYR 56 HE2 TYR 56 -2.496 7.759 -9.644 416 HE2 TYR 56 HE1 TYR 56 0.307 4.835 -8.217 417 HH TYR 56 HH TYR 56 -2.082 4.827 -9.962 418 H GLY 57 H GLY 57 4.111 9.737 -10.799 419 1HA GLY 57 2HA GLY 57 5.714 11.485 -11.383 420 2HA GLY 57 1HA GLY 57 5.193 12.355 -9.943 421 H VAL 58 H VAL 58 5.199 10.402 -8.025 422 HA VAL 58 HA VAL 58 7.914 10.261 -7.309 423 HB VAL 58 HB VAL 58 6.048 10.215 -5.688 424 1HG1 VAL 58 2HG1 VAL 58 5.621 7.434 -6.812 425 2HG1 VAL 58 1HG1 VAL 58 4.918 7.999 -5.297 426 3HG1 VAL 58 3HG1 VAL 58 4.469 8.770 -6.818 427 1HG2 VAL 58 1HG2 VAL 58 8.418 9.216 -5.314 428 2HG2 VAL 58 3HG2 VAL 58 7.153 8.857 -4.140 429 3HG2 VAL 58 2HG2 VAL 58 7.591 7.658 -5.359 430 H SER 59 H SER 59 9.191 8.339 -6.924 431 HA SER 59 HA SER 59 8.590 5.839 -8.154 432 1HB SER 59 2HB SER 59 10.167 5.904 -10.008 433 2HB SER 59 1HB SER 59 8.982 7.192 -10.204 434 HG SER 59 HG SER 59 11.206 7.843 -10.507 435 H ILE 60 H ILE 60 9.400 6.417 -5.645 436 HA ILE 60 HA ILE 60 12.269 6.205 -5.384 437 HB ILE 60 HB ILE 60 10.199 5.814 -3.215 438 1HG1 ILE 60 2HG1 ILE 60 11.642 8.367 -3.974 439 2HG1 ILE 60 1HG1 ILE 60 9.999 8.000 -4.497 440 1HG2 ILE 60 3HG2 ILE 60 13.135 6.560 -3.216 441 2HG2 ILE 60 2HG2 ILE 60 12.099 6.585 -1.789 442 3HG2 ILE 60 1HG2 ILE 60 12.432 5.061 -2.609 443 1HD1 ILE 60 3HD1 ILE 60 9.509 7.592 -1.986 444 2HD1 ILE 60 2HD1 ILE 60 11.017 8.460 -1.697 445 3HD1 ILE 60 1HD1 ILE 60 9.683 9.261 -2.527 446 HA PRO 61 HA PRO 61 11.272 1.719 -4.115 447 1HB PRO 61 2HB PRO 61 8.813 0.683 -4.698 448 2HB PRO 61 1HB PRO 61 9.204 1.495 -3.175 449 1HG PRO 61 2HG PRO 61 7.600 2.467 -5.468 450 2HG PRO 61 1HG PRO 61 7.504 2.907 -3.757 451 1HD PRO 61 2HD PRO 61 8.732 4.423 -5.808 452 2HD PRO 61 1HD PRO 61 8.875 4.701 -4.059 453 H ASP 62 H ASP 62 12.693 1.227 -5.794 454 HA ASP 62 HA ASP 62 11.549 0.595 -8.433 455 1HB ASP 62 2HB ASP 62 14.412 0.949 -7.516 456 2HB ASP 62 1HB ASP 62 13.948 0.462 -9.147 457 H ASP 63 H ASP 63 14.136 -0.781 -6.402 458 HA ASP 63 HA ASP 63 13.695 -3.424 -7.475 459 1HB ASP 63 2HB ASP 63 15.444 -4.094 -5.820 460 2HB ASP 63 1HB ASP 63 15.956 -2.788 -6.889 461 H VAL 64 H VAL 64 12.850 -1.669 -4.558 462 HA VAL 64 HA VAL 64 12.077 -3.851 -2.949 463 HB VAL 64 HB VAL 64 12.379 -1.556 -2.083 464 1HG1 VAL 64 1HG1 VAL 64 11.289 -0.425 -4.049 465 2HG1 VAL 64 3HG1 VAL 64 9.727 -0.940 -3.410 466 3HG1 VAL 64 2HG1 VAL 64 10.738 0.169 -2.483 467 1HG2 VAL 64 1HG2 VAL 64 10.750 -3.388 -1.096 468 2HG2 VAL 64 3HG2 VAL 64 10.762 -1.759 -0.419 469 3HG2 VAL 64 2HG2 VAL 64 9.502 -2.230 -1.559 470 H ALA 65 H ALA 65 10.267 -1.890 -5.275 471 HA ALA 65 HA ALA 65 7.795 -3.311 -4.850 472 1HB ALA 65 1HB ALA 65 8.736 -1.179 -6.727 473 2HB ALA 65 3HB ALA 65 7.269 -2.075 -7.119 474 3HB ALA 65 2HB ALA 65 7.370 -1.166 -5.611 475 H GLY 66 H GLY 66 10.517 -3.530 -7.040 476 1HA GLY 66 2HA GLY 66 9.396 -5.108 -9.073 477 2HA GLY 66 1HA GLY 66 11.099 -5.096 -8.625 478 H ARG 67 H ARG 67 10.828 -6.011 -5.963 479 HA ARG 67 HA ARG 67 10.113 -8.826 -6.482 480 1HB ARG 67 2HB ARG 67 11.926 -7.626 -4.372 481 2HB ARG 67 1HB ARG 67 11.593 -9.347 -4.570 482 1HG ARG 67 2HG ARG 67 12.634 -7.701 -6.871 483 2HG ARG 67 1HG ARG 67 13.736 -8.391 -5.679 484 1HD ARG 67 2HD ARG 67 11.656 -10.169 -6.884 485 2HD ARG 67 1HD ARG 67 13.059 -9.750 -7.860 486 HE ARG 67 HE ARG 67 14.288 -10.572 -5.661 487 1HH1 ARG 67 1HH2 ARG 67 12.886 -12.197 -4.134 488 2HH1 ARG 67 2HH2 ARG 67 12.554 -13.673 -4.977 489 1HH2 ARG 67 2HH1 ARG 67 13.254 -12.350 -8.106 490 2HH2 ARG 67 1HH1 ARG 67 12.762 -13.759 -7.227 491 H VAL 68 H VAL 68 7.978 -7.173 -5.992 492 HA VAL 68 HA VAL 68 7.302 -7.140 -3.191 493 HB VAL 68 HB VAL 68 6.394 -5.460 -4.762 494 1HG1 VAL 68 2HG1 VAL 68 6.081 -7.390 -6.566 495 2HG1 VAL 68 1HG1 VAL 68 4.472 -7.480 -5.851 496 3HG1 VAL 68 3HG1 VAL 68 5.037 -5.970 -6.562 497 1HG2 VAL 68 1HG2 VAL 68 5.113 -6.643 -2.668 498 2HG2 VAL 68 3HG2 VAL 68 4.464 -5.265 -3.558 499 3HG2 VAL 68 2HG2 VAL 68 3.932 -6.901 -3.952 500 H ASP 69 H ASP 69 6.871 -8.928 -2.107 501 HA ASP 69 HA ASP 69 5.671 -11.225 -3.497 502 1HB ASP 69 2HB ASP 69 7.288 -10.883 -1.013 503 2HB ASP 69 1HB ASP 69 6.157 -12.234 -1.087 504 H THR 70 H THR 70 4.782 -8.647 -1.422 505 HA THR 70 HA THR 70 2.290 -10.074 -0.709 506 HB THR 70 HB THR 70 2.303 -8.158 1.141 507 HG1 THR 70 HG1 THR 70 5.048 -8.719 0.719 508 1HG2 THR 70 1HG2 THR 70 2.537 -10.824 1.183 509 2HG2 THR 70 3HG2 THR 70 4.162 -10.412 1.728 510 3HG2 THR 70 2HG2 THR 70 2.759 -9.848 2.635 511 HA PRO 71 HA PRO 71 0.239 -6.772 -2.828 512 1HB PRO 71 2HB PRO 71 -2.195 -6.819 -1.613 513 2HB PRO 71 1HB PRO 71 -1.647 -8.069 -2.739 514 1HG PRO 71 2HG PRO 71 -1.908 -8.186 0.214 515 2HG PRO 71 1HG PRO 71 -2.005 -9.486 -0.975 516 1HD PRO 71 2HD PRO 71 0.220 -8.881 0.665 517 2HD PRO 71 1HD PRO 71 0.209 -9.987 -0.727 518 H ARG 72 H ARG 72 -0.703 -6.656 0.621 519 HA ARG 72 HA ARG 72 -1.244 -3.941 0.842 520 1HB ARG 72 2HB ARG 72 -1.473 -5.889 2.577 521 2HB ARG 72 1HB ARG 72 0.136 -5.375 3.083 522 1HG ARG 72 2HG ARG 72 -0.599 -3.263 3.757 523 2HG ARG 72 1HG ARG 72 -2.026 -3.320 2.720 524 1HD ARG 72 2HD ARG 72 -2.530 -3.608 5.169 525 2HD ARG 72 1HD ARG 72 -3.096 -4.931 4.156 526 HE ARG 72 HE ARG 72 -0.477 -5.229 5.453 527 1HH1 ARG 72 1HH2 ARG 72 -1.902 -7.574 4.290 528 2HH1 ARG 72 2HH2 ARG 72 -2.632 -8.310 5.677 529 1HH2 ARG 72 2HH1 ARG 72 -2.261 -5.508 7.687 530 2HH2 ARG 72 1HH1 ARG 72 -2.835 -7.141 7.602 531 H GLU 73 H GLU 73 1.839 -5.542 0.599 532 HA GLU 73 HA GLU 73 3.433 -3.450 1.711 533 1HB GLU 73 2HB GLU 73 4.199 -5.818 1.440 534 2HB GLU 73 1HB GLU 73 4.258 -5.554 -0.302 535 1HG GLU 73 2HG GLU 73 6.155 -4.298 -0.182 536 2HG GLU 73 1HG GLU 73 5.655 -3.506 1.312 537 H LEU 74 H LEU 74 2.511 -4.357 -1.596 538 HA LEU 74 HA LEU 74 4.010 -2.426 -2.973 539 1HB LEU 74 2HB LEU 74 2.098 -4.393 -3.635 540 2HB LEU 74 1HB LEU 74 1.456 -2.879 -4.268 541 HG LEU 74 HG LEU 74 4.349 -3.570 -4.711 542 1HD1 LEU 74 3HD1 LEU 74 1.965 -4.595 -6.280 543 2HD1 LEU 74 2HD1 LEU 74 3.619 -4.600 -6.895 544 3HD1 LEU 74 1HD1 LEU 74 3.204 -5.560 -5.475 545 1HD2 LEU 74 3HD2 LEU 74 2.247 -1.802 -5.926 546 2HD2 LEU 74 2HD2 LEU 74 3.904 -1.409 -5.467 547 3HD2 LEU 74 1HD2 LEU 74 3.592 -2.346 -6.927 548 H LEU 75 H LEU 75 0.696 -2.270 -1.695 549 HA LEU 75 HA LEU 75 0.072 0.306 -2.657 550 1HB LEU 75 2HB LEU 75 -1.628 -1.257 -1.780 551 2HB LEU 75 1HB LEU 75 -0.951 -1.084 -0.163 552 HG LEU 75 HG LEU 75 -1.366 1.490 -0.578 553 1HD1 LEU 75 2HD1 LEU 75 -3.319 0.171 -2.486 554 2HD1 LEU 75 1HD1 LEU 75 -3.384 1.858 -1.976 555 3HD1 LEU 75 3HD1 LEU 75 -2.018 1.278 -2.929 556 1HD2 LEU 75 3HD2 LEU 75 -2.492 -0.097 1.068 557 2HD2 LEU 75 2HD2 LEU 75 -3.466 1.279 0.550 558 3HD2 LEU 75 1HD2 LEU 75 -3.753 -0.317 -0.144 559 H ASP 76 H ASP 76 1.204 -0.679 0.587 560 HA ASP 76 HA ASP 76 1.467 1.937 1.598 561 1HB ASP 76 2HB ASP 76 1.576 -0.336 2.850 562 2HB ASP 76 1HB ASP 76 3.293 -0.295 2.447 563 H LEU 77 H LEU 77 3.388 0.209 -0.680 564 HA LEU 77 HA LEU 77 5.874 1.536 -0.222 565 1HB LEU 77 2HB LEU 77 4.797 -0.444 -2.054 566 2HB LEU 77 1HB LEU 77 5.805 0.718 -2.909 567 HG LEU 77 HG LEU 77 7.153 -1.149 -2.129 568 1HD1 LEU 77 3HD1 LEU 77 7.766 1.490 -1.792 569 2HD1 LEU 77 2HD1 LEU 77 8.027 0.875 -0.160 570 3HD1 LEU 77 1HD1 LEU 77 8.905 0.171 -1.518 571 1HD2 LEU 77 3HD2 LEU 77 5.754 -0.551 0.443 572 2HD2 LEU 77 2HD2 LEU 77 6.176 -2.108 -0.269 573 3HD2 LEU 77 1HD2 LEU 77 7.415 -1.139 0.528 574 H ILE 78 H ILE 78 3.917 1.698 -3.175 575 HA ILE 78 HA ILE 78 4.973 4.121 -4.113 576 HB ILE 78 HB ILE 78 2.219 2.969 -4.650 577 1HG1 ILE 78 2HG1 ILE 78 4.801 2.661 -6.214 578 2HG1 ILE 78 1HG1 ILE 78 4.170 1.440 -5.110 579 1HG2 ILE 78 1HG2 ILE 78 3.912 4.933 -6.227 580 2HG2 ILE 78 3HG2 ILE 78 2.374 4.253 -6.758 581 3HG2 ILE 78 2HG2 ILE 78 2.429 5.322 -5.357 582 1HD1 ILE 78 1HD1 ILE 78 1.965 1.737 -6.537 583 2HD1 ILE 78 3HD1 ILE 78 3.088 2.339 -7.756 584 3HD1 ILE 78 2HD1 ILE 78 3.270 0.704 -7.121 585 H ASN 79 H ASN 79 2.224 3.503 -2.039 586 HA ASN 79 HA ASN 79 1.133 6.109 -1.997 587 1HB ASN 79 2HB ASN 79 0.099 3.893 -1.168 588 2HB ASN 79 1HB ASN 79 0.991 4.193 0.323 589 1HD2 ASN 79 2HD2 ASN 79 -2.432 5.774 0.508 590 2HD2 ASN 79 1HD2 ASN 79 -1.908 4.200 0.144 591 H GLY 80 H GLY 80 3.479 4.476 0.105 592 1HA GLY 80 2HA GLY 80 3.763 6.646 1.937 593 2HA GLY 80 1HA GLY 80 4.859 5.279 1.773 594 H ALA 81 H ALA 81 5.122 5.964 -1.188 595 HA ALA 81 HA ALA 81 7.452 7.613 -0.911 596 1HB ALA 81 2HB ALA 81 6.958 5.706 -2.629 597 2HB ALA 81 1HB ALA 81 6.187 6.991 -3.558 598 3HB ALA 81 3HB ALA 81 7.896 7.109 -3.139 599 H LEU 82 H LEU 82 4.549 8.032 -2.950 600 HA LEU 82 HA LEU 82 5.026 10.741 -3.541 601 1HB LEU 82 2HB LEU 82 2.629 10.814 -4.204 602 2HB LEU 82 1HB LEU 82 3.489 9.434 -4.889 603 HG LEU 82 HG LEU 82 2.626 8.335 -2.564 604 1HD1 LEU 82 3HD1 LEU 82 0.813 10.625 -3.234 605 2HD1 LEU 82 2HD1 LEU 82 0.100 9.134 -2.621 606 3HD1 LEU 82 1HD1 LEU 82 1.292 10.003 -1.655 607 1HD2 LEU 82 1HD2 LEU 82 2.200 7.923 -5.219 608 2HD2 LEU 82 3HD2 LEU 82 1.372 7.013 -3.955 609 3HD2 LEU 82 2HD2 LEU 82 0.575 8.390 -4.714 610 H ALA 83 H ALA 83 3.529 9.206 -0.786 611 HA ALA 83 HA ALA 83 2.099 11.428 0.226 612 1HB ALA 83 2HB ALA 83 3.188 8.906 1.422 613 2HB ALA 83 1HB ALA 83 2.587 10.176 2.487 614 3HB ALA 83 3HB ALA 83 1.516 9.448 1.288 615 H GLU 84 H GLU 84 5.454 10.415 0.501 616 HA GLU 84 HA GLU 84 6.252 12.144 2.581 617 1HB GLU 84 2HB GLU 84 7.696 10.775 0.335 618 2HB GLU 84 1HB GLU 84 8.544 11.953 1.340 619 1HG GLU 84 2HG GLU 84 7.395 10.539 3.298 620 2HG GLU 84 1HG GLU 84 7.452 9.273 2.071 621 H ALA 85 H ALA 85 5.691 12.688 -0.826 622 HA ALA 85 HA ALA 85 7.143 15.059 -1.206 623 1HB ALA 85 3HB ALA 85 6.090 13.835 -3.060 624 2HB ALA 85 2HB ALA 85 4.494 14.265 -2.442 625 3HB ALA 85 1HB ALA 85 5.574 15.522 -3.046 626 H ALA 86 HN ALA 86 3.731 14.631 -0.258 627 HA ALA 86 HA ALA 86 3.863 17.104 1.292 628 1HB ALA 86 3HB ALA 86 2.125 16.739 -1.137 629 2HB ALA 86 2HB ALA 86 1.621 17.793 0.185 630 3HB ALA 86 1HB ALA 86 3.118 18.125 -0.686 No H/Q in entry = 630 Start of MODEL 6 1 1H MET 1 2H MET 1 -10.904 13.123 -1.289 2 2H MET 1 1H MET 1 -10.885 14.811 -1.470 3 3H MET 1 3H MET 1 -10.892 13.813 -2.842 4 HA MET 1 HA MET 1 -8.684 14.692 -2.487 5 1HB MET 1 2HB MET 1 -9.288 14.627 0.144 6 2HB MET 1 1HB MET 1 -8.370 13.125 0.022 7 1HG MET 1 2HG MET 1 -6.431 14.239 -0.759 8 2HG MET 1 1HG MET 1 -7.331 15.702 -1.158 9 1HE MET 1 3HE MET 1 -8.692 16.931 0.410 10 2HE MET 1 2HE MET 1 -8.096 17.470 1.978 11 3HE MET 1 1HE MET 1 -7.171 17.827 0.521 12 H ALA 2 H ALA 2 -7.992 13.426 -4.111 13 HA ALA 2 HA ALA 2 -7.681 10.532 -3.566 14 1HB ALA 2 3HB ALA 2 -9.326 11.361 -5.431 15 2HB ALA 2 2HB ALA 2 -7.847 11.634 -6.352 16 3HB ALA 2 1HB ALA 2 -8.236 10.016 -5.768 17 H THR 3 H THR 3 -5.755 12.483 -2.833 18 HA THR 3 HA THR 3 -3.689 12.538 -4.849 19 HB THR 3 HB THR 3 -3.061 13.103 -1.995 20 HG1 THR 3 HG1 THR 3 -4.206 14.960 -2.014 21 1HG2 THR 3 3HG2 THR 3 -2.281 14.035 -4.719 22 2HG2 THR 3 2HG2 THR 3 -2.164 15.195 -3.396 23 3HG2 THR 3 1HG2 THR 3 -1.267 13.679 -3.321 24 H LEU 4 H LEU 4 -4.553 10.560 -2.145 25 HA LEU 4 HA LEU 4 -2.062 9.000 -2.439 26 1HB LEU 4 2HB LEU 4 -4.024 9.305 -0.172 27 2HB LEU 4 1HB LEU 4 -2.928 7.926 -0.251 28 HG LEU 4 HG LEU 4 -1.127 9.836 -0.698 29 1HD1 LEU 4 1HD1 LEU 4 -2.929 11.602 -0.665 30 2HD1 LEU 4 3HD1 LEU 4 -3.175 11.238 1.042 31 3HD1 LEU 4 2HD1 LEU 4 -1.628 11.882 0.492 32 1HD2 LEU 4 1HD2 LEU 4 -1.493 8.148 1.280 33 2HD2 LEU 4 3HD2 LEU 4 -0.457 9.553 1.531 34 3HD2 LEU 4 2HD2 LEU 4 -2.115 9.562 2.131 35 H LEU 5 H LEU 5 -2.266 6.644 -2.368 36 HA LEU 5 HA LEU 5 -4.596 5.779 -3.915 37 1HB LEU 5 2HB LEU 5 -1.917 4.535 -3.323 38 2HB LEU 5 1HB LEU 5 -3.239 3.576 -3.979 39 HG LEU 5 HG LEU 5 -2.009 6.045 -5.245 40 1HD1 LEU 5 3HD1 LEU 5 -0.748 3.844 -5.335 41 2HD1 LEU 5 2HD1 LEU 5 -2.113 3.188 -6.239 42 3HD1 LEU 5 1HD1 LEU 5 -1.173 4.523 -6.906 43 1HD2 LEU 5 3HD2 LEU 5 -4.535 4.555 -5.752 44 2HD2 LEU 5 2HD2 LEU 5 -4.135 6.234 -6.101 45 3HD2 LEU 5 1HD2 LEU 5 -3.573 4.955 -7.177 46 H THR 6 H THR 6 -5.550 3.657 -3.426 47 HA THR 6 HA THR 6 -5.614 3.085 -0.529 48 HB THR 6 HB THR 6 -8.135 2.744 -2.066 49 HG1 THR 6 HG1 THR 6 -8.362 4.777 -2.463 50 1HG2 THR 6 3HG2 THR 6 -7.214 3.268 0.714 51 2HG2 THR 6 2HG2 THR 6 -8.781 3.934 0.257 52 3HG2 THR 6 1HG2 THR 6 -8.491 2.199 0.134 53 H THR 7 H THR 7 -6.925 0.966 -0.201 54 HA THR 7 HA THR 7 -5.502 -1.166 -1.331 55 HB THR 7 HB THR 7 -8.278 -1.241 -0.119 56 HG1 THR 7 HG1 THR 7 -7.013 -1.761 1.781 57 1HG2 THR 7 1HG2 THR 7 -6.459 -3.281 -1.132 58 2HG2 THR 7 3HG2 THR 7 -6.848 -3.531 0.569 59 3HG2 THR 7 2HG2 THR 7 -8.141 -3.430 -0.625 60 H ASP 8 H ASP 8 -8.577 0.300 -2.211 61 HA ASP 8 HA ASP 8 -9.452 -1.562 -4.120 62 1HB ASP 8 2HB ASP 8 -9.880 1.414 -3.853 63 2HB ASP 8 1HB ASP 8 -10.623 0.471 -5.146 64 H ASP 9 H ASP 9 -7.177 1.118 -4.351 65 HA ASP 9 HA ASP 9 -6.896 1.118 -7.176 66 1HB ASP 9 2HB ASP 9 -6.100 2.965 -5.663 67 2HB ASP 9 1HB ASP 9 -4.786 1.907 -5.155 68 H LEU 10 H LEU 10 -5.088 -0.507 -4.575 69 HA LEU 10 HA LEU 10 -3.115 -1.659 -6.209 70 1HB LEU 10 2HB LEU 10 -2.368 -2.674 -4.310 71 2HB LEU 10 1HB LEU 10 -3.502 -1.582 -3.531 72 HG LEU 10 HG LEU 10 -5.209 -3.573 -3.921 73 1HD1 LEU 10 3HD1 LEU 10 -2.513 -4.740 -4.415 74 2HD1 LEU 10 2HD1 LEU 10 -3.623 -5.691 -3.426 75 3HD1 LEU 10 1HD1 LEU 10 -4.081 -5.220 -5.063 76 1HD2 LEU 10 3HD2 LEU 10 -4.198 -2.620 -1.735 77 2HD2 LEU 10 2HD2 LEU 10 -4.822 -4.270 -1.692 78 3HD2 LEU 10 1HD2 LEU 10 -3.085 -3.986 -1.816 79 H ARG 11 H ARG 11 -6.395 -2.656 -5.520 80 HA ARG 11 HA ARG 11 -6.199 -5.297 -6.566 81 1HB ARG 11 2HB ARG 11 -8.082 -4.025 -5.131 82 2HB ARG 11 1HB ARG 11 -8.802 -3.880 -6.732 83 1HG ARG 11 2HG ARG 11 -7.721 -6.560 -6.242 84 2HG ARG 11 1HG ARG 11 -8.956 -6.112 -5.068 85 1HD ARG 11 2HD ARG 11 -9.542 -5.468 -7.908 86 2HD ARG 11 1HD ARG 11 -9.546 -7.174 -7.477 87 HE ARG 11 HE ARG 11 -11.321 -6.703 -5.898 88 1HH1 ARG 11 2HH1 ARG 11 -10.605 -3.694 -5.685 89 2HH1 ARG 11 1HH1 ARG 11 -11.975 -2.982 -6.473 90 1HH2 ARG 11 1HH2 ARG 11 -13.022 -5.956 -7.919 91 2HH2 ARG 11 2HH2 ARG 11 -13.342 -4.263 -7.737 92 H ARG 12 H ARG 12 -7.648 -2.347 -7.961 93 HA ARG 12 HA ARG 12 -8.281 -3.406 -10.465 94 1HB ARG 12 2HB ARG 12 -8.189 -1.031 -11.268 95 2HB ARG 12 1HB ARG 12 -9.169 -1.267 -9.820 96 1HG ARG 12 2HG ARG 12 -7.508 -0.342 -8.408 97 2HG ARG 12 1HG ARG 12 -6.256 -0.495 -9.641 98 1HD ARG 12 2HD ARG 12 -6.828 1.805 -9.652 99 2HD ARG 12 1HD ARG 12 -7.662 1.125 -11.044 100 HE ARG 12 HE ARG 12 -9.478 0.964 -8.969 101 1HH1 ARG 12 1HH2 ARG 12 -8.811 2.983 -11.487 102 2HH1 ARG 12 2HH2 ARG 12 -9.437 4.434 -10.777 103 1HH2 ARG 12 2HH1 ARG 12 -9.780 3.051 -7.614 104 2HH2 ARG 12 1HH1 ARG 12 -9.986 4.472 -8.584 105 H ALA 13 H ALA 13 -5.223 -2.254 -9.221 106 HA ALA 13 HA ALA 13 -3.926 -2.021 -11.768 107 1HB ALA 13 1HB ALA 13 -2.822 -2.273 -8.963 108 2HB ALA 13 3HB ALA 13 -1.828 -1.998 -10.394 109 3HB ALA 13 2HB ALA 13 -3.018 -0.793 -9.902 110 H LEU 14 H LEU 14 -4.012 -4.497 -9.234 111 HA LEU 14 HA LEU 14 -2.240 -6.299 -10.566 112 1HB LEU 14 2HB LEU 14 -4.112 -6.489 -8.237 113 2HB LEU 14 1HB LEU 14 -3.441 -7.964 -8.930 114 HG LEU 14 HG LEU 14 -1.508 -5.759 -8.467 115 1HD1 LEU 14 1HD1 LEU 14 -3.310 -6.511 -6.379 116 2HD1 LEU 14 3HD1 LEU 14 -1.736 -7.211 -5.998 117 3HD1 LEU 14 2HD1 LEU 14 -1.889 -5.475 -6.267 118 1HD2 LEU 14 2HD2 LEU 14 -1.566 -8.759 -8.021 119 2HD2 LEU 14 1HD2 LEU 14 -0.724 -7.888 -9.304 120 3HD2 LEU 14 3HD2 LEU 14 -0.177 -7.744 -7.633 121 H VAL 15 H VAL 15 -5.577 -5.548 -10.984 122 HA VAL 15 HA VAL 15 -6.217 -8.116 -12.211 123 HB VAL 15 HB VAL 15 -7.920 -5.620 -12.016 124 1HG1 VAL 15 3HG1 VAL 15 -8.533 -8.528 -12.622 125 2HG1 VAL 15 2HG1 VAL 15 -9.765 -7.307 -12.301 126 3HG1 VAL 15 1HG1 VAL 15 -8.720 -7.156 -13.714 127 1HG2 VAL 15 3HG2 VAL 15 -6.999 -7.056 -9.874 128 2HG2 VAL 15 2HG2 VAL 15 -8.551 -6.223 -9.905 129 3HG2 VAL 15 1HG2 VAL 15 -8.469 -7.946 -10.265 130 H GLU 16 H GLU 16 -5.390 -4.839 -13.119 131 HA GLU 16 HA GLU 16 -6.283 -4.812 -15.777 132 1HB GLU 16 2HB GLU 16 -4.167 -3.367 -14.252 133 2HB GLU 16 1HB GLU 16 -4.111 -3.288 -16.014 134 1HG GLU 16 2HG GLU 16 -6.710 -2.798 -15.725 135 2HG GLU 16 1HG GLU 16 -6.188 -2.240 -14.135 136 H CYS 17 H CYS 17 -3.501 -6.342 -14.309 137 HA CYS 17 HA CYS 17 -1.950 -6.776 -16.623 138 1HB CYS 17 2HB CYS 17 -2.169 -8.239 -13.999 139 2HB CYS 17 1HB CYS 17 -1.094 -8.799 -15.281 140 HG CYS 17 HG CYS 17 -0.223 -6.785 -13.432 141 H ALA 18 H ALA 18 -4.499 -8.721 -15.102 142 HA ALA 18 HA ALA 18 -4.333 -10.774 -17.144 143 1HB ALA 18 2HB ALA 18 -6.055 -10.322 -14.726 144 2HB ALA 18 1HB ALA 18 -6.529 -11.512 -15.939 145 3HB ALA 18 3HB ALA 18 -4.989 -11.677 -15.096 146 H GLY 19 H GLY 19 -7.185 -8.963 -16.015 147 1HA GLY 19 2HA GLY 19 -7.797 -8.095 -18.733 148 2HA GLY 19 1HA GLY 19 -8.922 -9.251 -18.026 149 H GLU 20 H GLU 20 -10.671 -8.289 -17.247 150 HA GLU 20 HA GLU 20 -10.338 -5.752 -15.766 151 1HB GLU 20 2HB GLU 20 -12.616 -5.098 -16.642 152 2HB GLU 20 1HB GLU 20 -11.330 -5.107 -17.848 153 1HG GLU 20 2HG GLU 20 -12.051 -7.478 -18.427 154 2HG GLU 20 1HG GLU 20 -13.471 -7.203 -17.416 155 H THR 21 H THR 21 -12.432 -8.551 -16.362 156 HA THR 21 HA THR 21 -14.033 -9.589 -15.091 157 HB THR 21 HB THR 21 -12.152 -10.675 -14.148 158 HG1 THR 21 HG1 THR 21 -13.401 -11.332 -12.626 159 1HG2 THR 21 1HG2 THR 21 -11.806 -8.194 -12.452 160 2HG2 THR 21 3HG2 THR 21 -10.922 -9.696 -12.207 161 3HG2 THR 21 2HG2 THR 21 -10.708 -8.782 -13.698 162 H ASP 22 H ASP 22 -15.866 -8.650 -14.690 163 HA ASP 22 HA ASP 22 -16.023 -6.420 -12.782 164 1HB ASP 22 2HB ASP 22 -18.379 -6.225 -13.603 165 2HB ASP 22 1HB ASP 22 -17.173 -6.032 -14.876 166 H GLY 23 H GLY 23 -15.524 -9.165 -11.888 167 1HA GLY 23 2HA GLY 23 -17.557 -9.295 -9.838 168 2HA GLY 23 1HA GLY 23 -17.589 -10.660 -10.953 169 H THR 24 H THR 24 -16.198 -9.411 -8.152 170 HA THR 24 HA THR 24 -13.950 -11.305 -8.278 171 HB THR 24 HB THR 24 -14.024 -9.272 -6.120 172 HG1 THR 24 HG1 THR 24 -13.575 -8.587 -8.835 173 1HG2 THR 24 3HG2 THR 24 -12.172 -11.003 -6.990 174 2HG2 THR 24 2HG2 THR 24 -11.757 -9.633 -8.019 175 3HG2 THR 24 1HG2 THR 24 -11.736 -9.455 -6.265 176 H ASP 25 H ASP 25 -13.504 -11.327 -5.497 177 HA ASP 25 HA ASP 25 -15.948 -12.269 -4.221 178 1HB ASP 25 2HB ASP 25 -14.863 -14.446 -3.601 179 2HB ASP 25 1HB ASP 25 -15.238 -14.302 -5.319 180 H LEU 26 H LEU 26 -15.440 -10.402 -2.924 181 HA LEU 26 HA LEU 26 -13.021 -10.549 -1.285 182 1HB LEU 26 2HB LEU 26 -15.182 -8.468 -1.625 183 2HB LEU 26 1HB LEU 26 -13.999 -8.370 -0.325 184 HG LEU 26 HG LEU 26 -13.260 -7.045 -2.259 185 1HD1 LEU 26 2HD1 LEU 26 -11.669 -8.550 -0.813 186 2HD1 LEU 26 1HD1 LEU 26 -11.506 -9.484 -2.299 187 3HD1 LEU 26 3HD1 LEU 26 -11.046 -7.782 -2.274 188 1HD2 LEU 26 2HD2 LEU 26 -14.488 -8.870 -3.812 189 2HD2 LEU 26 1HD2 LEU 26 -13.205 -7.823 -4.419 190 3HD2 LEU 26 3HD2 LEU 26 -12.835 -9.476 -3.927 191 H SER 27 H SER 27 -14.534 -12.706 -0.737 192 HA SER 27 HA SER 27 -16.060 -12.057 1.702 193 1HB SER 27 2HB SER 27 -15.930 -14.784 0.445 194 2HB SER 27 1HB SER 27 -17.185 -14.098 1.473 195 HG SER 27 HG SER 27 -17.549 -12.583 -0.286 196 H GLY 28 H GLY 28 -13.105 -12.056 1.492 197 1HA GLY 28 2HA GLY 28 -12.437 -13.224 3.932 198 2HA GLY 28 1HA GLY 28 -12.028 -14.397 2.684 199 H ASP 29 H ASP 29 -11.870 -10.865 2.473 200 HA ASP 29 HA ASP 29 -10.136 -9.435 2.000 201 1HB ASP 29 2HB ASP 29 -9.386 -10.690 4.237 202 2HB ASP 29 1HB ASP 29 -8.120 -11.290 3.166 203 H PHE 30 H PHE 30 -7.923 -9.313 0.921 204 HA PHE 30 HA PHE 30 -7.312 -11.565 -0.832 205 1HB PHE 30 2HB PHE 30 -7.551 -10.340 -2.890 206 2HB PHE 30 1HB PHE 30 -9.073 -10.232 -2.017 207 HD1 PHE 30 HD2 PHE 30 -9.032 -8.109 -0.223 208 HD2 PHE 30 HD1 PHE 30 -6.868 -8.384 -3.924 209 HE1 PHE 30 HE2 PHE 30 -8.905 -5.638 -0.336 210 HE2 PHE 30 HE1 PHE 30 -6.743 -5.913 -4.034 211 HZ PHE 30 HZ PHE 30 -7.763 -4.541 -2.244 212 H LEU 31 H LEU 31 -5.984 -10.194 1.343 213 HA LEU 31 HA LEU 31 -3.562 -9.346 -0.103 214 1HB LEU 31 2HB LEU 31 -4.631 -8.011 2.395 215 2HB LEU 31 1HB LEU 31 -3.165 -7.572 1.514 216 HG LEU 31 HG LEU 31 -5.869 -7.613 0.171 217 1HD1 LEU 31 2HD1 LEU 31 -5.424 -6.001 2.292 218 2HD1 LEU 31 1HD1 LEU 31 -4.703 -5.019 1.017 219 3HD1 LEU 31 3HD1 LEU 31 -6.392 -5.514 0.901 220 1HD2 LEU 31 3HD2 LEU 31 -3.691 -7.603 -1.142 221 2HD2 LEU 31 2HD2 LEU 31 -4.774 -6.252 -1.480 222 3HD2 LEU 31 1HD2 LEU 31 -3.369 -6.016 -0.441 223 H ASP 32 H ASP 32 -3.187 -11.681 0.352 224 HA ASP 32 HA ASP 32 -1.521 -11.935 2.702 225 1HB ASP 32 2HB ASP 32 -4.151 -13.332 2.481 226 2HB ASP 32 1HB ASP 32 -2.785 -14.237 3.133 227 H LEU 33 H LEU 33 0.047 -12.131 1.049 228 HA LEU 33 HA LEU 33 1.513 -13.374 -0.221 229 1HB LEU 33 2HB LEU 33 0.616 -15.255 1.437 230 2HB LEU 33 1HB LEU 33 -0.146 -15.852 -0.036 231 HG LEU 33 HG LEU 33 2.195 -15.539 -1.116 232 1HD1 LEU 33 2HD1 LEU 33 2.899 -14.318 1.119 233 2HD1 LEU 33 1HD1 LEU 33 3.189 -15.963 1.685 234 3HD1 LEU 33 3HD1 LEU 33 4.054 -15.350 0.276 235 1HD2 LEU 33 1HD2 LEU 33 1.126 -17.727 -0.636 236 2HD2 LEU 33 3HD2 LEU 33 2.867 -17.786 -0.364 237 3HD2 LEU 33 2HD2 LEU 33 1.764 -17.667 1.007 238 H ARG 34 H ARG 34 -0.639 -11.912 -1.336 239 HA ARG 34 HA ARG 34 -1.939 -13.406 -3.407 240 1HB ARG 34 2HB ARG 34 -2.825 -11.261 -2.487 241 2HB ARG 34 1HB ARG 34 -1.478 -10.414 -3.248 242 1HG ARG 34 2HG ARG 34 -3.202 -10.207 -4.837 243 2HG ARG 34 1HG ARG 34 -2.276 -11.586 -5.435 244 1HD ARG 34 2HD ARG 34 -4.464 -12.157 -3.497 245 2HD ARG 34 1HD ARG 34 -4.940 -11.680 -5.124 246 HE ARG 34 HE ARG 34 -3.120 -13.603 -5.631 247 1HH1 ARG 34 2HH1 ARG 34 -4.149 -14.236 -2.660 248 2HH1 ARG 34 1HH1 ARG 34 -5.191 -15.571 -3.020 249 1HH2 ARG 34 1HH2 ARG 34 -5.185 -14.994 -6.441 250 2HH2 ARG 34 2HH2 ARG 34 -5.778 -16.002 -5.162 251 H PHE 35 H PHE 35 1.025 -11.529 -3.161 252 HA PHE 35 HA PHE 35 1.594 -11.470 -5.963 253 1HB PHE 35 2HB PHE 35 3.041 -10.799 -3.462 254 2HB PHE 35 1HB PHE 35 4.041 -11.189 -4.860 255 HD1 PHE 35 HD1 PHE 35 0.781 -9.376 -4.383 256 HD2 PHE 35 HD2 PHE 35 4.778 -9.273 -5.959 257 HE1 PHE 35 HE1 PHE 35 0.365 -7.110 -5.304 258 HE2 PHE 35 HE2 PHE 35 4.356 -7.011 -6.876 259 HZ PHE 35 HZ PHE 35 2.157 -5.929 -6.544 260 H GLU 36 H GLU 36 2.127 -13.789 -3.403 261 HA GLU 36 HA GLU 36 3.872 -15.386 -5.152 262 1HB GLU 36 2HB GLU 36 3.801 -14.938 -2.341 263 2HB GLU 36 1HB GLU 36 3.412 -16.636 -2.599 264 1HG GLU 36 2HG GLU 36 5.748 -15.314 -3.989 265 2HG GLU 36 1HG GLU 36 5.905 -16.036 -2.387 266 H ASP 37 H ASP 37 1.144 -15.122 -5.865 267 HA ASP 37 HA ASP 37 0.025 -17.774 -5.196 268 1HB ASP 37 2HB ASP 37 -1.367 -15.673 -4.807 269 2HB ASP 37 1HB ASP 37 -1.433 -15.512 -6.563 270 H ILE 38 H ILE 38 0.210 -15.529 -7.965 271 HA ILE 38 HA ILE 38 0.103 -17.832 -9.793 272 HB ILE 38 HB ILE 38 0.024 -14.905 -10.536 273 1HG1 ILE 38 2HG1 ILE 38 -2.309 -16.782 -10.024 274 2HG1 ILE 38 1HG1 ILE 38 -1.806 -15.486 -8.938 275 1HG2 ILE 38 1HG2 ILE 38 -0.558 -17.521 -11.915 276 2HG2 ILE 38 3HG2 ILE 38 -1.293 -16.021 -12.481 277 3HG2 ILE 38 2HG2 ILE 38 0.463 -16.190 -12.459 278 1HD1 ILE 38 2HD1 ILE 38 -2.187 -13.833 -10.738 279 2HD1 ILE 38 1HD1 ILE 38 -2.712 -15.130 -11.811 280 3HD1 ILE 38 3HD1 ILE 38 -3.659 -14.736 -10.376 281 H GLY 39 H GLY 39 2.442 -15.886 -8.336 282 1HA GLY 39 2HA GLY 39 4.773 -16.396 -8.747 283 2HA GLY 39 1HA GLY 39 4.383 -16.567 -10.457 284 H TYR 40 H TYR 40 3.084 -14.006 -8.466 285 HA TYR 40 HA TYR 40 4.240 -12.004 -10.224 286 1HB TYR 40 2HB TYR 40 2.172 -12.025 -8.064 287 2HB TYR 40 1HB TYR 40 2.964 -10.500 -8.451 288 HD1 TYR 40 HD1 TYR 40 0.761 -13.177 -9.712 289 HD2 TYR 40 HD2 TYR 40 2.694 -9.448 -10.633 290 HE1 TYR 40 HE1 TYR 40 -0.685 -12.918 -11.710 291 HE2 TYR 40 HE2 TYR 40 1.245 -9.192 -12.629 292 HH TYR 40 HH TYR 40 -1.176 -10.126 -13.275 293 H ASP 41 H ASP 41 6.480 -12.543 -9.536 294 HA ASP 41 HA ASP 41 7.224 -11.663 -6.850 295 1HB ASP 41 2HB ASP 41 9.580 -12.191 -7.662 296 2HB ASP 41 1HB ASP 41 8.470 -13.553 -7.570 297 H SER 42 H SER 42 7.948 -10.764 -10.204 298 HA SER 42 HA SER 42 7.782 -7.985 -9.743 299 1HB SER 42 2HB SER 42 10.055 -7.290 -9.703 300 2HB SER 42 1HB SER 42 9.903 -8.535 -8.469 301 HG SER 42 HG SER 42 11.619 -8.521 -10.374 302 H LEU 43 H LEU 43 7.125 -10.093 -11.716 303 HA LEU 43 HA LEU 43 8.651 -9.292 -14.079 304 1HB LEU 43 2HB LEU 43 6.795 -11.517 -13.409 305 2HB LEU 43 1HB LEU 43 6.812 -10.967 -15.085 306 HG LEU 43 HG LEU 43 9.454 -11.363 -13.760 307 1HD1 LEU 43 2HD1 LEU 43 7.440 -13.505 -14.225 308 2HD1 LEU 43 1HD1 LEU 43 9.087 -13.843 -14.756 309 3HD1 LEU 43 3HD1 LEU 43 8.770 -13.443 -13.068 310 1HD2 LEU 43 1HD2 LEU 43 9.216 -10.557 -16.097 311 2HD2 LEU 43 3HD2 LEU 43 10.043 -12.114 -16.029 312 3HD2 LEU 43 2HD2 LEU 43 8.347 -12.035 -16.508 313 H ALA 44 H ALA 44 5.178 -9.796 -13.494 314 HA ALA 44 HA ALA 44 4.525 -7.721 -15.424 315 1HB ALA 44 1HB ALA 44 3.006 -9.830 -13.959 316 2HB ALA 44 3HB ALA 44 2.122 -8.423 -14.550 317 3HB ALA 44 2HB ALA 44 3.016 -9.441 -15.679 318 H LEU 45 H LEU 45 4.436 -8.201 -11.933 319 HA LEU 45 HA LEU 45 2.807 -5.947 -11.341 320 1HB LEU 45 2HB LEU 45 3.596 -6.177 -9.044 321 2HB LEU 45 1HB LEU 45 3.202 -7.760 -9.708 322 HG LEU 45 HG LEU 45 5.842 -7.560 -10.394 323 1HD1 LEU 45 1HD1 LEU 45 5.316 -5.738 -8.114 324 2HD1 LEU 45 3HD1 LEU 45 6.672 -6.846 -7.901 325 3HD1 LEU 45 2HD1 LEU 45 6.646 -5.736 -9.273 326 1HD2 LEU 45 2HD2 LEU 45 4.253 -8.891 -8.311 327 2HD2 LEU 45 1HD2 LEU 45 5.528 -9.545 -9.338 328 3HD2 LEU 45 3HD2 LEU 45 5.943 -8.692 -7.851 329 H MET 46 H MET 46 6.195 -6.335 -12.047 330 HA MET 46 HA MET 46 7.096 -3.846 -10.993 331 1HB MET 46 2HB MET 46 8.572 -5.797 -11.591 332 2HB MET 46 1HB MET 46 8.305 -5.399 -13.289 333 1HG MET 46 2HG MET 46 10.222 -4.170 -12.920 334 2HG MET 46 1HG MET 46 9.018 -2.969 -12.452 335 1HE MET 46 1HE MET 46 9.918 -1.607 -11.229 336 2HE MET 46 3HE MET 46 9.067 -1.914 -9.708 337 3HE MET 46 2HE MET 46 10.821 -1.748 -9.723 338 H GLU 47 H GLU 47 6.025 -4.896 -14.208 339 HA GLU 47 HA GLU 47 6.510 -2.419 -15.514 340 1HB GLU 47 2HB GLU 47 4.971 -4.894 -16.148 341 2HB GLU 47 1HB GLU 47 4.617 -3.438 -17.078 342 1HG GLU 47 2HG GLU 47 7.173 -3.238 -17.386 343 2HG GLU 47 1HG GLU 47 7.239 -4.913 -16.839 344 H THR 48 H THR 48 3.770 -3.742 -13.757 345 HA THR 48 HA THR 48 1.830 -1.830 -14.511 346 HB THR 48 HB THR 48 2.025 -3.254 -11.847 347 HG1 THR 48 HG1 THR 48 1.657 -4.984 -12.943 348 1HG2 THR 48 3HG2 THR 48 0.353 -1.330 -12.253 349 2HG2 THR 48 2HG2 THR 48 -0.452 -2.440 -13.361 350 3HG2 THR 48 1HG2 THR 48 -0.296 -2.857 -11.654 351 H ALA 49 H ALA 49 4.118 -1.951 -11.809 352 HA ALA 49 HA ALA 49 3.302 0.595 -10.740 353 1HB ALA 49 2HB ALA 49 5.728 -1.124 -10.180 354 2HB ALA 49 1HB ALA 49 5.299 0.330 -9.280 355 3HB ALA 49 3HB ALA 49 4.234 -1.075 -9.244 356 H ALA 50 H ALA 50 5.428 -0.407 -13.263 357 HA ALA 50 HA ALA 50 7.227 1.830 -13.122 358 1HB ALA 50 2HB ALA 50 6.693 -0.339 -15.126 359 2HB ALA 50 1HB ALA 50 7.684 1.050 -15.571 360 3HB ALA 50 3HB ALA 50 8.172 0.010 -14.233 361 H ARG 51 H ARG 51 4.193 1.120 -14.723 362 HA ARG 51 HA ARG 51 4.324 3.560 -16.328 363 1HB ARG 51 2HB ARG 51 3.359 1.393 -17.208 364 2HB ARG 51 1HB ARG 51 2.014 1.627 -16.090 365 1HG ARG 51 2HG ARG 51 1.481 3.775 -17.130 366 2HG ARG 51 1HG ARG 51 2.872 3.625 -18.204 367 1HD ARG 51 2HD ARG 51 1.898 1.910 -19.447 368 2HD ARG 51 1HD ARG 51 0.821 1.437 -18.138 369 HE ARG 51 HE ARG 51 -0.701 3.039 -18.876 370 1HH1 ARG 51 1HH2 ARG 51 0.881 5.492 -18.993 371 2HH1 ARG 51 2HH2 ARG 51 1.008 5.829 -20.687 372 1HH2 ARG 51 1HH1 ARG 51 0.575 4.205 -22.198 373 2HH2 ARG 51 2HH1 ARG 51 0.117 2.623 -21.662 374 H LEU 52 H LEU 52 2.771 2.320 -13.448 375 HA LEU 52 HA LEU 52 0.895 4.515 -13.238 376 1HB LEU 52 2HB LEU 52 0.678 2.079 -12.308 377 2HB LEU 52 1HB LEU 52 1.599 2.716 -10.945 378 HG LEU 52 HG LEU 52 -0.154 4.669 -11.026 379 1HD1 LEU 52 3HD1 LEU 52 -1.371 2.509 -12.715 380 2HD1 LEU 52 2HD1 LEU 52 -2.418 3.481 -11.682 381 3HD1 LEU 52 1HD1 LEU 52 -1.437 4.258 -12.926 382 1HD2 LEU 52 2HD2 LEU 52 -0.543 1.871 -9.971 383 2HD2 LEU 52 1HD2 LEU 52 -0.103 3.332 -9.085 384 3HD2 LEU 52 3HD2 LEU 52 -1.753 3.119 -9.671 385 H GLU 53 H GLU 53 4.140 3.862 -12.178 386 HA GLU 53 HA GLU 53 4.186 5.698 -9.991 387 1HB GLU 53 2HB GLU 53 6.631 5.468 -10.106 388 2HB GLU 53 1HB GLU 53 5.842 3.895 -10.179 389 1HG GLU 53 2HG GLU 53 6.048 3.934 -12.661 390 2HG GLU 53 1HG GLU 53 6.907 5.468 -12.545 391 H SER 54 H SER 54 4.906 5.952 -13.433 392 HA SER 54 HA SER 54 5.989 8.611 -13.250 393 1HB SER 54 2HB SER 54 6.294 6.775 -15.118 394 2HB SER 54 1HB SER 54 4.854 7.528 -15.798 395 HG SER 54 HG SER 54 6.844 8.482 -16.512 396 H ARG 55 H ARG 55 2.854 7.221 -14.146 397 HA ARG 55 HA ARG 55 1.614 9.589 -15.022 398 1HB ARG 55 2HB ARG 55 0.701 7.261 -15.295 399 2HB ARG 55 1HB ARG 55 0.243 7.305 -13.592 400 1HG ARG 55 2HG ARG 55 -1.083 9.372 -14.044 401 2HG ARG 55 1HG ARG 55 -0.702 9.205 -15.758 402 1HD ARG 55 2HD ARG 55 -1.766 6.971 -15.765 403 2HD ARG 55 1HD ARG 55 -2.175 7.169 -14.064 404 HE ARG 55 HE ARG 55 -3.648 8.210 -16.246 405 1HH1 ARG 55 1HH2 ARG 55 -3.502 10.831 -15.811 406 2HH1 ARG 55 2HH2 ARG 55 -4.281 11.213 -14.311 407 1HH2 ARG 55 2HH1 ARG 55 -4.200 7.952 -13.132 408 2HH2 ARG 55 1HH1 ARG 55 -4.676 9.583 -12.795 409 H TYR 56 H TYR 56 1.563 8.052 -11.804 410 HA TYR 56 HA TYR 56 0.023 10.072 -10.556 411 1HB TYR 56 2HB TYR 56 1.806 7.879 -9.564 412 2HB TYR 56 1HB TYR 56 1.227 9.106 -8.436 413 HD1 TYR 56 HD2 TYR 56 -0.257 7.265 -11.358 414 HD2 TYR 56 HD1 TYR 56 -0.654 8.420 -7.237 415 HE1 TYR 56 HE2 TYR 56 -2.461 6.135 -11.252 416 HE2 TYR 56 HE1 TYR 56 -2.854 7.301 -7.138 417 HH TYR 56 HH TYR 56 -3.885 5.074 -9.248 418 H GLY 57 H GLY 57 3.527 9.418 -10.196 419 1HA GLY 57 2HA GLY 57 4.520 11.929 -10.696 420 2HA GLY 57 1HA GLY 57 3.999 12.001 -9.017 421 H VAL 58 H VAL 58 4.972 10.564 -7.483 422 HA VAL 58 HA VAL 58 7.756 10.355 -7.707 423 HB VAL 58 HB VAL 58 6.567 10.461 -5.559 424 1HG1 VAL 58 2HG1 VAL 58 4.825 8.691 -6.553 425 2HG1 VAL 58 1HG1 VAL 58 5.882 7.563 -5.704 426 3HG1 VAL 58 3HG1 VAL 58 5.087 8.863 -4.818 427 1HG2 VAL 58 1HG2 VAL 58 8.874 9.313 -5.921 428 2HG2 VAL 58 3HG2 VAL 58 8.048 9.075 -4.382 429 3HG2 VAL 58 2HG2 VAL 58 7.995 7.815 -5.614 430 H SER 59 H SER 59 9.089 8.473 -7.716 431 HA SER 59 HA SER 59 8.081 5.907 -8.529 432 1HB SER 59 2HB SER 59 9.650 7.448 -10.605 433 2HB SER 59 1HB SER 59 8.987 5.827 -10.762 434 HG SER 59 HG SER 59 7.749 8.305 -10.905 435 H ILE 60 H ILE 60 9.403 4.712 -7.271 436 HA ILE 60 HA ILE 60 12.232 4.729 -7.830 437 HB ILE 60 HB ILE 60 12.061 6.592 -6.220 438 1HG1 ILE 60 2HG1 ILE 60 13.301 4.397 -4.620 439 2HG1 ILE 60 1HG1 ILE 60 13.916 4.654 -6.254 440 1HG2 ILE 60 2HG2 ILE 60 10.044 5.263 -5.059 441 2HG2 ILE 60 1HG2 ILE 60 11.355 4.711 -4.017 442 3HG2 ILE 60 3HG2 ILE 60 11.021 6.435 -4.175 443 1HD1 ILE 60 3HD1 ILE 60 14.103 7.130 -5.646 444 2HD1 ILE 60 2HD1 ILE 60 13.822 6.640 -3.975 445 3HD1 ILE 60 1HD1 ILE 60 15.241 6.051 -4.841 446 HA PRO 61 HA PRO 61 10.559 0.747 -5.992 447 1HB PRO 61 2HB PRO 61 9.944 -0.661 -8.242 448 2HB PRO 61 1HB PRO 61 8.788 0.392 -7.411 449 1HG PRO 61 2HG PRO 61 10.168 0.798 -9.987 450 2HG PRO 61 1HG PRO 61 8.667 1.516 -9.387 451 1HD PRO 61 2HD PRO 61 11.268 2.729 -9.457 452 2HD PRO 61 1HD PRO 61 9.770 3.396 -8.773 453 H ASP 62 H ASP 62 12.984 0.796 -5.636 454 HA ASP 62 HA ASP 62 14.487 -0.668 -7.690 455 1HB ASP 62 2HB ASP 62 15.278 1.160 -5.461 456 2HB ASP 62 1HB ASP 62 16.444 -0.021 -6.059 457 H ASP 63 H ASP 63 15.120 -0.670 -4.196 458 HA ASP 63 HA ASP 63 15.675 -3.489 -4.275 459 1HB ASP 63 2HB ASP 63 16.672 -1.531 -2.761 460 2HB ASP 63 1HB ASP 63 15.405 -2.083 -1.668 461 H VAL 64 H VAL 64 13.513 -1.696 -2.066 462 HA VAL 64 HA VAL 64 12.094 -3.860 -1.097 463 HB VAL 64 HB VAL 64 11.942 -1.565 -0.194 464 1HG1 VAL 64 2HG1 VAL 64 11.716 -0.497 -2.495 465 2HG1 VAL 64 1HG1 VAL 64 10.021 -0.987 -2.455 466 3HG1 VAL 64 3HG1 VAL 64 10.643 0.138 -1.248 467 1HG2 VAL 64 1HG2 VAL 64 10.221 -3.302 0.332 468 2HG2 VAL 64 3HG2 VAL 64 9.582 -1.660 0.404 469 3HG2 VAL 64 2HG2 VAL 64 9.238 -2.680 -0.993 470 H ALA 65 H ALA 65 11.389 -1.929 -3.978 471 HA ALA 65 HA ALA 65 8.959 -3.230 -4.662 472 1HB ALA 65 2HB ALA 65 9.758 -1.028 -5.589 473 2HB ALA 65 1HB ALA 65 10.916 -1.930 -6.567 474 3HB ALA 65 3HB ALA 65 9.185 -2.166 -6.810 475 H GLY 66 H GLY 66 12.299 -3.667 -5.799 476 1HA GLY 66 2HA GLY 66 11.865 -5.706 -7.652 477 2HA GLY 66 1HA GLY 66 13.366 -5.459 -6.770 478 H ARG 67 H ARG 67 11.760 -5.844 -4.181 479 HA ARG 67 HA ARG 67 11.540 -8.790 -4.356 480 1HB ARG 67 2HB ARG 67 12.466 -8.942 -2.092 481 2HB ARG 67 1HB ARG 67 13.600 -8.134 -3.172 482 1HG ARG 67 2HG ARG 67 12.402 -5.946 -2.312 483 2HG ARG 67 1HG ARG 67 11.940 -6.973 -0.956 484 1HD ARG 67 2HD ARG 67 14.456 -7.638 -0.907 485 2HD ARG 67 1HD ARG 67 14.698 -6.181 -1.865 486 HE ARG 67 HE ARG 67 13.693 -4.929 0.022 487 1HH1 ARG 67 1HH2 ARG 67 13.048 -7.887 1.159 488 2HH1 ARG 67 2HH2 ARG 67 14.030 -7.827 2.584 489 1HH2 ARG 67 2HH1 ARG 67 15.734 -4.968 1.613 490 2HH2 ARG 67 1HH1 ARG 67 15.550 -6.176 2.841 491 H VAL 68 H VAL 68 9.269 -7.411 -4.789 492 HA VAL 68 HA VAL 68 7.880 -7.202 -2.213 493 HB VAL 68 HB VAL 68 7.579 -5.389 -3.915 494 1HG1 VAL 68 3HG1 VAL 68 7.545 -7.038 -5.886 495 2HG1 VAL 68 2HG1 VAL 68 5.875 -7.368 -5.434 496 3HG1 VAL 68 1HG1 VAL 68 6.348 -5.742 -5.921 497 1HG2 VAL 68 1HG2 VAL 68 5.244 -7.026 -2.935 498 2HG2 VAL 68 3HG2 VAL 68 5.895 -5.530 -2.265 499 3HG2 VAL 68 2HG2 VAL 68 5.005 -5.500 -3.788 500 H ASP 69 H ASP 69 7.087 -9.020 -1.416 501 HA ASP 69 HA ASP 69 6.004 -11.030 -3.298 502 1HB ASP 69 2HB ASP 69 7.979 -11.566 -1.673 503 2HB ASP 69 1HB ASP 69 6.707 -11.665 -0.456 504 H THR 70 H THR 70 4.729 -8.592 -1.811 505 HA THR 70 HA THR 70 2.334 -10.086 -0.998 506 HB THR 70 HB THR 70 2.201 -8.135 0.829 507 HG1 THR 70 HG1 THR 70 4.960 -8.749 0.649 508 1HG2 THR 70 2HG2 THR 70 2.328 -10.780 0.947 509 2HG2 THR 70 1HG2 THR 70 3.962 -10.453 1.523 510 3HG2 THR 70 3HG2 THR 70 2.573 -9.802 2.394 511 HA PRO 71 HA PRO 71 0.369 -6.846 -3.278 512 1HB PRO 71 2HB PRO 71 -2.135 -6.898 -2.193 513 2HB PRO 71 1HB PRO 71 -1.515 -8.154 -3.273 514 1HG PRO 71 2HG PRO 71 -1.929 -8.232 -0.339 515 2HG PRO 71 1HG PRO 71 -1.962 -9.552 -1.518 516 1HD PRO 71 2HD PRO 71 0.172 -8.929 0.231 517 2HD PRO 71 1HD PRO 71 0.242 -10.035 -1.161 518 H ARG 72 H ARG 72 -0.541 -6.715 0.166 519 HA ARG 72 HA ARG 72 -1.185 -3.992 0.307 520 1HB ARG 72 2HB ARG 72 -1.570 -5.802 2.073 521 2HB ARG 72 1HB ARG 72 0.100 -5.524 2.566 522 1HG ARG 72 2HG ARG 72 -1.039 -4.036 3.954 523 2HG ARG 72 1HG ARG 72 -0.629 -2.996 2.588 524 1HD ARG 72 2HD ARG 72 -2.893 -2.540 2.811 525 2HD ARG 72 1HD ARG 72 -2.932 -3.846 1.633 526 HE ARG 72 HE ARG 72 -3.270 -5.309 3.750 527 1HH1 ARG 72 1HH2 ARG 72 -5.209 -2.911 2.490 528 2HH1 ARG 72 2HH2 ARG 72 -6.207 -2.702 3.890 529 1HH2 ARG 72 2HH1 ARG 72 -4.214 -4.675 5.930 530 2HH2 ARG 72 1HH1 ARG 72 -5.645 -3.702 5.838 531 H GLU 73 H GLU 73 1.903 -5.558 0.083 532 HA GLU 73 HA GLU 73 3.474 -3.467 1.238 533 1HB GLU 73 2HB GLU 73 4.019 -5.907 -0.388 534 2HB GLU 73 1HB GLU 73 5.259 -4.655 -0.347 535 1HG GLU 73 2HG GLU 73 3.983 -5.881 2.113 536 2HG GLU 73 1HG GLU 73 5.546 -6.364 1.454 537 H LEU 74 H LEU 74 2.544 -4.329 -2.080 538 HA LEU 74 HA LEU 74 4.045 -2.350 -3.408 539 1HB LEU 74 2HB LEU 74 2.755 -4.355 -4.404 540 2HB LEU 74 1HB LEU 74 1.355 -3.283 -4.386 541 HG LEU 74 HG LEU 74 3.018 -1.589 -5.542 542 1HD1 LEU 74 1HD1 LEU 74 4.873 -3.399 -5.193 543 2HD1 LEU 74 3HD1 LEU 74 4.153 -4.164 -6.609 544 3HD1 LEU 74 2HD1 LEU 74 4.809 -2.532 -6.727 545 1HD2 LEU 74 2HD2 LEU 74 1.421 -3.854 -6.655 546 2HD2 LEU 74 1HD2 LEU 74 1.205 -2.116 -6.870 547 3HD2 LEU 74 3HD2 LEU 74 2.456 -2.968 -7.775 548 H LEU 75 H LEU 75 0.753 -2.302 -2.083 549 HA LEU 75 HA LEU 75 -0.003 0.261 -2.993 550 1HB LEU 75 2HB LEU 75 -1.602 -1.346 -2.015 551 2HB LEU 75 1HB LEU 75 -0.821 -1.175 -0.447 552 HG LEU 75 HG LEU 75 -1.325 1.408 -0.853 553 1HD1 LEU 75 2HD1 LEU 75 -2.239 0.927 -3.152 554 2HD1 LEU 75 1HD1 LEU 75 -3.566 0.062 -2.378 555 3HD1 LEU 75 3HD1 LEU 75 -3.356 1.789 -2.095 556 1HD2 LEU 75 1HD2 LEU 75 -3.032 -0.816 0.184 557 2HD2 LEU 75 3HD2 LEU 75 -2.283 0.521 1.056 558 3HD2 LEU 75 2HD2 LEU 75 -3.735 0.798 0.095 559 H ASP 76 H ASP 76 1.417 -0.740 0.124 560 HA ASP 76 HA ASP 76 1.705 1.921 1.102 561 1HB ASP 76 2HB ASP 76 1.707 -0.295 2.435 562 2HB ASP 76 1HB ASP 76 3.418 -0.376 2.009 563 H LEU 77 H LEU 77 3.442 0.183 -1.261 564 HA LEU 77 HA LEU 77 6.036 1.310 -0.786 565 1HB LEU 77 2HB LEU 77 5.101 -0.768 -2.310 566 2HB LEU 77 1HB LEU 77 5.408 0.458 -3.538 567 HG LEU 77 HG LEU 77 7.696 0.783 -2.521 568 1HD1 LEU 77 2HD1 LEU 77 6.737 -0.505 -0.370 569 2HD1 LEU 77 1HD1 LEU 77 7.427 -1.887 -1.220 570 3HD1 LEU 77 3HD1 LEU 77 8.451 -0.520 -0.780 571 1HD2 LEU 77 3HD2 LEU 77 6.714 -1.671 -3.893 572 2HD2 LEU 77 2HD2 LEU 77 7.914 -0.492 -4.422 573 3HD2 LEU 77 1HD2 LEU 77 8.354 -1.733 -3.250 574 H ILE 78 H ILE 78 3.720 1.810 -3.468 575 HA ILE 78 HA ILE 78 5.021 4.203 -4.349 576 HB ILE 78 HB ILE 78 2.193 3.315 -4.956 577 1HG1 ILE 78 2HG1 ILE 78 3.794 1.493 -5.429 578 2HG1 ILE 78 1HG1 ILE 78 3.172 2.182 -6.926 579 1HG2 ILE 78 2HG2 ILE 78 2.797 5.642 -5.589 580 2HG2 ILE 78 1HG2 ILE 78 4.158 5.015 -6.521 581 3HG2 ILE 78 3HG2 ILE 78 2.506 4.624 -7.000 582 1HD1 ILE 78 2HD1 ILE 78 5.227 3.619 -7.052 583 2HD1 ILE 78 1HD1 ILE 78 5.859 2.764 -5.645 584 3HD1 ILE 78 3HD1 ILE 78 5.574 1.892 -7.152 585 H ASN 79 H ASN 79 2.064 3.542 -2.541 586 HA ASN 79 HA ASN 79 1.114 6.146 -2.211 587 1HB ASN 79 2HB ASN 79 0.038 3.883 -1.554 588 2HB ASN 79 1HB ASN 79 0.913 4.076 -0.035 589 1HD2 ASN 79 2HD2 ASN 79 -2.471 5.684 0.261 590 2HD2 ASN 79 1HD2 ASN 79 -1.951 4.122 -0.151 591 H GLY 80 H GLY 80 3.618 4.388 -0.481 592 1HA GLY 80 2HA GLY 80 3.881 6.283 1.660 593 2HA GLY 80 1HA GLY 80 5.017 4.997 1.260 594 H ALA 81 H ALA 81 5.490 5.757 -1.444 595 HA ALA 81 HA ALA 81 7.633 7.547 -1.136 596 1HB ALA 81 2HB ALA 81 7.079 5.855 -3.059 597 2HB ALA 81 1HB ALA 81 6.257 7.237 -3.780 598 3HB ALA 81 3HB ALA 81 7.981 7.326 -3.424 599 H LEU 82 H LEU 82 4.540 8.126 -2.835 600 HA LEU 82 HA LEU 82 4.945 10.898 -3.188 601 1HB LEU 82 2HB LEU 82 2.497 10.997 -3.604 602 2HB LEU 82 1HB LEU 82 3.291 9.714 -4.515 603 HG LEU 82 HG LEU 82 2.664 8.371 -2.231 604 1HD1 LEU 82 3HD1 LEU 82 1.418 10.636 -1.643 605 2HD1 LEU 82 2HD1 LEU 82 0.171 9.968 -2.697 606 3HD1 LEU 82 1HD1 LEU 82 0.680 9.081 -1.259 607 1HD2 LEU 82 1HD2 LEU 82 1.102 8.816 -4.781 608 2HD2 LEU 82 3HD2 LEU 82 2.119 7.442 -4.344 609 3HD2 LEU 82 2HD2 LEU 82 0.557 7.667 -3.559 610 H ALA 83 H ALA 83 3.718 9.022 -0.509 611 HA ALA 83 HA ALA 83 2.364 11.042 0.908 612 1HB ALA 83 3HB ALA 83 3.894 8.653 1.963 613 2HB ALA 83 2HB ALA 83 2.778 9.639 2.908 614 3HB ALA 83 1HB ALA 83 2.182 8.693 1.543 615 H GLU 84 H GLU 84 5.763 10.233 0.637 616 HA GLU 84 HA GLU 84 6.468 12.294 2.616 617 1HB GLU 84 2HB GLU 84 7.937 9.985 1.387 618 2HB GLU 84 1HB GLU 84 8.844 11.337 2.064 619 1HG GLU 84 2HG GLU 84 8.643 10.059 3.972 620 2HG GLU 84 1HG GLU 84 7.133 10.964 4.090 621 H ALA 85 H ALA 85 5.370 13.055 0.069 622 HA ALA 85 HA ALA 85 7.390 13.821 -1.774 623 1HB ALA 85 3HB ALA 85 4.557 14.708 -1.291 624 2HB ALA 85 2HB ALA 85 5.576 15.553 -2.455 625 3HB ALA 85 1HB ALA 85 5.226 13.839 -2.672 626 H ALA 86 HN ALA 86 5.414 16.024 0.206 627 HA ALA 86 HA ALA 86 7.467 18.054 0.127 628 1HB ALA 86 1HB ALA 86 4.853 18.326 0.253 629 2HB ALA 86 3HB ALA 86 5.124 18.184 1.990 630 3HB ALA 86 2HB ALA 86 5.902 19.479 1.080 No H/Q in entry = 630 Start of MODEL 7 1 1H MET 1 3H MET 1 -2.477 13.705 4.202 2 2H MET 1 2H MET 1 -2.265 14.987 5.298 3 3H MET 1 1H MET 1 -2.047 13.382 5.811 4 HA MET 1 HA MET 1 -4.358 12.898 5.551 5 1HB MET 1 2HB MET 1 -3.649 15.414 7.064 6 2HB MET 1 1HB MET 1 -5.279 14.742 7.115 7 1HG MET 1 2HG MET 1 -2.915 12.963 7.643 8 2HG MET 1 1HG MET 1 -3.537 14.000 8.927 9 1HE MET 1 2HE MET 1 -3.437 11.479 9.803 10 2HE MET 1 1HE MET 1 -4.679 12.383 10.666 11 3HE MET 1 3HE MET 1 -5.003 10.734 10.116 12 H ALA 2 H ALA 2 -4.106 13.638 3.047 13 HA ALA 2 HA ALA 2 -6.362 15.461 2.625 14 1HB ALA 2 3HB ALA 2 -3.615 15.833 1.429 15 2HB ALA 2 2HB ALA 2 -5.067 16.530 0.709 16 3HB ALA 2 1HB ALA 2 -4.574 17.005 2.334 17 H THR 3 H THR 3 -3.867 13.731 0.746 18 HA THR 3 HA THR 3 -6.006 12.178 -0.554 19 HB THR 3 HB THR 3 -3.740 13.379 -2.142 20 HG1 THR 3 HG1 THR 3 -4.847 15.144 -2.310 21 1HG2 THR 3 3HG2 THR 3 -5.096 11.314 -2.887 22 2HG2 THR 3 2HG2 THR 3 -6.444 12.434 -3.085 23 3HG2 THR 3 1HG2 THR 3 -4.970 12.654 -4.027 24 H LEU 4 H LEU 4 -5.524 10.089 -0.808 25 HA LEU 4 HA LEU 4 -2.795 9.145 -1.031 26 1HB LEU 4 2HB LEU 4 -3.015 7.619 0.957 27 2HB LEU 4 1HB LEU 4 -2.853 9.326 1.371 28 HG LEU 4 HG LEU 4 -5.626 8.336 0.970 29 1HD1 LEU 4 1HD1 LEU 4 -4.534 6.479 2.228 30 2HD1 LEU 4 3HD1 LEU 4 -4.022 7.643 3.451 31 3HD1 LEU 4 2HD1 LEU 4 -5.739 7.330 3.194 32 1HD2 LEU 4 2HD2 LEU 4 -4.559 10.656 1.836 33 2HD2 LEU 4 1HD2 LEU 4 -6.131 10.078 2.387 34 3HD2 LEU 4 3HD2 LEU 4 -4.698 9.819 3.382 35 H LEU 5 H LEU 5 -2.751 6.728 -1.238 36 HA LEU 5 HA LEU 5 -5.069 5.892 -2.810 37 1HB LEU 5 2HB LEU 5 -2.271 4.849 -2.485 38 2HB LEU 5 1HB LEU 5 -3.525 3.812 -3.155 39 HG LEU 5 HG LEU 5 -2.658 6.511 -4.242 40 1HD1 LEU 5 1HD1 LEU 5 -1.117 4.598 -4.652 41 2HD1 LEU 5 3HD1 LEU 5 -2.453 3.708 -5.383 42 3HD1 LEU 5 2HD1 LEU 5 -1.860 5.187 -6.140 43 1HD2 LEU 5 2HD2 LEU 5 -5.018 4.769 -4.767 44 2HD2 LEU 5 1HD2 LEU 5 -4.848 6.513 -4.959 45 3HD2 LEU 5 3HD2 LEU 5 -4.203 5.425 -6.187 46 H THR 6 H THR 6 -5.919 3.717 -2.584 47 HA THR 6 HA THR 6 -5.780 2.690 0.184 48 HB THR 6 HB THR 6 -8.234 2.215 0.030 49 HG1 THR 6 HG1 THR 6 -9.336 2.877 -1.666 50 1HG2 THR 6 1HG2 THR 6 -7.315 5.093 -0.186 51 2HG2 THR 6 3HG2 THR 6 -8.920 4.610 0.360 52 3HG2 THR 6 2HG2 THR 6 -7.495 4.146 1.290 53 H THR 7 H THR 7 -7.110 0.513 0.195 54 HA THR 7 HA THR 7 -5.666 -1.345 -1.379 55 HB THR 7 HB THR 7 -8.269 -1.689 0.150 56 HG1 THR 7 HG1 THR 7 -6.818 -2.547 1.716 57 1HG2 THR 7 3HG2 THR 7 -6.292 -3.745 -0.869 58 2HG2 THR 7 2HG2 THR 7 -7.699 -4.085 0.142 59 3HG2 THR 7 1HG2 THR 7 -7.916 -3.477 -1.500 60 H ASP 8 H ASP 8 -8.741 0.282 -1.817 61 HA ASP 8 HA ASP 8 -9.809 -1.335 -3.869 62 1HB ASP 8 2HB ASP 8 -11.024 0.518 -2.640 63 2HB ASP 8 1HB ASP 8 -10.141 1.664 -3.650 64 H ASP 9 H ASP 9 -7.401 1.202 -3.854 65 HA ASP 9 HA ASP 9 -7.284 1.566 -6.691 66 1HB ASP 9 2HB ASP 9 -6.493 3.245 -4.960 67 2HB ASP 9 1HB ASP 9 -5.090 2.205 -4.718 68 H LEU 10 H LEU 10 -4.911 0.084 -4.418 69 HA LEU 10 HA LEU 10 -3.327 -0.944 -6.500 70 1HB LEU 10 2HB LEU 10 -1.911 -1.654 -4.890 71 2HB LEU 10 1HB LEU 10 -2.924 -0.676 -3.849 72 HG LEU 10 HG LEU 10 -2.569 -2.739 -2.725 73 1HD1 LEU 10 1HD1 LEU 10 -5.052 -1.809 -3.271 74 2HD1 LEU 10 3HD1 LEU 10 -5.206 -3.492 -3.778 75 3HD1 LEU 10 2HD1 LEU 10 -4.703 -3.110 -2.132 76 1HD2 LEU 10 2HD2 LEU 10 -2.377 -3.849 -5.302 77 2HD2 LEU 10 1HD2 LEU 10 -2.184 -4.691 -3.766 78 3HD2 LEU 10 3HD2 LEU 10 -3.761 -4.648 -4.555 79 H ARG 11 H ARG 11 -6.356 -2.042 -5.363 80 HA ARG 11 HA ARG 11 -6.032 -4.797 -6.183 81 1HB ARG 11 2HB ARG 11 -7.797 -3.727 -4.524 82 2HB ARG 11 1HB ARG 11 -8.720 -3.495 -6.004 83 1HG ARG 11 2HG ARG 11 -7.466 -6.167 -5.438 84 2HG ARG 11 1HG ARG 11 -8.989 -5.734 -4.663 85 1HD ARG 11 2HD ARG 11 -9.938 -5.216 -6.913 86 2HD ARG 11 1HD ARG 11 -8.439 -5.782 -7.642 87 HE ARG 11 HE ARG 11 -9.195 -7.946 -7.323 88 1HH1 ARG 11 2HH1 ARG 11 -9.501 -8.857 -4.845 89 2HH1 ARG 11 1HH1 ARG 11 -11.161 -8.711 -4.373 90 1HH2 ARG 11 1HH2 ARG 11 -11.943 -6.425 -6.861 91 2HH2 ARG 11 2HH2 ARG 11 -12.544 -7.334 -5.514 92 H ARG 12 H ARG 12 -7.855 -2.004 -7.408 93 HA ARG 12 HA ARG 12 -8.740 -3.113 -9.816 94 1HB ARG 12 2HB ARG 12 -9.265 -0.806 -8.695 95 2HB ARG 12 1HB ARG 12 -7.919 -0.232 -9.680 96 1HG ARG 12 2HG ARG 12 -9.260 -1.655 -11.546 97 2HG ARG 12 1HG ARG 12 -10.611 -1.172 -10.519 98 1HD ARG 12 2HD ARG 12 -10.205 0.499 -12.287 99 2HD ARG 12 1HD ARG 12 -9.919 1.180 -10.690 100 HE ARG 12 HE ARG 12 -7.519 0.121 -11.876 101 1HH1 ARG 12 1HH2 ARG 12 -6.932 2.394 -10.374 102 2HH1 ARG 12 2HH2 ARG 12 -6.960 3.738 -11.468 103 1HH2 ARG 12 2HH1 ARG 12 -8.750 2.049 -13.911 104 2HH2 ARG 12 1HH1 ARG 12 -7.990 3.542 -13.471 105 H ALA 13 H ALA 13 -5.607 -1.865 -8.922 106 HA ALA 13 HA ALA 13 -4.599 -1.571 -11.591 107 1HB ALA 13 2HB ALA 13 -3.721 -0.632 -9.250 108 2HB ALA 13 1HB ALA 13 -2.743 -2.098 -9.319 109 3HB ALA 13 3HB ALA 13 -2.633 -0.901 -10.611 110 H LEU 14 H LEU 14 -4.234 -4.038 -9.047 111 HA LEU 14 HA LEU 14 -2.557 -5.784 -10.484 112 1HB LEU 14 2HB LEU 14 -4.420 -6.093 -8.169 113 2HB LEU 14 1HB LEU 14 -3.806 -7.549 -8.953 114 HG LEU 14 HG LEU 14 -1.835 -5.399 -8.330 115 1HD1 LEU 14 2HD1 LEU 14 -3.402 -5.743 -6.305 116 2HD1 LEU 14 1HD1 LEU 14 -2.696 -7.357 -6.199 117 3HD1 LEU 14 3HD1 LEU 14 -1.670 -5.932 -6.028 118 1HD2 LEU 14 3HD2 LEU 14 -1.593 -7.837 -9.411 119 2HD2 LEU 14 2HD2 LEU 14 -0.335 -7.155 -8.381 120 3HD2 LEU 14 1HD2 LEU 14 -1.496 -8.303 -7.713 121 H VAL 15 H VAL 15 -6.002 -5.246 -10.638 122 HA VAL 15 HA VAL 15 -6.488 -7.651 -12.205 123 HB VAL 15 HB VAL 15 -8.375 -5.358 -11.622 124 1HG1 VAL 15 3HG1 VAL 15 -8.709 -8.184 -12.648 125 2HG1 VAL 15 2HG1 VAL 15 -10.053 -7.258 -11.979 126 3HG1 VAL 15 1HG1 VAL 15 -9.217 -6.682 -13.422 127 1HG2 VAL 15 3HG2 VAL 15 -7.354 -6.568 -9.597 128 2HG2 VAL 15 2HG2 VAL 15 -9.115 -6.561 -9.701 129 3HG2 VAL 15 1HG2 VAL 15 -8.211 -8.003 -10.163 130 H GLU 16 H GLU 16 -5.805 -4.278 -12.723 131 HA GLU 16 HA GLU 16 -6.894 -3.875 -15.267 132 1HB GLU 16 2HB GLU 16 -5.597 -2.251 -13.646 133 2HB GLU 16 1HB GLU 16 -4.200 -2.751 -14.601 134 1HG GLU 16 2HG GLU 16 -5.511 -2.159 -16.675 135 2HG GLU 16 1HG GLU 16 -6.747 -1.468 -15.623 136 H CYS 17 H CYS 17 -3.805 -5.307 -14.287 137 HA CYS 17 HA CYS 17 -3.109 -5.857 -17.080 138 1HB CYS 17 2HB CYS 17 -1.654 -5.937 -14.476 139 2HB CYS 17 1HB CYS 17 -1.092 -6.993 -15.770 140 HG CYS 17 HG CYS 17 -1.511 -4.055 -16.602 141 H ALA 18 H ALA 18 -5.430 -7.217 -16.050 142 HA ALA 18 HA ALA 18 -4.443 -10.003 -16.126 143 1HB ALA 18 3HB ALA 18 -5.356 -9.471 -13.900 144 2HB ALA 18 2HB ALA 18 -6.871 -8.963 -14.645 145 3HB ALA 18 1HB ALA 18 -6.365 -10.649 -14.739 146 H GLY 19 H GLY 19 -7.494 -8.186 -16.494 147 1HA GLY 19 2HA GLY 19 -8.124 -8.207 -19.045 148 2HA GLY 19 1HA GLY 19 -8.237 -9.937 -18.733 149 H GLU 20 H GLU 20 -9.883 -10.737 -17.403 150 HA GLU 20 HA GLU 20 -11.801 -8.963 -16.169 151 1HB GLU 20 2HB GLU 20 -13.724 -9.795 -17.536 152 2HB GLU 20 1HB GLU 20 -12.609 -8.774 -18.444 153 1HG GLU 20 2HG GLU 20 -11.503 -10.773 -19.360 154 2HG GLU 20 1HG GLU 20 -12.596 -11.807 -18.439 155 H THR 21 H THR 21 -13.486 -10.140 -15.034 156 HA THR 21 HA THR 21 -13.597 -12.966 -14.912 157 HB THR 21 HB THR 21 -11.402 -12.872 -13.899 158 HG1 THR 21 HG1 THR 21 -12.445 -14.362 -12.805 159 1HG2 THR 21 3HG2 THR 21 -12.022 -10.375 -13.088 160 2HG2 THR 21 2HG2 THR 21 -12.321 -11.249 -11.586 161 3HG2 THR 21 1HG2 THR 21 -10.732 -11.323 -12.348 162 H ASP 22 H ASP 22 -15.658 -13.197 -14.407 163 HA ASP 22 HA ASP 22 -16.907 -11.312 -12.520 164 1HB ASP 22 2HB ASP 22 -19.050 -12.303 -13.348 165 2HB ASP 22 1HB ASP 22 -18.098 -11.534 -14.618 166 H GLY 23 H GLY 23 -15.100 -13.499 -11.699 167 1HA GLY 23 2HA GLY 23 -17.022 -15.131 -10.137 168 2HA GLY 23 1HA GLY 23 -15.443 -15.713 -10.655 169 H THR 24 H THR 24 -13.651 -15.245 -9.464 170 HA THR 24 HA THR 24 -12.377 -14.599 -7.670 171 HB THR 24 HB THR 24 -14.253 -12.400 -6.951 172 HG1 THR 24 HG1 THR 24 -12.614 -12.425 -9.263 173 1HG2 THR 24 3HG2 THR 24 -11.335 -12.988 -6.932 174 2HG2 THR 24 2HG2 THR 24 -11.815 -11.305 -7.148 175 3HG2 THR 24 1HG2 THR 24 -12.330 -12.193 -5.713 176 H ASP 25 H ASP 25 -12.264 -15.418 -5.688 177 HA ASP 25 HA ASP 25 -14.797 -15.899 -4.233 178 1HB ASP 25 2HB ASP 25 -12.318 -17.613 -4.443 179 2HB ASP 25 1HB ASP 25 -13.558 -17.865 -3.213 180 H LEU 26 H LEU 26 -13.086 -13.560 -4.043 181 HA LEU 26 HA LEU 26 -11.805 -13.882 -1.416 182 1HB LEU 26 2HB LEU 26 -11.791 -11.539 -3.335 183 2HB LEU 26 1HB LEU 26 -10.893 -11.626 -1.819 184 HG LEU 26 HG LEU 26 -10.576 -13.720 -3.973 185 1HD1 LEU 26 1HD1 LEU 26 -9.470 -10.961 -3.810 186 2HD1 LEU 26 3HD1 LEU 26 -8.337 -12.243 -4.237 187 3HD1 LEU 26 2HD1 LEU 26 -9.773 -11.970 -5.224 188 1HD2 LEU 26 3HD2 LEU 26 -8.902 -12.792 -1.617 189 2HD2 LEU 26 2HD2 LEU 26 -9.751 -14.331 -1.766 190 3HD2 LEU 26 1HD2 LEU 26 -8.368 -13.983 -2.803 191 H SER 27 H SER 27 -13.784 -14.102 -0.244 192 HA SER 27 HA SER 27 -15.480 -11.695 -0.133 193 1HB SER 27 2HB SER 27 -15.914 -14.449 1.047 194 2HB SER 27 1HB SER 27 -17.047 -13.104 1.148 195 HG SER 27 HG SER 27 -17.412 -14.625 -0.610 196 H GLY 28 H GLY 28 -12.832 -11.647 0.967 197 1HA GLY 28 2HA GLY 28 -13.476 -10.727 3.632 198 2HA GLY 28 1HA GLY 28 -12.438 -12.150 3.612 199 H ASP 29 H ASP 29 -10.406 -12.008 2.431 200 HA ASP 29 HA ASP 29 -9.428 -9.297 1.886 201 1HB ASP 29 2HB ASP 29 -8.215 -11.170 3.926 202 2HB ASP 29 1HB ASP 29 -7.359 -9.787 3.244 203 H PHE 30 H PHE 30 -7.621 -9.228 0.532 204 HA PHE 30 HA PHE 30 -6.741 -11.813 -0.599 205 1HB PHE 30 2HB PHE 30 -6.700 -10.676 -2.848 206 2HB PHE 30 1HB PHE 30 -8.307 -10.969 -2.189 207 HD1 PHE 30 HD2 PHE 30 -5.651 -8.332 -2.428 208 HD2 PHE 30 HD1 PHE 30 -9.825 -9.202 -1.897 209 HE1 PHE 30 HE2 PHE 30 -6.171 -5.916 -2.579 210 HE2 PHE 30 HE1 PHE 30 -10.345 -6.783 -2.044 211 HZ PHE 30 HZ PHE 30 -8.520 -5.142 -2.385 212 H LEU 31 H LEU 31 -5.575 -9.741 1.291 213 HA LEU 31 HA LEU 31 -3.131 -9.163 -0.267 214 1HB LEU 31 2HB LEU 31 -4.274 -7.638 2.085 215 2HB LEU 31 1HB LEU 31 -2.749 -7.272 1.270 216 HG LEU 31 HG LEU 31 -5.274 -7.507 -0.338 217 1HD1 LEU 31 3HD1 LEU 31 -5.250 -5.799 1.766 218 2HD1 LEU 31 2HD1 LEU 31 -4.468 -4.795 0.544 219 3HD1 LEU 31 1HD1 LEU 31 -6.075 -5.455 0.245 220 1HD2 LEU 31 2HD2 LEU 31 -2.549 -6.287 -0.597 221 2HD2 LEU 31 1HD2 LEU 31 -3.448 -7.270 -1.753 222 3HD2 LEU 31 3HD2 LEU 31 -3.885 -5.580 -1.506 223 H ASP 32 H ASP 32 -2.901 -11.516 0.453 224 HA ASP 32 HA ASP 32 -1.025 -11.550 2.672 225 1HB ASP 32 2HB ASP 32 -3.522 -13.268 2.672 226 2HB ASP 32 1HB ASP 32 -2.122 -13.552 3.708 227 H LEU 33 H LEU 33 0.370 -11.902 0.868 228 HA LEU 33 HA LEU 33 1.704 -13.271 -0.417 229 1HB LEU 33 2HB LEU 33 0.866 -15.007 1.498 230 2HB LEU 33 1HB LEU 33 0.153 -15.753 0.068 231 HG LEU 33 HG LEU 33 2.550 -15.304 -0.965 232 1HD1 LEU 33 1HD1 LEU 33 3.106 -14.155 1.343 233 2HD1 LEU 33 3HD1 LEU 33 3.374 -15.814 1.876 234 3HD1 LEU 33 2HD1 LEU 33 4.321 -15.153 0.544 235 1HD2 LEU 33 3HD2 LEU 33 1.575 -17.503 0.828 236 2HD2 LEU 33 2HD2 LEU 33 1.898 -17.537 -0.905 237 3HD2 LEU 33 1HD2 LEU 33 3.237 -17.562 0.241 238 H ARG 34 H ARG 34 -0.620 -11.924 -1.368 239 HA ARG 34 HA ARG 34 -2.141 -13.558 -3.143 240 1HB ARG 34 2HB ARG 34 -2.785 -11.260 -2.267 241 2HB ARG 34 1HB ARG 34 -1.632 -10.591 -3.421 242 1HG ARG 34 2HG ARG 34 -3.003 -12.256 -5.058 243 2HG ARG 34 1HG ARG 34 -4.274 -11.858 -3.902 244 1HD ARG 34 2HD ARG 34 -4.000 -9.499 -4.301 245 2HD ARG 34 1HD ARG 34 -2.552 -9.775 -5.264 246 HE ARG 34 HE ARG 34 -3.916 -10.410 -7.064 247 1HH1 ARG 34 1HH2 ARG 34 -5.912 -12.191 -6.572 248 2HH1 ARG 34 2HH2 ARG 34 -7.371 -11.304 -6.285 249 1HH2 ARG 34 2HH1 ARG 34 -5.741 -8.310 -5.645 250 2HH2 ARG 34 1HH1 ARG 34 -7.274 -9.107 -5.761 251 H PHE 35 H PHE 35 0.705 -11.480 -3.539 252 HA PHE 35 HA PHE 35 0.992 -11.632 -6.315 253 1HB PHE 35 2HB PHE 35 2.910 -11.207 -4.050 254 2HB PHE 35 1HB PHE 35 3.537 -11.426 -5.682 255 HD1 PHE 35 HD2 PHE 35 0.418 -9.712 -4.461 256 HD2 PHE 35 HD1 PHE 35 4.210 -9.308 -6.453 257 HE1 PHE 35 HE2 PHE 35 -0.104 -7.347 -4.987 258 HE2 PHE 35 HE1 PHE 35 3.679 -6.947 -6.966 259 HZ PHE 35 HZ PHE 35 1.528 -5.966 -6.242 260 H GLU 36 H GLU 36 1.553 -14.053 -3.889 261 HA GLU 36 HA GLU 36 3.309 -15.682 -5.497 262 1HB GLU 36 2HB GLU 36 1.912 -15.999 -2.868 263 2HB GLU 36 1HB GLU 36 2.537 -17.432 -3.688 264 1HG GLU 36 2HG GLU 36 4.681 -15.829 -3.960 265 2HG GLU 36 1HG GLU 36 4.014 -15.147 -2.476 266 H ASP 37 H ASP 37 -0.109 -15.888 -4.489 267 HA ASP 37 HA ASP 37 -0.754 -18.240 -5.888 268 1HB ASP 37 2HB ASP 37 -2.132 -16.634 -4.201 269 2HB ASP 37 1HB ASP 37 -2.854 -16.148 -5.735 270 H ILE 38 H ILE 38 -1.724 -14.943 -6.835 271 HA ILE 38 HA ILE 38 -2.240 -15.673 -9.545 272 HB ILE 38 HB ILE 38 -3.299 -13.734 -8.367 273 1HG1 ILE 38 2HG1 ILE 38 -1.772 -12.701 -10.751 274 2HG1 ILE 38 1HG1 ILE 38 -2.991 -13.963 -10.931 275 1HG2 ILE 38 1HG2 ILE 38 -0.812 -13.093 -7.519 276 2HG2 ILE 38 3HG2 ILE 38 -0.944 -12.010 -8.905 277 3HG2 ILE 38 2HG2 ILE 38 -2.132 -11.926 -7.603 278 1HD1 ILE 38 3HD1 ILE 38 -4.389 -12.235 -9.408 279 2HD1 ILE 38 2HD1 ILE 38 -3.328 -11.091 -10.229 280 3HD1 ILE 38 1HD1 ILE 38 -4.378 -12.151 -11.170 281 H GLY 39 H GLY 39 -1.033 -14.569 -11.409 282 1HA GLY 39 2HA GLY 39 1.771 -15.215 -11.199 283 2HA GLY 39 1HA GLY 39 0.929 -14.662 -12.644 284 H TYR 40 H TYR 40 2.264 -13.597 -9.567 285 HA TYR 40 HA TYR 40 3.064 -11.053 -10.782 286 1HB TYR 40 2HB TYR 40 1.142 -11.396 -8.528 287 2HB TYR 40 1HB TYR 40 2.336 -10.109 -8.377 288 HD1 TYR 40 HD1 TYR 40 -0.181 -11.513 -10.769 289 HD2 TYR 40 HD2 TYR 40 1.990 -8.053 -9.446 290 HE1 TYR 40 HE1 TYR 40 -1.509 -10.093 -12.306 291 HE2 TYR 40 HE2 TYR 40 0.661 -6.632 -10.983 292 HH TYR 40 HH TYR 40 -0.734 -7.343 -13.397 293 H ASP 41 H ASP 41 4.669 -13.244 -10.281 294 HA ASP 41 HA ASP 41 5.883 -13.343 -7.749 295 1HB ASP 41 2HB ASP 41 7.887 -14.261 -9.026 296 2HB ASP 41 1HB ASP 41 6.367 -15.124 -9.233 297 H SER 42 H SER 42 6.883 -11.548 -10.662 298 HA SER 42 HA SER 42 7.692 -9.228 -9.331 299 1HB SER 42 2HB SER 42 9.448 -10.449 -8.241 300 2HB SER 42 1HB SER 42 9.919 -11.234 -9.746 301 HG SER 42 HG SER 42 10.951 -9.481 -10.337 302 H LEU 43 H LEU 43 9.131 -11.331 -11.833 303 HA LEU 43 HA LEU 43 9.824 -9.328 -13.649 304 1HB LEU 43 2HB LEU 43 9.186 -12.243 -13.942 305 2HB LEU 43 1HB LEU 43 9.440 -11.254 -15.380 306 HG LEU 43 HG LEU 43 11.388 -11.390 -13.063 307 1HD1 LEU 43 1HD1 LEU 43 10.932 -13.514 -14.588 308 2HD1 LEU 43 3HD1 LEU 43 11.919 -12.618 -15.743 309 3HD1 LEU 43 2HD1 LEU 43 12.579 -13.048 -14.165 310 1HD2 LEU 43 2HD2 LEU 43 11.358 -10.090 -15.784 311 2HD2 LEU 43 1HD2 LEU 43 11.767 -9.374 -14.224 312 3HD2 LEU 43 3HD2 LEU 43 12.886 -10.495 -14.999 313 H ALA 44 H ALA 44 6.741 -10.875 -13.056 314 HA ALA 44 HA ALA 44 5.449 -9.934 -15.432 315 1HB ALA 44 2HB ALA 44 4.484 -11.080 -12.824 316 2HB ALA 44 1HB ALA 44 3.341 -10.399 -13.983 317 3HB ALA 44 3HB ALA 44 4.362 -11.761 -14.447 318 H LEU 45 H LEU 45 5.491 -8.844 -12.044 319 HA LEU 45 HA LEU 45 4.016 -6.429 -12.766 320 1HB LEU 45 2HB LEU 45 3.941 -5.980 -10.386 321 2HB LEU 45 1HB LEU 45 3.479 -7.647 -10.699 322 HG LEU 45 HG LEU 45 6.253 -7.776 -10.360 323 1HD1 LEU 45 1HD1 LEU 45 5.920 -5.387 -9.421 324 2HD1 LEU 45 3HD1 LEU 45 5.122 -6.183 -8.065 325 3HD1 LEU 45 2HD1 LEU 45 6.810 -6.539 -8.424 326 1HD2 LEU 45 2HD2 LEU 45 3.829 -8.472 -8.748 327 2HD2 LEU 45 1HD2 LEU 45 5.063 -9.533 -9.429 328 3HD2 LEU 45 3HD2 LEU 45 5.406 -8.604 -7.970 329 H MET 46 H MET 46 7.060 -7.173 -13.300 330 HA MET 46 HA MET 46 8.468 -5.016 -12.015 331 1HB MET 46 2HB MET 46 9.356 -7.306 -13.051 332 2HB MET 46 1HB MET 46 9.545 -6.295 -14.483 333 1HG MET 46 2HG MET 46 11.113 -4.908 -13.468 334 2HG MET 46 1HG MET 46 10.530 -5.270 -11.843 335 1HE MET 46 2HE MET 46 12.881 -5.050 -11.525 336 2HE MET 46 1HE MET 46 12.845 -6.459 -10.468 337 3HE MET 46 3HE MET 46 14.103 -6.308 -11.703 338 H GLU 47 H GLU 47 7.453 -5.686 -15.364 339 HA GLU 47 HA GLU 47 8.211 -3.096 -16.321 340 1HB GLU 47 2HB GLU 47 7.381 -5.541 -17.473 341 2HB GLU 47 1HB GLU 47 6.184 -4.346 -17.969 342 1HG GLU 47 2HG GLU 47 9.183 -3.986 -18.240 343 2HG GLU 47 1HG GLU 47 8.112 -4.489 -19.548 344 H THR 48 H THR 48 5.139 -4.600 -15.380 345 HA THR 48 HA THR 48 3.439 -2.457 -16.057 346 HB THR 48 HB THR 48 3.059 -4.388 -13.757 347 HG1 THR 48 HG1 THR 48 3.094 -5.799 -15.303 348 1HG2 THR 48 3HG2 THR 48 1.486 -2.481 -13.849 349 2HG2 THR 48 2HG2 THR 48 1.094 -2.894 -15.518 350 3HG2 THR 48 1HG2 THR 48 0.675 -4.004 -14.213 351 H ALA 49 H ALA 49 5.070 -3.255 -13.003 352 HA ALA 49 HA ALA 49 4.060 -1.125 -11.470 353 1HB ALA 49 1HB ALA 49 6.659 -2.656 -11.276 354 2HB ALA 49 3HB ALA 49 6.148 -1.461 -10.084 355 3HB ALA 49 2HB ALA 49 5.185 -2.916 -10.343 356 H ALA 50 H ALA 50 6.856 -1.351 -13.613 357 HA ALA 50 HA ALA 50 8.022 1.146 -12.985 358 1HB ALA 50 2HB ALA 50 8.095 -0.443 -15.560 359 2HB ALA 50 1HB ALA 50 9.124 0.945 -15.207 360 3HB ALA 50 3HB ALA 50 9.264 -0.526 -14.243 361 H ARG 51 H ARG 51 5.434 0.201 -15.157 362 HA ARG 51 HA ARG 51 5.249 2.621 -16.624 363 1HB ARG 51 2HB ARG 51 4.077 0.244 -16.931 364 2HB ARG 51 1HB ARG 51 2.779 1.054 -16.051 365 1HG ARG 51 2HG ARG 51 2.376 2.559 -17.747 366 2HG ARG 51 1HG ARG 51 4.055 2.557 -18.290 367 1HD ARG 51 2HD ARG 51 3.174 1.315 -20.000 368 2HD ARG 51 1HD ARG 51 3.429 0.004 -18.854 369 HE ARG 51 HE ARG 51 1.041 0.221 -18.258 370 1HH1 ARG 51 1HH2 ARG 51 0.013 2.656 -19.287 371 2HH1 ARG 51 2HH2 ARG 51 -0.577 2.285 -20.873 372 1HH2 ARG 51 2HH1 ARG 51 1.212 -0.674 -21.136 373 2HH2 ARG 51 1HH1 ARG 51 0.102 0.400 -21.920 374 H LEU 52 H LEU 52 3.413 1.430 -13.813 375 HA LEU 52 HA LEU 52 2.062 3.953 -13.450 376 1HB LEU 52 2HB LEU 52 2.224 1.559 -11.607 377 2HB LEU 52 1HB LEU 52 1.102 2.913 -11.456 378 HG LEU 52 HG LEU 52 1.218 1.409 -14.047 379 1HD1 LEU 52 3HD1 LEU 52 0.993 -0.144 -11.939 380 2HD1 LEU 52 2HD1 LEU 52 -0.636 0.525 -11.852 381 3HD1 LEU 52 1HD1 LEU 52 -0.118 -0.353 -13.292 382 1HD2 LEU 52 3HD2 LEU 52 -0.168 3.576 -13.307 383 2HD2 LEU 52 2HD2 LEU 52 -0.854 2.371 -14.397 384 3HD2 LEU 52 1HD2 LEU 52 -1.269 2.349 -12.683 385 H GLU 53 H GLU 53 5.187 2.950 -12.714 386 HA GLU 53 HA GLU 53 5.450 4.196 -10.135 387 1HB GLU 53 2HB GLU 53 6.940 2.351 -10.939 388 2HB GLU 53 1HB GLU 53 7.633 3.478 -12.103 389 1HG GLU 53 2HG GLU 53 8.896 4.501 -10.526 390 2HG GLU 53 1HG GLU 53 7.558 4.570 -9.380 391 H SER 54 H SER 54 5.765 5.199 -13.470 392 HA SER 54 HA SER 54 7.009 7.737 -12.705 393 1HB SER 54 2HB SER 54 6.102 7.124 -15.490 394 2HB SER 54 1HB SER 54 7.490 8.062 -14.947 395 HG SER 54 HG SER 54 8.379 6.182 -15.535 396 H ARG 55 H ARG 55 3.934 6.426 -13.745 397 HA ARG 55 HA ARG 55 2.687 8.909 -14.379 398 1HB ARG 55 2HB ARG 55 1.882 6.601 -15.071 399 2HB ARG 55 1HB ARG 55 1.280 6.413 -13.423 400 1HG ARG 55 2HG ARG 55 -0.606 7.306 -14.417 401 2HG ARG 55 1HG ARG 55 0.200 8.795 -13.926 402 1HD ARG 55 2HD ARG 55 0.007 9.392 -16.103 403 2HD ARG 55 1HD ARG 55 1.366 8.305 -16.369 404 HE ARG 55 HE ARG 55 -0.273 6.581 -16.988 405 1HH1 ARG 55 2HH1 ARG 55 -2.106 9.167 -15.901 406 2HH1 ARG 55 1HH1 ARG 55 -3.157 9.248 -17.275 407 1HH2 ARG 55 1HH2 ARG 55 -1.320 6.980 -19.147 408 2HH2 ARG 55 2HH2 ARG 55 -2.713 8.011 -19.113 409 H TYR 56 H TYR 56 2.445 6.791 -11.516 410 HA TYR 56 HA TYR 56 1.041 8.861 -10.031 411 1HB TYR 56 2HB TYR 56 1.755 6.002 -9.558 412 2HB TYR 56 1HB TYR 56 1.464 7.027 -8.153 413 HD1 TYR 56 HD2 TYR 56 -0.042 6.571 -11.568 414 HD2 TYR 56 HD1 TYR 56 -0.714 6.983 -7.344 415 HE1 TYR 56 HE2 TYR 56 -2.487 6.386 -11.939 416 HE2 TYR 56 HE1 TYR 56 -3.159 6.799 -7.716 417 HH TYR 56 HH TYR 56 -4.565 7.004 -10.829 418 H GLY 57 H GLY 57 4.257 7.467 -10.212 419 1HA GLY 57 2HA GLY 57 6.273 8.244 -9.382 420 2HA GLY 57 1HA GLY 57 5.438 9.714 -8.892 421 H VAL 58 H VAL 58 6.425 6.512 -7.932 422 HA VAL 58 HA VAL 58 5.401 6.986 -5.224 423 HB VAL 58 HB VAL 58 4.659 4.877 -5.875 424 1HG1 VAL 58 3HG1 VAL 58 7.164 4.757 -7.437 425 2HG1 VAL 58 2HG1 VAL 58 6.618 3.219 -6.771 426 3HG1 VAL 58 1HG1 VAL 58 5.554 4.152 -7.823 427 1HG2 VAL 58 3HG2 VAL 58 6.435 5.004 -3.798 428 2HG2 VAL 58 2HG2 VAL 58 5.446 3.595 -4.185 429 3HG2 VAL 58 1HG2 VAL 58 7.112 3.687 -4.757 430 H SER 59 H SER 59 8.240 4.951 -5.819 431 HA SER 59 HA SER 59 9.806 6.878 -4.228 432 1HB SER 59 2HB SER 59 10.622 4.018 -4.559 433 2HB SER 59 1HB SER 59 10.929 5.120 -3.220 434 HG SER 59 HG SER 59 8.958 4.750 -2.447 435 H ILE 60 H ILE 60 12.288 6.362 -4.628 436 HA ILE 60 HA ILE 60 12.735 7.008 -7.419 437 HB ILE 60 HB ILE 60 14.821 6.683 -5.256 438 1HG1 ILE 60 2HG1 ILE 60 14.507 9.358 -5.535 439 2HG1 ILE 60 1HG1 ILE 60 12.848 8.833 -5.824 440 1HG2 ILE 60 2HG2 ILE 60 15.404 6.751 -7.776 441 2HG2 ILE 60 1HG2 ILE 60 14.898 8.439 -7.704 442 3HG2 ILE 60 3HG2 ILE 60 16.243 7.877 -6.711 443 1HD1 ILE 60 3HD1 ILE 60 14.239 7.565 -3.525 444 2HD1 ILE 60 2HD1 ILE 60 13.834 9.272 -3.345 445 3HD1 ILE 60 1HD1 ILE 60 12.563 8.094 -3.675 446 HA PRO 61 HA PRO 61 15.141 2.896 -7.335 447 1HB PRO 61 2HB PRO 61 14.771 1.172 -5.248 448 2HB PRO 61 1HB PRO 61 16.022 2.425 -5.277 449 1HG PRO 61 2HG PRO 61 13.486 2.335 -3.750 450 2HG PRO 61 1HG PRO 61 14.998 3.175 -3.379 451 1HD PRO 61 2HD PRO 61 12.647 4.340 -4.452 452 2HD PRO 61 1HD PRO 61 14.246 5.104 -4.328 453 H ASP 62 H ASP 62 14.455 1.146 -8.509 454 HA ASP 62 HA ASP 62 11.574 0.550 -8.442 455 1HB ASP 62 2HB ASP 62 13.718 0.243 -10.524 456 2HB ASP 62 1HB ASP 62 12.231 -0.700 -10.631 457 H ASP 63 H ASP 63 14.715 -0.873 -7.900 458 HA ASP 63 HA ASP 63 14.098 -3.598 -8.083 459 1HB ASP 63 2HB ASP 63 15.981 -3.922 -6.471 460 2HB ASP 63 1HB ASP 63 16.394 -2.878 -7.833 461 H VAL 64 H VAL 64 13.519 -1.272 -5.508 462 HA VAL 64 HA VAL 64 12.815 -3.167 -3.504 463 HB VAL 64 HB VAL 64 13.432 -0.833 -2.979 464 1HG1 VAL 64 1HG1 VAL 64 12.234 0.174 -4.948 465 2HG1 VAL 64 3HG1 VAL 64 10.715 -0.091 -4.089 466 3HG1 VAL 64 2HG1 VAL 64 11.927 1.002 -3.422 467 1HG2 VAL 64 2HG2 VAL 64 11.892 -2.293 -1.515 468 2HG2 VAL 64 1HG2 VAL 64 11.893 -0.559 -1.193 469 3HG2 VAL 64 3HG2 VAL 64 10.575 -1.284 -2.113 470 H ALA 65 H ALA 65 10.928 -1.299 -5.852 471 HA ALA 65 HA ALA 65 8.471 -2.674 -5.042 472 1HB ALA 65 2HB ALA 65 8.623 -0.174 -5.645 473 2HB ALA 65 1HB ALA 65 8.721 -0.718 -7.319 474 3HB ALA 65 3HB ALA 65 7.300 -1.103 -6.348 475 H GLY 66 H GLY 66 10.975 -3.679 -6.806 476 1HA GLY 66 2HA GLY 66 9.409 -4.721 -9.070 477 2HA GLY 66 1HA GLY 66 11.168 -4.730 -8.940 478 H ARG 67 H ARG 67 11.257 -5.682 -6.232 479 HA ARG 67 HA ARG 67 10.583 -8.510 -6.729 480 1HB ARG 67 2HB ARG 67 12.710 -7.118 -5.168 481 2HB ARG 67 1HB ARG 67 12.137 -8.676 -4.571 482 1HG ARG 67 2HG ARG 67 12.429 -9.421 -7.079 483 2HG ARG 67 1HG ARG 67 13.516 -8.035 -7.161 484 1HD ARG 67 2HD ARG 67 13.971 -9.660 -4.770 485 2HD ARG 67 1HD ARG 67 14.180 -10.580 -6.256 486 HE ARG 67 HE ARG 67 15.596 -8.016 -5.798 487 1HH1 ARG 67 1HH2 ARG 67 15.737 -9.753 -8.372 488 2HH1 ARG 67 2HH2 ARG 67 17.271 -10.524 -8.150 489 1HH2 ARG 67 2HH1 ARG 67 17.491 -9.711 -4.786 490 2HH2 ARG 67 1HH1 ARG 67 18.264 -10.499 -6.119 491 H VAL 68 H VAL 68 8.633 -6.509 -5.866 492 HA VAL 68 HA VAL 68 8.129 -6.723 -3.082 493 HB VAL 68 HB VAL 68 7.153 -4.951 -4.505 494 1HG1 VAL 68 2HG1 VAL 68 6.712 -6.605 -6.430 495 2HG1 VAL 68 1HG1 VAL 68 5.236 -7.026 -5.563 496 3HG1 VAL 68 3HG1 VAL 68 5.484 -5.374 -6.129 497 1HG2 VAL 68 1HG2 VAL 68 5.596 -6.688 -2.698 498 2HG2 VAL 68 3HG2 VAL 68 5.810 -4.939 -2.672 499 3HG2 VAL 68 2HG2 VAL 68 4.613 -5.665 -3.745 500 H ASP 69 H ASP 69 7.695 -8.543 -2.037 501 HA ASP 69 HA ASP 69 6.502 -10.808 -3.444 502 1HB ASP 69 2HB ASP 69 7.679 -10.493 -0.678 503 2HB ASP 69 1HB ASP 69 6.899 -11.975 -1.229 504 H THR 70 H THR 70 5.799 -8.645 -0.732 505 HA THR 70 HA THR 70 3.208 -9.903 -0.287 506 HB THR 70 HB THR 70 3.065 -7.798 1.327 507 HG1 THR 70 HG1 THR 70 5.172 -7.243 1.995 508 1HG2 THR 70 2HG2 THR 70 3.291 -10.301 1.846 509 2HG2 THR 70 1HG2 THR 70 5.024 -10.001 1.976 510 3HG2 THR 70 3HG2 THR 70 3.903 -9.183 3.064 511 HA PRO 71 HA PRO 71 1.092 -7.043 -2.932 512 1HB PRO 71 2HB PRO 71 -1.451 -7.378 -2.008 513 2HB PRO 71 1HB PRO 71 -0.608 -8.570 -3.005 514 1HG PRO 71 2HG PRO 71 -1.217 -8.639 -0.107 515 2HG PRO 71 1HG PRO 71 -0.987 -9.975 -1.243 516 1HD PRO 71 2HD PRO 71 0.912 -9.021 0.630 517 2HD PRO 71 1HD PRO 71 1.225 -10.156 -0.703 518 H ARG 72 H ARG 72 0.051 -6.883 0.479 519 HA ARG 72 HA ARG 72 -0.985 -4.279 0.468 520 1HB ARG 72 2HB ARG 72 -1.337 -5.830 2.338 521 2HB ARG 72 1HB ARG 72 0.379 -5.771 2.728 522 1HG ARG 72 2HG ARG 72 -0.769 -4.266 4.233 523 2HG ARG 72 1HG ARG 72 0.137 -3.284 3.084 524 1HD ARG 72 2HD ARG 72 -2.076 -2.336 3.301 525 2HD ARG 72 1HD ARG 72 -1.952 -3.076 1.710 526 HE ARG 72 HE ARG 72 -3.735 -4.391 2.347 527 1HH1 ARG 72 2HH1 ARG 72 -3.457 -2.609 5.038 528 2HH1 ARG 72 1HH1 ARG 72 -3.763 -3.861 6.195 529 1HH2 ARG 72 1HH2 ARG 72 -3.446 -6.433 3.890 530 2HH2 ARG 72 2HH2 ARG 72 -3.756 -6.027 5.545 531 H GLU 73 H GLU 73 2.310 -5.407 0.423 532 HA GLU 73 HA GLU 73 3.605 -3.136 1.488 533 1HB GLU 73 2HB GLU 73 4.622 -5.425 0.931 534 2HB GLU 73 1HB GLU 73 4.735 -4.839 -0.729 535 1HG GLU 73 2HG GLU 73 6.144 -3.002 -0.067 536 2HG GLU 73 1HG GLU 73 5.871 -3.338 1.643 537 H LEU 74 H LEU 74 2.593 -3.972 -1.802 538 HA LEU 74 HA LEU 74 3.745 -1.829 -3.183 539 1HB LEU 74 2HB LEU 74 2.240 -3.954 -3.925 540 2HB LEU 74 1HB LEU 74 1.044 -2.665 -4.070 541 HG LEU 74 HG LEU 74 2.740 -1.366 -5.423 542 1HD1 LEU 74 2HD1 LEU 74 4.211 -3.976 -5.065 543 2HD1 LEU 74 1HD1 LEU 74 4.511 -2.949 -6.467 544 3HD1 LEU 74 3HD1 LEU 74 4.815 -2.333 -4.841 545 1HD2 LEU 74 3HD2 LEU 74 0.886 -3.056 -6.272 546 2HD2 LEU 74 2HD2 LEU 74 2.058 -2.385 -7.405 547 3HD2 LEU 74 1HD2 LEU 74 2.283 -4.013 -6.765 548 H LEU 75 H LEU 75 0.429 -2.075 -1.848 549 HA LEU 75 HA LEU 75 -0.491 0.474 -2.485 550 1HB LEU 75 2HB LEU 75 -1.906 -1.307 -1.504 551 2HB LEU 75 1HB LEU 75 -1.084 -1.099 0.041 552 HG LEU 75 HG LEU 75 -1.803 1.358 -0.070 553 1HD1 LEU 75 1HD1 LEU 75 -2.333 1.356 -2.489 554 2HD1 LEU 75 3HD1 LEU 75 -3.651 0.222 -2.187 555 3HD1 LEU 75 2HD1 LEU 75 -3.719 1.853 -1.518 556 1HD2 LEU 75 3HD2 LEU 75 -2.954 -0.734 1.113 557 2HD2 LEU 75 2HD2 LEU 75 -3.715 0.857 1.126 558 3HD2 LEU 75 1HD2 LEU 75 -4.245 -0.365 -0.031 559 H ASP 76 H ASP 76 0.866 -0.493 0.679 560 HA ASP 76 HA ASP 76 1.010 2.052 1.802 561 1HB ASP 76 2HB ASP 76 1.391 -0.199 2.942 562 2HB ASP 76 1HB ASP 76 3.046 -0.104 2.343 563 H LEU 77 H LEU 77 3.039 0.631 -0.629 564 HA LEU 77 HA LEU 77 5.363 2.217 -0.196 565 1HB LEU 77 2HB LEU 77 4.895 0.073 -1.734 566 2HB LEU 77 1HB LEU 77 4.703 1.330 -2.955 567 HG LEU 77 HG LEU 77 6.935 2.264 -1.865 568 1HD1 LEU 77 3HD1 LEU 77 6.730 0.264 -0.178 569 2HD1 LEU 77 2HD1 LEU 77 7.412 -0.683 -1.501 570 3HD1 LEU 77 1HD1 LEU 77 8.313 0.680 -0.835 571 1HD2 LEU 77 3HD2 LEU 77 6.444 0.168 -3.934 572 2HD2 LEU 77 2HD2 LEU 77 7.155 1.773 -4.108 573 3HD2 LEU 77 1HD2 LEU 77 8.118 0.448 -3.451 574 H ILE 78 H ILE 78 3.014 2.431 -2.876 575 HA ILE 78 HA ILE 78 3.815 4.954 -3.802 576 HB ILE 78 HB ILE 78 1.049 3.723 -3.942 577 1HG1 ILE 78 2HG1 ILE 78 2.958 3.595 -6.220 578 2HG1 ILE 78 1HG1 ILE 78 3.328 2.561 -4.840 579 1HG2 ILE 78 3HG2 ILE 78 2.435 5.887 -5.544 580 2HG2 ILE 78 2HG2 ILE 78 0.951 5.089 -6.065 581 3HG2 ILE 78 1HG2 ILE 78 0.965 6.045 -4.583 582 1HD1 ILE 78 3HD1 ILE 78 0.502 2.598 -5.786 583 2HD1 ILE 78 2HD1 ILE 78 1.681 1.768 -6.802 584 3HD1 ILE 78 1HD1 ILE 78 1.450 1.264 -5.128 585 H ASN 79 H ASN 79 1.550 4.038 -1.319 586 HA ASN 79 HA ASN 79 0.182 6.414 -0.865 587 1HB ASN 79 2HB ASN 79 0.089 3.971 0.255 588 2HB ASN 79 1HB ASN 79 0.972 4.826 1.519 589 1HD2 ASN 79 2HD2 ASN 79 -2.928 5.249 1.513 590 2HD2 ASN 79 1HD2 ASN 79 -2.062 3.913 0.923 591 H GLY 80 H GLY 80 3.000 5.225 0.981 592 1HA GLY 80 2HA GLY 80 3.447 7.559 2.461 593 2HA GLY 80 1HA GLY 80 4.668 6.340 2.113 594 H ALA 81 H ALA 81 4.425 6.691 -0.793 595 HA ALA 81 HA ALA 81 6.417 8.676 -1.151 596 1HB ALA 81 1HB ALA 81 4.659 7.172 -3.086 597 2HB ALA 81 3HB ALA 81 5.845 8.362 -3.622 598 3HB ALA 81 2HB ALA 81 6.373 6.924 -2.747 599 H LEU 82 H LEU 82 2.916 8.689 -1.551 600 HA LEU 82 HA LEU 82 2.800 11.267 -2.807 601 1HB LEU 82 2HB LEU 82 0.824 9.333 -1.699 602 2HB LEU 82 1HB LEU 82 0.319 11.015 -1.852 603 HG LEU 82 HG LEU 82 1.708 9.675 -4.153 604 1HD1 LEU 82 1HD1 LEU 82 -0.322 8.315 -3.200 605 2HD1 LEU 82 3HD1 LEU 82 -1.288 9.617 -3.893 606 3HD1 LEU 82 2HD1 LEU 82 -0.245 8.643 -4.931 607 1HD2 LEU 82 2HD2 LEU 82 1.103 12.183 -3.952 608 2HD2 LEU 82 1HD2 LEU 82 0.619 11.350 -5.430 609 3HD2 LEU 82 3HD2 LEU 82 -0.569 11.661 -4.164 610 H ALA 83 H ALA 83 2.594 10.069 0.498 611 HA ALA 83 HA ALA 83 1.696 12.462 1.717 612 1HB ALA 83 3HB ALA 83 3.350 10.183 2.826 613 2HB ALA 83 2HB ALA 83 2.675 11.486 3.804 614 3HB ALA 83 1HB ALA 83 1.602 10.380 2.947 615 H GLU 84 H GLU 84 4.860 11.287 0.766 616 HA GLU 84 HA GLU 84 6.126 13.694 1.904 617 1HB GLU 84 2HB GLU 84 7.373 11.173 0.782 618 2HB GLU 84 1HB GLU 84 8.258 12.528 1.482 619 1HG GLU 84 2HG GLU 84 7.663 11.987 3.628 620 2HG GLU 84 1HG GLU 84 6.074 11.392 3.147 621 H ALA 85 H ALA 85 4.442 13.787 -0.465 622 HA ALA 85 HA ALA 85 6.264 14.080 -2.718 623 1HB ALA 85 2HB ALA 85 3.296 14.329 -2.347 624 2HB ALA 85 1HB ALA 85 4.066 15.014 -3.778 625 3HB ALA 85 3HB ALA 85 4.196 13.286 -3.448 626 H ALA 86 HN ALA 86 4.305 16.128 -0.596 627 HA ALA 86 HA ALA 86 5.713 18.493 -1.686 628 1HB ALA 86 1HB ALA 86 2.937 18.141 -0.585 629 2HB ALA 86 3HB ALA 86 3.719 19.722 -0.557 630 3HB ALA 86 2HB ALA 86 3.443 18.901 -2.094 No H/Q in entry = 630 Start of MODEL 8 1 1H MET 1 3H MET 1 -12.401 15.332 -6.486 2 2H MET 1 2H MET 1 -13.388 15.634 -7.836 3 3H MET 1 1H MET 1 -12.498 14.190 -7.736 4 HA MET 1 HA MET 1 -11.242 15.452 -9.195 5 1HB MET 1 2HB MET 1 -12.173 17.695 -7.437 6 2HB MET 1 1HB MET 1 -10.678 17.899 -8.350 7 1HG MET 1 2HG MET 1 -11.972 17.163 -10.411 8 2HG MET 1 1HG MET 1 -13.438 17.305 -9.441 9 1HE MET 1 2HE MET 1 -14.436 18.569 -10.886 10 2HE MET 1 1HE MET 1 -14.810 19.872 -9.762 11 3HE MET 1 3HE MET 1 -14.151 20.241 -11.362 12 H ALA 2 H ALA 2 -10.694 13.791 -6.905 13 HA ALA 2 HA ALA 2 -8.034 14.857 -6.173 14 1HB ALA 2 1HB ALA 2 -10.086 13.543 -4.401 15 2HB ALA 2 3HB ALA 2 -8.370 13.530 -3.993 16 3HB ALA 2 2HB ALA 2 -9.228 15.063 -4.149 17 H THR 3 H THR 3 -6.542 13.108 -5.425 18 HA THR 3 HA THR 3 -7.110 10.490 -6.655 19 HB THR 3 HB THR 3 -4.489 11.943 -7.056 20 HG1 THR 3 HG1 THR 3 -5.819 13.070 -8.312 21 1HG2 THR 3 1HG2 THR 3 -4.435 9.472 -7.154 22 2HG2 THR 3 3HG2 THR 3 -5.713 9.499 -8.369 23 3HG2 THR 3 2HG2 THR 3 -4.131 10.187 -8.737 24 H LEU 4 H LEU 4 -6.264 8.772 -5.561 25 HA LEU 4 HA LEU 4 -4.176 9.150 -3.580 26 1HB LEU 4 2HB LEU 4 -5.529 8.242 -1.715 27 2HB LEU 4 1HB LEU 4 -6.124 9.806 -2.268 28 HG LEU 4 HG LEU 4 -7.268 7.321 -3.495 29 1HD1 LEU 4 1HD1 LEU 4 -7.218 7.096 -0.941 30 2HD1 LEU 4 3HD1 LEU 4 -8.314 8.477 -0.903 31 3HD1 LEU 4 2HD1 LEU 4 -8.804 6.984 -1.703 32 1HD2 LEU 4 2HD2 LEU 4 -7.721 9.993 -3.856 33 2HD2 LEU 4 1HD2 LEU 4 -8.922 8.743 -4.174 34 3HD2 LEU 4 3HD2 LEU 4 -8.940 9.615 -2.642 35 H LEU 5 H LEU 5 -3.363 7.175 -2.738 36 HA LEU 5 HA LEU 5 -3.895 4.882 -4.510 37 1HB LEU 5 2HB LEU 5 -1.541 5.780 -2.879 38 2HB LEU 5 1HB LEU 5 -1.715 4.073 -3.270 39 HG LEU 5 HG LEU 5 -0.326 5.499 -4.899 40 1HD1 LEU 5 2HD1 LEU 5 -1.366 3.225 -5.348 41 2HD1 LEU 5 1HD1 LEU 5 -2.685 4.082 -6.146 42 3HD1 LEU 5 3HD1 LEU 5 -1.042 4.213 -6.774 43 1HD2 LEU 5 2HD2 LEU 5 -2.180 7.339 -4.872 44 2HD2 LEU 5 1HD2 LEU 5 -1.405 6.952 -6.409 45 3HD2 LEU 5 3HD2 LEU 5 -3.002 6.302 -6.038 46 H THR 6 H THR 6 -5.836 4.295 -3.408 47 HA THR 6 HA THR 6 -5.571 3.411 -0.625 48 HB THR 6 HB THR 6 -8.101 2.950 -2.105 49 HG1 THR 6 HG1 THR 6 -8.312 4.933 -2.690 50 1HG2 THR 6 2HG2 THR 6 -7.225 3.098 0.574 51 2HG2 THR 6 1HG2 THR 6 -8.228 4.525 0.317 52 3HG2 THR 6 3HG2 THR 6 -8.884 2.920 0.004 53 H THR 7 H THR 7 -6.869 1.297 -0.193 54 HA THR 7 HA THR 7 -5.414 -0.857 -1.261 55 HB THR 7 HB THR 7 -8.158 -1.007 0.009 56 HG1 THR 7 HG1 THR 7 -6.846 -1.310 1.929 57 1HG2 THR 7 3HG2 THR 7 -7.142 -3.046 -1.130 58 2HG2 THR 7 2HG2 THR 7 -5.874 -2.981 0.093 59 3HG2 THR 7 1HG2 THR 7 -7.551 -3.244 0.574 60 H ASP 8 H ASP 8 -8.605 0.439 -2.042 61 HA ASP 8 HA ASP 8 -9.402 -1.525 -3.900 62 1HB ASP 8 2HB ASP 8 -10.733 0.489 -2.881 63 2HB ASP 8 1HB ASP 8 -10.114 1.366 -4.281 64 H ASP 9 H ASP 9 -7.260 1.231 -4.155 65 HA ASP 9 HA ASP 9 -7.142 1.395 -6.984 66 1HB ASP 9 2HB ASP 9 -6.281 3.119 -5.287 67 2HB ASP 9 1HB ASP 9 -4.857 2.088 -5.140 68 H LEU 10 H LEU 10 -5.012 -0.217 -4.609 69 HA LEU 10 HA LEU 10 -3.274 -1.322 -6.556 70 1HB LEU 10 2HB LEU 10 -2.190 -2.406 -4.806 71 2HB LEU 10 1HB LEU 10 -2.939 -1.049 -3.977 72 HG LEU 10 HG LEU 10 -4.929 -2.893 -3.766 73 1HD1 LEU 10 1HD1 LEU 10 -2.393 -4.340 -4.277 74 2HD1 LEU 10 3HD1 LEU 10 -3.349 -4.925 -2.916 75 3HD1 LEU 10 2HD1 LEU 10 -4.060 -4.861 -4.527 76 1HD2 LEU 10 2HD2 LEU 10 -3.685 -1.521 -1.984 77 2HD2 LEU 10 1HD2 LEU 10 -4.291 -3.100 -1.479 78 3HD2 LEU 10 3HD2 LEU 10 -2.582 -2.890 -1.863 79 H ARG 11 H ARG 11 -6.370 -2.337 -5.351 80 HA ARG 11 HA ARG 11 -6.229 -5.077 -6.090 81 1HB ARG 11 2HB ARG 11 -7.991 -3.681 -4.640 82 2HB ARG 11 1HB ARG 11 -8.847 -3.666 -6.182 83 1HG ARG 11 2HG ARG 11 -8.465 -6.182 -6.281 84 2HG ARG 11 1HG ARG 11 -7.935 -6.079 -4.602 85 1HD ARG 11 2HD ARG 11 -10.221 -6.572 -4.400 86 2HD ARG 11 1HD ARG 11 -10.169 -4.824 -4.197 87 HE ARG 11 HE ARG 11 -10.858 -6.106 -6.782 88 1HH1 ARG 11 1HH2 ARG 11 -11.198 -3.776 -7.820 89 2HH1 ARG 11 2HH2 ARG 11 -12.529 -2.941 -7.092 90 1HH2 ARG 11 2HH1 ARG 11 -12.647 -5.004 -4.308 91 2HH2 ARG 11 1HH1 ARG 11 -13.349 -3.636 -5.105 92 H ARG 12 H ARG 12 -7.936 -2.369 -7.663 93 HA ARG 12 HA ARG 12 -8.620 -3.769 -10.002 94 1HB ARG 12 2HB ARG 12 -9.173 -1.274 -8.999 95 2HB ARG 12 1HB ARG 12 -8.125 -0.885 -10.363 96 1HG ARG 12 2HG ARG 12 -10.356 -2.869 -10.719 97 2HG ARG 12 1HG ARG 12 -10.708 -1.141 -10.757 98 1HD ARG 12 2HD ARG 12 -8.850 -0.917 -12.472 99 2HD ARG 12 1HD ARG 12 -8.816 -2.675 -12.550 100 HE ARG 12 HE ARG 12 -10.843 -2.622 -13.716 101 1HH1 ARG 12 2HH1 ARG 12 -12.766 -1.066 -12.408 102 2HH1 ARG 12 1HH1 ARG 12 -12.826 0.450 -13.243 103 1HH2 ARG 12 1HH2 ARG 12 -9.755 0.019 -14.794 104 2HH2 ARG 12 2HH2 ARG 12 -11.120 1.065 -14.593 105 H ALA 13 H ALA 13 -5.677 -2.138 -9.056 106 HA ALA 13 HA ALA 13 -4.548 -1.980 -11.689 107 1HB ALA 13 3HB ALA 13 -3.259 -1.857 -8.954 108 2HB ALA 13 2HB ALA 13 -2.413 -1.550 -10.471 109 3HB ALA 13 1HB ALA 13 -3.729 -0.489 -9.965 110 H LEU 14 H LEU 14 -4.613 -4.385 -9.150 111 HA LEU 14 HA LEU 14 -2.503 -5.998 -10.286 112 1HB LEU 14 2HB LEU 14 -4.393 -6.247 -7.993 113 2HB LEU 14 1HB LEU 14 -3.661 -7.719 -8.628 114 HG LEU 14 HG LEU 14 -1.802 -5.441 -8.249 115 1HD1 LEU 14 2HD1 LEU 14 -3.584 -5.763 -6.219 116 2HD1 LEU 14 1HD1 LEU 14 -2.355 -6.937 -5.751 117 3HD1 LEU 14 3HD1 LEU 14 -1.916 -5.244 -5.979 118 1HD2 LEU 14 1HD2 LEU 14 -1.841 -8.404 -8.132 119 2HD2 LEU 14 3HD2 LEU 14 -0.588 -7.318 -8.734 120 3HD2 LEU 14 2HD2 LEU 14 -0.738 -7.618 -7.003 121 H VAL 15 H VAL 15 -5.984 -5.810 -10.530 122 HA VAL 15 HA VAL 15 -6.329 -8.393 -11.745 123 HB VAL 15 HB VAL 15 -8.190 -6.005 -11.830 124 1HG1 VAL 15 3HG1 VAL 15 -8.668 -8.984 -12.155 125 2HG1 VAL 15 2HG1 VAL 15 -9.918 -7.740 -12.166 126 3HG1 VAL 15 1HG1 VAL 15 -8.712 -7.789 -13.452 127 1HG2 VAL 15 2HG2 VAL 15 -7.364 -6.980 -9.522 128 2HG2 VAL 15 1HG2 VAL 15 -9.081 -6.673 -9.776 129 3HG2 VAL 15 3HG2 VAL 15 -8.447 -8.313 -9.921 130 H GLU 16 H GLU 16 -5.727 -5.127 -12.865 131 HA GLU 16 HA GLU 16 -6.424 -5.437 -15.572 132 1HB GLU 16 2HB GLU 16 -5.306 -3.410 -13.997 133 2HB GLU 16 1HB GLU 16 -4.078 -3.743 -15.217 134 1HG GLU 16 2HG GLU 16 -7.004 -3.212 -15.818 135 2HG GLU 16 1HG GLU 16 -5.716 -2.015 -15.961 136 H CYS 17 H CYS 17 -3.588 -6.414 -13.768 137 HA CYS 17 HA CYS 17 -1.811 -6.869 -15.905 138 1HB CYS 17 2HB CYS 17 -2.067 -8.135 -13.178 139 2HB CYS 17 1HB CYS 17 -0.796 -8.594 -14.313 140 HG CYS 17 HG CYS 17 -0.152 -6.513 -12.641 141 H ALA 18 H ALA 18 -3.828 -9.241 -14.156 142 HA ALA 18 HA ALA 18 -3.563 -11.088 -16.426 143 1HB ALA 18 1HB ALA 18 -4.721 -11.497 -13.657 144 2HB ALA 18 3HB ALA 18 -4.604 -12.743 -14.899 145 3HB ALA 18 2HB ALA 18 -3.138 -12.037 -14.218 146 H GLY 19 H GLY 19 -6.224 -10.233 -14.206 147 1HA GLY 19 2HA GLY 19 -8.428 -9.677 -14.628 148 2HA GLY 19 1HA GLY 19 -7.978 -9.390 -16.307 149 H GLU 20 H GLU 20 -9.018 -11.791 -13.976 150 HA GLU 20 HA GLU 20 -10.208 -13.362 -16.127 151 1HB GLU 20 2HB GLU 20 -9.222 -15.481 -15.255 152 2HB GLU 20 1HB GLU 20 -8.031 -14.396 -15.971 153 1HG GLU 20 2HG GLU 20 -7.537 -13.521 -13.665 154 2HG GLU 20 1HG GLU 20 -8.590 -14.781 -13.021 155 H THR 21 H THR 21 -11.178 -11.728 -13.954 156 HA THR 21 HA THR 21 -13.228 -13.411 -12.967 157 HB THR 21 HB THR 21 -11.599 -14.330 -11.452 158 HG1 THR 21 HG1 THR 21 -12.599 -13.801 -9.561 159 1HG2 THR 21 3HG2 THR 21 -10.050 -12.289 -11.745 160 2HG2 THR 21 2HG2 THR 21 -10.990 -11.553 -10.446 161 3HG2 THR 21 1HG2 THR 21 -10.096 -13.045 -10.151 162 H ASP 22 H ASP 22 -14.853 -12.029 -13.010 163 HA ASP 22 HA ASP 22 -14.377 -9.210 -12.312 164 1HB ASP 22 2HB ASP 22 -16.490 -10.638 -13.900 165 2HB ASP 22 1HB ASP 22 -16.818 -9.042 -13.224 166 H GLY 23 H GLY 23 -14.578 -11.387 -10.313 167 1HA GLY 23 2HA GLY 23 -16.881 -10.306 -8.802 168 2HA GLY 23 1HA GLY 23 -16.534 -12.033 -8.822 169 H THR 24 H THR 24 -15.787 -12.566 -6.880 170 HA THR 24 HA THR 24 -13.290 -11.505 -5.937 171 HB THR 24 HB THR 24 -15.340 -11.210 -3.823 172 HG1 THR 24 HG1 THR 24 -15.834 -9.089 -4.626 173 1HG2 THR 24 2HG2 THR 24 -12.864 -9.757 -4.753 174 2HG2 THR 24 1HG2 THR 24 -13.911 -9.099 -3.495 175 3HG2 THR 24 3HG2 THR 24 -13.109 -10.651 -3.252 176 H ASP 25 H ASP 25 -12.246 -13.123 -5.009 177 HA ASP 25 HA ASP 25 -13.811 -15.424 -4.009 178 1HB ASP 25 2HB ASP 25 -10.984 -15.274 -5.085 179 2HB ASP 25 1HB ASP 25 -11.689 -16.718 -4.356 180 H LEU 26 H LEU 26 -13.444 -13.149 -2.377 181 HA LEU 26 HA LEU 26 -11.652 -14.243 -0.310 182 1HB LEU 26 2HB LEU 26 -12.212 -11.302 -0.802 183 2HB LEU 26 1HB LEU 26 -11.070 -11.984 0.355 184 HG LEU 26 HG LEU 26 -10.698 -12.830 -2.468 185 1HD1 LEU 26 2HD1 LEU 26 -10.541 -9.988 -1.549 186 2HD1 LEU 26 1HD1 LEU 26 -9.292 -10.582 -2.643 187 3HD1 LEU 26 3HD1 LEU 26 -10.986 -10.632 -3.129 188 1HD2 LEU 26 1HD2 LEU 26 -8.994 -12.055 -0.101 189 2HD2 LEU 26 3HD2 LEU 26 -9.078 -13.608 -0.932 190 3HD2 LEU 26 2HD2 LEU 26 -8.291 -12.234 -1.708 191 H SER 27 H SER 27 -12.494 -12.301 1.634 192 HA SER 27 HA SER 27 -15.386 -12.673 1.884 193 1HB SER 27 2HB SER 27 -14.768 -13.338 4.382 194 2HB SER 27 1HB SER 27 -14.915 -14.550 3.114 195 HG SER 27 HG SER 27 -12.698 -13.646 4.474 196 H GLY 28 H GLY 28 -13.705 -10.394 1.424 197 1HA GLY 28 2HA GLY 28 -14.474 -8.207 2.320 198 2HA GLY 28 1HA GLY 28 -14.177 -8.874 3.924 199 H ASP 29 H ASP 29 -11.867 -9.730 4.217 200 HA ASP 29 HA ASP 29 -10.034 -7.623 3.303 201 1HB ASP 29 2HB ASP 29 -10.138 -9.447 5.661 202 2HB ASP 29 1HB ASP 29 -8.551 -8.931 5.090 203 H PHE 30 H PHE 30 -8.204 -8.041 2.152 204 HA PHE 30 HA PHE 30 -7.726 -10.829 1.365 205 1HB PHE 30 2HB PHE 30 -6.923 -9.715 -0.879 206 2HB PHE 30 1HB PHE 30 -8.631 -9.988 -0.602 207 HD1 PHE 30 HD2 PHE 30 -9.963 -8.006 0.522 208 HD2 PHE 30 HD1 PHE 30 -6.206 -7.527 -1.518 209 HE1 PHE 30 HE2 PHE 30 -10.430 -5.593 0.212 210 HE2 PHE 30 HE1 PHE 30 -6.684 -5.124 -1.828 211 HZ PHE 30 HZ PHE 30 -8.788 -4.154 -0.957 212 H LEU 31 H LEU 31 -5.563 -8.633 -0.072 213 HA LEU 31 HA LEU 31 -3.253 -8.603 0.130 214 1HB LEU 31 2HB LEU 31 -4.230 -7.247 2.648 215 2HB LEU 31 1HB LEU 31 -2.646 -7.016 1.898 216 HG LEU 31 HG LEU 31 -5.125 -6.656 0.246 217 1HD1 LEU 31 3HD1 LEU 31 -4.854 -5.234 2.581 218 2HD1 LEU 31 2HD1 LEU 31 -4.037 -4.187 1.420 219 3HD1 LEU 31 1HD1 LEU 31 -5.714 -4.668 1.148 220 1HD2 LEU 31 2HD2 LEU 31 -2.239 -5.963 0.139 221 2HD2 LEU 31 1HD2 LEU 31 -3.340 -6.412 -1.163 222 3HD2 LEU 31 3HD2 LEU 31 -3.352 -4.768 -0.527 223 H ASP 32 H ASP 32 -3.751 -11.138 0.734 224 HA ASP 32 HA ASP 32 -2.101 -11.648 3.135 225 1HB ASP 32 2HB ASP 32 -4.529 -13.107 2.109 226 2HB ASP 32 1HB ASP 32 -3.336 -13.927 3.117 227 H LEU 33 H LEU 33 -0.467 -11.309 1.346 228 HA LEU 33 HA LEU 33 1.257 -12.256 0.150 229 1HB LEU 33 2HB LEU 33 0.494 -14.357 1.700 230 2HB LEU 33 1HB LEU 33 0.148 -15.004 0.096 231 HG LEU 33 HG LEU 33 2.498 -14.186 -0.558 232 1HD1 LEU 33 2HD1 LEU 33 2.717 -14.098 2.467 233 2HD1 LEU 33 1HD1 LEU 33 4.074 -13.983 1.347 234 3HD1 LEU 33 3HD1 LEU 33 2.848 -12.716 1.379 235 1HD2 LEU 33 2HD2 LEU 33 1.718 -16.584 0.040 236 2HD2 LEU 33 1HD2 LEU 33 3.450 -16.254 0.090 237 3HD2 LEU 33 3HD2 LEU 33 2.520 -16.311 1.587 238 H ARG 34 H ARG 34 -0.906 -11.081 -1.116 239 HA ARG 34 HA ARG 34 -2.111 -12.586 -3.162 240 1HB ARG 34 2HB ARG 34 -2.822 -10.297 -2.528 241 2HB ARG 34 1HB ARG 34 -1.340 -9.652 -3.227 242 1HG ARG 34 2HG ARG 34 -3.155 -9.444 -4.849 243 2HG ARG 34 1HG ARG 34 -1.994 -10.637 -5.429 244 1HD ARG 34 2HD ARG 34 -4.379 -11.373 -5.659 245 2HD ARG 34 1HD ARG 34 -3.400 -12.460 -4.682 246 HE ARG 34 HE ARG 34 -5.259 -10.461 -3.518 247 1HH1 ARG 34 2HH1 ARG 34 -3.954 -11.376 -1.271 248 2HH1 ARG 34 1HH1 ARG 34 -4.629 -12.919 -0.870 249 1HH2 ARG 34 1HH2 ARG 34 -6.035 -13.415 -4.001 250 2HH2 ARG 34 2HH2 ARG 34 -5.807 -14.074 -2.415 251 H PHE 35 H PHE 35 1.153 -11.501 -2.799 252 HA PHE 35 HA PHE 35 1.738 -11.869 -5.656 253 1HB PHE 35 2HB PHE 35 3.267 -10.718 -3.331 254 2HB PHE 35 1HB PHE 35 4.092 -11.178 -4.818 255 HD1 PHE 35 HD2 PHE 35 0.808 -9.498 -4.041 256 HD2 PHE 35 HD1 PHE 35 4.548 -9.333 -6.153 257 HE1 PHE 35 HE2 PHE 35 0.130 -7.355 -5.075 258 HE2 PHE 35 HE1 PHE 35 3.866 -7.183 -7.180 259 HZ PHE 35 HZ PHE 35 1.661 -6.198 -6.643 260 H GLU 36 H GLU 36 0.985 -14.128 -3.944 261 HA GLU 36 HA GLU 36 3.219 -15.598 -3.078 262 1HB GLU 36 2HB GLU 36 0.871 -16.117 -2.453 263 2HB GLU 36 1HB GLU 36 0.582 -16.693 -4.092 264 1HG GLU 36 2HG GLU 36 2.192 -18.457 -3.843 265 2HG GLU 36 1HG GLU 36 2.776 -17.787 -2.320 266 H ASP 37 H ASP 37 1.242 -16.544 -5.905 267 HA ASP 37 HA ASP 37 3.317 -16.472 -7.803 268 1HB ASP 37 2HB ASP 37 3.960 -18.393 -6.050 269 2HB ASP 37 1HB ASP 37 2.894 -19.331 -7.096 270 H ILE 38 H ILE 38 0.500 -15.957 -7.640 271 HA ILE 38 HA ILE 38 -0.799 -18.062 -9.180 272 HB ILE 38 HB ILE 38 -2.816 -16.775 -8.988 273 1HG1 ILE 38 2HG1 ILE 38 -1.138 -14.478 -7.917 274 2HG1 ILE 38 1HG1 ILE 38 -1.798 -14.544 -9.550 275 1HG2 ILE 38 2HG2 ILE 38 -1.591 -17.783 -6.860 276 2HG2 ILE 38 1HG2 ILE 38 -1.520 -16.086 -6.381 277 3HG2 ILE 38 3HG2 ILE 38 -3.080 -16.853 -6.688 278 1HD1 ILE 38 2HD1 ILE 38 -3.989 -15.106 -7.903 279 2HD1 ILE 38 1HD1 ILE 38 -3.123 -13.822 -7.059 280 3HD1 ILE 38 3HD1 ILE 38 -3.661 -13.579 -8.721 281 H GLY 39 H GLY 39 0.498 -14.850 -9.599 282 1HA GLY 39 2HA GLY 39 1.162 -15.181 -12.323 283 2HA GLY 39 1HA GLY 39 -0.340 -14.260 -12.206 284 H TYR 40 H TYR 40 2.336 -14.265 -9.916 285 HA TYR 40 HA TYR 40 3.129 -11.557 -10.724 286 1HB TYR 40 2HB TYR 40 2.380 -12.327 -7.892 287 2HB TYR 40 1HB TYR 40 3.004 -10.765 -8.416 288 HD1 TYR 40 HD2 TYR 40 1.658 -9.313 -9.925 289 HD2 TYR 40 HD1 TYR 40 0.074 -12.942 -8.242 290 HE1 TYR 40 HE2 TYR 40 -0.639 -8.574 -10.492 291 HE2 TYR 40 HE1 TYR 40 -2.221 -12.195 -8.813 292 HH TYR 40 HH TYR 40 -3.127 -10.384 -10.804 293 H ASP 41 H ASP 41 5.182 -12.120 -11.299 294 HA ASP 41 HA ASP 41 6.785 -13.634 -9.337 295 1HB ASP 41 2HB ASP 41 8.479 -13.682 -11.307 296 2HB ASP 41 1HB ASP 41 7.073 -14.735 -11.378 297 H SER 42 H SER 42 7.154 -10.889 -11.584 298 HA SER 42 HA SER 42 7.954 -8.948 -9.814 299 1HB SER 42 2HB SER 42 10.525 -9.040 -10.344 300 2HB SER 42 1HB SER 42 9.879 -9.998 -9.015 301 HG SER 42 HG SER 42 10.827 -11.559 -10.087 302 H LEU 43 H LEU 43 8.914 -10.450 -12.877 303 HA LEU 43 HA LEU 43 9.454 -7.933 -14.165 304 1HB LEU 43 2HB LEU 43 10.166 -10.514 -14.707 305 2HB LEU 43 1HB LEU 43 8.875 -10.269 -15.878 306 HG LEU 43 HG LEU 43 11.035 -9.638 -16.853 307 1HD1 LEU 43 2HD1 LEU 43 8.841 -8.301 -17.245 308 2HD1 LEU 43 1HD1 LEU 43 9.614 -7.044 -16.279 309 3HD1 LEU 43 3HD1 LEU 43 10.361 -7.586 -17.782 310 1HD2 LEU 43 1HD2 LEU 43 11.384 -8.386 -14.238 311 2HD2 LEU 43 3HD2 LEU 43 12.594 -8.799 -15.452 312 3HD2 LEU 43 2HD2 LEU 43 11.739 -7.260 -15.548 313 H ALA 44 H ALA 44 6.645 -9.915 -13.663 314 HA ALA 44 HA ALA 44 5.143 -8.713 -15.839 315 1HB ALA 44 2HB ALA 44 4.739 -11.061 -15.164 316 2HB ALA 44 1HB ALA 44 4.193 -10.496 -13.585 317 3HB ALA 44 3HB ALA 44 3.284 -10.074 -15.035 318 H LEU 45 H LEU 45 5.064 -8.643 -12.275 319 HA LEU 45 HA LEU 45 2.969 -6.685 -12.190 320 1HB LEU 45 2HB LEU 45 3.429 -6.590 -9.776 321 2HB LEU 45 1HB LEU 45 3.286 -8.252 -10.340 322 HG LEU 45 HG LEU 45 5.952 -7.889 -10.662 323 1HD1 LEU 45 3HD1 LEU 45 5.340 -5.555 -9.447 324 2HD1 LEU 45 2HD1 LEU 45 5.592 -6.566 -8.022 325 3HD1 LEU 45 1HD1 LEU 45 6.884 -6.376 -9.210 326 1HD2 LEU 45 2HD2 LEU 45 4.336 -9.454 -9.119 327 2HD2 LEU 45 1HD2 LEU 45 6.096 -9.477 -9.019 328 3HD2 LEU 45 3HD2 LEU 45 5.162 -8.521 -7.870 329 H MET 46 H MET 46 6.440 -6.533 -12.398 330 HA MET 46 HA MET 46 6.632 -3.806 -11.466 331 1HB MET 46 2HB MET 46 8.527 -5.412 -11.284 332 2HB MET 46 1HB MET 46 8.654 -5.418 -13.043 333 1HG MET 46 2HG MET 46 9.238 -3.095 -13.097 334 2HG MET 46 1HG MET 46 8.801 -2.879 -11.402 335 1HE MET 46 3HE MET 46 10.526 -1.785 -10.786 336 2HE MET 46 2HE MET 46 12.055 -2.444 -10.209 337 3HE MET 46 1HE MET 46 11.932 -1.837 -11.859 338 H GLU 47 H GLU 47 6.367 -5.448 -14.566 339 HA GLU 47 HA GLU 47 6.985 -3.237 -16.225 340 1HB GLU 47 2HB GLU 47 6.584 -5.825 -16.750 341 2HB GLU 47 1HB GLU 47 4.974 -5.227 -17.152 342 1HG GLU 47 2HG GLU 47 6.231 -3.398 -18.504 343 2HG GLU 47 1HG GLU 47 7.620 -4.480 -18.385 344 H THR 48 H THR 48 3.797 -4.637 -15.442 345 HA THR 48 HA THR 48 2.280 -2.546 -16.564 346 HB THR 48 HB THR 48 1.422 -4.271 -14.237 347 HG1 THR 48 HG1 THR 48 1.339 -4.834 -17.015 348 1HG2 THR 48 2HG2 THR 48 -0.077 -2.993 -16.542 349 2HG2 THR 48 1HG2 THR 48 -0.796 -4.003 -15.286 350 3HG2 THR 48 3HG2 THR 48 -0.097 -2.439 -14.868 351 H ALA 49 H ALA 49 3.153 -3.176 -13.167 352 HA ALA 49 HA ALA 49 1.953 -0.879 -12.078 353 1HB ALA 49 1HB ALA 49 2.738 -2.794 -10.724 354 2HB ALA 49 3HB ALA 49 4.406 -2.329 -11.064 355 3HB ALA 49 2HB ALA 49 3.365 -1.256 -10.129 356 H ALA 50 H ALA 50 4.859 -1.221 -13.932 357 HA ALA 50 HA ALA 50 6.138 1.167 -12.947 358 1HB ALA 50 3HB ALA 50 6.638 -0.715 -15.233 359 2HB ALA 50 2HB ALA 50 7.471 0.838 -15.166 360 3HB ALA 50 1HB ALA 50 7.676 -0.329 -13.860 361 H ARG 51 H ARG 51 4.223 0.302 -15.807 362 HA ARG 51 HA ARG 51 4.423 2.800 -17.119 363 1HB ARG 51 2HB ARG 51 2.553 0.472 -17.292 364 2HB ARG 51 1HB ARG 51 2.106 1.983 -18.087 365 1HG ARG 51 2HG ARG 51 4.890 0.987 -18.491 366 2HG ARG 51 1HG ARG 51 3.591 0.134 -19.326 367 1HD ARG 51 2HD ARG 51 3.955 1.760 -20.897 368 2HD ARG 51 1HD ARG 51 2.848 2.661 -19.865 369 HE ARG 51 HE ARG 51 4.689 3.913 -19.047 370 1HH1 ARG 51 1HH2 ARG 51 7.087 2.972 -18.587 371 2HH1 ARG 51 2HH2 ARG 51 8.016 2.935 -20.047 372 1HH2 ARG 51 2HH1 ARG 51 5.254 3.208 -22.126 373 2HH2 ARG 51 1HH1 ARG 51 6.979 3.069 -22.051 374 H LEU 52 H LEU 52 1.987 1.491 -14.889 375 HA LEU 52 HA LEU 52 0.260 3.728 -14.927 376 1HB LEU 52 2HB LEU 52 -0.024 1.306 -13.895 377 2HB LEU 52 1HB LEU 52 0.567 2.104 -12.437 378 HG LEU 52 HG LEU 52 -1.620 3.395 -14.042 379 1HD1 LEU 52 2HD1 LEU 52 -2.327 1.046 -13.676 380 2HD1 LEU 52 1HD1 LEU 52 -2.013 1.232 -11.950 381 3HD1 LEU 52 3HD1 LEU 52 -3.292 2.171 -12.720 382 1HD2 LEU 52 3HD2 LEU 52 -0.682 3.378 -11.166 383 2HD2 LEU 52 2HD2 LEU 52 -0.771 4.746 -12.276 384 3HD2 LEU 52 1HD2 LEU 52 -2.250 4.039 -11.627 385 H GLU 53 H GLU 53 2.914 2.829 -12.742 386 HA GLU 53 HA GLU 53 2.717 5.401 -11.367 387 1HB GLU 53 2HB GLU 53 4.274 2.874 -10.895 388 2HB GLU 53 1HB GLU 53 4.749 4.375 -10.102 389 1HG GLU 53 2HG GLU 53 3.250 3.663 -8.523 390 2HG GLU 53 1HG GLU 53 2.097 4.440 -9.607 391 H SER 54 H SER 54 3.330 5.874 -13.961 392 HA SER 54 HA SER 54 6.245 6.190 -14.136 393 1HB SER 54 2HB SER 54 5.249 5.336 -16.155 394 2HB SER 54 1HB SER 54 4.026 6.605 -16.152 395 HG SER 54 HG SER 54 5.940 6.905 -17.551 396 H ARG 55 H ARG 55 3.321 8.162 -14.673 397 HA ARG 55 HA ARG 55 4.655 10.655 -14.641 398 1HB ARG 55 2HB ARG 55 2.353 11.584 -14.112 399 2HB ARG 55 1HB ARG 55 2.452 10.598 -15.570 400 1HG ARG 55 2HG ARG 55 1.400 8.755 -14.542 401 2HG ARG 55 1HG ARG 55 1.713 9.369 -12.919 402 1HD ARG 55 2HD ARG 55 -0.659 9.668 -13.567 403 2HD ARG 55 1HD ARG 55 0.142 11.209 -13.281 404 HE ARG 55 HE ARG 55 -0.348 11.734 -15.476 405 1HH1 ARG 55 1HH2 ARG 55 -1.616 8.698 -15.132 406 2HH1 ARG 55 2HH2 ARG 55 -1.355 8.172 -16.762 407 1HH2 ARG 55 1HH1 ARG 55 -0.075 9.406 -18.157 408 2HH2 ARG 55 2HH1 ARG 55 0.645 10.879 -17.597 409 H TYR 56 H TYR 56 3.375 8.595 -12.113 410 HA TYR 56 HA TYR 56 3.428 10.486 -9.993 411 1HB TYR 56 2HB TYR 56 3.630 7.465 -10.013 412 2HB TYR 56 1HB TYR 56 3.581 8.413 -8.534 413 HD1 TYR 56 HD2 TYR 56 1.603 10.046 -11.050 414 HD2 TYR 56 HD1 TYR 56 1.530 6.778 -8.244 415 HE1 TYR 56 HE2 TYR 56 -0.869 10.026 -11.129 416 HE2 TYR 56 HE1 TYR 56 -0.943 6.769 -8.337 417 HH TYR 56 HH TYR 56 -2.707 8.299 -10.705 418 H GLY 57 H GLY 57 5.637 7.726 -10.479 419 1HA GLY 57 2HA GLY 57 7.845 7.421 -9.861 420 2HA GLY 57 1HA GLY 57 8.073 8.986 -10.630 421 H VAL 58 H VAL 58 6.071 8.580 -7.794 422 HA VAL 58 HA VAL 58 7.449 10.589 -6.346 423 HB VAL 58 HB VAL 58 5.050 10.074 -6.040 424 1HG1 VAL 58 3HG1 VAL 58 5.379 7.562 -6.206 425 2HG1 VAL 58 2HG1 VAL 58 5.962 7.610 -4.542 426 3HG1 VAL 58 1HG1 VAL 58 4.308 8.096 -4.910 427 1HG2 VAL 58 1HG2 VAL 58 6.898 9.872 -3.664 428 2HG2 VAL 58 3HG2 VAL 58 6.021 11.286 -4.250 429 3HG2 VAL 58 2HG2 VAL 58 5.147 9.963 -3.477 430 H SER 59 H SER 59 7.411 7.053 -6.143 431 HA SER 59 HA SER 59 9.409 7.075 -4.010 432 1HB SER 59 2HB SER 59 8.499 4.578 -5.386 433 2HB SER 59 1HB SER 59 8.941 4.827 -3.699 434 HG SER 59 HG SER 59 6.559 5.424 -5.054 435 H ILE 60 H ILE 60 11.521 6.742 -4.280 436 HA ILE 60 HA ILE 60 12.508 6.465 -7.004 437 HB ILE 60 HB ILE 60 14.707 7.051 -6.116 438 1HG1 ILE 60 2HG1 ILE 60 14.625 7.905 -3.641 439 2HG1 ILE 60 1HG1 ILE 60 13.286 6.781 -3.473 440 1HG2 ILE 60 1HG2 ILE 60 12.302 8.726 -5.451 441 2HG2 ILE 60 3HG2 ILE 60 13.920 9.313 -5.065 442 3HG2 ILE 60 2HG2 ILE 60 13.491 8.946 -6.736 443 1HD1 ILE 60 3HD1 ILE 60 15.675 5.688 -4.834 444 2HD1 ILE 60 2HD1 ILE 60 15.897 6.085 -3.130 445 3HD1 ILE 60 1HD1 ILE 60 14.639 4.947 -3.615 446 HA PRO 61 HA PRO 61 14.412 2.539 -5.041 447 1HB PRO 61 2HB PRO 61 12.803 1.140 -3.335 448 2HB PRO 61 1HB PRO 61 13.992 2.340 -2.804 449 1HG PRO 61 2HG PRO 61 11.041 2.539 -2.920 450 2HG PRO 61 1HG PRO 61 12.189 3.381 -1.869 451 1HD PRO 61 2HD PRO 61 10.922 4.449 -4.167 452 2HD PRO 61 1HD PRO 61 12.273 5.172 -3.272 453 H ASP 62 H ASP 62 14.295 1.287 -6.809 454 HA ASP 62 HA ASP 62 11.674 0.322 -7.742 455 1HB ASP 62 2HB ASP 62 14.359 0.653 -9.054 456 2HB ASP 62 1HB ASP 62 13.144 -0.419 -9.752 457 H ASP 63 H ASP 63 14.748 -0.752 -6.470 458 HA ASP 63 HA ASP 63 14.656 -3.468 -7.173 459 1HB ASP 63 2HB ASP 63 15.788 -2.248 -4.642 460 2HB ASP 63 1HB ASP 63 16.188 -3.835 -5.302 461 H VAL 64 H VAL 64 13.302 -1.754 -4.374 462 HA VAL 64 HA VAL 64 12.360 -4.034 -2.998 463 HB VAL 64 HB VAL 64 12.551 -1.800 -1.958 464 1HG1 VAL 64 2HG1 VAL 64 11.692 -0.542 -3.962 465 2HG1 VAL 64 1HG1 VAL 64 10.070 -1.090 -3.540 466 3HG1 VAL 64 3HG1 VAL 64 10.963 -0.045 -2.434 467 1HG2 VAL 64 2HG2 VAL 64 9.797 -3.064 -1.967 468 2HG2 VAL 64 1HG2 VAL 64 11.119 -3.397 -0.848 469 3HG2 VAL 64 3HG2 VAL 64 10.301 -1.835 -0.806 470 H ALA 65 H ALA 65 10.829 -1.916 -5.386 471 HA ALA 65 HA ALA 65 8.271 -3.129 -5.343 472 1HB ALA 65 3HB ALA 65 8.761 -0.908 -6.364 473 2HB ALA 65 2HB ALA 65 9.603 -1.735 -7.674 474 3HB ALA 65 1HB ALA 65 7.873 -1.984 -7.442 475 H GLY 66 H GLY 66 11.271 -4.020 -6.880 476 1HA GLY 66 2HA GLY 66 10.090 -5.836 -8.783 477 2HA GLY 66 1HA GLY 66 11.804 -5.689 -8.400 478 H ARG 67 H ARG 67 11.386 -6.030 -5.526 479 HA ARG 67 HA ARG 67 10.965 -8.951 -5.530 480 1HB ARG 67 2HB ARG 67 12.603 -7.140 -3.759 481 2HB ARG 67 1HB ARG 67 12.222 -8.804 -3.311 482 1HG ARG 67 2HG ARG 67 13.083 -9.180 -5.862 483 2HG ARG 67 1HG ARG 67 14.061 -7.785 -5.402 484 1HD ARG 67 2HD ARG 67 13.848 -10.367 -3.830 485 2HD ARG 67 1HD ARG 67 15.199 -9.917 -4.864 486 HE ARG 67 HE ARG 67 14.981 -7.827 -3.098 487 1HH1 ARG 67 2HH1 ARG 67 13.922 -9.752 -1.087 488 2HH1 ARG 67 1HH1 ARG 67 15.361 -10.378 -0.354 489 1HH2 ARG 67 1HH2 ARG 67 17.449 -9.292 -2.900 490 2HH2 ARG 67 2HH2 ARG 67 17.357 -10.117 -1.380 491 H VAL 68 H VAL 68 8.834 -6.887 -5.335 492 HA VAL 68 HA VAL 68 7.944 -6.767 -2.628 493 HB VAL 68 HB VAL 68 7.183 -5.142 -4.313 494 1HG1 VAL 68 2HG1 VAL 68 7.042 -6.969 -6.143 495 2HG1 VAL 68 1HG1 VAL 68 5.437 -7.293 -5.497 496 3HG1 VAL 68 3HG1 VAL 68 5.816 -5.703 -6.149 497 1HG2 VAL 68 2HG2 VAL 68 5.677 -6.277 -2.315 498 2HG2 VAL 68 1HG2 VAL 68 5.195 -4.861 -3.248 499 3HG2 VAL 68 3HG2 VAL 68 4.611 -6.460 -3.708 500 H ASP 69 H ASP 69 7.596 -8.588 -1.545 501 HA ASP 69 HA ASP 69 6.405 -10.910 -2.858 502 1HB ASP 69 2HB ASP 69 8.356 -10.865 -1.086 503 2HB ASP 69 1HB ASP 69 7.022 -10.833 0.066 504 H THR 70 H THR 70 5.413 -8.248 -0.904 505 HA THR 70 HA THR 70 2.838 -9.600 -0.367 506 HB THR 70 HB THR 70 2.653 -7.741 1.436 507 HG1 THR 70 HG1 THR 70 4.728 -7.124 2.198 508 1HG2 THR 70 2HG2 THR 70 4.210 -10.275 1.460 509 2HG2 THR 70 1HG2 THR 70 4.388 -9.223 2.864 510 3HG2 THR 70 3HG2 THR 70 2.792 -9.816 2.403 511 HA PRO 71 HA PRO 71 1.056 -6.396 -2.859 512 1HB PRO 71 2HB PRO 71 -1.521 -6.489 -1.967 513 2HB PRO 71 1HB PRO 71 -0.802 -7.732 -3.003 514 1HG PRO 71 2HG PRO 71 -1.438 -7.833 -0.109 515 2HG PRO 71 1HG PRO 71 -1.361 -9.145 -1.293 516 1HD PRO 71 2HD PRO 71 0.623 -8.503 0.615 517 2HD PRO 71 1HD PRO 71 0.817 -9.599 -0.773 518 H ARG 72 H ARG 72 0.045 -6.316 0.555 519 HA ARG 72 HA ARG 72 -0.784 -3.650 0.717 520 1HB ARG 72 2HB ARG 72 -0.789 -5.651 2.477 521 2HB ARG 72 1HB ARG 72 0.660 -4.822 3.045 522 1HG ARG 72 2HG ARG 72 -0.504 -2.881 3.606 523 2HG ARG 72 1HG ARG 72 -1.818 -3.225 2.481 524 1HD ARG 72 2HD ARG 72 -2.488 -5.151 3.925 525 2HD ARG 72 1HD ARG 72 -1.247 -4.675 5.079 526 HE ARG 72 HE ARG 72 -2.512 -2.586 5.405 527 1HH1 ARG 72 1HH2 ARG 72 -4.442 -1.979 3.593 528 2HH1 ARG 72 2HH2 ARG 72 -5.876 -2.856 4.012 529 1HH2 ARG 72 2HH1 ARG 72 -4.214 -5.130 6.034 530 2HH2 ARG 72 1HH1 ARG 72 -5.747 -4.640 5.393 531 H GLU 73 H GLU 73 2.420 -4.959 0.455 532 HA GLU 73 HA GLU 73 3.804 -2.716 1.592 533 1HB GLU 73 2HB GLU 73 4.713 -5.093 1.289 534 2HB GLU 73 1HB GLU 73 4.955 -4.661 -0.404 535 1HG GLU 73 2HG GLU 73 7.021 -4.136 0.618 536 2HG GLU 73 1HG GLU 73 6.196 -2.583 0.500 537 H LEU 74 H LEU 74 2.940 -3.748 -1.687 538 HA LEU 74 HA LEU 74 4.315 -1.747 -3.110 539 1HB LEU 74 2HB LEU 74 2.748 -3.888 -3.808 540 2HB LEU 74 1HB LEU 74 1.705 -2.533 -4.239 541 HG LEU 74 HG LEU 74 3.961 -1.587 -5.289 542 1HD1 LEU 74 3HD1 LEU 74 4.327 -4.594 -5.198 543 2HD1 LEU 74 2HD1 LEU 74 5.194 -3.550 -6.325 544 3HD1 LEU 74 1HD1 LEU 74 5.431 -3.361 -4.588 545 1HD2 LEU 74 2HD2 LEU 74 1.722 -2.306 -6.380 546 2HD2 LEU 74 1HD2 LEU 74 3.160 -2.301 -7.401 547 3HD2 LEU 74 3HD2 LEU 74 2.546 -3.821 -6.749 548 H LEU 75 H LEU 75 0.994 -1.847 -1.863 549 HA LEU 75 HA LEU 75 0.151 0.676 -2.790 550 1HB LEU 75 2HB LEU 75 -1.421 -0.994 -1.916 551 2HB LEU 75 1HB LEU 75 -0.699 -0.862 -0.317 552 HG LEU 75 HG LEU 75 -1.305 1.701 -0.582 553 1HD1 LEU 75 2HD1 LEU 75 -3.172 0.319 -2.523 554 2HD1 LEU 75 1HD1 LEU 75 -3.466 1.917 -1.843 555 3HD1 LEU 75 3HD1 LEU 75 -2.064 1.646 -2.873 556 1HD2 LEU 75 1HD2 LEU 75 -3.361 -0.464 -0.060 557 2HD2 LEU 75 3HD2 LEU 75 -2.227 0.196 1.120 558 3HD2 LEU 75 2HD2 LEU 75 -3.502 1.218 0.454 559 H ASP 76 H ASP 76 1.492 -0.267 0.376 560 HA ASP 76 HA ASP 76 1.546 2.391 1.390 561 1HB ASP 76 2HB ASP 76 1.652 0.136 2.677 562 2HB ASP 76 1HB ASP 76 3.387 0.231 2.372 563 H LEU 77 H LEU 77 3.524 0.878 -0.930 564 HA LEU 77 HA LEU 77 5.964 2.262 -0.236 565 1HB LEU 77 2HB LEU 77 5.717 0.024 -1.537 566 2HB LEU 77 1HB LEU 77 5.421 1.060 -2.934 567 HG LEU 77 HG LEU 77 7.566 2.306 -2.248 568 1HD1 LEU 77 3HD1 LEU 77 7.872 -0.252 -0.645 569 2HD1 LEU 77 2HD1 LEU 77 9.169 0.902 -0.954 570 3HD1 LEU 77 1HD1 LEU 77 7.773 1.384 0.009 571 1HD2 LEU 77 1HD2 LEU 77 7.275 0.620 -4.148 572 2HD2 LEU 77 3HD2 LEU 77 8.918 0.808 -3.537 573 3HD2 LEU 77 2HD2 LEU 77 7.953 -0.587 -3.054 574 H ILE 78 H ILE 78 3.788 2.432 -3.074 575 HA ILE 78 HA ILE 78 4.918 4.920 -3.959 576 HB ILE 78 HB ILE 78 2.291 3.651 -4.772 577 1HG1 ILE 78 2HG1 ILE 78 4.805 3.420 -6.380 578 2HG1 ILE 78 1HG1 ILE 78 4.628 2.367 -4.977 579 1HG2 ILE 78 2HG2 ILE 78 2.584 6.027 -5.428 580 2HG2 ILE 78 1HG2 ILE 78 4.118 5.614 -6.195 581 3HG2 ILE 78 3HG2 ILE 78 2.608 4.957 -6.829 582 1HD1 ILE 78 1HD1 ILE 78 2.329 2.617 -6.881 583 2HD1 ILE 78 3HD1 ILE 78 3.704 1.612 -7.339 584 3HD1 ILE 78 2HD1 ILE 78 2.799 1.251 -5.869 585 H ASN 79 H ASN 79 1.958 3.980 -2.304 586 HA ASN 79 HA ASN 79 0.755 6.535 -2.186 587 1HB ASN 79 2HB ASN 79 -0.410 4.350 -1.766 588 2HB ASN 79 1HB ASN 79 0.417 4.270 -0.212 589 1HD2 ASN 79 2HD2 ASN 79 -2.700 5.839 0.742 590 2HD2 ASN 79 1HD2 ASN 79 -2.029 4.306 0.457 591 H GLY 80 H GLY 80 2.832 4.765 0.090 592 1HA GLY 80 2HA GLY 80 2.750 6.655 2.187 593 2HA GLY 80 1HA GLY 80 4.023 5.464 1.937 594 H ALA 81 H ALA 81 4.855 6.342 -0.638 595 HA ALA 81 HA ALA 81 6.693 8.384 0.104 596 1HB ALA 81 3HB ALA 81 5.962 7.194 -2.577 597 2HB ALA 81 2HB ALA 81 7.227 8.405 -2.371 598 3HB ALA 81 1HB ALA 81 7.376 6.834 -1.587 599 H LEU 82 H LEU 82 3.612 8.369 -1.567 600 HA LEU 82 HA LEU 82 3.769 11.060 -2.538 601 1HB LEU 82 2HB LEU 82 1.658 8.968 -2.342 602 2HB LEU 82 1HB LEU 82 1.129 10.642 -2.505 603 HG LEU 82 HG LEU 82 3.321 9.728 -4.309 604 1HD1 LEU 82 3HD1 LEU 82 1.403 7.948 -4.175 605 2HD1 LEU 82 2HD1 LEU 82 0.465 9.150 -5.060 606 3HD1 LEU 82 1HD1 LEU 82 1.948 8.500 -5.759 607 1HD2 LEU 82 1HD2 LEU 82 0.993 11.636 -4.349 608 2HD2 LEU 82 3HD2 LEU 82 2.700 11.960 -4.657 609 3HD2 LEU 82 2HD2 LEU 82 1.729 11.120 -5.866 610 H ALA 83 H ALA 83 2.737 9.557 0.446 611 HA ALA 83 HA ALA 83 1.296 11.815 1.461 612 1HB ALA 83 3HB ALA 83 2.501 9.414 2.854 613 2HB ALA 83 2HB ALA 83 1.486 10.618 3.649 614 3HB ALA 83 1HB ALA 83 0.821 9.617 2.357 615 H GLU 84 H GLU 84 4.621 10.701 1.597 616 HA GLU 84 HA GLU 84 5.454 12.572 3.614 617 1HB GLU 84 2HB GLU 84 6.851 10.685 1.752 618 2HB GLU 84 1HB GLU 84 7.783 11.936 2.576 619 1HG GLU 84 2HG GLU 84 6.407 11.054 4.687 620 2HG GLU 84 1HG GLU 84 6.347 9.579 3.720 621 H ALA 85 H ALA 85 5.427 12.496 0.092 622 HA ALA 85 HA ALA 85 7.019 14.810 -0.327 623 1HB ALA 85 2HB ALA 85 4.894 13.530 -2.059 624 2HB ALA 85 1HB ALA 85 5.950 14.840 -2.588 625 3HB ALA 85 3HB ALA 85 6.636 13.274 -2.158 626 H ALA 86 HN ALA 86 3.529 14.298 -0.009 627 HA ALA 86 HA ALA 86 3.045 17.183 -0.200 628 1HB ALA 86 2HB ALA 86 1.574 15.347 -1.292 629 2HB ALA 86 1HB ALA 86 0.933 15.108 0.334 630 3HB ALA 86 3HB ALA 86 0.769 16.676 -0.457 No H/Q in entry = 630 Start of MODEL 9 1 1H MET 1 1H MET 1 -11.839 5.676 -9.783 2 2H MET 1 3H MET 1 -12.541 6.722 -8.647 3 3H MET 1 2H MET 1 -13.117 6.696 -10.245 4 HA MET 1 HA MET 1 -11.163 7.684 -11.087 5 1HB MET 1 2HB MET 1 -12.175 8.948 -8.533 6 2HB MET 1 1HB MET 1 -11.010 9.755 -9.583 7 1HG MET 1 2HG MET 1 -12.612 9.468 -11.490 8 2HG MET 1 1HG MET 1 -13.790 8.820 -10.349 9 1HE MET 1 3HE MET 1 -12.559 11.646 -12.197 10 2HE MET 1 2HE MET 1 -12.611 13.090 -11.188 11 3HE MET 1 1HE MET 1 -11.348 11.889 -10.932 12 H ALA 2 H ALA 2 -9.002 8.506 -10.706 13 HA ALA 2 HA ALA 2 -7.582 6.936 -8.646 14 1HB ALA 2 3HB ALA 2 -6.571 8.138 -11.235 15 2HB ALA 2 2HB ALA 2 -5.571 7.275 -10.066 16 3HB ALA 2 1HB ALA 2 -6.862 6.427 -10.919 17 H THR 3 H THR 3 -8.092 8.528 -7.020 18 HA THR 3 HA THR 3 -6.588 11.050 -7.305 19 HB THR 3 HB THR 3 -8.498 10.687 -5.061 20 HG1 THR 3 HG1 THR 3 -9.842 9.975 -6.587 21 1HG2 THR 3 2HG2 THR 3 -7.512 12.881 -6.860 22 2HG2 THR 3 1HG2 THR 3 -9.016 13.089 -5.964 23 3HG2 THR 3 3HG2 THR 3 -7.506 12.802 -5.098 24 H LEU 4 H LEU 4 -6.933 8.154 -5.447 25 HA LEU 4 HA LEU 4 -4.539 8.891 -3.903 26 1HB LEU 4 2HB LEU 4 -7.162 7.910 -2.784 27 2HB LEU 4 1HB LEU 4 -5.641 7.689 -1.919 28 HG LEU 4 HG LEU 4 -6.328 10.410 -2.978 29 1HD1 LEU 4 1HD1 LEU 4 -7.401 9.177 -0.421 30 2HD1 LEU 4 3HD1 LEU 4 -7.478 10.893 -0.820 31 3HD1 LEU 4 2HD1 LEU 4 -8.358 9.721 -1.799 32 1HD2 LEU 4 2HD2 LEU 4 -4.103 9.778 -1.925 33 2HD2 LEU 4 1HD2 LEU 4 -4.934 11.127 -1.151 34 3HD2 LEU 4 3HD2 LEU 4 -4.975 9.525 -0.413 35 H LEU 5 H LEU 5 -3.527 6.984 -2.865 36 HA LEU 5 HA LEU 5 -3.747 4.651 -4.650 37 1HB LEU 5 2HB LEU 5 -1.558 5.850 -3.012 38 2HB LEU 5 1HB LEU 5 -1.540 4.105 -3.247 39 HG LEU 5 HG LEU 5 -0.246 5.423 -4.983 40 1HD1 LEU 5 2HD1 LEU 5 -1.332 3.103 -5.284 41 2HD1 LEU 5 1HD1 LEU 5 -2.560 3.945 -6.232 42 3HD1 LEU 5 3HD1 LEU 5 -0.871 3.981 -6.744 43 1HD2 LEU 5 1HD2 LEU 5 -2.306 7.144 -5.019 44 2HD2 LEU 5 3HD2 LEU 5 -1.281 6.897 -6.431 45 3HD2 LEU 5 2HD2 LEU 5 -2.839 6.078 -6.320 46 H THR 6 H THR 6 -5.742 4.085 -3.505 47 HA THR 6 HA THR 6 -5.393 3.061 -0.782 48 HB THR 6 HB THR 6 -7.789 2.747 -0.766 49 HG1 THR 6 HG1 THR 6 -7.651 3.455 -3.508 50 1HG2 THR 6 2HG2 THR 6 -6.815 5.333 -1.978 51 2HG2 THR 6 1HG2 THR 6 -8.504 5.106 -1.526 52 3HG2 THR 6 3HG2 THR 6 -7.243 5.001 -0.299 53 H THR 7 H THR 7 -6.652 0.920 -0.412 54 HA THR 7 HA THR 7 -5.206 -1.169 -1.610 55 HB THR 7 HB THR 7 -7.917 -1.397 -0.283 56 HG1 THR 7 HG1 THR 7 -5.339 -1.513 0.884 57 1HG2 THR 7 3HG2 THR 7 -6.906 -3.378 -1.535 58 2HG2 THR 7 2HG2 THR 7 -5.624 -3.359 -0.325 59 3HG2 THR 7 1HG2 THR 7 -7.293 -3.651 0.164 60 H ASP 8 H ASP 8 -8.427 0.123 -2.268 61 HA ASP 8 HA ASP 8 -9.247 -1.779 -4.178 62 1HB ASP 8 2HB ASP 8 -9.963 1.131 -3.801 63 2HB ASP 8 1HB ASP 8 -10.703 0.124 -5.045 64 H ASP 9 H ASP 9 -7.151 1.015 -4.388 65 HA ASP 9 HA ASP 9 -7.100 1.276 -7.214 66 1HB ASP 9 2HB ASP 9 -6.251 3.005 -5.598 67 2HB ASP 9 1HB ASP 9 -4.868 1.958 -5.282 68 H LEU 10 H LEU 10 -4.817 -0.310 -4.961 69 HA LEU 10 HA LEU 10 -3.154 -1.367 -6.974 70 1HB LEU 10 2HB LEU 10 -1.997 -2.450 -5.285 71 2HB LEU 10 1HB LEU 10 -2.786 -1.167 -4.380 72 HG LEU 10 HG LEU 10 -4.696 -3.056 -4.163 73 1HD1 LEU 10 3HD1 LEU 10 -2.944 -4.511 -5.523 74 2HD1 LEU 10 2HD1 LEU 10 -2.246 -4.754 -3.923 75 3HD1 LEU 10 1HD1 LEU 10 -3.916 -5.233 -4.240 76 1HD2 LEU 10 2HD2 LEU 10 -3.476 -1.863 -2.326 77 2HD2 LEU 10 1HD2 LEU 10 -3.783 -3.563 -1.965 78 3HD2 LEU 10 3HD2 LEU 10 -2.176 -3.046 -2.477 79 H ARG 11 H ARG 11 -6.209 -2.443 -5.721 80 HA ARG 11 HA ARG 11 -6.086 -5.157 -6.538 81 1HB ARG 11 2HB ARG 11 -7.857 -3.765 -5.070 82 2HB ARG 11 1HB ARG 11 -8.707 -3.757 -6.614 83 1HG ARG 11 2HG ARG 11 -7.806 -6.384 -6.396 84 2HG ARG 11 1HG ARG 11 -8.267 -5.972 -4.744 85 1HD ARG 11 2HD ARG 11 -10.120 -5.207 -6.962 86 2HD ARG 11 1HD ARG 11 -10.057 -6.898 -6.477 87 HE ARG 11 HE ARG 11 -10.536 -4.797 -4.453 88 1HH1 ARG 11 2HH1 ARG 11 -10.657 -7.866 -4.033 89 2HH1 ARG 11 1HH1 ARG 11 -12.369 -8.115 -3.973 90 1HH2 ARG 11 1HH2 ARG 11 -13.135 -5.012 -5.319 91 2HH2 ARG 11 2HH2 ARG 11 -13.772 -6.499 -4.700 92 H ARG 12 H ARG 12 -7.666 -2.345 -8.056 93 HA ARG 12 HA ARG 12 -8.439 -3.634 -10.428 94 1HB ARG 12 2HB ARG 12 -9.029 -1.252 -9.500 95 2HB ARG 12 1HB ARG 12 -7.631 -0.747 -10.448 96 1HG ARG 12 2HG ARG 12 -9.221 -0.574 -12.098 97 2HG ARG 12 1HG ARG 12 -8.844 -2.285 -12.290 98 1HD ARG 12 2HD ARG 12 -11.014 -2.725 -11.894 99 2HD ARG 12 1HD ARG 12 -10.760 -2.196 -10.236 100 HE ARG 12 HE ARG 12 -12.016 -0.661 -12.381 101 1HH1 ARG 12 1HH2 ARG 12 -10.638 1.537 -11.406 102 2HH1 ARG 12 2HH2 ARG 12 -11.399 1.998 -9.919 103 1HH2 ARG 12 2HH1 ARG 12 -13.008 -1.046 -9.494 104 2HH2 ARG 12 1HH1 ARG 12 -12.741 0.534 -8.837 105 H ALA 13 H ALA 13 -5.371 -2.297 -9.423 106 HA ALA 13 HA ALA 13 -4.187 -2.171 -12.025 107 1HB ALA 13 1HB ALA 13 -3.419 -1.048 -9.794 108 2HB ALA 13 3HB ALA 13 -2.586 -2.578 -9.517 109 3HB ALA 13 2HB ALA 13 -2.201 -1.607 -10.940 110 H LEU 14 H LEU 14 -4.444 -4.619 -9.519 111 HA LEU 14 HA LEU 14 -2.597 -6.443 -10.780 112 1HB LEU 14 2HB LEU 14 -4.426 -6.543 -8.415 113 2HB LEU 14 1HB LEU 14 -3.846 -8.062 -9.100 114 HG LEU 14 HG LEU 14 -1.789 -5.955 -8.727 115 1HD1 LEU 14 2HD1 LEU 14 -3.506 -6.154 -6.649 116 2HD1 LEU 14 1HD1 LEU 14 -2.433 -7.501 -6.268 117 3HD1 LEU 14 3HD1 LEU 14 -1.779 -5.872 -6.435 118 1HD2 LEU 14 2HD2 LEU 14 -1.668 -8.519 -9.439 119 2HD2 LEU 14 1HD2 LEU 14 -0.389 -7.786 -8.472 120 3HD2 LEU 14 3HD2 LEU 14 -1.634 -8.762 -7.692 121 H VAL 15 H VAL 15 -5.994 -5.748 -11.025 122 HA VAL 15 HA VAL 15 -6.619 -8.282 -12.316 123 HB VAL 15 HB VAL 15 -8.369 -5.829 -12.052 124 1HG1 VAL 15 3HG1 VAL 15 -8.746 -8.666 -12.933 125 2HG1 VAL 15 2HG1 VAL 15 -10.070 -7.873 -12.079 126 3HG1 VAL 15 1HG1 VAL 15 -9.454 -7.187 -13.583 127 1HG2 VAL 15 2HG2 VAL 15 -7.490 -7.819 -10.071 128 2HG2 VAL 15 1HG2 VAL 15 -8.300 -6.273 -9.825 129 3HG2 VAL 15 3HG2 VAL 15 -9.246 -7.710 -10.208 130 H GLU 16 H GLU 16 -5.633 -5.081 -13.216 131 HA GLU 16 HA GLU 16 -6.711 -4.927 -15.813 132 1HB GLU 16 2HB GLU 16 -5.452 -3.125 -14.428 133 2HB GLU 16 1HB GLU 16 -3.996 -3.830 -15.131 134 1HG GLU 16 2HG GLU 16 -5.205 -3.588 -17.402 135 2HG GLU 16 1HG GLU 16 -6.306 -2.504 -16.550 136 H CYS 17 H CYS 17 -3.556 -6.137 -14.675 137 HA CYS 17 HA CYS 17 -2.968 -7.187 -17.343 138 1HB CYS 17 2HB CYS 17 -1.410 -6.685 -14.862 139 2HB CYS 17 1HB CYS 17 -0.877 -8.029 -15.871 140 HG CYS 17 HG CYS 17 0.112 -6.359 -17.398 141 H ALA 18 H ALA 18 -5.053 -8.317 -15.298 142 HA ALA 18 HA ALA 18 -3.992 -11.004 -14.889 143 1HB ALA 18 1HB ALA 18 -6.697 -9.816 -14.220 144 2HB ALA 18 3HB ALA 18 -6.156 -11.436 -13.777 145 3HB ALA 18 2HB ALA 18 -5.347 -10.020 -13.102 146 H GLY 19 H GLY 19 -7.106 -9.831 -16.172 147 1HA GLY 19 2HA GLY 19 -6.832 -11.096 -18.708 148 2HA GLY 19 1HA GLY 19 -7.771 -12.114 -17.618 149 H GLU 20 H GLU 20 -9.822 -11.497 -16.999 150 HA GLU 20 HA GLU 20 -10.884 -8.994 -18.153 151 1HB GLU 20 2HB GLU 20 -11.415 -11.123 -19.522 152 2HB GLU 20 1HB GLU 20 -12.481 -11.547 -18.182 153 1HG GLU 20 2HG GLU 20 -13.831 -9.624 -18.501 154 2HG GLU 20 1HG GLU 20 -12.620 -8.842 -19.518 155 H THR 21 H THR 21 -11.597 -11.752 -16.025 156 HA THR 21 HA THR 21 -12.091 -10.205 -13.731 157 HB THR 21 HB THR 21 -14.073 -9.369 -14.848 158 HG1 THR 21 HG1 THR 21 -14.871 -11.435 -13.086 159 1HG2 THR 21 1HG2 THR 21 -14.083 -11.684 -16.248 160 2HG2 THR 21 3HG2 THR 21 -15.340 -12.043 -15.065 161 3HG2 THR 21 2HG2 THR 21 -15.494 -10.634 -16.116 162 H ASP 22 H ASP 22 -11.541 -11.605 -12.218 163 HA ASP 22 HA ASP 22 -11.932 -14.466 -12.650 164 1HB ASP 22 2HB ASP 22 -10.495 -12.914 -10.489 165 2HB ASP 22 1HB ASP 22 -10.622 -14.673 -10.518 166 H GLY 23 H GLY 23 -13.888 -12.080 -11.472 167 1HA GLY 23 2HA GLY 23 -15.972 -12.415 -10.452 168 2HA GLY 23 1HA GLY 23 -15.433 -14.002 -9.912 169 H THR 24 H THR 24 -13.557 -13.896 -8.288 170 HA THR 24 HA THR 24 -12.791 -13.307 -6.206 171 HB THR 24 HB THR 24 -13.799 -10.519 -6.461 172 HG1 THR 24 HG1 THR 24 -11.659 -11.591 -7.979 173 1HG2 THR 24 2HG2 THR 24 -12.345 -11.446 -4.584 174 2HG2 THR 24 1HG2 THR 24 -11.053 -11.577 -5.777 175 3HG2 THR 24 3HG2 THR 24 -11.734 -9.998 -5.383 176 H ASP 25 H ASP 25 -13.664 -13.668 -4.278 177 HA ASP 25 HA ASP 25 -16.471 -12.841 -3.830 178 1HB ASP 25 2HB ASP 25 -16.096 -15.336 -4.241 179 2HB ASP 25 1HB ASP 25 -15.259 -15.354 -2.689 180 H LEU 26 H LEU 26 -13.606 -11.870 -2.967 181 HA LEU 26 HA LEU 26 -14.426 -11.237 -0.246 182 1HB LEU 26 2HB LEU 26 -12.215 -11.901 0.688 183 2HB LEU 26 1HB LEU 26 -13.168 -13.276 0.131 184 HG LEU 26 HG LEU 26 -11.787 -12.592 -2.152 185 1HD1 LEU 26 3HD1 LEU 26 -10.512 -11.037 -0.395 186 2HD1 LEU 26 2HD1 LEU 26 -9.652 -12.541 -0.062 187 3HD1 LEU 26 1HD1 LEU 26 -9.644 -11.864 -1.690 188 1HD2 LEU 26 3HD2 LEU 26 -11.400 -14.598 0.039 189 2HD2 LEU 26 2HD2 LEU 26 -11.834 -14.856 -1.651 190 3HD2 LEU 26 1HD2 LEU 26 -10.166 -14.485 -1.216 191 H SER 27 H SER 27 -14.195 -9.122 -0.089 192 HA SER 27 HA SER 27 -11.896 -7.839 -1.446 193 1HB SER 27 2HB SER 27 -14.056 -7.298 -2.548 194 2HB SER 27 1HB SER 27 -14.649 -6.654 -1.020 195 HG SER 27 HG SER 27 -12.289 -5.773 -2.334 196 H GLY 28 H GLY 28 -11.750 -8.820 1.152 197 1HA GLY 28 2HA GLY 28 -12.021 -6.440 2.874 198 2HA GLY 28 1HA GLY 28 -11.829 -8.094 3.443 199 H ASP 29 H ASP 29 -9.737 -9.147 3.032 200 HA ASP 29 HA ASP 29 -7.557 -7.217 3.413 201 1HB ASP 29 2HB ASP 29 -7.761 -10.190 3.914 202 2HB ASP 29 1HB ASP 29 -6.260 -9.279 4.081 203 H PHE 30 H PHE 30 -7.769 -10.407 1.840 204 HA PHE 30 HA PHE 30 -6.605 -11.279 0.049 205 1HB PHE 30 2HB PHE 30 -6.998 -10.042 -2.085 206 2HB PHE 30 1HB PHE 30 -8.447 -10.342 -1.140 207 HD1 PHE 30 HD2 PHE 30 -6.020 -7.764 -2.206 208 HD2 PHE 30 HD1 PHE 30 -9.680 -8.553 -0.097 209 HE1 PHE 30 HE2 PHE 30 -6.527 -5.341 -2.186 210 HE2 PHE 30 HE1 PHE 30 -10.190 -6.131 -0.077 211 HZ PHE 30 HZ PHE 30 -8.616 -4.521 -1.121 212 H LEU 31 H LEU 31 -4.973 -9.698 1.817 213 HA LEU 31 HA LEU 31 -2.838 -9.031 -0.099 214 1HB LEU 31 2HB LEU 31 -3.657 -7.384 2.302 215 2HB LEU 31 1HB LEU 31 -2.149 -7.155 1.414 216 HG LEU 31 HG LEU 31 -4.747 -7.206 -0.087 217 1HD1 LEU 31 2HD1 LEU 31 -4.468 -5.479 2.016 218 2HD1 LEU 31 1HD1 LEU 31 -3.743 -4.541 0.710 219 3HD1 LEU 31 3HD1 LEU 31 -5.401 -5.125 0.562 220 1HD2 LEU 31 1HD2 LEU 31 -1.948 -6.223 -0.466 221 2HD2 LEU 31 3HD2 LEU 31 -2.992 -7.092 -1.589 222 3HD2 LEU 31 2HD2 LEU 31 -3.250 -5.372 -1.299 223 H ASP 32 H ASP 32 -2.391 -11.319 0.550 224 HA ASP 32 HA ASP 32 -0.588 -11.316 2.883 225 1HB ASP 32 2HB ASP 32 -2.835 -13.218 2.314 226 2HB ASP 32 1HB ASP 32 -1.380 -13.811 3.115 227 H LEU 33 H LEU 33 -1.692 -13.164 0.050 228 HA LEU 33 HA LEU 33 1.105 -13.542 -0.756 229 1HB LEU 33 2HB LEU 33 0.685 -15.951 -1.228 230 2HB LEU 33 1HB LEU 33 0.624 -15.574 0.493 231 HG LEU 33 HG LEU 33 -1.928 -15.412 -1.049 232 1HD1 LEU 33 2HD1 LEU 33 -0.628 -18.008 -0.167 233 2HD1 LEU 33 1HD1 LEU 33 -2.294 -17.845 -0.723 234 3HD1 LEU 33 3HD1 LEU 33 -0.959 -17.528 -1.832 235 1HD2 LEU 33 2HD2 LEU 33 -1.057 -16.223 1.735 236 2HD2 LEU 33 1HD2 LEU 33 -2.030 -14.828 1.269 237 3HD2 LEU 33 3HD2 LEU 33 -2.707 -16.451 1.155 238 H ARG 34 H ARG 34 -1.063 -11.891 -1.723 239 HA ARG 34 HA ARG 34 -2.376 -12.986 -3.961 240 1HB ARG 34 2HB ARG 34 -2.563 -10.624 -2.720 241 2HB ARG 34 1HB ARG 34 -1.526 -10.132 -4.060 242 1HG ARG 34 2HG ARG 34 -3.862 -11.847 -4.744 243 2HG ARG 34 1HG ARG 34 -4.215 -10.190 -4.254 244 1HD ARG 34 2HD ARG 34 -2.232 -9.638 -5.932 245 2HD ARG 34 1HD ARG 34 -2.699 -11.183 -6.633 246 HE ARG 34 HE ARG 34 -4.103 -8.742 -6.936 247 1HH1 ARG 34 2HH1 ARG 34 -4.266 -11.755 -8.104 248 2HH1 ARG 34 1HH1 ARG 34 -5.983 -11.964 -8.021 249 1HH2 ARG 34 1HH2 ARG 34 -6.493 -9.162 -6.042 250 2HH2 ARG 34 2HH2 ARG 34 -7.244 -10.496 -6.852 251 H PHE 35 H PHE 35 0.853 -11.690 -3.536 252 HA PHE 35 HA PHE 35 1.422 -11.649 -6.383 253 1HB PHE 35 2HB PHE 35 2.993 -11.074 -3.892 254 2HB PHE 35 1HB PHE 35 3.840 -11.348 -5.413 255 HD1 PHE 35 HD2 PHE 35 0.617 -9.616 -4.546 256 HD2 PHE 35 HD1 PHE 35 4.511 -9.311 -6.341 257 HE1 PHE 35 HE2 PHE 35 0.120 -7.288 -5.238 258 HE2 PHE 35 HE1 PHE 35 4.010 -6.985 -7.025 259 HZ PHE 35 HZ PHE 35 1.820 -5.972 -6.476 260 H GLU 36 H GLU 36 2.096 -13.709 -3.597 261 HA GLU 36 HA GLU 36 3.562 -15.600 -5.307 262 1HB GLU 36 2HB GLU 36 3.328 -15.193 -2.347 263 2HB GLU 36 1HB GLU 36 3.783 -16.780 -2.968 264 1HG GLU 36 2HG GLU 36 5.434 -15.287 -4.460 265 2HG GLU 36 1HG GLU 36 5.279 -14.203 -3.076 266 H ASP 37 H ASP 37 1.282 -15.809 -6.319 267 HA ASP 37 HA ASP 37 0.292 -18.382 -5.743 268 1HB ASP 37 2HB ASP 37 -0.656 -17.061 -3.766 269 2HB ASP 37 1HB ASP 37 -1.669 -16.229 -4.945 270 H ILE 38 H ILE 38 -1.018 -15.221 -6.733 271 HA ILE 38 HA ILE 38 -2.579 -16.205 -8.872 272 HB ILE 38 HB ILE 38 -2.760 -13.953 -7.719 273 1HG1 ILE 38 2HG1 ILE 38 -3.987 -14.530 -9.815 274 2HG1 ILE 38 1HG1 ILE 38 -3.626 -12.814 -9.671 275 1HG2 ILE 38 1HG2 ILE 38 -0.269 -13.469 -8.014 276 2HG2 ILE 38 3HG2 ILE 38 -0.661 -13.029 -9.676 277 3HG2 ILE 38 2HG2 ILE 38 -1.381 -12.139 -8.335 278 1HD1 ILE 38 1HD1 ILE 38 -1.421 -13.693 -11.036 279 2HD1 ILE 38 3HD1 ILE 38 -2.664 -14.783 -11.651 280 3HD1 ILE 38 2HD1 ILE 38 -2.866 -13.039 -11.803 281 H GLY 39 H GLY 39 0.753 -15.107 -8.648 282 1HA GLY 39 2HA GLY 39 2.356 -16.255 -10.151 283 2HA GLY 39 1HA GLY 39 1.189 -15.992 -11.444 284 H TYR 40 H TYR 40 2.065 -13.677 -8.924 285 HA TYR 40 HA TYR 40 3.166 -11.909 -11.026 286 1HB TYR 40 2HB TYR 40 1.365 -11.410 -8.719 287 2HB TYR 40 1HB TYR 40 2.619 -10.202 -8.990 288 HD1 TYR 40 HD1 TYR 40 2.977 -9.792 -11.707 289 HD2 TYR 40 HD2 TYR 40 -0.674 -10.899 -9.729 290 HE1 TYR 40 HE1 TYR 40 1.667 -8.845 -13.587 291 HE2 TYR 40 HE2 TYR 40 -1.980 -9.950 -11.607 292 HH TYR 40 HH TYR 40 -1.145 -9.515 -14.388 293 H ASP 41 H ASP 41 5.146 -13.246 -10.558 294 HA ASP 41 HA ASP 41 6.489 -13.071 -8.077 295 1HB ASP 41 2HB ASP 41 8.558 -13.599 -9.457 296 2HB ASP 41 1HB ASP 41 7.236 -14.753 -9.574 297 H SER 42 H SER 42 6.906 -11.179 -11.075 298 HA SER 42 HA SER 42 7.282 -8.711 -9.820 299 1HB SER 42 2HB SER 42 9.862 -8.609 -10.393 300 2HB SER 42 1HB SER 42 9.309 -9.200 -8.829 301 HG SER 42 HG SER 42 10.764 -10.476 -10.590 302 H LEU 43 H LEU 43 8.661 -10.681 -12.446 303 HA LEU 43 HA LEU 43 9.046 -8.624 -14.307 304 1HB LEU 43 2HB LEU 43 8.946 -10.424 -16.025 305 2HB LEU 43 1HB LEU 43 10.002 -10.819 -14.669 306 HG LEU 43 HG LEU 43 7.618 -11.803 -13.762 307 1HD1 LEU 43 3HD1 LEU 43 6.538 -11.265 -15.946 308 2HD1 LEU 43 2HD1 LEU 43 7.695 -12.326 -16.750 309 3HD1 LEU 43 1HD1 LEU 43 6.535 -12.994 -15.602 310 1HD2 LEU 43 1HD2 LEU 43 9.946 -12.870 -13.989 311 2HD2 LEU 43 3HD2 LEU 43 8.564 -13.955 -14.146 312 3HD2 LEU 43 2HD2 LEU 43 9.422 -13.404 -15.586 313 H ALA 44 H ALA 44 6.161 -10.455 -13.482 314 HA ALA 44 HA ALA 44 4.625 -9.478 -15.721 315 1HB ALA 44 3HB ALA 44 3.905 -10.982 -13.208 316 2HB ALA 44 2HB ALA 44 2.686 -10.431 -14.356 317 3HB ALA 44 1HB ALA 44 3.924 -11.577 -14.869 318 H LEU 45 H LEU 45 4.764 -8.781 -12.243 319 HA LEU 45 HA LEU 45 2.813 -6.658 -12.436 320 1HB LEU 45 2HB LEU 45 3.302 -6.296 -10.054 321 2HB LEU 45 1HB LEU 45 2.991 -7.992 -10.404 322 HG LEU 45 HG LEU 45 5.711 -7.841 -10.781 323 1HD1 LEU 45 2HD1 LEU 45 5.125 -5.455 -9.518 324 2HD1 LEU 45 1HD1 LEU 45 5.557 -6.506 -8.168 325 3HD1 LEU 45 3HD1 LEU 45 6.693 -6.260 -9.494 326 1HD2 LEU 45 3HD2 LEU 45 3.894 -8.728 -8.597 327 2HD2 LEU 45 2HD2 LEU 45 5.063 -9.657 -9.532 328 3HD2 LEU 45 1HD2 LEU 45 5.610 -8.633 -8.204 329 H MET 46 H MET 46 5.954 -6.754 -13.432 330 HA MET 46 HA MET 46 6.919 -4.265 -12.370 331 1HB MET 46 2HB MET 46 8.413 -6.105 -13.200 332 2HB MET 46 1HB MET 46 7.885 -5.724 -14.839 333 1HG MET 46 2HG MET 46 8.963 -3.664 -14.853 334 2HG MET 46 1HG MET 46 8.917 -3.511 -13.097 335 1HE MET 46 1HE MET 46 10.076 -6.024 -15.819 336 2HE MET 46 3HE MET 46 10.880 -4.488 -16.174 337 3HE MET 46 2HE MET 46 11.828 -5.896 -15.700 338 H GLU 47 H GLU 47 5.137 -5.274 -15.213 339 HA GLU 47 HA GLU 47 5.467 -2.851 -16.690 340 1HB GLU 47 2HB GLU 47 4.630 -5.231 -17.458 341 2HB GLU 47 1HB GLU 47 3.049 -4.577 -17.032 342 1HG GLU 47 2HG GLU 47 4.957 -3.019 -18.770 343 2HG GLU 47 1HG GLU 47 3.874 -4.227 -19.461 344 H THR 48 H THR 48 2.666 -4.159 -14.904 345 HA THR 48 HA THR 48 1.048 -1.874 -15.091 346 HB THR 48 HB THR 48 1.091 -3.861 -12.809 347 HG1 THR 48 HG1 THR 48 -0.378 -3.941 -15.228 348 1HG2 THR 48 2HG2 THR 48 -0.283 -1.676 -12.688 349 2HG2 THR 48 1HG2 THR 48 -1.277 -2.390 -13.957 350 3HG2 THR 48 3HG2 THR 48 -1.134 -3.192 -12.392 351 H ALA 49 H ALA 49 3.378 -2.847 -12.602 352 HA ALA 49 HA ALA 49 2.900 -0.635 -10.875 353 1HB ALA 49 2HB ALA 49 5.250 -2.516 -11.145 354 2HB ALA 49 1HB ALA 49 5.138 -1.275 -9.896 355 3HB ALA 49 3HB ALA 49 3.953 -2.580 -9.951 356 H ALA 50 H ALA 50 4.857 -1.068 -13.729 357 HA ALA 50 HA ALA 50 6.616 1.143 -13.282 358 1HB ALA 50 2HB ALA 50 5.865 -0.442 -15.735 359 2HB ALA 50 1HB ALA 50 6.965 0.934 -15.809 360 3HB ALA 50 3HB ALA 50 7.381 -0.474 -14.833 361 H ARG 51 H ARG 51 3.470 0.746 -14.797 362 HA ARG 51 HA ARG 51 3.425 3.352 -16.006 363 1HB ARG 51 2HB ARG 51 2.009 1.239 -16.598 364 2HB ARG 51 1HB ARG 51 0.940 1.815 -15.319 365 1HG ARG 51 2HG ARG 51 0.610 3.922 -16.433 366 2HG ARG 51 1HG ARG 51 1.874 3.562 -17.609 367 1HD ARG 51 2HD ARG 51 -0.609 1.864 -17.299 368 2HD ARG 51 1HD ARG 51 -0.512 3.214 -18.424 369 HE ARG 51 HE ARG 51 1.503 1.072 -18.608 370 1HH1 ARG 51 2HH1 ARG 51 1.362 3.040 -20.795 371 2HH1 ARG 51 1HH1 ARG 51 0.361 2.263 -21.976 372 1HH2 ARG 51 1HH2 ARG 51 -0.923 -0.061 -19.747 373 2HH2 ARG 51 2HH2 ARG 51 -0.932 0.507 -21.383 374 H LEU 52 H LEU 52 1.865 1.928 -13.140 375 HA LEU 52 HA LEU 52 0.607 4.306 -12.265 376 1HB LEU 52 2HB LEU 52 1.321 1.705 -10.953 377 2HB LEU 52 1HB LEU 52 0.742 3.050 -9.969 378 HG LEU 52 HG LEU 52 -0.721 2.094 -12.438 379 1HD1 LEU 52 2HD1 LEU 52 -0.834 1.140 -9.587 380 2HD1 LEU 52 1HD1 LEU 52 -2.288 1.112 -10.585 381 3HD1 LEU 52 3HD1 LEU 52 -0.866 0.193 -11.075 382 1HD2 LEU 52 3HD2 LEU 52 -0.978 4.419 -11.063 383 2HD2 LEU 52 2HD2 LEU 52 -2.334 3.615 -11.854 384 3HD2 LEU 52 1HD2 LEU 52 -2.065 3.392 -10.126 385 H GLU 53 H GLU 53 3.864 3.105 -11.928 386 HA GLU 53 HA GLU 53 4.517 5.042 -9.839 387 1HB GLU 53 2HB GLU 53 5.440 2.632 -10.004 388 2HB GLU 53 1HB GLU 53 6.507 3.286 -11.247 389 1HG GLU 53 2HG GLU 53 7.821 3.668 -9.386 390 2HG GLU 53 1HG GLU 53 6.900 5.172 -9.403 391 H SER 54 H SER 54 3.802 5.801 -12.727 392 HA SER 54 HA SER 54 6.317 7.103 -13.515 393 1HB SER 54 2HB SER 54 3.694 6.774 -14.987 394 2HB SER 54 1HB SER 54 5.081 7.660 -15.612 395 HG SER 54 HG SER 54 6.286 5.684 -15.326 396 H ARG 55 H ARG 55 2.862 7.876 -13.101 397 HA ARG 55 HA ARG 55 3.173 10.687 -13.242 398 1HB ARG 55 2HB ARG 55 0.993 9.483 -13.488 399 2HB ARG 55 1HB ARG 55 1.026 9.149 -11.758 400 1HG ARG 55 2HG ARG 55 -0.231 11.105 -11.797 401 2HG ARG 55 1HG ARG 55 1.390 11.761 -11.572 402 1HD ARG 55 2HD ARG 55 0.804 13.044 -13.371 403 2HD ARG 55 1HD ARG 55 1.338 11.627 -14.267 404 HE ARG 55 HE ARG 55 -1.372 11.255 -13.669 405 1HH1 ARG 55 1HH2 ARG 55 -1.749 14.115 -14.213 406 2HH1 ARG 55 2HH2 ARG 55 -1.896 14.190 -15.938 407 1HH2 ARG 55 2HH1 ARG 55 -0.527 11.047 -16.457 408 2HH2 ARG 55 1HH1 ARG 55 -1.204 12.454 -17.208 409 H TYR 56 H TYR 56 3.325 8.374 -10.596 410 HA TYR 56 HA TYR 56 3.687 10.503 -8.623 411 1HB TYR 56 2HB TYR 56 3.841 7.523 -8.139 412 2HB TYR 56 1HB TYR 56 3.560 8.796 -6.953 413 HD1 TYR 56 HD1 TYR 56 1.540 10.497 -8.108 414 HD2 TYR 56 HD2 TYR 56 1.909 6.220 -8.350 415 HE1 TYR 56 HE1 TYR 56 -0.902 10.305 -8.494 416 HE2 TYR 56 HE2 TYR 56 -0.532 6.034 -8.739 417 HH TYR 56 HH TYR 56 -2.368 7.545 -9.659 418 H GLY 57 H GLY 57 5.441 7.558 -9.617 419 1HA GLY 57 2HA GLY 57 7.685 7.035 -9.602 420 2HA GLY 57 1HA GLY 57 7.940 8.731 -10.000 421 H VAL 58 H VAL 58 7.473 6.480 -7.301 422 HA VAL 58 HA VAL 58 8.065 8.279 -5.213 423 HB VAL 58 HB VAL 58 7.009 6.062 -4.895 424 1HG1 VAL 58 3HG1 VAL 58 9.029 5.106 -6.485 425 2HG1 VAL 58 2HG1 VAL 58 9.566 4.603 -4.883 426 3HG1 VAL 58 1HG1 VAL 58 7.983 4.104 -5.481 427 1HG2 VAL 58 2HG2 VAL 58 8.393 7.343 -3.110 428 2HG2 VAL 58 1HG2 VAL 58 7.954 5.665 -2.790 429 3HG2 VAL 58 3HG2 VAL 58 9.580 6.060 -3.343 430 H SER 59 H SER 59 10.062 8.171 -3.844 431 HA SER 59 HA SER 59 12.322 8.921 -5.307 432 1HB SER 59 2HB SER 59 11.791 8.258 -2.456 433 2HB SER 59 1HB SER 59 13.473 8.284 -2.981 434 HG SER 59 HG SER 59 12.331 10.337 -2.248 435 H ILE 60 H ILE 60 11.456 5.772 -3.920 436 HA ILE 60 HA ILE 60 13.554 4.563 -5.587 437 HB ILE 60 HB ILE 60 13.187 3.818 -2.677 438 1HG1 ILE 60 2HG1 ILE 60 15.444 5.374 -3.981 439 2HG1 ILE 60 1HG1 ILE 60 14.178 6.102 -2.993 440 1HG2 ILE 60 3HG2 ILE 60 15.186 3.021 -4.814 441 2HG2 ILE 60 2HG2 ILE 60 15.335 2.597 -3.109 442 3HG2 ILE 60 1HG2 ILE 60 13.982 1.979 -4.057 443 1HD1 ILE 60 3HD1 ILE 60 14.876 4.378 -1.189 444 2HD1 ILE 60 2HD1 ILE 60 16.343 4.181 -2.149 445 3HD1 ILE 60 1HD1 ILE 60 15.941 5.756 -1.464 446 HA PRO 61 HA PRO 61 9.659 2.109 -5.739 447 1HB PRO 61 2HB PRO 61 9.393 2.097 -8.454 448 2HB PRO 61 1HB PRO 61 8.741 3.369 -7.416 449 1HG PRO 61 2HG PRO 61 11.062 3.447 -9.236 450 2HG PRO 61 1HG PRO 61 10.068 4.775 -8.623 451 1HD PRO 61 2HD PRO 61 12.659 4.000 -7.700 452 2HD PRO 61 1HD PRO 61 11.586 5.226 -6.983 453 H ASP 62 H ASP 62 12.541 1.899 -7.685 454 HA ASP 62 HA ASP 62 12.279 -0.708 -8.691 455 1HB ASP 62 2HB ASP 62 14.599 1.107 -8.173 456 2HB ASP 62 1HB ASP 62 14.906 -0.581 -8.583 457 H ASP 63 H ASP 63 13.088 0.409 -5.498 458 HA ASP 63 HA ASP 63 14.525 -1.834 -4.578 459 1HB ASP 63 2HB ASP 63 13.027 0.394 -3.294 460 2HB ASP 63 1HB ASP 63 13.369 -1.027 -2.306 461 H VAL 64 H VAL 64 11.280 -1.128 -3.302 462 HA VAL 64 HA VAL 64 10.759 -3.843 -2.739 463 HB VAL 64 HB VAL 64 9.643 -1.985 -1.555 464 1HG1 VAL 64 2HG1 VAL 64 9.285 -0.579 -3.619 465 2HG1 VAL 64 1HG1 VAL 64 7.967 -1.668 -4.053 466 3HG1 VAL 64 3HG1 VAL 64 7.871 -0.716 -2.573 467 1HG2 VAL 64 1HG2 VAL 64 7.836 -3.946 -2.994 468 2HG2 VAL 64 3HG2 VAL 64 8.612 -4.171 -1.426 469 3HG2 VAL 64 2HG2 VAL 64 7.329 -2.974 -1.613 470 H ALA 65 H ALA 65 9.584 -1.753 -5.385 471 HA ALA 65 HA ALA 65 7.939 -3.631 -6.654 472 1HB ALA 65 2HB ALA 65 8.433 -1.071 -7.165 473 2HB ALA 65 1HB ALA 65 9.549 -1.766 -8.340 474 3HB ALA 65 3HB ALA 65 7.830 -2.155 -8.419 475 H GLY 66 H GLY 66 11.415 -3.240 -6.679 476 1HA GLY 66 2HA GLY 66 11.974 -4.891 -8.932 477 2HA GLY 66 1HA GLY 66 13.106 -4.482 -7.643 478 H ARG 67 H ARG 67 11.633 -5.478 -5.462 479 HA ARG 67 HA ARG 67 11.333 -8.354 -6.033 480 1HB ARG 67 2HB ARG 67 13.349 -7.076 -4.249 481 2HB ARG 67 1HB ARG 67 12.578 -8.555 -3.676 482 1HG ARG 67 2HG ARG 67 13.526 -9.854 -5.322 483 2HG ARG 67 1HG ARG 67 13.545 -8.536 -6.496 484 1HD ARG 67 2HD ARG 67 15.594 -7.799 -5.830 485 2HD ARG 67 1HD ARG 67 15.270 -8.121 -4.130 486 HE ARG 67 HE ARG 67 15.541 -10.609 -5.328 487 1HH1 ARG 67 1HH2 ARG 67 17.355 -8.623 -3.464 488 2HH1 ARG 67 2HH2 ARG 67 18.904 -9.051 -4.110 489 1HH2 ARG 67 2HH1 ARG 67 17.595 -10.787 -6.811 490 2HH2 ARG 67 1HH1 ARG 67 19.040 -10.275 -6.004 491 H VAL 68 H VAL 68 9.063 -7.296 -5.796 492 HA VAL 68 HA VAL 68 8.314 -7.010 -2.969 493 HB VAL 68 HB VAL 68 7.490 -5.289 -4.567 494 1HG1 VAL 68 2HG1 VAL 68 7.200 -7.028 -6.456 495 2HG1 VAL 68 1HG1 VAL 68 5.656 -7.402 -5.689 496 3HG1 VAL 68 3HG1 VAL 68 5.966 -5.777 -6.301 497 1HG2 VAL 68 3HG2 VAL 68 5.787 -6.982 -2.845 498 2HG2 VAL 68 2HG2 VAL 68 6.035 -5.237 -2.820 499 3HG2 VAL 68 1HG2 VAL 68 4.912 -5.950 -3.976 500 H ASP 69 H ASP 69 7.792 -8.796 -1.933 501 HA ASP 69 HA ASP 69 6.673 -11.076 -3.404 502 1HB ASP 69 2HB ASP 69 8.581 -11.385 -1.779 503 2HB ASP 69 1HB ASP 69 7.458 -10.958 -0.487 504 H THR 70 H THR 70 5.858 -8.686 -0.981 505 HA THR 70 HA THR 70 3.202 -9.913 -0.615 506 HB THR 70 HB THR 70 3.137 -7.907 1.137 507 HG1 THR 70 HG1 THR 70 5.104 -7.310 1.800 508 1HG2 THR 70 3HG2 THR 70 4.419 -10.620 1.329 509 2HG2 THR 70 2HG2 THR 70 4.373 -9.563 2.740 510 3HG2 THR 70 1HG2 THR 70 2.870 -10.077 1.973 511 HA PRO 71 HA PRO 71 1.506 -6.692 -3.153 512 1HB PRO 71 2HB PRO 71 -1.111 -6.861 -2.408 513 2HB PRO 71 1HB PRO 71 -0.313 -8.055 -3.438 514 1HG PRO 71 2HG PRO 71 -1.096 -8.258 -0.588 515 2HG PRO 71 1HG PRO 71 -0.932 -9.533 -1.806 516 1HD PRO 71 2HD PRO 71 0.936 -8.913 0.224 517 2HD PRO 71 1HD PRO 71 1.226 -9.960 -1.185 518 H ARG 72 H ARG 72 0.413 -6.712 0.229 519 HA ARG 72 HA ARG 72 -0.520 -4.070 0.382 520 1HB ARG 72 2HB ARG 72 -0.603 -6.084 2.102 521 2HB ARG 72 1HB ARG 72 0.832 -5.287 2.750 522 1HG ARG 72 2HG ARG 72 -0.339 -3.447 3.455 523 2HG ARG 72 1HG ARG 72 -1.479 -3.527 2.112 524 1HD ARG 72 2HD ARG 72 -2.482 -5.572 3.192 525 2HD ARG 72 1HD ARG 72 -1.451 -5.271 4.588 526 HE ARG 72 HE ARG 72 -2.667 -2.949 4.507 527 1HH1 ARG 72 1HH2 ARG 72 -4.845 -3.264 2.775 528 2HH1 ARG 72 2HH2 ARG 72 -6.078 -4.079 3.679 529 1HH2 ARG 72 2HH1 ARG 72 -3.902 -5.223 6.124 530 2HH2 ARG 72 1HH1 ARG 72 -5.544 -5.188 5.573 531 H GLU 73 H GLU 73 2.717 -5.281 0.195 532 HA GLU 73 HA GLU 73 3.997 -3.057 1.481 533 1HB GLU 73 2HB GLU 73 4.977 -5.400 1.088 534 2HB GLU 73 1HB GLU 73 5.287 -4.857 -0.562 535 1HG GLU 73 2HG GLU 73 7.282 -4.267 0.493 536 2HG GLU 73 1HG GLU 73 6.358 -2.770 0.636 537 H LEU 74 H LEU 74 3.268 -3.948 -1.873 538 HA LEU 74 HA LEU 74 4.640 -1.868 -3.170 539 1HB LEU 74 2HB LEU 74 2.787 -3.920 -3.895 540 2HB LEU 74 1HB LEU 74 2.196 -2.407 -4.577 541 HG LEU 74 HG LEU 74 5.111 -3.039 -4.840 542 1HD1 LEU 74 2HD1 LEU 74 3.907 -5.126 -5.486 543 2HD1 LEU 74 1HD1 LEU 74 2.949 -4.190 -6.632 544 3HD1 LEU 74 3HD1 LEU 74 4.690 -4.350 -6.862 545 1HD2 LEU 74 2HD2 LEU 74 3.013 -1.395 -6.179 546 2HD2 LEU 74 1HD2 LEU 74 4.696 -1.000 -5.830 547 3HD2 LEU 74 3HD2 LEU 74 4.301 -2.035 -7.202 548 H LEU 75 H LEU 75 1.201 -2.040 -2.235 549 HA LEU 75 HA LEU 75 0.467 0.566 -2.955 550 1HB LEU 75 2HB LEU 75 -1.171 -1.165 -2.366 551 2HB LEU 75 1HB LEU 75 -0.593 -1.169 -0.704 552 HG LEU 75 HG LEU 75 -1.171 1.460 -0.935 553 1HD1 LEU 75 1HD1 LEU 75 -3.060 0.030 -2.816 554 2HD1 LEU 75 3HD1 LEU 75 -3.309 1.655 -2.190 555 3HD1 LEU 75 2HD1 LEU 75 -1.935 1.320 -3.239 556 1HD2 LEU 75 3HD2 LEU 75 -2.044 -0.324 0.680 557 2HD2 LEU 75 2HD2 LEU 75 -3.154 0.994 0.304 558 3HD2 LEU 75 1HD2 LEU 75 -3.356 -0.578 -0.471 559 H ASP 76 H ASP 76 1.602 -0.664 0.190 560 HA ASP 76 HA ASP 76 1.428 1.748 1.601 561 1HB ASP 76 2HB ASP 76 1.928 -0.671 2.438 562 2HB ASP 76 1HB ASP 76 3.614 -0.219 2.181 563 H LEU 77 H LEU 77 3.783 0.733 -0.743 564 HA LEU 77 HA LEU 77 5.820 2.579 0.140 565 1HB LEU 77 2HB LEU 77 5.982 0.367 -1.357 566 2HB LEU 77 1HB LEU 77 5.834 1.552 -2.653 567 HG LEU 77 HG LEU 77 8.190 1.196 -2.140 568 1HD1 LEU 77 3HD1 LEU 77 7.291 3.537 -2.652 569 2HD1 LEU 77 2HD1 LEU 77 7.438 3.857 -0.924 570 3HD1 LEU 77 1HD1 LEU 77 8.872 3.461 -1.872 571 1HD2 LEU 77 2HD2 LEU 77 7.485 0.629 0.358 572 2HD2 LEU 77 1HD2 LEU 77 9.097 1.243 -0.008 573 3HD2 LEU 77 3HD2 LEU 77 7.855 2.335 0.607 574 H ILE 78 H ILE 78 4.063 2.391 -2.950 575 HA ILE 78 HA ILE 78 4.681 4.912 -3.916 576 HB ILE 78 HB ILE 78 2.081 3.409 -4.320 577 1HG1 ILE 78 2HG1 ILE 78 4.244 3.348 -6.351 578 2HG1 ILE 78 1HG1 ILE 78 4.594 2.481 -4.857 579 1HG2 ILE 78 3HG2 ILE 78 3.427 5.673 -5.805 580 2HG2 ILE 78 2HG2 ILE 78 2.226 4.633 -6.570 581 3HG2 ILE 78 1HG2 ILE 78 1.783 5.612 -5.173 582 1HD1 ILE 78 1HD1 ILE 78 1.919 2.087 -6.141 583 2HD1 ILE 78 3HD1 ILE 78 3.319 1.277 -6.843 584 3HD1 ILE 78 2HD1 ILE 78 2.868 0.964 -5.168 585 H ASN 79 H ASN 79 2.067 4.013 -1.715 586 HA ASN 79 HA ASN 79 0.674 6.461 -1.729 587 1HB ASN 79 2HB ASN 79 0.283 4.046 -0.515 588 2HB ASN 79 1HB ASN 79 0.757 5.038 0.860 589 1HD2 ASN 79 2HD2 ASN 79 -2.950 5.342 0.300 590 2HD2 ASN 79 1HD2 ASN 79 -1.908 4.028 0.562 591 H GLY 80 H GLY 80 3.333 5.284 0.302 592 1HA GLY 80 2HA GLY 80 3.478 7.477 2.063 593 2HA GLY 80 1HA GLY 80 4.809 6.386 1.685 594 H ALA 81 H ALA 81 4.832 6.940 -1.143 595 HA ALA 81 HA ALA 81 6.619 9.127 -1.201 596 1HB ALA 81 3HB ALA 81 6.201 7.119 -2.896 597 2HB ALA 81 2HB ALA 81 5.192 8.326 -3.695 598 3HB ALA 81 1HB ALA 81 6.907 8.643 -3.432 599 H LEU 82 H LEU 82 3.222 8.821 -2.183 600 HA LEU 82 HA LEU 82 2.935 11.468 -3.159 601 1HB LEU 82 2HB LEU 82 1.001 9.367 -2.226 602 2HB LEU 82 1HB LEU 82 0.437 10.993 -2.610 603 HG LEU 82 HG LEU 82 2.234 9.587 -4.556 604 1HD1 LEU 82 1HD1 LEU 82 0.365 8.008 -3.874 605 2HD1 LEU 82 3HD1 LEU 82 -0.770 9.207 -4.495 606 3HD1 LEU 82 2HD1 LEU 82 0.388 8.443 -5.583 607 1HD2 LEU 82 1HD2 LEU 82 1.391 12.027 -4.687 608 2HD2 LEU 82 3HD2 LEU 82 1.188 11.028 -6.126 609 3HD2 LEU 82 2HD2 LEU 82 -0.184 11.328 -5.059 610 H ALA 83 H ALA 83 2.722 10.059 0.041 611 HA ALA 83 HA ALA 83 1.380 12.161 1.362 612 1HB ALA 83 2HB ALA 83 3.352 10.089 2.320 613 2HB ALA 83 1HB ALA 83 2.640 11.281 3.407 614 3HB ALA 83 3HB ALA 83 1.605 10.128 2.563 615 H GLU 84 H GLU 84 4.816 11.571 0.739 616 HA GLU 84 HA GLU 84 5.472 14.215 1.857 617 1HB GLU 84 2HB GLU 84 7.047 11.732 1.290 618 2HB GLU 84 1HB GLU 84 7.879 13.289 1.305 619 1HG GLU 84 2HG GLU 84 7.121 13.740 3.562 620 2HG GLU 84 1HG GLU 84 6.101 12.301 3.551 621 H ALA 85 H ALA 85 4.067 13.910 -0.675 622 HA ALA 85 HA ALA 85 6.122 14.915 -2.552 623 1HB ALA 85 1HB ALA 85 4.915 12.860 -3.289 624 2HB ALA 85 3HB ALA 85 3.403 13.765 -3.218 625 3HB ALA 85 2HB ALA 85 4.659 14.234 -4.364 626 H ALA 86 HN ALA 86 2.753 15.340 -1.499 627 HA ALA 86 HA ALA 86 2.978 18.199 -1.532 628 1HB ALA 86 3HB ALA 86 2.662 17.507 -4.006 629 2HB ALA 86 2HB ALA 86 1.010 17.109 -3.531 630 3HB ALA 86 1HB ALA 86 1.605 18.760 -3.356 No H/Q in entry = 630 Start of MODEL 10 1 1H MET 1 2H MET 1 -5.929 16.639 2.286 2 2H MET 1 1H MET 1 -6.353 17.624 3.604 3 3H MET 1 3H MET 1 -4.719 17.391 3.212 4 HA MET 1 HA MET 1 -4.854 15.068 3.795 5 1HB MET 1 2HB MET 1 -4.395 16.852 5.538 6 2HB MET 1 1HB MET 1 -6.099 16.754 5.982 7 1HG MET 1 2HG MET 1 -5.152 15.232 7.473 8 2HG MET 1 1HG MET 1 -5.613 14.172 6.140 9 1HE MET 1 2HE MET 1 -4.318 12.823 7.557 10 2HE MET 1 1HE MET 1 -2.970 12.154 6.639 11 3HE MET 1 3HE MET 1 -2.665 13.113 8.094 12 H ALA 2 H ALA 2 -6.488 14.061 2.481 13 HA ALA 2 HA ALA 2 -8.973 13.559 3.994 14 1HB ALA 2 2HB ALA 2 -8.724 14.281 1.076 15 2HB ALA 2 1HB ALA 2 -10.115 13.392 1.699 16 3HB ALA 2 3HB ALA 2 -9.762 15.011 2.301 17 H THR 3 H THR 3 -7.692 12.465 0.859 18 HA THR 3 HA THR 3 -7.013 9.851 1.888 19 HB THR 3 HB THR 3 -9.149 9.842 -0.218 20 HG1 THR 3 HG1 THR 3 -10.266 10.819 1.337 21 1HG2 THR 3 3HG2 THR 3 -8.210 7.901 1.909 22 2HG2 THR 3 2HG2 THR 3 -9.553 7.599 0.806 23 3HG2 THR 3 1HG2 THR 3 -7.917 7.782 0.174 24 H LEU 4 H LEU 4 -5.230 9.335 0.826 25 HA LEU 4 HA LEU 4 -4.745 10.477 -1.831 26 1HB LEU 4 2HB LEU 4 -2.985 9.136 0.216 27 2HB LEU 4 1HB LEU 4 -2.440 9.389 -1.443 28 HG LEU 4 HG LEU 4 -3.157 11.844 -1.113 29 1HD1 LEU 4 3HD1 LEU 4 -3.211 10.793 1.722 30 2HD1 LEU 4 2HD1 LEU 4 -2.956 12.500 1.358 31 3HD1 LEU 4 1HD1 LEU 4 -4.459 11.712 0.878 32 1HD2 LEU 4 3HD2 LEU 4 -0.812 10.461 0.153 33 2HD2 LEU 4 2HD2 LEU 4 -0.849 11.540 -1.241 34 3HD2 LEU 4 1HD2 LEU 4 -1.010 12.198 0.387 35 H LEU 5 H LEU 5 -3.879 7.324 -0.420 36 HA LEU 5 HA LEU 5 -5.124 6.008 -2.752 37 1HB LEU 5 2HB LEU 5 -2.366 6.250 -2.397 38 2HB LEU 5 1HB LEU 5 -2.726 4.626 -1.813 39 HG LEU 5 HG LEU 5 -4.031 4.247 -3.948 40 1HD1 LEU 5 1HD1 LEU 5 -4.332 6.687 -4.445 41 2HD1 LEU 5 3HD1 LEU 5 -2.609 6.781 -4.816 42 3HD1 LEU 5 2HD1 LEU 5 -3.670 5.777 -5.804 43 1HD2 LEU 5 2HD2 LEU 5 -1.406 3.869 -3.431 44 2HD2 LEU 5 1HD2 LEU 5 -2.141 3.439 -4.975 45 3HD2 LEU 5 3HD2 LEU 5 -1.271 4.965 -4.808 46 H THR 6 H THR 6 -5.928 3.930 -2.378 47 HA THR 6 HA THR 6 -5.923 3.036 0.441 48 HB THR 6 HB THR 6 -8.061 4.099 0.096 49 HG1 THR 6 HG1 THR 6 -9.076 2.465 0.918 50 1HG2 THR 6 3HG2 THR 6 -7.808 2.850 -2.557 51 2HG2 THR 6 2HG2 THR 6 -9.419 2.724 -1.853 52 3HG2 THR 6 1HG2 THR 6 -8.676 4.307 -2.075 53 H THR 7 H THR 7 -6.759 0.738 0.622 54 HA THR 7 HA THR 7 -5.152 -1.004 -0.888 55 HB THR 7 HB THR 7 -7.688 -1.773 0.563 56 HG1 THR 7 HG1 THR 7 -6.692 -1.015 2.236 57 1HG2 THR 7 2HG2 THR 7 -6.174 -3.342 -0.955 58 2HG2 THR 7 1HG2 THR 7 -5.173 -3.376 0.496 59 3HG2 THR 7 3HG2 THR 7 -6.849 -3.920 0.568 60 H ASP 8 H ASP 8 -8.598 -0.213 -1.148 61 HA ASP 8 HA ASP 8 -9.315 -1.988 -3.187 62 1HB ASP 8 2HB ASP 8 -10.323 0.847 -2.836 63 2HB ASP 8 1HB ASP 8 -11.143 -0.461 -3.690 64 H ASP 9 H ASP 9 -7.538 1.015 -3.281 65 HA ASP 9 HA ASP 9 -7.674 1.443 -6.099 66 1HB ASP 9 2HB ASP 9 -7.044 3.188 -4.373 67 2HB ASP 9 1HB ASP 9 -5.483 2.379 -4.237 68 H LEU 10 H LEU 10 -5.372 -0.180 -3.930 69 HA LEU 10 HA LEU 10 -3.375 -0.717 -5.829 70 1HB LEU 10 2HB LEU 10 -2.360 -1.976 -4.202 71 2HB LEU 10 1HB LEU 10 -3.518 -1.139 -3.180 72 HG LEU 10 HG LEU 10 -5.060 -3.220 -3.751 73 1HD1 LEU 10 1HD1 LEU 10 -2.946 -3.939 -5.274 74 2HD1 LEU 10 3HD1 LEU 10 -2.496 -4.727 -3.761 75 3HD1 LEU 10 2HD1 LEU 10 -4.034 -5.114 -4.534 76 1HD2 LEU 10 2HD2 LEU 10 -2.701 -3.346 -1.847 77 2HD2 LEU 10 1HD2 LEU 10 -4.292 -2.677 -1.492 78 3HD2 LEU 10 3HD2 LEU 10 -4.110 -4.407 -1.777 79 H ARG 11 H ARG 11 -6.371 -2.374 -5.085 80 HA ARG 11 HA ARG 11 -5.917 -4.694 -6.672 81 1HB ARG 11 2HB ARG 11 -7.827 -3.996 -4.883 82 2HB ARG 11 1HB ARG 11 -8.704 -3.721 -6.387 83 1HG ARG 11 2HG ARG 11 -7.845 -6.048 -7.100 84 2HG ARG 11 1HG ARG 11 -7.449 -6.282 -5.398 85 1HD ARG 11 2HD ARG 11 -9.722 -7.141 -6.018 86 2HD ARG 11 1HD ARG 11 -9.749 -5.923 -4.746 87 HE ARG 11 HE ARG 11 -10.626 -4.354 -6.337 88 1HH1 ARG 11 1HH2 ARG 11 -9.889 -4.701 -8.957 89 2HH1 ARG 11 2HH2 ARG 11 -11.058 -5.741 -9.700 90 1HH2 ARG 11 2HH1 ARG 11 -12.288 -6.947 -6.690 91 2HH2 ARG 11 1HH1 ARG 11 -12.417 -7.012 -8.416 92 H ARG 12 H ARG 12 -7.690 -1.678 -7.285 93 HA ARG 12 HA ARG 12 -8.560 -2.227 -9.886 94 1HB ARG 12 2HB ARG 12 -8.092 0.242 -8.295 95 2HB ARG 12 1HB ARG 12 -8.237 0.432 -10.042 96 1HG ARG 12 2HG ARG 12 -10.254 -1.371 -8.864 97 2HG ARG 12 1HG ARG 12 -10.365 0.296 -8.300 98 1HD ARG 12 2HD ARG 12 -10.103 -0.365 -11.232 99 2HD ARG 12 1HD ARG 12 -11.672 -0.311 -10.435 100 HE ARG 12 HE ARG 12 -10.199 2.070 -9.896 101 1HH1 ARG 12 2HH1 ARG 12 -13.101 1.325 -11.051 102 2HH1 ARG 12 1HH1 ARG 12 -13.099 2.350 -12.448 103 1HH2 ARG 12 1HH2 ARG 12 -9.698 3.012 -12.283 104 2HH2 ARG 12 2HH2 ARG 12 -11.171 3.305 -13.145 105 H ALA 13 H ALA 13 -5.410 -1.279 -8.714 106 HA ALA 13 HA ALA 13 -4.412 -0.533 -11.331 107 1HB ALA 13 2HB ALA 13 -2.981 -1.013 -8.706 108 2HB ALA 13 1HB ALA 13 -2.214 -0.408 -10.175 109 3HB ALA 13 3HB ALA 13 -3.459 0.549 -9.372 110 H LEU 14 H LEU 14 -4.440 -3.365 -9.272 111 HA LEU 14 HA LEU 14 -2.458 -4.833 -10.727 112 1HB LEU 14 2HB LEU 14 -4.424 -5.432 -8.573 113 2HB LEU 14 1HB LEU 14 -3.816 -6.793 -9.517 114 HG LEU 14 HG LEU 14 -1.782 -4.825 -8.614 115 1HD1 LEU 14 1HD1 LEU 14 -3.575 -5.403 -6.712 116 2HD1 LEU 14 3HD1 LEU 14 -2.606 -6.873 -6.604 117 3HD1 LEU 14 2HD1 LEU 14 -1.850 -5.299 -6.357 118 1HD2 LEU 14 2HD2 LEU 14 -2.030 -7.831 -8.853 119 2HD2 LEU 14 1HD2 LEU 14 -1.011 -6.748 -9.801 120 3HD2 LEU 14 3HD2 LEU 14 -0.630 -7.059 -8.107 121 H VAL 15 H VAL 15 -5.884 -4.307 -11.103 122 HA VAL 15 HA VAL 15 -6.170 -6.520 -12.988 123 HB VAL 15 HB VAL 15 -8.203 -4.407 -12.237 124 1HG1 VAL 15 2HG1 VAL 15 -8.209 -6.933 -13.837 125 2HG1 VAL 15 1HG1 VAL 15 -9.641 -6.560 -12.877 126 3HG1 VAL 15 3HG1 VAL 15 -9.088 -5.429 -14.112 127 1HG2 VAL 15 2HG2 VAL 15 -7.271 -6.886 -10.868 128 2HG2 VAL 15 1HG2 VAL 15 -7.958 -5.414 -10.180 129 3HG2 VAL 15 3HG2 VAL 15 -9.014 -6.617 -10.923 130 H GLU 16 H GLU 16 -5.966 -3.008 -12.952 131 HA GLU 16 HA GLU 16 -6.734 -2.504 -15.615 132 1HB GLU 16 2HB GLU 16 -5.083 -1.035 -13.597 133 2HB GLU 16 1HB GLU 16 -5.073 -0.484 -15.273 134 1HG GLU 16 2HG GLU 16 -7.415 -0.098 -15.275 135 2HG GLU 16 1HG GLU 16 -7.650 -1.030 -13.796 136 H CYS 17 H CYS 17 -3.720 -3.604 -14.213 137 HA CYS 17 HA CYS 17 -2.169 -3.187 -16.612 138 1HB CYS 17 2HB CYS 17 -1.676 -4.483 -13.957 139 2HB CYS 17 1HB CYS 17 -0.592 -4.835 -15.303 140 HG CYS 17 HG CYS 17 0.353 -2.540 -15.156 141 H ALA 18 H ALA 18 -3.717 -5.939 -15.004 142 HA ALA 18 HA ALA 18 -3.810 -7.357 -17.558 143 1HB ALA 18 3HB ALA 18 -2.513 -8.560 -15.100 144 2HB ALA 18 2HB ALA 18 -2.872 -9.425 -16.594 145 3HB ALA 18 1HB ALA 18 -1.686 -8.119 -16.594 146 H GLY 19 H GLY 19 -6.047 -7.103 -17.429 147 1HA GLY 19 2HA GLY 19 -7.431 -8.323 -15.136 148 2HA GLY 19 1HA GLY 19 -8.169 -7.286 -16.352 149 H GLU 20 H GLU 20 -7.662 -10.463 -15.348 150 HA GLU 20 HA GLU 20 -8.779 -11.479 -17.890 151 1HB GLU 20 2HB GLU 20 -7.469 -13.565 -17.544 152 2HB GLU 20 1HB GLU 20 -6.453 -12.151 -17.819 153 1HG GLU 20 2HG GLU 20 -5.758 -12.044 -15.594 154 2HG GLU 20 1HG GLU 20 -7.171 -12.923 -15.009 155 H THR 21 H THR 21 -10.111 -10.665 -15.473 156 HA THR 21 HA THR 21 -11.887 -12.824 -15.123 157 HB THR 21 HB THR 21 -10.139 -13.899 -13.836 158 HG1 THR 21 HG1 THR 21 -11.242 -14.033 -11.864 159 1HG2 THR 21 3HG2 THR 21 -9.129 -11.488 -13.326 160 2HG2 THR 21 2HG2 THR 21 -10.070 -11.672 -11.845 161 3HG2 THR 21 1HG2 THR 21 -8.823 -12.851 -12.250 162 H ASP 22 H ASP 22 -13.713 -11.773 -14.815 163 HA ASP 22 HA ASP 22 -13.688 -9.225 -13.340 164 1HB ASP 22 2HB ASP 22 -14.758 -9.561 -15.700 165 2HB ASP 22 1HB ASP 22 -16.081 -10.303 -14.798 166 H GLY 23 H GLY 23 -13.494 -11.823 -12.006 167 1HA GLY 23 2HA GLY 23 -15.966 -11.659 -10.387 168 2HA GLY 23 1HA GLY 23 -15.256 -13.212 -10.823 169 H THR 24 H THR 24 -15.024 -10.423 -8.785 170 HA THR 24 HA THR 24 -13.080 -11.834 -7.102 171 HB THR 24 HB THR 24 -12.668 -8.915 -7.228 172 HG1 THR 24 HG1 THR 24 -12.755 -9.086 -9.371 173 1HG2 THR 24 1HG2 THR 24 -11.105 -11.427 -6.883 174 2HG2 THR 24 3HG2 THR 24 -10.247 -10.022 -7.516 175 3HG2 THR 24 2HG2 THR 24 -11.051 -9.931 -5.949 176 H ASP 25 H ASP 25 -13.878 -11.976 -5.162 177 HA ASP 25 HA ASP 25 -15.464 -9.756 -4.046 178 1HB ASP 25 2HB ASP 25 -16.982 -11.452 -2.992 179 2HB ASP 25 1HB ASP 25 -17.117 -11.373 -4.749 180 H LEU 26 H LEU 26 -13.668 -9.162 -2.805 181 HA LEU 26 HA LEU 26 -13.091 -10.995 -0.560 182 1HB LEU 26 2HB LEU 26 -11.085 -9.229 -1.988 183 2HB LEU 26 1HB LEU 26 -10.760 -10.203 -0.553 184 HG LEU 26 HG LEU 26 -11.963 -11.589 -2.905 185 1HD1 LEU 26 3HD1 LEU 26 -9.292 -10.278 -2.872 186 2HD1 LEU 26 2HD1 LEU 26 -9.352 -11.932 -3.478 187 3HD1 LEU 26 1HD1 LEU 26 -10.333 -10.679 -4.238 188 1HD2 LEU 26 2HD2 LEU 26 -10.245 -12.182 -0.542 189 2HD2 LEU 26 1HD2 LEU 26 -11.574 -13.116 -1.227 190 3HD2 LEU 26 3HD2 LEU 26 -9.982 -13.162 -1.984 191 H SER 27 H SER 27 -14.088 -10.059 1.103 192 HA SER 27 HA SER 27 -14.099 -7.135 1.353 193 1HB SER 27 2HB SER 27 -15.570 -7.830 3.427 194 2HB SER 27 1HB SER 27 -16.247 -7.865 1.801 195 HG SER 27 HG SER 27 -15.174 -10.022 3.304 196 H GLY 28 H GLY 28 -11.782 -7.101 1.815 197 1HA GLY 28 2HA GLY 28 -10.103 -6.681 3.347 198 2HA GLY 28 1HA GLY 28 -11.283 -6.944 4.627 199 H ASP 29 H ASP 29 -9.933 -9.020 2.058 200 HA ASP 29 HA ASP 29 -8.489 -10.670 3.907 201 1HB ASP 29 2HB ASP 29 -11.062 -11.286 4.058 202 2HB ASP 29 1HB ASP 29 -10.704 -12.173 2.575 203 H PHE 30 H PHE 30 -7.351 -9.507 1.902 204 HA PHE 30 HA PHE 30 -6.708 -11.678 0.078 205 1HB PHE 30 2HB PHE 30 -7.114 -10.466 -1.957 206 2HB PHE 30 1HB PHE 30 -8.597 -10.438 -1.013 207 HD1 PHE 30 HD1 PHE 30 -8.569 -8.318 0.790 208 HD2 PHE 30 HD2 PHE 30 -6.590 -8.469 -3.021 209 HE1 PHE 30 HE1 PHE 30 -8.584 -5.848 0.684 210 HE2 PHE 30 HE2 PHE 30 -6.607 -5.996 -3.123 211 HZ PHE 30 HZ PHE 30 -7.606 -4.686 -1.273 212 H LEU 31 H LEU 31 -5.381 -10.170 2.213 213 HA LEU 31 HA LEU 31 -3.076 -9.236 0.637 214 1HB LEU 31 2HB LEU 31 -4.150 -7.846 3.099 215 2HB LEU 31 1HB LEU 31 -2.722 -7.376 2.172 216 HG LEU 31 HG LEU 31 -5.472 -7.604 0.936 217 1HD1 LEU 31 3HD1 LEU 31 -4.882 -5.778 2.866 218 2HD1 LEU 31 2HD1 LEU 31 -4.329 -4.922 1.426 219 3HD1 LEU 31 1HD1 LEU 31 -6.001 -5.479 1.536 220 1HD2 LEU 31 3HD2 LEU 31 -2.891 -6.255 0.080 221 2HD2 LEU 31 2HD2 LEU 31 -3.573 -7.726 -0.615 222 3HD2 LEU 31 1HD2 LEU 31 -4.411 -6.187 -0.812 223 H ASP 32 H ASP 32 -2.523 -11.495 1.159 224 HA ASP 32 HA ASP 32 -0.891 -11.557 3.593 225 1HB ASP 32 2HB ASP 32 -3.107 -13.479 2.944 226 2HB ASP 32 1HB ASP 32 -1.673 -14.052 3.796 227 H LEU 33 H LEU 33 -1.937 -13.323 0.706 228 HA LEU 33 HA LEU 33 0.801 -13.571 -0.221 229 1HB LEU 33 2HB LEU 33 0.623 -16.050 -0.500 230 2HB LEU 33 1HB LEU 33 0.693 -15.549 1.189 231 HG LEU 33 HG LEU 33 -2.020 -15.724 -0.009 232 1HD1 LEU 33 1HD1 LEU 33 -0.366 -18.179 0.658 233 2HD1 LEU 33 3HD1 LEU 33 -2.097 -18.179 0.322 234 3HD1 LEU 33 2HD1 LEU 33 -0.954 -17.733 -0.945 235 1HD2 LEU 33 3HD2 LEU 33 -0.650 -16.074 2.611 236 2HD2 LEU 33 2HD2 LEU 33 -2.188 -15.294 2.242 237 3HD2 LEU 33 1HD2 LEU 33 -2.092 -17.053 2.342 238 H ARG 34 H ARG 34 -1.081 -12.066 -1.330 239 HA ARG 34 HA ARG 34 -2.687 -13.464 -3.267 240 1HB ARG 34 2HB ARG 34 -3.205 -11.187 -2.238 241 2HB ARG 34 1HB ARG 34 -1.982 -10.528 -3.324 242 1HG ARG 34 2HG ARG 34 -3.747 -10.327 -4.761 243 2HG ARG 34 1HG ARG 34 -3.419 -12.031 -5.076 244 1HD ARG 34 2HD ARG 34 -4.991 -12.204 -2.845 245 2HD ARG 34 1HD ARG 34 -5.668 -10.778 -3.626 246 HE ARG 34 HE ARG 34 -5.728 -12.368 -5.691 247 1HH1 ARG 34 2HH1 ARG 34 -5.154 -14.262 -3.057 248 2HH1 ARG 34 1HH1 ARG 34 -6.639 -15.152 -3.098 249 1HH2 ARG 34 1HH2 ARG 34 -8.120 -13.086 -5.456 250 2HH2 ARG 34 2HH2 ARG 34 -8.318 -14.486 -4.456 251 H PHE 35 H PHE 35 0.288 -11.510 -3.403 252 HA PHE 35 HA PHE 35 0.695 -11.532 -6.161 253 1HB PHE 35 2HB PHE 35 2.476 -11.269 -3.790 254 2HB PHE 35 1HB PHE 35 3.240 -11.604 -5.343 255 HD1 PHE 35 HD2 PHE 35 0.182 -9.586 -4.519 256 HD2 PHE 35 HD1 PHE 35 4.186 -9.583 -6.082 257 HE1 PHE 35 HE2 PHE 35 -0.063 -7.200 -5.147 258 HE2 PHE 35 HE1 PHE 35 3.937 -7.201 -6.704 259 HZ PHE 35 HZ PHE 35 1.819 -6.009 -6.239 260 H GLU 36 H GLU 36 1.027 -14.129 -3.877 261 HA GLU 36 HA GLU 36 2.492 -15.762 -5.836 262 1HB GLU 36 2HB GLU 36 2.077 -15.902 -2.885 263 2HB GLU 36 1HB GLU 36 2.327 -17.413 -3.762 264 1HG GLU 36 2HG GLU 36 4.146 -15.036 -4.160 265 2HG GLU 36 1HG GLU 36 4.430 -16.213 -2.877 266 H ASP 37 H ASP 37 -0.617 -15.415 -4.288 267 HA ASP 37 HA ASP 37 -1.653 -17.994 -4.864 268 1HB ASP 37 2HB ASP 37 -2.658 -16.347 -3.246 269 2HB ASP 37 1HB ASP 37 -3.239 -15.429 -4.637 270 H ILE 38 H ILE 38 -2.514 -14.898 -6.421 271 HA ILE 38 HA ILE 38 -3.790 -16.020 -8.646 272 HB ILE 38 HB ILE 38 -3.929 -13.636 -7.893 273 1HG1 ILE 38 2HG1 ILE 38 -4.700 -14.459 -10.156 274 2HG1 ILE 38 1HG1 ILE 38 -4.333 -12.743 -10.074 275 1HG2 ILE 38 2HG2 ILE 38 -1.180 -13.496 -9.135 276 2HG2 ILE 38 1HG2 ILE 38 -2.187 -12.073 -8.872 277 3HG2 ILE 38 3HG2 ILE 38 -1.659 -13.047 -7.502 278 1HD1 ILE 38 3HD1 ILE 38 -1.903 -13.891 -10.834 279 2HD1 ILE 38 2HD1 ILE 38 -3.105 -14.827 -11.716 280 3HD1 ILE 38 1HD1 ILE 38 -3.044 -13.075 -11.900 281 H GLY 39 H GLY 39 -0.408 -15.347 -8.027 282 1HA GLY 39 2HA GLY 39 1.264 -16.745 -9.102 283 2HA GLY 39 1HA GLY 39 0.267 -16.727 -10.554 284 H TYR 40 H TYR 40 0.807 -13.860 -8.622 285 HA TYR 40 HA TYR 40 1.963 -12.505 -10.917 286 1HB TYR 40 2HB TYR 40 0.696 -11.713 -8.391 287 2HB TYR 40 1HB TYR 40 2.122 -10.747 -8.763 288 HD1 TYR 40 HD2 TYR 40 -0.845 -12.191 -10.582 289 HD2 TYR 40 HD1 TYR 40 1.806 -8.852 -10.055 290 HE1 TYR 40 HE2 TYR 40 -2.136 -10.901 -12.258 291 HE2 TYR 40 HE1 TYR 40 0.514 -7.562 -11.733 292 HH TYR 40 HH TYR 40 -1.002 -8.129 -13.715 293 H ASP 41 H ASP 41 3.906 -13.871 -10.980 294 HA ASP 41 HA ASP 41 5.803 -13.964 -8.901 295 1HB ASP 41 2HB ASP 41 7.427 -14.575 -10.671 296 2HB ASP 41 1HB ASP 41 5.932 -15.502 -10.797 297 H SER 42 H SER 42 7.914 -12.913 -8.910 298 HA SER 42 HA SER 42 7.685 -10.103 -8.868 299 1HB SER 42 2HB SER 42 10.270 -10.243 -8.741 300 2HB SER 42 1HB SER 42 9.328 -10.967 -7.441 301 HG SER 42 HG SER 42 10.394 -12.706 -7.950 302 H LEU 43 H LEU 43 8.963 -12.314 -11.301 303 HA LEU 43 HA LEU 43 10.164 -10.318 -12.941 304 1HB LEU 43 2HB LEU 43 9.136 -13.044 -13.759 305 2HB LEU 43 1HB LEU 43 10.284 -12.044 -14.651 306 HG LEU 43 HG LEU 43 10.797 -12.929 -11.807 307 1HD1 LEU 43 1HD1 LEU 43 10.487 -14.923 -13.249 308 2HD1 LEU 43 3HD1 LEU 43 11.686 -14.283 -14.373 309 3HD1 LEU 43 2HD1 LEU 43 12.166 -14.744 -12.739 310 1HD2 LEU 43 2HD2 LEU 43 12.444 -11.776 -14.066 311 2HD2 LEU 43 1HD2 LEU 43 12.213 -11.122 -12.445 312 3HD2 LEU 43 3HD2 LEU 43 13.192 -12.571 -12.681 313 H ALA 44 H ALA 44 6.877 -11.293 -12.496 314 HA ALA 44 HA ALA 44 6.010 -10.295 -15.087 315 1HB ALA 44 2HB ALA 44 4.456 -11.324 -12.704 316 2HB ALA 44 1HB ALA 44 3.729 -10.829 -14.233 317 3HB ALA 44 3HB ALA 44 4.828 -12.208 -14.183 318 H LEU 45 H LEU 45 5.695 -9.370 -11.669 319 HA LEU 45 HA LEU 45 4.320 -6.913 -12.371 320 1HB LEU 45 2HB LEU 45 4.196 -6.514 -9.979 321 2HB LEU 45 1HB LEU 45 3.720 -8.168 -10.341 322 HG LEU 45 HG LEU 45 6.420 -8.467 -9.945 323 1HD1 LEU 45 1HD1 LEU 45 6.167 -5.938 -9.138 324 2HD1 LEU 45 3HD1 LEU 45 5.611 -6.718 -7.660 325 3HD1 LEU 45 2HD1 LEU 45 7.224 -7.062 -8.285 326 1HD2 LEU 45 1HD2 LEU 45 3.964 -8.829 -8.296 327 2HD2 LEU 45 3HD2 LEU 45 5.153 -10.023 -8.811 328 3HD2 LEU 45 2HD2 LEU 45 5.507 -8.962 -7.451 329 H MET 46 H MET 46 7.450 -7.720 -12.679 330 HA MET 46 HA MET 46 8.763 -5.533 -11.373 331 1HB MET 46 2HB MET 46 9.909 -7.658 -12.072 332 2HB MET 46 1HB MET 46 9.756 -7.126 -13.747 333 1HG MET 46 2HG MET 46 10.880 -4.926 -12.875 334 2HG MET 46 1HG MET 46 11.406 -5.939 -11.530 335 1HE MET 46 2HE MET 46 13.728 -6.465 -11.590 336 2HE MET 46 1HE MET 46 14.737 -6.363 -13.031 337 3HE MET 46 3HE MET 46 13.783 -4.965 -12.514 338 H GLU 47 H GLU 47 8.283 -6.210 -14.844 339 HA GLU 47 HA GLU 47 8.845 -3.511 -15.608 340 1HB GLU 47 2HB GLU 47 8.721 -5.933 -16.936 341 2HB GLU 47 1HB GLU 47 7.291 -5.095 -17.535 342 1HG GLU 47 2HG GLU 47 9.048 -4.448 -19.003 343 2HG GLU 47 1HG GLU 47 8.832 -3.074 -17.918 344 H THR 48 H THR 48 5.914 -5.384 -15.050 345 HA THR 48 HA THR 48 4.032 -3.558 -16.084 346 HB THR 48 HB THR 48 3.620 -5.381 -13.705 347 HG1 THR 48 HG1 THR 48 3.275 -5.950 -16.459 348 1HG2 THR 48 2HG2 THR 48 1.822 -4.044 -15.726 349 2HG2 THR 48 1HG2 THR 48 1.297 -5.459 -14.814 350 3HG2 THR 48 3HG2 THR 48 1.733 -3.976 -13.965 351 H ALA 49 H ALA 49 5.401 -3.915 -12.835 352 HA ALA 49 HA ALA 49 3.898 -1.806 -11.653 353 1HB ALA 49 2HB ALA 49 6.540 -3.035 -10.831 354 2HB ALA 49 1HB ALA 49 5.601 -1.916 -9.843 355 3HB ALA 49 3HB ALA 49 4.940 -3.500 -10.252 356 H ALA 50 H ALA 50 6.934 -1.961 -13.399 357 HA ALA 50 HA ALA 50 7.962 0.577 -12.705 358 1HB ALA 50 2HB ALA 50 8.311 -1.022 -15.254 359 2HB ALA 50 1HB ALA 50 9.269 0.389 -14.811 360 3HB ALA 50 3HB ALA 50 9.355 -1.076 -13.833 361 H ARG 51 H ARG 51 5.628 -0.477 -15.108 362 HA ARG 51 HA ARG 51 5.466 2.103 -16.405 363 1HB ARG 51 2HB ARG 51 3.671 -0.330 -16.585 364 2HB ARG 51 1HB ARG 51 3.543 1.103 -17.607 365 1HG ARG 51 2HG ARG 51 6.170 0.558 -17.936 366 2HG ARG 51 1HG ARG 51 5.566 -1.075 -17.645 367 1HD ARG 51 2HD ARG 51 5.531 -0.505 -20.055 368 2HD ARG 51 1HD ARG 51 3.913 -0.809 -19.430 369 HE ARG 51 HE ARG 51 4.636 1.980 -19.341 370 1HH1 ARG 51 2HH1 ARG 51 2.172 0.059 -20.278 371 2HH1 ARG 51 1HH1 ARG 51 1.870 0.795 -21.816 372 1HH2 ARG 51 1HH2 ARG 51 4.791 2.665 -21.789 373 2HH2 ARG 51 2HH2 ARG 51 3.354 2.272 -22.672 374 H LEU 52 H LEU 52 3.779 0.378 -13.867 375 HA LEU 52 HA LEU 52 1.480 2.041 -13.732 376 1HB LEU 52 2HB LEU 52 2.759 0.015 -11.967 377 2HB LEU 52 1HB LEU 52 1.634 1.143 -11.212 378 HG LEU 52 HG LEU 52 0.966 -0.412 -13.721 379 1HD1 LEU 52 1HD1 LEU 52 0.684 -1.117 -10.809 380 2HD1 LEU 52 3HD1 LEU 52 -0.498 -1.705 -11.978 381 3HD1 LEU 52 2HD1 LEU 52 1.203 -2.138 -12.151 382 1HD2 LEU 52 2HD2 LEU 52 -0.230 1.800 -12.727 383 2HD2 LEU 52 1HD2 LEU 52 -1.130 0.517 -13.538 384 3HD2 LEU 52 3HD2 LEU 52 -1.065 0.571 -11.776 385 H GLU 53 H GLU 53 4.727 2.318 -12.467 386 HA GLU 53 HA GLU 53 4.005 4.556 -10.734 387 1HB GLU 53 2HB GLU 53 6.434 2.876 -11.139 388 2HB GLU 53 1HB GLU 53 6.655 4.512 -10.518 389 1HG GLU 53 2HG GLU 53 6.339 3.299 -8.547 390 2HG GLU 53 1HG GLU 53 4.702 3.861 -8.886 391 H SER 54 H SER 54 3.997 4.582 -13.845 392 HA SER 54 HA SER 54 5.971 6.681 -14.354 393 1HB SER 54 2HB SER 54 5.310 4.713 -15.966 394 2HB SER 54 1HB SER 54 3.953 5.761 -16.373 395 HG SER 54 HG SER 54 6.706 6.472 -16.439 396 H ARG 55 H ARG 55 2.478 6.167 -14.243 397 HA ARG 55 HA ARG 55 1.812 8.873 -14.978 398 1HB ARG 55 2HB ARG 55 -0.066 7.108 -13.430 399 2HB ARG 55 1HB ARG 55 -0.429 8.282 -14.692 400 1HG ARG 55 2HG ARG 55 1.177 6.480 -16.026 401 2HG ARG 55 1HG ARG 55 0.284 5.435 -14.920 402 1HD ARG 55 2HD ARG 55 -0.984 7.471 -16.773 403 2HD ARG 55 1HD ARG 55 -0.886 5.744 -17.101 404 HE ARG 55 HE ARG 55 -2.722 7.049 -15.296 405 1HH1 ARG 55 2HH1 ARG 55 -2.295 4.265 -17.000 406 2HH1 ARG 55 1HH1 ARG 55 -2.842 3.170 -15.774 407 1HH2 ARG 55 1HH2 ARG 55 -2.878 5.571 -13.271 408 2HH2 ARG 55 2HH2 ARG 55 -3.173 3.909 -13.663 409 H TYR 56 H TYR 56 2.340 7.090 -12.013 410 HA TYR 56 HA TYR 56 1.398 9.225 -10.299 411 1HB TYR 56 2HB TYR 56 2.802 6.599 -9.779 412 2HB TYR 56 1HB TYR 56 2.442 7.754 -8.495 413 HD1 TYR 56 HD1 TYR 56 0.667 6.220 -11.453 414 HD2 TYR 56 HD2 TYR 56 0.465 7.408 -7.322 415 HE1 TYR 56 HE1 TYR 56 -1.655 5.371 -11.317 416 HE2 TYR 56 HE2 TYR 56 -1.858 6.557 -7.194 417 HH TYR 56 HH TYR 56 -3.698 5.820 -9.899 418 H GLY 57 H GLY 57 4.543 7.736 -11.062 419 1HA GLY 57 2HA GLY 57 6.700 8.527 -10.894 420 2HA GLY 57 1HA GLY 57 6.005 10.109 -11.223 421 H VAL 58 H VAL 58 5.251 8.097 -8.431 422 HA VAL 58 HA VAL 58 6.129 10.263 -6.683 423 HB VAL 58 HB VAL 58 3.869 9.282 -6.392 424 1HG1 VAL 58 1HG1 VAL 58 4.499 6.939 -7.026 425 2HG1 VAL 58 3HG1 VAL 58 5.345 6.795 -5.485 426 3HG1 VAL 58 2HG1 VAL 58 3.600 7.036 -5.513 427 1HG2 VAL 58 1HG2 VAL 58 5.909 9.002 -4.190 428 2HG2 VAL 58 3HG2 VAL 58 4.776 10.324 -4.468 429 3HG2 VAL 58 2HG2 VAL 58 4.186 8.762 -3.904 430 H SER 59 H SER 59 6.672 6.802 -7.218 431 HA SER 59 HA SER 59 8.887 6.835 -5.285 432 1HB SER 59 2HB SER 59 7.005 4.955 -5.626 433 2HB SER 59 1HB SER 59 8.195 4.359 -6.780 434 HG SER 59 HG SER 59 8.380 3.661 -4.494 435 H ILE 60 H ILE 60 10.946 6.913 -5.891 436 HA ILE 60 HA ILE 60 11.553 6.974 -8.733 437 HB ILE 60 HB ILE 60 12.435 8.724 -7.199 438 1HG1 ILE 60 2HG1 ILE 60 14.917 8.327 -8.035 439 2HG1 ILE 60 1HG1 ILE 60 14.166 7.020 -8.947 440 1HG2 ILE 60 1HG2 ILE 60 14.021 6.388 -6.114 441 2HG2 ILE 60 3HG2 ILE 60 14.514 8.066 -5.896 442 3HG2 ILE 60 2HG2 ILE 60 12.988 7.501 -5.219 443 1HD1 ILE 60 2HD1 ILE 60 12.409 8.844 -9.613 444 2HD1 ILE 60 1HD1 ILE 60 13.673 9.978 -9.137 445 3HD1 ILE 60 3HD1 ILE 60 13.971 8.818 -10.431 446 HA PRO 61 HA PRO 61 14.247 3.243 -7.486 447 1HB PRO 61 2HB PRO 61 13.414 1.696 -5.396 448 2HB PRO 61 1HB PRO 61 14.541 3.050 -5.228 449 1HG PRO 61 2HG PRO 61 11.706 2.861 -4.422 450 2HG PRO 61 1HG PRO 61 12.988 3.905 -3.795 451 1HD PRO 61 2HD PRO 61 10.923 4.636 -5.620 452 2HD PRO 61 1HD PRO 61 12.312 5.622 -5.125 453 H ASP 62 H ASP 62 14.013 1.412 -8.683 454 HA ASP 62 HA ASP 62 11.271 0.504 -9.252 455 1HB ASP 62 2HB ASP 62 13.873 0.045 -10.731 456 2HB ASP 62 1HB ASP 62 12.313 -0.622 -11.215 457 H ASP 63 H ASP 63 14.371 -0.565 -8.019 458 HA ASP 63 HA ASP 63 13.856 -3.358 -8.048 459 1HB ASP 63 2HB ASP 63 15.682 -1.747 -6.249 460 2HB ASP 63 1HB ASP 63 15.705 -3.502 -6.416 461 H VAL 64 H VAL 64 12.858 -0.789 -5.923 462 HA VAL 64 HA VAL 64 12.354 -2.234 -3.571 463 HB VAL 64 HB VAL 64 12.281 0.232 -3.715 464 1HG1 VAL 64 2HG1 VAL 64 11.074 0.299 -5.922 465 2HG1 VAL 64 1HG1 VAL 64 9.598 -0.146 -5.067 466 3HG1 VAL 64 3HG1 VAL 64 10.401 1.381 -4.705 467 1HG2 VAL 64 2HG2 VAL 64 10.875 -1.322 -2.051 468 2HG2 VAL 64 1HG2 VAL 64 10.747 0.437 -2.002 469 3HG2 VAL 64 3HG2 VAL 64 9.523 -0.513 -2.843 470 H ALA 65 H ALA 65 10.318 -1.671 -6.417 471 HA ALA 65 HA ALA 65 8.127 -3.236 -5.336 472 1HB ALA 65 1HB ALA 65 8.590 -1.976 -8.046 473 2HB ALA 65 3HB ALA 65 7.137 -2.881 -7.622 474 3HB ALA 65 2HB ALA 65 7.531 -1.393 -6.762 475 H GLY 66 H GLY 66 10.831 -3.702 -7.508 476 1HA GLY 66 2HA GLY 66 9.990 -6.050 -8.814 477 2HA GLY 66 1HA GLY 66 11.666 -5.577 -8.552 478 H ARG 67 H ARG 67 11.334 -5.497 -5.627 479 HA ARG 67 HA ARG 67 11.397 -8.409 -5.146 480 1HB ARG 67 2HB ARG 67 13.472 -6.942 -4.718 481 2HB ARG 67 1HB ARG 67 12.584 -6.322 -3.326 482 1HG ARG 67 2HG ARG 67 12.474 -8.462 -2.303 483 2HG ARG 67 1HG ARG 67 12.934 -9.284 -3.795 484 1HD ARG 67 2HD ARG 67 15.147 -8.035 -3.653 485 2HD ARG 67 1HD ARG 67 14.674 -7.555 -2.027 486 HE ARG 67 HE ARG 67 15.058 -10.373 -2.875 487 1HH1 ARG 67 2HH1 ARG 67 14.159 -11.205 -0.601 488 2HH1 ARG 67 1HH1 ARG 67 15.187 -10.712 0.704 489 1HH2 ARG 67 1HH2 ARG 67 16.805 -8.266 -1.146 490 2HH2 ARG 67 2HH2 ARG 67 16.684 -9.047 0.395 491 H VAL 68 H VAL 68 8.912 -7.713 -5.199 492 HA VAL 68 HA VAL 68 8.118 -7.219 -2.390 493 HB VAL 68 HB VAL 68 7.391 -5.413 -3.922 494 1HG1 VAL 68 1HG1 VAL 68 7.150 -7.122 -5.885 495 2HG1 VAL 68 3HG1 VAL 68 5.530 -7.377 -5.239 496 3HG1 VAL 68 2HG1 VAL 68 6.018 -5.775 -5.787 497 1HG2 VAL 68 2HG2 VAL 68 5.939 -6.622 -1.974 498 2HG2 VAL 68 1HG2 VAL 68 5.384 -5.196 -2.851 499 3HG2 VAL 68 3HG2 VAL 68 4.835 -6.800 -3.338 500 H ASP 69 H ASP 69 7.530 -9.049 -1.447 501 HA ASP 69 HA ASP 69 6.316 -11.185 -3.070 502 1HB ASP 69 2HB ASP 69 6.757 -12.614 -1.071 503 2HB ASP 69 1HB ASP 69 8.217 -11.903 -1.760 504 H THR 70 H THR 70 5.123 -8.612 -1.520 505 HA THR 70 HA THR 70 2.693 -10.059 -0.721 506 HB THR 70 HB THR 70 2.596 -8.231 1.180 507 HG1 THR 70 HG1 THR 70 5.379 -8.659 0.876 508 1HG2 THR 70 2HG2 THR 70 2.613 -10.688 1.504 509 2HG2 THR 70 1HG2 THR 70 4.372 -10.680 1.375 510 3HG2 THR 70 3HG2 THR 70 3.582 -9.862 2.723 511 HA PRO 71 HA PRO 71 0.865 -6.715 -2.977 512 1HB PRO 71 2HB PRO 71 -1.708 -6.903 -2.084 513 2HB PRO 71 1HB PRO 71 -0.978 -8.051 -3.218 514 1HG PRO 71 2HG PRO 71 -1.600 -8.384 -0.341 515 2HG PRO 71 1HG PRO 71 -1.509 -9.602 -1.621 516 1HD PRO 71 2HD PRO 71 0.471 -9.077 0.330 517 2HD PRO 71 1HD PRO 71 0.677 -10.064 -1.137 518 H ARG 72 H ARG 72 -0.023 -6.870 0.461 519 HA ARG 72 HA ARG 72 -0.934 -4.236 0.782 520 1HB ARG 72 2HB ARG 72 -1.125 -6.138 2.453 521 2HB ARG 72 1HB ARG 72 0.550 -5.804 2.892 522 1HG ARG 72 2HG ARG 72 -0.437 -4.387 4.397 523 2HG ARG 72 1HG ARG 72 -0.446 -3.295 3.012 524 1HD ARG 72 2HD ARG 72 -2.669 -3.274 3.897 525 2HD ARG 72 1HD ARG 72 -2.729 -4.237 2.425 526 HE ARG 72 HE ARG 72 -2.503 -6.219 4.051 527 1HH1 ARG 72 1HH2 ARG 72 -4.970 -4.029 3.886 528 2HH1 ARG 72 2HH2 ARG 72 -5.620 -4.316 5.466 529 1HH2 ARG 72 2HH1 ARG 72 -2.930 -6.239 6.510 530 2HH2 ARG 72 1HH1 ARG 72 -4.464 -5.568 6.952 531 H GLU 73 H GLU 73 2.292 -5.529 0.534 532 HA GLU 73 HA GLU 73 3.678 -3.331 1.705 533 1HB GLU 73 2HB GLU 73 4.536 -5.731 1.138 534 2HB GLU 73 1HB GLU 73 4.868 -5.045 -0.454 535 1HG GLU 73 2HG GLU 73 6.464 -3.560 0.367 536 2HG GLU 73 1HG GLU 73 5.779 -3.564 1.992 537 H LEU 74 H LEU 74 2.872 -4.208 -1.646 538 HA LEU 74 HA LEU 74 4.163 -2.129 -2.981 539 1HB LEU 74 2HB LEU 74 2.699 -4.198 -3.825 540 2HB LEU 74 1HB LEU 74 1.472 -2.938 -3.966 541 HG LEU 74 HG LEU 74 3.265 -1.564 -5.197 542 1HD1 LEU 74 3HD1 LEU 74 4.518 -4.324 -5.224 543 2HD1 LEU 74 2HD1 LEU 74 4.978 -3.035 -6.337 544 3HD1 LEU 74 1HD1 LEU 74 5.231 -2.836 -4.603 545 1HD2 LEU 74 1HD2 LEU 74 1.877 -4.023 -6.216 546 2HD2 LEU 74 3HD2 LEU 74 1.554 -2.329 -6.584 547 3HD2 LEU 74 2HD2 LEU 74 2.949 -3.137 -7.298 548 H LEU 75 H LEU 75 0.885 -2.210 -1.610 549 HA LEU 75 HA LEU 75 0.091 0.375 -2.427 550 1HB LEU 75 2HB LEU 75 -1.495 -1.314 -1.585 551 2HB LEU 75 1HB LEU 75 -0.763 -1.210 0.013 552 HG LEU 75 HG LEU 75 -1.318 1.403 -0.356 553 1HD1 LEU 75 3HD1 LEU 75 -2.342 0.607 -2.642 554 2HD1 LEU 75 2HD1 LEU 75 -3.712 0.139 -1.637 555 3HD1 LEU 75 1HD1 LEU 75 -3.182 1.820 -1.677 556 1HD2 LEU 75 1HD2 LEU 75 -2.055 -0.207 1.466 557 2HD2 LEU 75 3HD2 LEU 75 -3.216 1.059 1.067 558 3HD2 LEU 75 2HD2 LEU 75 -3.453 -0.579 0.457 559 H ASP 76 H ASP 76 1.562 -0.771 0.594 560 HA ASP 76 HA ASP 76 1.655 1.795 1.817 561 1HB ASP 76 2HB ASP 76 1.933 -0.650 2.813 562 2HB ASP 76 1HB ASP 76 3.643 -0.296 2.568 563 H LEU 77 H LEU 77 3.512 0.502 -0.727 564 HA LEU 77 HA LEU 77 5.948 1.953 -0.077 565 1HB LEU 77 2HB LEU 77 5.072 0.264 -2.414 566 2HB LEU 77 1HB LEU 77 6.560 1.211 -2.463 567 HG LEU 77 HG LEU 77 5.951 -0.654 -0.178 568 1HD1 LEU 77 2HD1 LEU 77 6.093 -1.610 -2.698 569 2HD1 LEU 77 1HD1 LEU 77 7.816 -1.517 -2.330 570 3HD1 LEU 77 3HD1 LEU 77 6.748 -2.484 -1.313 571 1HD2 LEU 77 3HD2 LEU 77 8.490 0.539 -1.335 572 2HD2 LEU 77 2HD2 LEU 77 7.718 0.996 0.184 573 3HD2 LEU 77 1HD2 LEU 77 8.442 -0.603 0.009 574 H ILE 78 H ILE 78 3.773 1.983 -2.892 575 HA ILE 78 HA ILE 78 4.666 4.475 -3.893 576 HB ILE 78 HB ILE 78 1.961 3.178 -4.317 577 1HG1 ILE 78 2HG1 ILE 78 3.788 1.604 -4.830 578 2HG1 ILE 78 1HG1 ILE 78 3.007 2.146 -6.312 579 1HG2 ILE 78 2HG2 ILE 78 2.294 5.593 -5.039 580 2HG2 ILE 78 1HG2 ILE 78 3.520 5.001 -6.161 581 3HG2 ILE 78 3HG2 ILE 78 1.845 4.476 -6.327 582 1HD1 ILE 78 3HD1 ILE 78 4.816 3.877 -6.557 583 2HD1 ILE 78 2HD1 ILE 78 5.632 3.149 -5.173 584 3HD1 ILE 78 1HD1 ILE 78 5.406 2.217 -6.654 585 H ASN 79 H ASN 79 1.988 3.578 -1.805 586 HA ASN 79 HA ASN 79 0.777 6.134 -1.622 587 1HB ASN 79 2HB ASN 79 -0.212 3.856 -0.973 588 2HB ASN 79 1HB ASN 79 0.683 4.033 0.536 589 1HD2 ASN 79 2HD2 ASN 79 -2.710 5.508 1.027 590 2HD2 ASN 79 1HD2 ASN 79 -2.127 3.968 0.618 591 H GLY 80 H GLY 80 3.427 4.598 0.074 592 1HA GLY 80 2HA GLY 80 3.533 6.364 2.301 593 2HA GLY 80 1HA GLY 80 4.850 5.345 1.729 594 H ALA 81 H ALA 81 5.422 6.256 -0.725 595 HA ALA 81 HA ALA 81 6.910 8.605 -0.246 596 1HB ALA 81 3HB ALA 81 6.119 7.285 -2.853 597 2HB ALA 81 2HB ALA 81 7.282 8.605 -2.719 598 3HB ALA 81 1HB ALA 81 7.621 7.050 -1.959 599 H LEU 82 H LEU 82 3.716 8.058 -1.580 600 HA LEU 82 HA LEU 82 3.371 10.697 -2.647 601 1HB LEU 82 2HB LEU 82 2.042 8.445 -3.098 602 2HB LEU 82 1HB LEU 82 1.027 9.058 -1.791 603 HG LEU 82 HG LEU 82 0.957 11.268 -3.071 604 1HD1 LEU 82 2HD1 LEU 82 2.183 9.447 -5.155 605 2HD1 LEU 82 1HD1 LEU 82 1.346 10.944 -5.567 606 3HD1 LEU 82 3HD1 LEU 82 2.805 10.993 -4.575 607 1HD2 LEU 82 1HD2 LEU 82 -0.715 9.166 -3.106 608 2HD2 LEU 82 3HD2 LEU 82 -0.995 10.597 -4.099 609 3HD2 LEU 82 2HD2 LEU 82 -0.251 9.164 -4.808 610 H ALA 83 H ALA 83 2.877 9.196 0.468 611 HA ALA 83 HA ALA 83 1.164 11.163 1.593 612 1HB ALA 83 1HB ALA 83 3.064 9.166 2.828 613 2HB ALA 83 3HB ALA 83 2.056 10.245 3.791 614 3HB ALA 83 2HB ALA 83 1.307 9.064 2.718 615 H GLU 84 H GLU 84 4.641 10.882 1.243 616 HA GLU 84 HA GLU 84 5.344 12.978 3.042 617 1HB GLU 84 2HB GLU 84 6.819 11.755 0.703 618 2HB GLU 84 1HB GLU 84 7.521 12.963 1.780 619 1HG GLU 84 2HG GLU 84 6.816 11.373 3.698 620 2HG GLU 84 1HG GLU 84 6.641 10.153 2.435 621 H ALA 85 H ALA 85 4.659 12.837 -0.423 622 HA ALA 85 HA ALA 85 5.399 15.510 -1.028 623 1HB ALA 85 1HB ALA 85 3.663 13.461 -2.371 624 2HB ALA 85 3HB ALA 85 3.697 15.118 -2.970 625 3HB ALA 85 2HB ALA 85 5.181 14.168 -2.924 626 H ALA 86 HN ALA 86 2.079 14.220 -1.053 627 HA ALA 86 HA ALA 86 1.079 16.220 0.747 628 1HB ALA 86 3HB ALA 86 1.467 17.473 -1.462 629 2HB ALA 86 2HB ALA 86 0.138 16.507 -2.104 630 3HB ALA 86 1HB ALA 86 -0.138 17.595 -0.743 No H/Q in entry = 630 Start of MODEL 11 1 1H MET 1 3H MET 1 -2.098 20.941 -1.390 2 2H MET 1 2H MET 1 -2.556 21.381 -2.965 3 3H MET 1 1H MET 1 -3.496 21.869 -1.636 4 HA MET 1 HA MET 1 -4.102 19.592 -1.168 5 1HB MET 1 2HB MET 1 -4.510 20.609 -3.985 6 2HB MET 1 1HB MET 1 -5.291 19.139 -3.400 7 1HG MET 1 2HG MET 1 -6.076 20.597 -1.405 8 2HG MET 1 1HG MET 1 -5.651 21.970 -2.427 9 1HE MET 1 1HE MET 1 -7.986 22.735 -2.057 10 2HE MET 1 3HE MET 1 -7.522 23.113 -3.721 11 3HE MET 1 2HE MET 1 -9.139 22.511 -3.370 12 H ALA 2 H ALA 2 -3.475 17.521 -1.201 13 HA ALA 2 HA ALA 2 -1.525 16.687 -3.269 14 1HB ALA 2 3HB ALA 2 -1.591 16.181 -0.311 15 2HB ALA 2 2HB ALA 2 -0.834 15.006 -1.386 16 3HB ALA 2 1HB ALA 2 -0.234 16.663 -1.329 17 H THR 3 H THR 3 -1.604 14.488 -3.928 18 HA THR 3 HA THR 3 -4.271 13.263 -3.551 19 HB THR 3 HB THR 3 -2.432 12.497 -5.791 20 HG1 THR 3 HG1 THR 3 -3.297 14.204 -6.995 21 1HG2 THR 3 2HG2 THR 3 -5.426 12.668 -5.380 22 2HG2 THR 3 1HG2 THR 3 -4.674 12.265 -6.925 23 3HG2 THR 3 3HG2 THR 3 -4.452 11.206 -5.531 24 H LEU 4 H LEU 4 -4.361 10.920 -3.498 25 HA LEU 4 HA LEU 4 -1.883 9.502 -2.886 26 1HB LEU 4 2HB LEU 4 -2.798 8.636 -0.732 27 2HB LEU 4 1HB LEU 4 -2.456 10.366 -0.694 28 HG LEU 4 HG LEU 4 -5.187 9.567 -1.567 29 1HD1 LEU 4 3HD1 LEU 4 -4.668 8.070 0.384 30 2HD1 LEU 4 2HD1 LEU 4 -4.357 9.514 1.349 31 3HD1 LEU 4 1HD1 LEU 4 -5.971 9.216 0.702 32 1HD2 LEU 4 3HD2 LEU 4 -4.031 11.715 0.240 33 2HD2 LEU 4 2HD2 LEU 4 -4.548 11.922 -1.433 34 3HD2 LEU 4 1HD2 LEU 4 -5.739 11.573 -0.179 35 H LEU 5 H LEU 5 -2.194 7.188 -2.705 36 HA LEU 5 HA LEU 5 -4.380 6.282 -4.435 37 1HB LEU 5 2HB LEU 5 -1.703 5.617 -4.336 38 2HB LEU 5 1HB LEU 5 -2.457 4.264 -3.493 39 HG LEU 5 HG LEU 5 -4.029 3.987 -5.406 40 1HD1 LEU 5 3HD1 LEU 5 -2.434 6.328 -6.430 41 2HD1 LEU 5 2HD1 LEU 5 -3.181 5.198 -7.558 42 3HD1 LEU 5 1HD1 LEU 5 -4.183 6.101 -6.422 43 1HD2 LEU 5 3HD2 LEU 5 -1.646 2.925 -5.196 44 2HD2 LEU 5 2HD2 LEU 5 -2.493 2.807 -6.738 45 3HD2 LEU 5 1HD2 LEU 5 -1.229 4.017 -6.517 46 H THR 6 H THR 6 -5.348 4.105 -3.861 47 HA THR 6 HA THR 6 -5.741 3.856 -0.940 48 HB THR 6 HB THR 6 -8.018 3.332 -2.814 49 HG1 THR 6 HG1 THR 6 -7.273 5.858 -1.760 50 1HG2 THR 6 3HG2 THR 6 -7.587 3.992 0.082 51 2HG2 THR 6 2HG2 THR 6 -9.140 4.359 -0.670 52 3HG2 THR 6 1HG2 THR 6 -8.547 2.698 -0.635 53 H THR 7 H THR 7 -6.737 1.737 -0.342 54 HA THR 7 HA THR 7 -5.219 -0.408 -1.392 55 HB THR 7 HB THR 7 -7.788 -0.623 0.194 56 HG1 THR 7 HG1 THR 7 -5.124 -0.484 1.143 57 1HG2 THR 7 3HG2 THR 7 -6.649 -2.660 -0.954 58 2HG2 THR 7 2HG2 THR 7 -5.407 -2.462 0.282 59 3HG2 THR 7 1HG2 THR 7 -7.075 -2.791 0.752 60 H ASP 8 H ASP 8 -8.596 0.569 -1.850 61 HA ASP 8 HA ASP 8 -9.387 -1.568 -3.508 62 1HB ASP 8 2HB ASP 8 -10.830 0.307 -2.438 63 2HB ASP 8 1HB ASP 8 -10.427 1.230 -3.886 64 H ASP 9 H ASP 9 -7.498 1.299 -4.129 65 HA ASP 9 HA ASP 9 -7.745 1.302 -6.971 66 1HB ASP 9 2HB ASP 9 -6.846 3.157 -5.343 67 2HB ASP 9 1HB ASP 9 -5.302 2.337 -5.577 68 H LEU 10 H LEU 10 -5.405 -0.095 -4.690 69 HA LEU 10 HA LEU 10 -3.615 -1.068 -6.653 70 1HB LEU 10 2HB LEU 10 -2.444 -2.026 -4.918 71 2HB LEU 10 1HB LEU 10 -3.403 -0.875 -4.001 72 HG LEU 10 HG LEU 10 -5.118 -2.913 -3.891 73 1HD1 LEU 10 2HD1 LEU 10 -3.223 -4.132 -5.357 74 2HD1 LEU 10 1HD1 LEU 10 -2.618 -4.521 -3.748 75 3HD1 LEU 10 3HD1 LEU 10 -4.244 -5.010 -4.221 76 1HD2 LEU 10 2HD2 LEU 10 -3.870 -1.752 -2.001 77 2HD2 LEU 10 1HD2 LEU 10 -4.233 -3.458 -1.729 78 3HD2 LEU 10 3HD2 LEU 10 -2.607 -2.967 -2.204 79 H ARG 11 H ARG 11 -6.565 -2.329 -5.273 80 HA ARG 11 HA ARG 11 -6.389 -4.992 -6.195 81 1HB ARG 11 2HB ARG 11 -8.141 -3.698 -4.623 82 2HB ARG 11 1HB ARG 11 -9.059 -3.685 -6.129 83 1HG ARG 11 2HG ARG 11 -8.928 -6.089 -6.311 84 2HG ARG 11 1HG ARG 11 -7.808 -6.180 -4.952 85 1HD ARG 11 2HD ARG 11 -9.940 -6.749 -4.054 86 2HD ARG 11 1HD ARG 11 -9.638 -5.090 -3.547 87 HE ARG 11 HE ARG 11 -11.021 -4.842 -5.912 88 1HH1 ARG 11 2HH1 ARG 11 -11.699 -4.938 -2.676 89 2HH1 ARG 11 1HH1 ARG 11 -13.333 -5.492 -2.817 90 1HH2 ARG 11 1HH2 ARG 11 -13.074 -6.225 -6.197 91 2HH2 ARG 11 2HH2 ARG 11 -14.113 -6.221 -4.810 92 H ARG 12 H ARG 12 -8.128 -2.203 -7.570 93 HA ARG 12 HA ARG 12 -8.938 -3.466 -9.951 94 1HB ARG 12 2HB ARG 12 -8.720 -0.658 -9.002 95 2HB ARG 12 1HB ARG 12 -8.836 -0.907 -10.744 96 1HG ARG 12 2HG ARG 12 -10.716 -2.505 -9.098 97 2HG ARG 12 1HG ARG 12 -11.002 -0.764 -9.107 98 1HD ARG 12 2HD ARG 12 -11.526 -0.720 -11.341 99 2HD ARG 12 1HD ARG 12 -10.434 -2.044 -11.733 100 HE ARG 12 HE ARG 12 -12.137 -3.585 -10.962 101 1HH1 ARG 12 1HH2 ARG 12 -13.612 -1.604 -9.163 102 2HH1 ARG 12 2HH2 ARG 12 -15.063 -1.330 -10.068 103 1HH2 ARG 12 2HH1 ARG 12 -13.791 -2.647 -13.012 104 2HH2 ARG 12 1HH1 ARG 12 -15.164 -1.921 -12.248 105 H ALA 13 H ALA 13 -5.861 -2.176 -8.999 106 HA ALA 13 HA ALA 13 -4.875 -1.852 -11.703 107 1HB ALA 13 2HB ALA 13 -3.708 -1.573 -8.961 108 2HB ALA 13 1HB ALA 13 -2.626 -1.738 -10.343 109 3HB ALA 13 3HB ALA 13 -3.771 -0.400 -10.275 110 H LEU 14 H LEU 14 -4.906 -4.344 -9.255 111 HA LEU 14 HA LEU 14 -2.853 -5.941 -10.521 112 1HB LEU 14 2HB LEU 14 -4.600 -6.193 -8.128 113 2HB LEU 14 1HB LEU 14 -4.022 -7.692 -8.857 114 HG LEU 14 HG LEU 14 -1.988 -5.554 -8.541 115 1HD1 LEU 14 3HD1 LEU 14 -3.615 -5.793 -6.402 116 2HD1 LEU 14 2HD1 LEU 14 -2.520 -7.137 -6.078 117 3HD1 LEU 14 1HD1 LEU 14 -1.883 -5.502 -6.249 118 1HD2 LEU 14 1HD2 LEU 14 -1.619 -7.925 -9.382 119 2HD2 LEU 14 3HD2 LEU 14 -0.571 -7.436 -8.048 120 3HD2 LEU 14 2HD2 LEU 14 -1.961 -8.477 -7.742 121 H VAL 15 H VAL 15 -6.338 -5.686 -10.623 122 HA VAL 15 HA VAL 15 -6.686 -8.213 -12.010 123 HB VAL 15 HB VAL 15 -8.688 -5.969 -11.666 124 1HG1 VAL 15 3HG1 VAL 15 -8.956 -8.933 -12.252 125 2HG1 VAL 15 2HG1 VAL 15 -10.308 -7.845 -11.939 126 3HG1 VAL 15 1HG1 VAL 15 -9.302 -7.613 -13.369 127 1HG2 VAL 15 1HG2 VAL 15 -7.664 -8.050 -9.800 128 2HG2 VAL 15 3HG2 VAL 15 -8.366 -6.471 -9.447 129 3HG2 VAL 15 2HG2 VAL 15 -9.414 -7.832 -9.841 130 H GLU 16 H GLU 16 -6.627 -4.772 -12.778 131 HA GLU 16 HA GLU 16 -7.453 -4.941 -15.467 132 1HB GLU 16 2HB GLU 16 -5.930 -2.948 -13.847 133 2HB GLU 16 1HB GLU 16 -5.903 -2.793 -15.604 134 1HG GLU 16 2HG GLU 16 -8.475 -3.061 -15.465 135 2HG GLU 16 1HG GLU 16 -8.281 -2.701 -13.751 136 H CYS 17 H CYS 17 -4.362 -5.485 -13.911 137 HA CYS 17 HA CYS 17 -2.746 -5.422 -16.251 138 1HB CYS 17 2HB CYS 17 -2.425 -6.484 -13.475 139 2HB CYS 17 1HB CYS 17 -1.295 -7.019 -14.719 140 HG CYS 17 HG CYS 17 -1.460 -4.056 -14.922 141 H ALA 18 H ALA 18 -4.108 -8.141 -14.388 142 HA ALA 18 HA ALA 18 -4.038 -9.754 -16.867 143 1HB ALA 18 1HB ALA 18 -2.236 -10.384 -15.187 144 2HB ALA 18 3HB ALA 18 -3.540 -10.884 -14.111 145 3HB ALA 18 2HB ALA 18 -3.323 -11.687 -15.666 146 H GLY 19 H GLY 19 -6.227 -9.368 -17.252 147 1HA GLY 19 2HA GLY 19 -8.206 -10.943 -16.882 148 2HA GLY 19 1HA GLY 19 -8.115 -10.385 -15.213 149 H GLU 20 H GLU 20 -10.256 -10.120 -17.266 150 HA GLU 20 HA GLU 20 -10.367 -7.194 -17.593 151 1HB GLU 20 2HB GLU 20 -12.231 -9.285 -18.745 152 2HB GLU 20 1HB GLU 20 -12.151 -7.579 -19.181 153 1HG GLU 20 2HG GLU 20 -9.658 -8.080 -19.748 154 2HG GLU 20 1HG GLU 20 -10.171 -9.768 -19.775 155 H THR 21 H THR 21 -10.587 -7.637 -15.053 156 HA THR 21 HA THR 21 -11.888 -7.689 -13.147 157 HB THR 21 HB THR 21 -12.195 -5.408 -13.667 158 HG1 THR 21 HG1 THR 21 -14.448 -5.122 -13.102 159 1HG2 THR 21 2HG2 THR 21 -14.230 -6.328 -15.709 160 2HG2 THR 21 1HG2 THR 21 -13.946 -4.647 -15.268 161 3HG2 THR 21 3HG2 THR 21 -12.669 -5.583 -16.043 162 H ASP 22 H ASP 22 -12.674 -9.657 -12.783 163 HA ASP 22 HA ASP 22 -15.175 -10.483 -14.084 164 1HB ASP 22 2HB ASP 22 -13.187 -11.977 -12.365 165 2HB ASP 22 1HB ASP 22 -14.722 -12.665 -12.896 166 H GLY 23 H GLY 23 -14.810 -8.394 -11.837 167 1HA GLY 23 2HA GLY 23 -16.539 -7.757 -10.332 168 2HA GLY 23 1HA GLY 23 -16.991 -9.451 -10.171 169 H THR 24 H THR 24 -14.182 -10.298 -9.813 170 HA THR 24 HA THR 24 -12.683 -10.687 -8.125 171 HB THR 24 HB THR 24 -13.401 -8.137 -6.749 172 HG1 THR 24 HG1 THR 24 -13.274 -7.231 -8.658 173 1HG2 THR 24 1HG2 THR 24 -10.874 -9.674 -7.374 174 2HG2 THR 24 3HG2 THR 24 -10.857 -8.057 -6.667 175 3HG2 THR 24 2HG2 THR 24 -11.605 -9.396 -5.793 176 H ASP 25 H ASP 25 -12.845 -11.915 -6.377 177 HA ASP 25 HA ASP 25 -15.268 -11.637 -4.698 178 1HB ASP 25 2HB ASP 25 -14.779 -13.774 -6.258 179 2HB ASP 25 1HB ASP 25 -13.891 -14.262 -4.816 180 H LEU 26 H LEU 26 -14.212 -10.309 -3.221 181 HA LEU 26 HA LEU 26 -12.360 -11.745 -1.432 182 1HB LEU 26 2HB LEU 26 -12.010 -8.856 -2.274 183 2HB LEU 26 1HB LEU 26 -10.987 -9.752 -1.150 184 HG LEU 26 HG LEU 26 -11.432 -10.617 -4.016 185 1HD1 LEU 26 2HD1 LEU 26 -9.639 -8.560 -2.857 186 2HD1 LEU 26 1HD1 LEU 26 -8.867 -9.709 -3.950 187 3HD1 LEU 26 3HD1 LEU 26 -10.230 -8.738 -4.508 188 1HD2 LEU 26 3HD2 LEU 26 -9.860 -11.567 -1.680 189 2HD2 LEU 26 2HD2 LEU 26 -10.522 -12.479 -3.036 190 3HD2 LEU 26 1HD2 LEU 26 -9.015 -11.584 -3.230 191 H SER 27 H SER 27 -13.684 -12.017 0.273 192 HA SER 27 HA SER 27 -15.738 -10.288 1.079 193 1HB SER 27 2HB SER 27 -14.189 -12.075 2.946 194 2HB SER 27 1HB SER 27 -15.869 -11.565 3.085 195 HG SER 27 HG SER 27 -14.693 -13.497 1.461 196 H GLY 28 H GLY 28 -12.335 -10.101 1.566 197 1HA GLY 28 2HA GLY 28 -12.171 -7.489 2.338 198 2HA GLY 28 1HA GLY 28 -12.425 -8.351 3.853 199 H ASP 29 H ASP 29 -11.007 -10.746 2.916 200 HA ASP 29 HA ASP 29 -8.281 -9.774 3.405 201 1HB ASP 29 2HB ASP 29 -9.356 -12.604 3.413 202 2HB ASP 29 1HB ASP 29 -7.746 -12.099 3.927 203 H PHE 30 H PHE 30 -7.357 -9.160 1.525 204 HA PHE 30 HA PHE 30 -7.013 -11.240 -0.518 205 1HB PHE 30 2HB PHE 30 -7.453 -9.658 -2.341 206 2HB PHE 30 1HB PHE 30 -8.874 -9.866 -1.323 207 HD1 PHE 30 HD1 PHE 30 -9.144 -8.151 0.651 208 HD2 PHE 30 HD2 PHE 30 -6.673 -7.494 -2.801 209 HE1 PHE 30 HE1 PHE 30 -9.209 -5.707 1.066 210 HE2 PHE 30 HE2 PHE 30 -6.738 -5.054 -2.385 211 HZ PHE 30 HZ PHE 30 -8.007 -4.159 -0.454 212 H LEU 31 H LEU 31 -5.386 -9.751 1.607 213 HA LEU 31 HA LEU 31 -3.159 -9.041 -0.195 214 1HB LEU 31 2HB LEU 31 -3.952 -7.563 2.328 215 2HB LEU 31 1HB LEU 31 -2.502 -7.250 1.374 216 HG LEU 31 HG LEU 31 -5.137 -7.248 -0.038 217 1HD1 LEU 31 1HD1 LEU 31 -4.318 -5.353 2.089 218 2HD1 LEU 31 3HD1 LEU 31 -4.890 -4.619 0.590 219 3HD1 LEU 31 2HD1 LEU 31 -5.928 -5.734 1.476 220 1HD2 LEU 31 3HD2 LEU 31 -2.887 -6.979 -1.157 221 2HD2 LEU 31 2HD2 LEU 31 -4.009 -5.649 -1.451 222 3HD2 LEU 31 1HD2 LEU 31 -2.703 -5.460 -0.280 223 H ASP 32 H ASP 32 -3.791 -11.520 1.211 224 HA ASP 32 HA ASP 32 -1.841 -11.624 3.392 225 1HB ASP 32 2HB ASP 32 -3.987 -13.427 2.370 226 2HB ASP 32 1HB ASP 32 -2.617 -14.165 3.200 227 H LEU 33 H LEU 33 -2.305 -12.706 0.089 228 HA LEU 33 HA LEU 33 0.484 -13.003 -0.378 229 1HB LEU 33 2HB LEU 33 0.453 -15.467 -0.847 230 2HB LEU 33 1HB LEU 33 0.304 -15.068 0.864 231 HG LEU 33 HG LEU 33 -2.263 -15.238 -0.599 232 1HD1 LEU 33 2HD1 LEU 33 -0.738 -17.107 -1.532 233 2HD1 LEU 33 1HD1 LEU 33 -0.852 -17.818 0.079 234 3HD1 LEU 33 3HD1 LEU 33 -2.309 -17.582 -0.887 235 1HD2 LEU 33 3HD2 LEU 33 -1.390 -15.236 2.049 236 2HD2 LEU 33 2HD2 LEU 33 -3.017 -15.638 1.502 237 3HD2 LEU 33 1HD2 LEU 33 -1.834 -16.918 1.768 238 H ARG 34 H ARG 34 -1.076 -11.477 -1.763 239 HA ARG 34 HA ARG 34 -2.427 -12.777 -3.951 240 1HB ARG 34 2HB ARG 34 -3.061 -10.513 -3.065 241 2HB ARG 34 1HB ARG 34 -1.565 -9.881 -3.755 242 1HG ARG 34 2HG ARG 34 -2.954 -9.489 -5.546 243 2HG ARG 34 1HG ARG 34 -2.504 -11.151 -5.925 244 1HD ARG 34 2HD ARG 34 -4.565 -11.679 -4.314 245 2HD ARG 34 1HD ARG 34 -5.072 -10.079 -4.843 246 HE ARG 34 HE ARG 34 -4.423 -11.373 -7.173 247 1HH1 ARG 34 2HH1 ARG 34 -5.307 -13.791 -5.431 248 2HH1 ARG 34 1HH1 ARG 34 -6.963 -13.940 -5.914 249 1HH2 ARG 34 1HH2 ARG 34 -7.089 -10.806 -7.390 250 2HH2 ARG 34 2HH2 ARG 34 -7.973 -12.249 -7.022 251 H PHE 35 H PHE 35 0.748 -11.410 -3.369 252 HA PHE 35 HA PHE 35 1.530 -11.558 -6.160 253 1HB PHE 35 2HB PHE 35 2.873 -10.729 -3.618 254 2HB PHE 35 1HB PHE 35 3.861 -11.122 -5.025 255 HD1 PHE 35 HD2 PHE 35 0.573 -9.378 -4.513 256 HD2 PHE 35 HD1 PHE 35 4.526 -9.215 -6.192 257 HE1 PHE 35 HE2 PHE 35 0.074 -7.149 -5.476 258 HE2 PHE 35 HE1 PHE 35 4.022 -6.987 -7.150 259 HZ PHE 35 HZ PHE 35 1.803 -5.956 -6.795 260 H GLU 36 H GLU 36 1.538 -13.674 -3.425 261 HA GLU 36 HA GLU 36 3.553 -15.418 -4.666 262 1HB GLU 36 2HB GLU 36 2.253 -15.493 -1.937 263 2HB GLU 36 1HB GLU 36 3.401 -16.696 -2.525 264 1HG GLU 36 2HG GLU 36 5.151 -15.067 -2.708 265 2HG GLU 36 1HG GLU 36 4.022 -13.734 -2.454 266 H ASP 37 H ASP 37 0.148 -15.083 -4.375 267 HA ASP 37 HA ASP 37 -0.694 -17.758 -4.318 268 1HB ASP 37 2HB ASP 37 -2.162 -15.704 -4.108 269 2HB ASP 37 1HB ASP 37 -2.065 -15.554 -5.862 270 H ILE 38 H ILE 38 -0.436 -15.640 -7.188 271 HA ILE 38 HA ILE 38 -0.349 -18.034 -8.889 272 HB ILE 38 HB ILE 38 -0.396 -15.167 -9.833 273 1HG1 ILE 38 2HG1 ILE 38 -2.779 -16.970 -9.287 274 2HG1 ILE 38 1HG1 ILE 38 -2.302 -15.611 -8.269 275 1HG2 ILE 38 3HG2 ILE 38 -0.697 -17.877 -11.021 276 2HG2 ILE 38 2HG2 ILE 38 -1.779 -16.626 -11.636 277 3HG2 ILE 38 1HG2 ILE 38 -0.031 -16.404 -11.728 278 1HD1 ILE 38 3HD1 ILE 38 -2.769 -15.220 -11.218 279 2HD1 ILE 38 2HD1 ILE 38 -4.121 -15.206 -10.084 280 3HD1 ILE 38 1HD1 ILE 38 -2.822 -14.024 -9.922 281 H GLY 39 H GLY 39 1.955 -17.092 -7.192 282 1HA GLY 39 2HA GLY 39 4.244 -16.889 -7.372 283 2HA GLY 39 1HA GLY 39 4.062 -17.680 -8.936 284 H TYR 40 H TYR 40 2.683 -14.580 -7.967 285 HA TYR 40 HA TYR 40 3.414 -13.234 -10.321 286 1HB TYR 40 2HB TYR 40 2.178 -12.537 -7.769 287 2HB TYR 40 1HB TYR 40 3.209 -11.241 -8.366 288 HD1 TYR 40 HD2 TYR 40 0.309 -13.410 -9.195 289 HD2 TYR 40 HD1 TYR 40 2.642 -9.978 -10.320 290 HE1 TYR 40 HE2 TYR 40 -1.427 -12.770 -10.846 291 HE2 TYR 40 HE1 TYR 40 0.903 -9.341 -11.971 292 HH TYR 40 HH TYR 40 -2.200 -10.837 -12.046 293 H ASP 41 H ASP 41 5.592 -13.542 -10.781 294 HA ASP 41 HA ASP 41 7.625 -12.745 -8.877 295 1HB ASP 41 2HB ASP 41 9.200 -13.227 -10.748 296 2HB ASP 41 1HB ASP 41 8.138 -14.586 -10.380 297 H SER 42 H SER 42 9.371 -11.221 -9.737 298 HA SER 42 HA SER 42 8.259 -8.651 -10.044 299 1HB SER 42 2HB SER 42 10.577 -9.259 -9.152 300 2HB SER 42 1HB SER 42 11.077 -9.378 -10.837 301 HG SER 42 HG SER 42 11.443 -7.291 -10.201 302 H LEU 43 H LEU 43 9.537 -10.953 -12.387 303 HA LEU 43 HA LEU 43 9.661 -9.243 -14.621 304 1HB LEU 43 2HB LEU 43 10.129 -11.963 -14.123 305 2HB LEU 43 1HB LEU 43 8.862 -11.947 -15.345 306 HG LEU 43 HG LEU 43 11.086 -11.946 -16.400 307 1HD1 LEU 43 2HD1 LEU 43 9.046 -10.528 -17.243 308 2HD1 LEU 43 1HD1 LEU 43 10.049 -9.152 -16.782 309 3HD1 LEU 43 3HD1 LEU 43 10.626 -10.300 -17.990 310 1HD2 LEU 43 3HD2 LEU 43 12.066 -10.636 -14.358 311 2HD2 LEU 43 2HD2 LEU 43 12.738 -10.337 -15.961 312 3HD2 LEU 43 1HD2 LEU 43 11.582 -9.202 -15.263 313 H ALA 44 H ALA 44 6.979 -10.913 -13.114 314 HA ALA 44 HA ALA 44 5.160 -10.530 -15.318 315 1HB ALA 44 2HB ALA 44 4.649 -11.240 -12.419 316 2HB ALA 44 1HB ALA 44 3.428 -11.254 -13.693 317 3HB ALA 44 3HB ALA 44 4.791 -12.371 -13.765 318 H LEU 45 H LEU 45 5.550 -9.047 -12.108 319 HA LEU 45 HA LEU 45 3.654 -6.939 -12.802 320 1HB LEU 45 2HB LEU 45 3.956 -6.221 -10.468 321 2HB LEU 45 1HB LEU 45 3.521 -7.919 -10.599 322 HG LEU 45 HG LEU 45 6.342 -7.867 -10.708 323 1HD1 LEU 45 2HD1 LEU 45 5.667 -5.491 -9.582 324 2HD1 LEU 45 1HD1 LEU 45 5.665 -6.523 -8.152 325 3HD1 LEU 45 3HD1 LEU 45 7.118 -6.393 -9.143 326 1HD2 LEU 45 1HD2 LEU 45 4.421 -9.338 -9.489 327 2HD2 LEU 45 3HD2 LEU 45 6.123 -9.425 -9.036 328 3HD2 LEU 45 2HD2 LEU 45 5.013 -8.422 -8.105 329 H MET 46 H MET 46 6.537 -7.261 -13.893 330 HA MET 46 HA MET 46 8.045 -5.049 -12.948 331 1HB MET 46 2HB MET 46 8.718 -7.102 -14.494 332 2HB MET 46 1HB MET 46 8.315 -5.964 -15.779 333 1HG MET 46 2HG MET 46 10.539 -5.416 -15.460 334 2HG MET 46 1HG MET 46 9.792 -4.314 -14.304 335 1HE MET 46 2HE MET 46 12.619 -5.513 -14.712 336 2HE MET 46 1HE MET 46 13.240 -6.467 -13.367 337 3HE MET 46 3HE MET 46 12.380 -7.258 -14.696 338 H GLU 47 H GLU 47 5.694 -5.457 -15.550 339 HA GLU 47 HA GLU 47 6.045 -2.796 -16.592 340 1HB GLU 47 2HB GLU 47 4.035 -4.986 -17.073 341 2HB GLU 47 1HB GLU 47 3.834 -3.381 -17.780 342 1HG GLU 47 2HG GLU 47 5.014 -4.601 -19.433 343 2HG GLU 47 1HG GLU 47 6.259 -3.650 -18.621 344 H THR 48 H THR 48 4.025 -4.299 -14.171 345 HA THR 48 HA THR 48 2.009 -2.304 -14.036 346 HB THR 48 HB THR 48 2.954 -4.017 -11.733 347 HG1 THR 48 HG1 THR 48 2.049 -5.672 -12.668 348 1HG2 THR 48 2HG2 THR 48 0.295 -2.779 -12.496 349 2HG2 THR 48 1HG2 THR 48 0.531 -3.882 -11.141 350 3HG2 THR 48 3HG2 THR 48 1.324 -2.306 -11.144 351 H ALA 49 H ALA 49 4.883 -2.861 -11.997 352 HA ALA 49 HA ALA 49 4.565 -0.415 -10.545 353 1HB ALA 49 3HB ALA 49 5.810 -2.512 -9.772 354 2HB ALA 49 2HB ALA 49 7.133 -1.975 -10.807 355 3HB ALA 49 1HB ALA 49 6.600 -0.967 -9.462 356 H ALA 50 H ALA 50 6.253 -1.356 -13.460 357 HA ALA 50 HA ALA 50 8.000 0.885 -13.622 358 1HB ALA 50 2HB ALA 50 6.895 -0.895 -15.808 359 2HB ALA 50 1HB ALA 50 8.201 0.271 -16.019 360 3HB ALA 50 3HB ALA 50 8.420 -1.115 -14.949 361 H ARG 51 H ARG 51 4.668 0.333 -14.545 362 HA ARG 51 HA ARG 51 4.481 2.788 -16.084 363 1HB ARG 51 2HB ARG 51 3.091 0.523 -16.284 364 2HB ARG 51 1HB ARG 51 2.047 1.356 -15.131 365 1HG ARG 51 2HG ARG 51 1.493 3.034 -16.630 366 2HG ARG 51 1HG ARG 51 3.002 2.870 -17.529 367 1HD ARG 51 2HD ARG 51 2.031 0.472 -18.086 368 2HD ARG 51 1HD ARG 51 0.492 1.248 -17.723 369 HE ARG 51 HE ARG 51 1.004 2.851 -19.524 370 1HH1 ARG 51 1HH2 ARG 51 3.925 2.304 -19.880 371 2HH1 ARG 51 2HH2 ARG 51 3.953 1.289 -21.283 372 1HH2 ARG 51 2HH1 ARG 51 0.579 0.506 -21.110 373 2HH2 ARG 51 1HH1 ARG 51 2.058 0.272 -21.979 374 H LEU 52 H LEU 52 3.758 1.663 -12.848 375 HA LEU 52 HA LEU 52 2.148 3.892 -12.069 376 1HB LEU 52 2HB LEU 52 2.761 1.451 -10.948 377 2HB LEU 52 1HB LEU 52 3.660 2.563 -9.921 378 HG LEU 52 HG LEU 52 1.394 2.214 -9.034 379 1HD1 LEU 52 1HD1 LEU 52 2.636 4.579 -9.227 380 2HD1 LEU 52 3HD1 LEU 52 1.199 4.964 -10.174 381 3HD1 LEU 52 2HD1 LEU 52 1.035 4.424 -8.503 382 1HD2 LEU 52 1HD2 LEU 52 0.525 1.864 -11.506 383 2HD2 LEU 52 3HD2 LEU 52 -0.555 2.512 -10.272 384 3HD2 LEU 52 2HD2 LEU 52 0.219 3.598 -11.424 385 H GLU 53 H GLU 53 5.585 3.268 -12.177 386 HA GLU 53 HA GLU 53 6.481 5.255 -10.393 387 1HB GLU 53 2HB GLU 53 7.753 4.022 -12.839 388 2HB GLU 53 1HB GLU 53 8.589 5.188 -11.813 389 1HG GLU 53 2HG GLU 53 7.267 2.926 -10.411 390 2HG GLU 53 1HG GLU 53 8.682 2.518 -11.380 391 H SER 54 H SER 54 5.425 5.398 -13.730 392 HA SER 54 HA SER 54 6.197 8.225 -13.931 393 1HB SER 54 2HB SER 54 5.264 7.913 -16.305 394 2HB SER 54 1HB SER 54 6.755 7.066 -15.904 395 HG SER 54 HG SER 54 5.536 5.489 -16.723 396 H ARG 55 H ARG 55 3.425 6.240 -13.327 397 HA ARG 55 HA ARG 55 1.349 7.864 -14.269 398 1HB ARG 55 2HB ARG 55 1.094 5.540 -13.361 399 2HB ARG 55 1HB ARG 55 1.296 6.205 -11.739 400 1HG ARG 55 2HG ARG 55 -1.004 6.301 -11.883 401 2HG ARG 55 1HG ARG 55 -0.616 7.868 -12.595 402 1HD ARG 55 2HD ARG 55 -0.457 6.392 -14.816 403 2HD ARG 55 1HD ARG 55 -1.568 5.366 -13.916 404 HE ARG 55 HE ARG 55 -2.812 7.683 -13.641 405 1HH1 ARG 55 1HH2 ARG 55 -2.539 5.633 -16.211 406 2HH1 ARG 55 2HH2 ARG 55 -2.909 6.786 -17.449 407 1HH2 ARG 55 2HH1 ARG 55 -2.696 9.524 -15.333 408 2HH2 ARG 55 1HH1 ARG 55 -2.997 8.988 -16.952 409 H TYR 56 H TYR 56 2.895 7.815 -11.053 410 HA TYR 56 HA TYR 56 1.682 10.465 -10.535 411 1HB TYR 56 2HB TYR 56 2.634 8.364 -8.574 412 2HB TYR 56 1HB TYR 56 2.018 9.956 -8.131 413 HD1 TYR 56 HD2 TYR 56 -0.257 10.456 -9.764 414 HD2 TYR 56 HD1 TYR 56 1.056 6.707 -8.124 415 HE1 TYR 56 HE2 TYR 56 -2.578 9.591 -9.881 416 HE2 TYR 56 HE1 TYR 56 -1.264 5.844 -8.241 417 HH TYR 56 HH TYR 56 -3.517 6.868 -10.029 418 H GLY 57 H GLY 57 4.642 8.566 -10.442 419 1HA GLY 57 2HA GLY 57 6.785 9.513 -10.909 420 2HA GLY 57 1HA GLY 57 6.187 11.071 -10.343 421 H VAL 58 H VAL 58 6.036 7.857 -8.845 422 HA VAL 58 HA VAL 58 6.684 8.826 -6.261 423 HB VAL 58 HB VAL 58 5.366 6.789 -6.626 424 1HG1 VAL 58 2HG1 VAL 58 7.131 6.174 -8.583 425 2HG1 VAL 58 1HG1 VAL 58 7.761 5.164 -7.282 426 3HG1 VAL 58 3HG1 VAL 58 6.090 4.977 -7.814 427 1HG2 VAL 58 2HG2 VAL 58 6.726 7.111 -4.536 428 2HG2 VAL 58 1HG2 VAL 58 6.401 5.423 -4.926 429 3HG2 VAL 58 3HG2 VAL 58 7.984 6.117 -5.267 430 H SER 59 H SER 59 8.548 8.169 -4.976 431 HA SER 59 HA SER 59 11.025 8.196 -6.589 432 1HB SER 59 2HB SER 59 10.785 9.008 -3.694 433 2HB SER 59 1HB SER 59 12.099 9.353 -4.813 434 HG SER 59 HG SER 59 11.018 11.127 -5.151 435 H ILE 60 H ILE 60 9.724 5.750 -6.156 436 HA ILE 60 HA ILE 60 11.354 4.452 -4.072 437 HB ILE 60 HB ILE 60 8.666 3.913 -5.239 438 1HG1 ILE 60 2HG1 ILE 60 8.438 2.976 -2.850 439 2HG1 ILE 60 1HG1 ILE 60 10.049 3.635 -2.574 440 1HG2 ILE 60 3HG2 ILE 60 9.907 1.855 -5.934 441 2HG2 ILE 60 2HG2 ILE 60 10.390 1.614 -4.256 442 3HG2 ILE 60 1HG2 ILE 60 8.689 1.527 -4.703 443 1HD1 ILE 60 1HD1 ILE 60 9.015 5.825 -3.604 444 2HD1 ILE 60 3HD1 ILE 60 7.484 5.084 -3.144 445 3HD1 ILE 60 2HD1 ILE 60 8.704 5.421 -1.917 446 HA PRO 61 HA PRO 61 13.836 2.810 -7.368 447 1HB PRO 61 2HB PRO 61 15.179 0.879 -5.977 448 2HB PRO 61 1HB PRO 61 15.524 2.610 -5.846 449 1HG PRO 61 2HG PRO 61 14.146 0.817 -3.932 450 2HG PRO 61 1HG PRO 61 15.057 2.303 -3.630 451 1HD PRO 61 2HD PRO 61 12.238 2.053 -3.693 452 2HD PRO 61 1HD PRO 61 13.160 3.574 -3.687 453 H ASP 62 H ASP 62 14.588 0.530 -8.195 454 HA ASP 62 HA ASP 62 12.153 -1.031 -8.634 455 1HB ASP 62 2HB ASP 62 14.678 -0.568 -10.092 456 2HB ASP 62 1HB ASP 62 14.056 -2.213 -10.192 457 H ASP 63 H ASP 63 14.836 -1.174 -6.573 458 HA ASP 63 HA ASP 63 15.183 -4.034 -6.580 459 1HB ASP 63 2HB ASP 63 16.061 -1.970 -4.546 460 2HB ASP 63 1HB ASP 63 16.602 -3.648 -4.615 461 H VAL 64 H VAL 64 13.627 -1.674 -4.416 462 HA VAL 64 HA VAL 64 12.648 -3.707 -2.632 463 HB VAL 64 HB VAL 64 13.146 -1.409 -1.866 464 1HG1 VAL 64 3HG1 VAL 64 12.291 -0.274 -3.942 465 2HG1 VAL 64 2HG1 VAL 64 10.652 -0.605 -3.382 466 3HG1 VAL 64 1HG1 VAL 64 11.710 0.446 -2.441 467 1HG2 VAL 64 3HG2 VAL 64 10.281 -2.355 -1.587 468 2HG2 VAL 64 2HG2 VAL 64 11.634 -2.725 -0.516 469 3HG2 VAL 64 1HG2 VAL 64 10.993 -1.084 -0.591 470 H ALA 65 H ALA 65 11.188 -1.677 -5.159 471 HA ALA 65 HA ALA 65 8.568 -2.822 -4.828 472 1HB ALA 65 3HB ALA 65 8.853 -0.554 -5.740 473 2HB ALA 65 2HB ALA 65 9.711 -1.219 -7.130 474 3HB ALA 65 1HB ALA 65 8.006 -1.595 -6.885 475 H GLY 66 H GLY 66 11.362 -3.444 -6.844 476 1HA GLY 66 2HA GLY 66 10.077 -5.179 -8.712 477 2HA GLY 66 1HA GLY 66 11.810 -5.073 -8.422 478 H ARG 67 H ARG 67 11.673 -5.655 -5.604 479 HA ARG 67 HA ARG 67 11.242 -8.558 -5.793 480 1HB ARG 67 2HB ARG 67 12.822 -6.845 -3.869 481 2HB ARG 67 1HB ARG 67 12.535 -8.565 -3.605 482 1HG ARG 67 2HG ARG 67 13.396 -8.667 -6.155 483 2HG ARG 67 1HG ARG 67 14.258 -7.221 -5.625 484 1HD ARG 67 2HD ARG 67 15.449 -8.376 -3.976 485 2HD ARG 67 1HD ARG 67 14.276 -9.686 -3.907 486 HE ARG 67 HE ARG 67 16.403 -9.362 -5.907 487 1HH1 ARG 67 2HH1 ARG 67 14.099 -10.445 -7.375 488 2HH1 ARG 67 1HH1 ARG 67 14.211 -12.153 -7.112 489 1HH2 ARG 67 1HH2 ARG 67 16.362 -11.865 -4.408 490 2HH2 ARG 67 2HH2 ARG 67 15.493 -12.957 -5.433 491 H VAL 68 H VAL 68 8.973 -6.818 -5.545 492 HA VAL 68 HA VAL 68 8.100 -6.792 -2.806 493 HB VAL 68 HB VAL 68 7.273 -5.146 -4.464 494 1HG1 VAL 68 3HG1 VAL 68 7.150 -6.942 -6.322 495 2HG1 VAL 68 2HG1 VAL 68 5.580 -7.353 -5.633 496 3HG1 VAL 68 1HG1 VAL 68 5.866 -5.733 -6.270 497 1HG2 VAL 68 3HG2 VAL 68 5.923 -6.133 -2.407 498 2HG2 VAL 68 2HG2 VAL 68 5.151 -5.015 -3.532 499 3HG2 VAL 68 1HG2 VAL 68 4.867 -6.750 -3.677 500 H ASP 69 H ASP 69 7.607 -8.572 -1.732 501 HA ASP 69 HA ASP 69 6.635 -10.936 -3.170 502 1HB ASP 69 2HB ASP 69 7.516 -10.547 -0.300 503 2HB ASP 69 1HB ASP 69 6.943 -12.076 -0.968 504 H THR 70 H THR 70 5.574 -8.481 -0.921 505 HA THR 70 HA THR 70 2.963 -9.841 -0.661 506 HB THR 70 HB THR 70 2.737 -7.879 1.127 507 HG1 THR 70 HG1 THR 70 5.513 -8.439 1.083 508 1HG2 THR 70 1HG2 THR 70 4.078 -10.561 1.323 509 2HG2 THR 70 3HG2 THR 70 3.932 -9.542 2.755 510 3HG2 THR 70 2HG2 THR 70 2.485 -10.072 1.899 511 HA PRO 71 HA PRO 71 1.233 -6.627 -3.173 512 1HB PRO 71 2HB PRO 71 -1.389 -6.833 -2.450 513 2HB PRO 71 1HB PRO 71 -0.562 -8.015 -3.473 514 1HG PRO 71 2HG PRO 71 -1.384 -8.236 -0.635 515 2HG PRO 71 1HG PRO 71 -1.167 -9.504 -1.847 516 1HD PRO 71 2HD PRO 71 0.655 -8.827 0.214 517 2HD PRO 71 1HD PRO 71 0.982 -9.891 -1.174 518 H ARG 72 H ARG 72 0.015 -6.662 0.173 519 HA ARG 72 HA ARG 72 -0.919 -4.029 0.322 520 1HB ARG 72 2HB ARG 72 -1.069 -6.011 2.035 521 2HB ARG 72 1HB ARG 72 0.407 -5.300 2.688 522 1HG ARG 72 2HG ARG 72 -0.652 -3.300 3.271 523 2HG ARG 72 1HG ARG 72 -1.959 -3.541 2.111 524 1HD ARG 72 2HD ARG 72 -2.755 -5.473 3.486 525 2HD ARG 72 1HD ARG 72 -1.517 -5.091 4.677 526 HE ARG 72 HE ARG 72 -2.762 -3.192 5.310 527 1HH1 ARG 72 1HH2 ARG 72 -3.696 -1.943 2.880 528 2HH1 ARG 72 2HH2 ARG 72 -5.378 -2.350 2.795 529 1HH2 ARG 72 2HH1 ARG 72 -5.134 -4.960 5.064 530 2HH2 ARG 72 1HH1 ARG 72 -6.191 -4.057 4.031 531 H GLU 73 H GLU 73 2.329 -5.255 0.293 532 HA GLU 73 HA GLU 73 3.578 -3.001 1.541 533 1HB GLU 73 2HB GLU 73 4.602 -5.308 1.277 534 2HB GLU 73 1HB GLU 73 4.854 -4.911 -0.423 535 1HG GLU 73 2HG GLU 73 6.860 -4.138 0.382 536 2HG GLU 73 1HG GLU 73 5.898 -2.692 0.691 537 H LEU 74 H LEU 74 2.896 -3.957 -1.800 538 HA LEU 74 HA LEU 74 4.304 -1.928 -3.131 539 1HB LEU 74 2HB LEU 74 2.804 -4.027 -3.957 540 2HB LEU 74 1HB LEU 74 1.686 -2.703 -4.286 541 HG LEU 74 HG LEU 74 3.802 -1.558 -5.351 542 1HD1 LEU 74 2HD1 LEU 74 4.506 -4.508 -5.439 543 2HD1 LEU 74 1HD1 LEU 74 5.312 -3.254 -6.380 544 3HD1 LEU 74 3HD1 LEU 74 5.420 -3.241 -4.620 545 1HD2 LEU 74 1HD2 LEU 74 2.262 -3.854 -6.596 546 2HD2 LEU 74 3HD2 LEU 74 1.851 -2.140 -6.660 547 3HD2 LEU 74 2HD2 LEU 74 3.269 -2.740 -7.520 548 H LEU 75 H LEU 75 0.915 -2.001 -2.037 549 HA LEU 75 HA LEU 75 0.203 0.583 -2.911 550 1HB LEU 75 2HB LEU 75 -1.451 -1.103 -2.191 551 2HB LEU 75 1HB LEU 75 -0.857 -0.981 -0.538 552 HG LEU 75 HG LEU 75 -1.373 1.633 -1.003 553 1HD1 LEU 75 1HD1 LEU 75 -2.233 0.771 -3.334 554 2HD1 LEU 75 3HD1 LEU 75 -3.674 0.338 -2.413 555 3HD1 LEU 75 2HD1 LEU 75 -3.131 2.016 -2.464 556 1HD2 LEU 75 3HD2 LEU 75 -2.230 0.211 0.847 557 2HD2 LEU 75 2HD2 LEU 75 -3.478 1.275 0.197 558 3HD2 LEU 75 1HD2 LEU 75 -3.458 -0.433 -0.243 559 H ASP 76 H ASP 76 1.414 -0.550 0.228 560 HA ASP 76 HA ASP 76 1.391 1.990 1.480 561 1HB ASP 76 2HB ASP 76 2.891 -0.559 2.063 562 2HB ASP 76 1HB ASP 76 3.084 0.889 3.051 563 H LEU 77 H LEU 77 3.513 0.668 -0.886 564 HA LEU 77 HA LEU 77 5.835 2.214 -0.141 565 1HB LEU 77 2HB LEU 77 5.107 0.539 -2.534 566 2HB LEU 77 1HB LEU 77 6.563 1.535 -2.521 567 HG LEU 77 HG LEU 77 5.983 -0.293 -0.216 568 1HD1 LEU 77 3HD1 LEU 77 6.880 -1.034 -2.972 569 2HD1 LEU 77 2HD1 LEU 77 7.647 -1.840 -1.604 570 3HD1 LEU 77 1HD1 LEU 77 5.902 -1.954 -1.829 571 1HD2 LEU 77 2HD2 LEU 77 7.817 1.452 -0.198 572 2HD2 LEU 77 1HD2 LEU 77 8.378 -0.198 0.068 573 3HD2 LEU 77 3HD2 LEU 77 8.586 0.561 -1.511 574 H ILE 78 H ILE 78 3.892 2.249 -3.119 575 HA ILE 78 HA ILE 78 4.770 4.771 -4.013 576 HB ILE 78 HB ILE 78 2.106 3.446 -4.590 577 1HG1 ILE 78 2HG1 ILE 78 3.988 1.926 -5.064 578 2HG1 ILE 78 1HG1 ILE 78 3.262 2.491 -6.563 579 1HG2 ILE 78 2HG2 ILE 78 3.709 5.589 -6.007 580 2HG2 ILE 78 1HG2 ILE 78 2.379 4.716 -6.768 581 3HG2 ILE 78 3HG2 ILE 78 2.077 5.724 -5.352 582 1HD1 ILE 78 1HD1 ILE 78 5.171 4.415 -6.128 583 2HD1 ILE 78 3HD1 ILE 78 5.964 2.978 -5.485 584 3HD1 ILE 78 2HD1 ILE 78 5.398 3.000 -7.155 585 H ASN 79 H ASN 79 2.037 3.828 -2.041 586 HA ASN 79 HA ASN 79 0.792 6.378 -1.876 587 1HB ASN 79 2HB ASN 79 -0.218 4.074 -1.348 588 2HB ASN 79 1HB ASN 79 0.583 4.219 0.216 589 1HD2 ASN 79 2HD2 ASN 79 -2.897 5.711 0.340 590 2HD2 ASN 79 1HD2 ASN 79 -2.324 4.211 -0.209 591 H GLY 80 H GLY 80 3.349 4.794 -0.083 592 1HA GLY 80 2HA GLY 80 3.328 6.484 2.204 593 2HA GLY 80 1HA GLY 80 4.679 5.489 1.669 594 H ALA 81 H ALA 81 5.034 6.621 -0.896 595 HA ALA 81 HA ALA 81 6.663 8.865 -0.234 596 1HB ALA 81 1HB ALA 81 5.967 7.384 -2.718 597 2HB ALA 81 3HB ALA 81 6.594 9.022 -2.904 598 3HB ALA 81 2HB ALA 81 7.549 7.802 -2.062 599 H LEU 82 H LEU 82 3.643 8.535 -2.092 600 HA LEU 82 HA LEU 82 3.311 11.256 -2.720 601 1HB LEU 82 2HB LEU 82 1.474 8.905 -2.539 602 2HB LEU 82 1HB LEU 82 0.775 10.518 -2.683 603 HG LEU 82 HG LEU 82 2.997 9.668 -4.525 604 1HD1 LEU 82 2HD1 LEU 82 0.984 8.006 -4.448 605 2HD1 LEU 82 1HD1 LEU 82 0.095 9.306 -5.243 606 3HD1 LEU 82 3HD1 LEU 82 1.521 8.612 -6.016 607 1HD2 LEU 82 1HD2 LEU 82 1.788 12.050 -4.172 608 2HD2 LEU 82 3HD2 LEU 82 2.362 11.512 -5.750 609 3HD2 LEU 82 2HD2 LEU 82 0.660 11.337 -5.326 610 H ALA 83 H ALA 83 2.628 9.449 0.194 611 HA ALA 83 HA ALA 83 0.868 11.301 1.423 612 1HB ALA 83 1HB ALA 83 2.607 9.069 2.401 613 2HB ALA 83 3HB ALA 83 1.905 10.185 3.573 614 3HB ALA 83 2HB ALA 83 0.856 9.253 2.506 615 H GLU 84 H GLU 84 4.387 10.927 1.462 616 HA GLU 84 HA GLU 84 4.621 13.426 3.013 617 1HB GLU 84 2HB GLU 84 6.454 11.091 2.555 618 2HB GLU 84 1HB GLU 84 7.118 12.657 3.025 619 1HG GLU 84 2HG GLU 84 6.718 11.447 5.059 620 2HG GLU 84 1HG GLU 84 5.447 12.664 4.940 621 H ALA 85 H ALA 85 3.836 13.511 0.270 622 HA ALA 85 HA ALA 85 6.253 14.502 -1.096 623 1HB ALA 85 3HB ALA 85 4.444 12.846 -2.118 624 2HB ALA 85 2HB ALA 85 3.603 14.357 -2.464 625 3HB ALA 85 1HB ALA 85 5.220 14.078 -3.112 626 H ALA 86 HN ALA 86 5.037 15.978 1.061 627 HA ALA 86 HA ALA 86 3.470 18.121 -0.073 628 1HB ALA 86 2HB ALA 86 4.782 17.702 2.613 629 2HB ALA 86 1HB ALA 86 3.963 19.205 2.191 630 3HB ALA 86 3HB ALA 86 3.061 17.690 2.226 No H/Q in entry = 630 Start of MODEL 12 1 1H MET 1 1H MET 1 -12.962 9.160 7.212 2 2H MET 1 3H MET 1 -12.369 9.418 8.781 3 3H MET 1 2H MET 1 -11.883 10.438 7.511 4 HA MET 1 HA MET 1 -10.063 9.060 7.737 5 1HB MET 1 2HB MET 1 -11.659 7.501 9.224 6 2HB MET 1 1HB MET 1 -11.658 6.537 7.747 7 1HG MET 1 2HG MET 1 -9.052 7.579 8.808 8 2HG MET 1 1HG MET 1 -9.782 6.164 9.567 9 1HE MET 1 1HE MET 1 -8.114 4.671 9.214 10 2HE MET 1 3HE MET 1 -9.456 3.709 8.581 11 3HE MET 1 2HE MET 1 -7.899 3.702 7.758 12 H ALA 2 H ALA 2 -9.615 9.625 5.640 13 HA ALA 2 HA ALA 2 -10.347 7.650 3.598 14 1HB ALA 2 3HB ALA 2 -10.756 10.632 3.265 15 2HB ALA 2 2HB ALA 2 -10.877 9.443 1.968 16 3HB ALA 2 1HB ALA 2 -12.020 9.402 3.309 17 H THR 3 H THR 3 -8.691 7.174 2.289 18 HA THR 3 HA THR 3 -6.328 8.960 2.345 19 HB THR 3 HB THR 3 -5.998 6.057 1.761 20 HG1 THR 3 HG1 THR 3 -6.475 5.461 3.711 21 1HG2 THR 3 1HG2 THR 3 -4.430 8.360 2.801 22 2HG2 THR 3 3HG2 THR 3 -4.014 6.768 3.433 23 3HG2 THR 3 2HG2 THR 3 -3.943 7.072 1.698 24 H LEU 4 H LEU 4 -4.906 8.706 0.425 25 HA LEU 4 HA LEU 4 -6.513 8.834 -1.984 26 1HB LEU 4 2HB LEU 4 -3.810 9.659 -1.163 27 2HB LEU 4 1HB LEU 4 -3.892 9.048 -2.813 28 HG LEU 4 HG LEU 4 -4.277 11.484 -2.749 29 1HD1 LEU 4 2HD1 LEU 4 -5.598 9.747 -4.261 30 2HD1 LEU 4 1HD1 LEU 4 -6.980 10.342 -3.341 31 3HD1 LEU 4 3HD1 LEU 4 -6.004 11.463 -4.290 32 1HD2 LEU 4 2HD2 LEU 4 -5.253 11.598 -0.476 33 2HD2 LEU 4 1HD2 LEU 4 -6.302 12.377 -1.660 34 3HD2 LEU 4 3HD2 LEU 4 -6.696 10.767 -1.058 35 H LEU 5 H LEU 5 -3.525 7.070 -1.135 36 HA LEU 5 HA LEU 5 -4.121 5.079 -3.192 37 1HB LEU 5 2HB LEU 5 -1.736 5.955 -1.706 38 2HB LEU 5 1HB LEU 5 -1.836 4.210 -1.932 39 HG LEU 5 HG LEU 5 -0.636 5.356 -3.799 40 1HD1 LEU 5 1HD1 LEU 5 -2.163 3.243 -3.996 41 2HD1 LEU 5 3HD1 LEU 5 -3.238 4.318 -4.890 42 3HD1 LEU 5 2HD1 LEU 5 -1.596 4.031 -5.469 43 1HD2 LEU 5 3HD2 LEU 5 -2.459 7.337 -3.558 44 2HD2 LEU 5 2HD2 LEU 5 -1.570 7.045 -5.053 45 3HD2 LEU 5 1HD2 LEU 5 -3.208 6.420 -4.864 46 H THR 6 H THR 6 -6.026 4.299 -2.097 47 HA THR 6 HA THR 6 -5.587 2.811 0.388 48 HB THR 6 HB THR 6 -8.093 2.299 0.060 49 HG1 THR 6 HG1 THR 6 -8.703 2.895 -1.860 50 1HG2 THR 6 1HG2 THR 6 -6.808 4.237 1.401 51 2HG2 THR 6 3HG2 THR 6 -7.707 5.243 0.266 52 3HG2 THR 6 2HG2 THR 6 -8.568 4.142 1.342 53 H THR 7 H THR 7 -6.745 0.619 0.454 54 HA THR 7 HA THR 7 -5.383 -1.213 -1.165 55 HB THR 7 HB THR 7 -8.016 -1.681 0.255 56 HG1 THR 7 HG1 THR 7 -6.539 -2.396 1.935 57 1HG2 THR 7 3HG2 THR 7 -5.756 -3.531 -0.553 58 2HG2 THR 7 2HG2 THR 7 -7.161 -4.004 0.403 59 3HG2 THR 7 1HG2 THR 7 -7.368 -3.484 -1.269 60 H ASP 8 H ASP 8 -8.651 0.121 -1.448 61 HA ASP 8 HA ASP 8 -9.543 -1.460 -3.602 62 1HB ASP 8 2HB ASP 8 -10.883 0.202 -2.148 63 2HB ASP 8 1HB ASP 8 -10.309 1.434 -3.274 64 H ASP 9 H ASP 9 -7.536 1.407 -3.460 65 HA ASP 9 HA ASP 9 -7.594 2.092 -6.207 66 1HB ASP 9 2HB ASP 9 -6.639 3.402 -4.139 67 2HB ASP 9 1HB ASP 9 -5.149 2.545 -4.536 68 H LEU 10 H LEU 10 -5.119 0.301 -4.328 69 HA LEU 10 HA LEU 10 -3.518 -0.378 -6.530 70 1HB LEU 10 2HB LEU 10 -2.303 -1.739 -5.091 71 2HB LEU 10 1HB LEU 10 -3.066 -0.632 -3.958 72 HG LEU 10 HG LEU 10 -4.965 -2.544 -4.011 73 1HD1 LEU 10 2HD1 LEU 10 -3.201 -3.729 -5.637 74 2HD1 LEU 10 1HD1 LEU 10 -2.548 -4.283 -4.096 75 3HD1 LEU 10 3HD1 LEU 10 -4.217 -4.654 -4.531 76 1HD2 LEU 10 3HD2 LEU 10 -3.612 -1.642 -2.055 77 2HD2 LEU 10 2HD2 LEU 10 -4.059 -3.345 -1.934 78 3HD2 LEU 10 1HD2 LEU 10 -2.421 -2.894 -2.409 79 H ARG 11 H ARG 11 -6.497 -1.751 -5.383 80 HA ARG 11 HA ARG 11 -6.360 -4.267 -6.673 81 1HB ARG 11 2HB ARG 11 -8.119 -3.127 -4.950 82 2HB ARG 11 1HB ARG 11 -9.018 -2.975 -6.458 83 1HG ARG 11 2HG ARG 11 -8.205 -5.508 -6.752 84 2HG ARG 11 1HG ARG 11 -8.179 -5.435 -4.990 85 1HD ARG 11 2HD ARG 11 -10.531 -4.825 -6.798 86 2HD ARG 11 1HD ARG 11 -10.374 -6.188 -5.695 87 HE ARG 11 HE ARG 11 -10.107 -3.941 -4.108 88 1HH1 ARG 11 1HH2 ARG 11 -12.044 -2.789 -6.179 89 2HH1 ARG 11 2HH2 ARG 11 -13.574 -3.140 -5.447 90 1HH2 ARG 11 2HH1 ARG 11 -12.274 -5.445 -3.206 91 2HH2 ARG 11 1HH1 ARG 11 -13.705 -4.643 -3.765 92 H ARG 12 H ARG 12 -7.875 -1.195 -7.643 93 HA ARG 12 HA ARG 12 -8.823 -2.033 -10.152 94 1HB ARG 12 2HB ARG 12 -7.984 0.686 -9.138 95 2HB ARG 12 1HB ARG 12 -8.678 0.437 -10.740 96 1HG ARG 12 2HG ARG 12 -10.605 -0.766 -9.556 97 2HG ARG 12 1HG ARG 12 -9.963 -0.095 -8.056 98 1HD ARG 12 2HD ARG 12 -9.991 2.160 -9.460 99 2HD ARG 12 1HD ARG 12 -11.231 1.309 -10.374 100 HE ARG 12 HE ARG 12 -11.431 1.666 -7.438 101 1HH1 ARG 12 1HH2 ARG 12 -12.454 3.149 -10.243 102 2HH1 ARG 12 2HH2 ARG 12 -14.152 3.016 -9.932 103 1HH2 ARG 12 2HH1 ARG 12 -13.757 0.916 -7.202 104 2HH2 ARG 12 1HH1 ARG 12 -14.890 1.752 -8.210 105 H ALA 13 H ALA 13 -5.664 -0.872 -9.131 106 HA ALA 13 HA ALA 13 -4.589 -0.559 -11.765 107 1HB ALA 13 2HB ALA 13 -3.683 0.457 -9.595 108 2HB ALA 13 1HB ALA 13 -2.976 -1.129 -9.280 109 3HB ALA 13 3HB ALA 13 -2.493 -0.218 -10.710 110 H LEU 14 H LEU 14 -4.905 -3.226 -9.526 111 HA LEU 14 HA LEU 14 -3.102 -4.944 -11.020 112 1HB LEU 14 2HB LEU 14 -4.684 -5.171 -8.507 113 2HB LEU 14 1HB LEU 14 -4.282 -6.663 -9.358 114 HG LEU 14 HG LEU 14 -2.115 -4.640 -8.969 115 1HD1 LEU 14 3HD1 LEU 14 -3.587 -5.317 -6.774 116 2HD1 LEU 14 2HD1 LEU 14 -2.412 -6.632 -6.795 117 3HD1 LEU 14 1HD1 LEU 14 -1.861 -4.958 -6.723 118 1HD2 LEU 14 1HD2 LEU 14 -2.105 -6.991 -10.193 119 2HD2 LEU 14 3HD2 LEU 14 -0.720 -6.485 -9.223 120 3HD2 LEU 14 2HD2 LEU 14 -1.907 -7.603 -8.551 121 H VAL 15 H VAL 15 -6.418 -4.077 -11.185 122 HA VAL 15 HA VAL 15 -7.381 -6.568 -12.275 123 HB VAL 15 HB VAL 15 -8.637 -3.813 -12.396 124 1HG1 VAL 15 1HG1 VAL 15 -9.371 -6.031 -13.793 125 2HG1 VAL 15 3HG1 VAL 15 -10.275 -6.283 -12.300 126 3HG1 VAL 15 2HG1 VAL 15 -10.513 -4.808 -13.237 127 1HG2 VAL 15 1HG2 VAL 15 -8.110 -5.468 -10.135 128 2HG2 VAL 15 3HG2 VAL 15 -9.102 -4.013 -10.199 129 3HG2 VAL 15 2HG2 VAL 15 -9.837 -5.592 -10.466 130 H GLU 16 H GLU 16 -6.201 -3.495 -13.517 131 HA GLU 16 HA GLU 16 -6.963 -3.789 -16.209 132 1HB GLU 16 2HB GLU 16 -4.792 -2.254 -14.817 133 2HB GLU 16 1HB GLU 16 -4.839 -2.313 -16.579 134 1HG GLU 16 2HG GLU 16 -7.268 -1.577 -14.937 135 2HG GLU 16 1HG GLU 16 -6.097 -0.371 -15.471 136 H CYS 17 H CYS 17 -3.972 -4.737 -14.536 137 HA CYS 17 HA CYS 17 -2.971 -6.034 -16.954 138 1HB CYS 17 2HB CYS 17 -1.810 -5.537 -14.222 139 2HB CYS 17 1HB CYS 17 -1.030 -6.617 -15.376 140 HG CYS 17 HG CYS 17 -1.648 -3.979 -16.708 141 H ALA 18 H ALA 18 -4.807 -6.906 -14.189 142 HA ALA 18 HA ALA 18 -3.952 -9.537 -13.726 143 1HB ALA 18 3HB ALA 18 -6.513 -8.059 -13.295 144 2HB ALA 18 2HB ALA 18 -6.512 -9.815 -13.129 145 3HB ALA 18 1HB ALA 18 -5.452 -8.832 -12.119 146 H GLY 19 H GLY 19 -6.982 -8.724 -15.408 147 1HA GLY 19 2HA GLY 19 -6.922 -9.628 -17.854 148 2HA GLY 19 1HA GLY 19 -6.673 -11.164 -17.027 149 H GLU 20 H GLU 20 -8.366 -12.136 -15.928 150 HA GLU 20 HA GLU 20 -11.000 -11.433 -16.821 151 1HB GLU 20 2HB GLU 20 -9.991 -13.504 -14.860 152 2HB GLU 20 1HB GLU 20 -11.700 -13.300 -15.249 153 1HG GLU 20 2HG GLU 20 -11.443 -14.071 -17.415 154 2HG GLU 20 1HG GLU 20 -9.761 -13.545 -17.513 155 H THR 21 H THR 21 -10.144 -12.110 -13.443 156 HA THR 21 HA THR 21 -11.055 -11.254 -11.497 157 HB THR 21 HB THR 21 -9.087 -9.958 -11.582 158 HG1 THR 21 HG1 THR 21 -9.852 -7.916 -10.793 159 1HG2 THR 21 2HG2 THR 21 -10.517 -8.209 -13.596 160 2HG2 THR 21 1HG2 THR 21 -8.926 -7.876 -12.913 161 3HG2 THR 21 3HG2 THR 21 -9.167 -9.295 -13.927 162 H ASP 22 H ASP 22 -13.175 -11.337 -11.296 163 HA ASP 22 HA ASP 22 -14.874 -9.368 -12.656 164 1HB ASP 22 2HB ASP 22 -15.445 -11.851 -12.580 165 2HB ASP 22 1HB ASP 22 -15.796 -11.616 -10.867 166 H GLY 23 H GLY 23 -13.060 -8.669 -10.378 167 1HA GLY 23 2HA GLY 23 -13.252 -7.048 -8.720 168 2HA GLY 23 1HA GLY 23 -15.004 -7.154 -8.859 169 H THR 24 H THR 24 -12.155 -8.810 -7.576 170 HA THR 24 HA THR 24 -11.836 -10.081 -5.694 171 HB THR 24 HB THR 24 -14.530 -9.410 -4.615 172 HG1 THR 24 HG1 THR 24 -12.394 -7.558 -4.786 173 1HG2 THR 24 3HG2 THR 24 -11.702 -9.608 -3.571 174 2HG2 THR 24 2HG2 THR 24 -13.023 -8.960 -2.598 175 3HG2 THR 24 1HG2 THR 24 -13.083 -10.628 -3.165 176 H ASP 25 H ASP 25 -12.026 -12.196 -5.397 177 HA ASP 25 HA ASP 25 -14.584 -13.547 -5.801 178 1HB ASP 25 2HB ASP 25 -13.209 -13.377 -8.029 179 2HB ASP 25 1HB ASP 25 -12.227 -14.646 -7.295 180 H LEU 26 H LEU 26 -12.964 -13.090 -3.501 181 HA LEU 26 HA LEU 26 -12.301 -15.888 -2.835 182 1HB LEU 26 2HB LEU 26 -10.680 -14.107 -1.228 183 2HB LEU 26 1HB LEU 26 -10.178 -15.444 -2.247 184 HG LEU 26 HG LEU 26 -10.525 -13.720 -4.209 185 1HD1 LEU 26 2HD1 LEU 26 -11.532 -12.010 -2.645 186 2HD1 LEU 26 1HD1 LEU 26 -9.951 -11.863 -1.880 187 3HD1 LEU 26 3HD1 LEU 26 -10.156 -11.412 -3.572 188 1HD2 LEU 26 2HD2 LEU 26 -8.366 -14.748 -3.078 189 2HD2 LEU 26 1HD2 LEU 26 -8.220 -13.391 -4.194 190 3HD2 LEU 26 3HD2 LEU 26 -8.169 -13.110 -2.454 191 H SER 27 H SER 27 -12.200 -12.865 -0.973 192 HA SER 27 HA SER 27 -14.595 -13.609 0.502 193 1HB SER 27 2HB SER 27 -13.102 -13.102 2.653 194 2HB SER 27 1HB SER 27 -13.287 -14.732 2.013 195 HG SER 27 HG SER 27 -11.324 -14.594 1.077 196 H GLY 28 H GLY 28 -11.816 -11.548 1.101 197 1HA GLY 28 2HA GLY 28 -12.780 -9.108 0.216 198 2HA GLY 28 1HA GLY 28 -13.384 -9.286 1.862 199 H ASP 29 H ASP 29 -10.313 -10.398 0.485 200 HA ASP 29 HA ASP 29 -8.864 -8.419 2.111 201 1HB ASP 29 2HB ASP 29 -9.161 -10.858 3.155 202 2HB ASP 29 1HB ASP 29 -7.798 -11.202 2.090 203 H PHE 30 H PHE 30 -8.430 -11.176 -0.107 204 HA PHE 30 HA PHE 30 -6.874 -11.566 -1.772 205 1HB PHE 30 2HB PHE 30 -6.920 -9.822 -3.559 206 2HB PHE 30 1HB PHE 30 -8.511 -10.348 -3.020 207 HD1 PHE 30 HD1 PHE 30 -6.035 -7.595 -2.892 208 HD2 PHE 30 HD2 PHE 30 -9.991 -8.877 -1.811 209 HE1 PHE 30 HE1 PHE 30 -6.633 -5.261 -2.321 210 HE2 PHE 30 HE2 PHE 30 -10.589 -6.543 -1.238 211 HZ PHE 30 HZ PHE 30 -8.910 -4.733 -1.490 212 H LEU 31 H LEU 31 -5.703 -10.469 0.638 213 HA LEU 31 HA LEU 31 -3.268 -9.349 -0.586 214 1HB LEU 31 2HB LEU 31 -4.689 -8.285 1.858 215 2HB LEU 31 1HB LEU 31 -3.022 -7.876 1.443 216 HG LEU 31 HG LEU 31 -5.255 -7.552 -0.558 217 1HD1 LEU 31 3HD1 LEU 31 -4.681 -5.929 1.839 218 2HD1 LEU 31 2HD1 LEU 31 -4.754 -5.007 0.337 219 3HD1 LEU 31 1HD1 LEU 31 -6.132 -5.988 0.836 220 1HD2 LEU 31 2HD2 LEU 31 -2.384 -6.826 -0.307 221 2HD2 LEU 31 1HD2 LEU 31 -3.322 -7.232 -1.744 222 3HD2 LEU 31 3HD2 LEU 31 -3.428 -5.614 -1.051 223 H ASP 32 H ASP 32 -4.055 -12.040 0.375 224 HA ASP 32 HA ASP 32 -2.307 -12.396 2.712 225 1HB ASP 32 2HB ASP 32 -4.198 -14.265 1.267 226 2HB ASP 32 1HB ASP 32 -3.114 -14.792 2.554 227 H LEU 33 H LEU 33 -2.674 -13.230 -0.670 228 HA LEU 33 HA LEU 33 0.178 -13.955 -0.790 229 1HB LEU 33 2HB LEU 33 -2.154 -15.637 -1.563 230 2HB LEU 33 1HB LEU 33 -0.777 -15.626 -2.665 231 HG LEU 33 HG LEU 33 -0.497 -16.099 0.311 232 1HD1 LEU 33 2HD1 LEU 33 -1.917 -17.848 -0.794 233 2HD1 LEU 33 1HD1 LEU 33 -0.584 -18.169 -1.904 234 3HD1 LEU 33 3HD1 LEU 33 -0.389 -18.478 -0.178 235 1HD2 LEU 33 3HD2 LEU 33 1.400 -15.382 -1.465 236 2HD2 LEU 33 2HD2 LEU 33 1.728 -16.483 -0.127 237 3HD2 LEU 33 1HD2 LEU 33 1.407 -17.124 -1.738 238 H ARG 34 H ARG 34 -2.606 -13.836 -2.988 239 HA ARG 34 HA ARG 34 -2.927 -12.845 -5.021 240 1HB ARG 34 2HB ARG 34 -3.212 -10.932 -3.481 241 2HB ARG 34 1HB ARG 34 -1.515 -10.529 -3.681 242 1HG ARG 34 2HG ARG 34 -2.237 -9.225 -5.398 243 2HG ARG 34 1HG ARG 34 -2.335 -10.739 -6.296 244 1HD ARG 34 2HD ARG 34 -4.712 -10.817 -5.006 245 2HD ARG 34 1HD ARG 34 -4.507 -9.075 -5.145 246 HE ARG 34 HE ARG 34 -4.012 -9.825 -7.660 247 1HH1 ARG 34 2HH1 ARG 34 -5.567 -12.373 -6.578 248 2HH1 ARG 34 1HH1 ARG 34 -7.121 -12.073 -7.279 249 1HH2 ARG 34 1HH2 ARG 34 -6.417 -8.773 -8.080 250 2HH2 ARG 34 2HH2 ARG 34 -7.603 -10.036 -8.129 251 H PHE 35 H PHE 35 0.100 -11.053 -4.493 252 HA PHE 35 HA PHE 35 1.091 -11.260 -7.027 253 1HB PHE 35 2HB PHE 35 2.394 -10.911 -4.371 254 2HB PHE 35 1HB PHE 35 3.420 -11.204 -5.774 255 HD1 PHE 35 HD2 PHE 35 0.209 -9.303 -5.348 256 HD2 PHE 35 HD1 PHE 35 4.345 -9.175 -6.490 257 HE1 PHE 35 HE2 PHE 35 -0.048 -6.930 -6.007 258 HE2 PHE 35 HE1 PHE 35 4.082 -6.804 -7.153 259 HZ PHE 35 HZ PHE 35 1.895 -5.683 -6.904 260 H GLU 36 H GLU 36 1.767 -13.497 -4.345 261 HA GLU 36 HA GLU 36 3.014 -15.355 -6.260 262 1HB GLU 36 2HB GLU 36 3.188 -14.978 -3.299 263 2HB GLU 36 1HB GLU 36 3.472 -16.587 -3.963 264 1HG GLU 36 2HG GLU 36 4.976 -15.154 -5.676 265 2HG GLU 36 1HG GLU 36 5.085 -14.103 -4.263 266 H ASP 37 H ASP 37 0.609 -15.513 -6.986 267 HA ASP 37 HA ASP 37 -0.401 -18.009 -5.890 268 1HB ASP 37 2HB ASP 37 -1.448 -16.121 -4.532 269 2HB ASP 37 1HB ASP 37 -2.300 -15.669 -6.008 270 H ILE 38 H ILE 38 -1.759 -15.361 -7.886 271 HA ILE 38 HA ILE 38 -2.820 -17.218 -9.789 272 HB ILE 38 HB ILE 38 -3.586 -15.291 -11.020 273 1HG1 ILE 38 2HG1 ILE 38 -1.847 -13.589 -9.198 274 2HG1 ILE 38 1HG1 ILE 38 -1.435 -13.988 -10.865 275 1HG2 ILE 38 1HG2 ILE 38 -4.323 -15.858 -8.479 276 2HG2 ILE 38 3HG2 ILE 38 -3.804 -14.184 -8.273 277 3HG2 ILE 38 2HG2 ILE 38 -5.072 -14.579 -9.435 278 1HD1 ILE 38 2HD1 ILE 38 -4.119 -13.025 -10.871 279 2HD1 ILE 38 1HD1 ILE 38 -3.156 -11.901 -9.912 280 3HD1 ILE 38 3HD1 ILE 38 -2.692 -12.265 -11.574 281 H GLY 39 H GLY 39 0.050 -15.207 -9.629 282 1HA GLY 39 2HA GLY 39 1.942 -16.429 -10.903 283 2HA GLY 39 1HA GLY 39 0.895 -16.155 -12.292 284 H TYR 40 H TYR 40 1.630 -14.051 -9.526 285 HA TYR 40 HA TYR 40 2.434 -11.943 -11.423 286 1HB TYR 40 2HB TYR 40 1.071 -11.960 -8.801 287 2HB TYR 40 1HB TYR 40 2.293 -10.705 -8.981 288 HD1 TYR 40 HD2 TYR 40 2.222 -9.324 -11.197 289 HD2 TYR 40 HD1 TYR 40 -1.081 -11.626 -9.687 290 HE1 TYR 40 HE2 TYR 40 0.660 -7.984 -12.576 291 HE2 TYR 40 HE1 TYR 40 -2.642 -10.273 -11.067 292 HH TYR 40 HH TYR 40 -2.018 -7.419 -12.289 293 H ASP 41 H ASP 41 4.434 -13.496 -11.472 294 HA ASP 41 HA ASP 41 6.242 -13.581 -9.329 295 1HB ASP 41 2HB ASP 41 7.962 -14.108 -11.003 296 2HB ASP 41 1HB ASP 41 6.487 -15.021 -11.306 297 H SER 42 H SER 42 8.509 -12.553 -9.594 298 HA SER 42 HA SER 42 8.140 -9.711 -9.323 299 1HB SER 42 2HB SER 42 10.493 -11.558 -9.047 300 2HB SER 42 1HB SER 42 10.711 -9.811 -9.035 301 HG SER 42 HG SER 42 9.825 -11.427 -7.086 302 H LEU 43 H LEU 43 9.194 -11.830 -11.870 303 HA LEU 43 HA LEU 43 10.586 -9.748 -13.334 304 1HB LEU 43 2HB LEU 43 10.029 -12.644 -13.743 305 2HB LEU 43 1HB LEU 43 10.336 -11.661 -15.176 306 HG LEU 43 HG LEU 43 12.166 -11.321 -12.839 307 1HD1 LEU 43 3HD1 LEU 43 12.197 -13.689 -14.734 308 2HD1 LEU 43 2HD1 LEU 43 13.552 -13.227 -13.704 309 3HD1 LEU 43 1HD1 LEU 43 12.029 -13.743 -12.979 310 1HD2 LEU 43 3HD2 LEU 43 12.383 -9.951 -14.889 311 2HD2 LEU 43 2HD2 LEU 43 13.793 -10.987 -14.667 312 3HD2 LEU 43 1HD2 LEU 43 12.557 -11.420 -15.849 313 H ALA 44 H ALA 44 7.340 -10.976 -13.141 314 HA ALA 44 HA ALA 44 6.587 -9.832 -15.720 315 1HB ALA 44 2HB ALA 44 4.975 -11.276 -13.609 316 2HB ALA 44 1HB ALA 44 4.309 -10.669 -15.125 317 3HB ALA 44 3HB ALA 44 5.539 -11.932 -15.146 318 H LEU 45 H LEU 45 5.663 -9.415 -12.301 319 HA LEU 45 HA LEU 45 4.037 -7.149 -12.773 320 1HB LEU 45 2HB LEU 45 3.866 -6.926 -10.416 321 2HB LEU 45 1HB LEU 45 3.981 -8.651 -10.729 322 HG LEU 45 HG LEU 45 6.593 -8.150 -10.409 323 1HD1 LEU 45 2HD1 LEU 45 5.550 -5.663 -9.865 324 2HD1 LEU 45 1HD1 LEU 45 5.672 -6.364 -8.250 325 3HD1 LEU 45 3HD1 LEU 45 7.105 -6.247 -9.271 326 1HD2 LEU 45 2HD2 LEU 45 4.457 -9.188 -8.793 327 2HD2 LEU 45 1HD2 LEU 45 6.173 -9.586 -8.714 328 3HD2 LEU 45 3HD2 LEU 45 5.533 -8.262 -7.746 329 H MET 46 H MET 46 7.432 -7.454 -12.803 330 HA MET 46 HA MET 46 8.276 -5.001 -11.737 331 1HB MET 46 2HB MET 46 9.592 -7.090 -12.778 332 2HB MET 46 1HB MET 46 9.652 -6.014 -14.171 333 1HG MET 46 2HG MET 46 10.382 -5.027 -11.416 334 2HG MET 46 1HG MET 46 11.568 -5.844 -12.433 335 1HE MET 46 2HE MET 46 12.399 -5.232 -14.501 336 2HE MET 46 1HE MET 46 12.654 -3.565 -15.011 337 3HE MET 46 3HE MET 46 13.291 -4.128 -13.459 338 H GLU 47 H GLU 47 7.618 -5.836 -15.147 339 HA GLU 47 HA GLU 47 7.932 -3.249 -16.196 340 1HB GLU 47 2HB GLU 47 7.534 -5.627 -17.344 341 2HB GLU 47 1HB GLU 47 5.876 -5.030 -17.411 342 1HG GLU 47 2HG GLU 47 6.726 -4.180 -19.403 343 2HG GLU 47 1HG GLU 47 7.029 -2.830 -18.309 344 H THR 48 H THR 48 5.219 -4.794 -14.611 345 HA THR 48 HA THR 48 3.170 -3.010 -15.364 346 HB THR 48 HB THR 48 3.435 -4.452 -12.714 347 HG1 THR 48 HG1 THR 48 3.621 -5.953 -14.322 348 1HG2 THR 48 1HG2 THR 48 1.070 -3.397 -14.288 349 2HG2 THR 48 3HG2 THR 48 0.936 -4.417 -12.856 350 3HG2 THR 48 2HG2 THR 48 1.647 -2.808 -12.729 351 H ALA 49 H ALA 49 5.459 -2.964 -12.664 352 HA ALA 49 HA ALA 49 4.436 -0.593 -11.453 353 1HB ALA 49 3HB ALA 49 7.085 -2.027 -11.234 354 2HB ALA 49 2HB ALA 49 6.721 -0.557 -10.330 355 3HB ALA 49 1HB ALA 49 5.759 -2.012 -10.071 356 H ALA 50 H ALA 50 6.731 -1.242 -14.013 357 HA ALA 50 HA ALA 50 8.056 1.247 -14.077 358 1HB ALA 50 2HB ALA 50 8.671 -0.872 -15.359 359 2HB ALA 50 1HB ALA 50 7.419 -0.416 -16.514 360 3HB ALA 50 3HB ALA 50 8.804 0.644 -16.251 361 H ARG 51 H ARG 51 5.085 0.107 -15.634 362 HA ARG 51 HA ARG 51 4.621 2.560 -17.061 363 1HB ARG 51 2HB ARG 51 2.678 0.339 -16.378 364 2HB ARG 51 1HB ARG 51 2.428 1.608 -17.577 365 1HG ARG 51 2HG ARG 51 4.864 -0.146 -17.744 366 2HG ARG 51 1HG ARG 51 3.319 -0.730 -18.361 367 1HD ARG 51 2HD ARG 51 3.131 1.205 -19.831 368 2HD ARG 51 1HD ARG 51 4.605 1.894 -19.160 369 HE ARG 51 HE ARG 51 5.794 0.524 -20.595 370 1HH1 ARG 51 2HH1 ARG 51 5.563 -2.135 -20.024 371 2HH1 ARG 51 1HH1 ARG 51 4.464 -2.834 -21.166 372 1HH2 ARG 51 1HH2 ARG 51 3.089 0.207 -22.105 373 2HH2 ARG 51 2HH2 ARG 51 3.063 -1.509 -22.343 374 H LEU 52 H LEU 52 3.695 1.231 -13.953 375 HA LEU 52 HA LEU 52 1.643 3.098 -13.337 376 1HB LEU 52 2HB LEU 52 2.424 0.829 -12.163 377 2HB LEU 52 1HB LEU 52 3.307 1.966 -11.143 378 HG LEU 52 HG LEU 52 1.018 3.253 -11.074 379 1HD1 LEU 52 1HD1 LEU 52 -0.044 1.773 -12.777 380 2HD1 LEU 52 3HD1 LEU 52 0.120 0.415 -11.663 381 3HD1 LEU 52 2HD1 LEU 52 -0.923 1.776 -11.248 382 1HD2 LEU 52 2HD2 LEU 52 2.252 1.983 -9.211 383 2HD2 LEU 52 1HD2 LEU 52 0.506 2.153 -9.019 384 3HD2 LEU 52 3HD2 LEU 52 1.187 0.626 -9.581 385 H GLU 53 H GLU 53 5.120 3.241 -13.196 386 HA GLU 53 HA GLU 53 5.447 5.304 -11.311 387 1HB GLU 53 2HB GLU 53 7.087 4.211 -13.551 388 2HB GLU 53 1HB GLU 53 7.558 5.756 -12.843 389 1HG GLU 53 2HG GLU 53 8.087 4.824 -10.807 390 2HG GLU 53 1HG GLU 53 6.878 3.547 -10.959 391 H SER 54 H SER 54 4.139 5.405 -14.499 392 HA SER 54 HA SER 54 4.743 8.244 -14.849 393 1HB SER 54 2HB SER 54 3.189 6.316 -16.588 394 2HB SER 54 1HB SER 54 3.551 7.989 -17.003 395 HG SER 54 HG SER 54 5.690 7.499 -17.095 396 H ARG 55 H ARG 55 2.080 6.151 -13.953 397 HA ARG 55 HA ARG 55 0.017 8.123 -14.237 398 1HB ARG 55 2HB ARG 55 -0.135 5.790 -12.336 399 2HB ARG 55 1HB ARG 55 -1.441 6.578 -13.216 400 1HG ARG 55 2HG ARG 55 0.086 5.768 -15.298 401 2HG ARG 55 1HG ARG 55 0.481 4.509 -14.126 402 1HD ARG 55 2HD ARG 55 -1.432 3.730 -15.344 403 2HD ARG 55 1HD ARG 55 -2.007 4.219 -13.754 404 HE ARG 55 HE ARG 55 -2.745 6.341 -14.861 405 1HH1 ARG 55 2HH1 ARG 55 -1.428 5.690 -17.540 406 2HH1 ARG 55 1HH1 ARG 55 -2.789 5.169 -18.476 407 1HH2 ARG 55 1HH2 ARG 55 -4.843 4.708 -15.719 408 2HH2 ARG 55 2HH2 ARG 55 -4.722 4.612 -17.445 409 H TYR 56 H TYR 56 2.105 7.060 -11.610 410 HA TYR 56 HA TYR 56 0.855 8.991 -9.782 411 1HB TYR 56 2HB TYR 56 2.917 6.829 -9.294 412 2HB TYR 56 1HB TYR 56 2.274 7.903 -8.052 413 HD1 TYR 56 HD1 TYR 56 1.060 5.602 -10.772 414 HD2 TYR 56 HD2 TYR 56 0.414 7.197 -6.830 415 HE1 TYR 56 HE1 TYR 56 -0.902 4.114 -10.488 416 HE2 TYR 56 HE2 TYR 56 -1.547 5.707 -6.553 417 HH TYR 56 HH TYR 56 -2.382 3.576 -7.479 418 H GLY 57 H GLY 57 3.818 8.338 -11.526 419 1HA GLY 57 2HA GLY 57 5.703 9.611 -11.899 420 2HA GLY 57 1HA GLY 57 4.707 11.003 -11.494 421 H VAL 58 H VAL 58 5.176 8.398 -9.217 422 HA VAL 58 HA VAL 58 6.669 10.243 -7.487 423 HB VAL 58 HB VAL 58 4.548 9.368 -6.600 424 1HG1 VAL 58 2HG1 VAL 58 5.343 6.978 -7.841 425 2HG1 VAL 58 1HG1 VAL 58 5.432 6.639 -6.115 426 3HG1 VAL 58 3HG1 VAL 58 3.923 7.214 -6.823 427 1HG2 VAL 58 3HG2 VAL 58 6.675 9.758 -5.191 428 2HG2 VAL 58 2HG2 VAL 58 5.366 8.827 -4.462 429 3HG2 VAL 58 1HG2 VAL 58 6.779 8.000 -5.119 430 H SER 59 H SER 59 8.374 9.335 -6.150 431 HA SER 59 HA SER 59 10.151 7.666 -7.709 432 1HB SER 59 2HB SER 59 10.846 9.656 -6.251 433 2HB SER 59 1HB SER 59 10.614 8.583 -4.873 434 HG SER 59 HG SER 59 12.163 7.214 -5.716 435 H ILE 60 H ILE 60 10.707 5.579 -7.354 436 HA ILE 60 HA ILE 60 9.598 4.216 -4.986 437 HB ILE 60 HB ILE 60 9.431 3.105 -7.799 438 1HG1 ILE 60 2HG1 ILE 60 7.152 4.091 -6.063 439 2HG1 ILE 60 1HG1 ILE 60 7.918 5.100 -7.292 440 1HG2 ILE 60 1HG2 ILE 60 8.272 2.170 -5.155 441 2HG2 ILE 60 3HG2 ILE 60 8.006 1.402 -6.720 442 3HG2 ILE 60 2HG2 ILE 60 9.620 1.418 -6.009 443 1HD1 ILE 60 2HD1 ILE 60 6.643 2.397 -7.805 444 2HD1 ILE 60 1HD1 ILE 60 5.905 3.955 -8.177 445 3HD1 ILE 60 3HD1 ILE 60 7.366 3.447 -9.022 446 HA PRO 61 HA PRO 61 13.730 2.528 -5.122 447 1HB PRO 61 2HB PRO 61 13.490 0.731 -3.079 448 2HB PRO 61 1HB PRO 61 13.658 2.476 -2.837 449 1HG PRO 61 2HG PRO 61 11.274 0.759 -2.510 450 2HG PRO 61 1HG PRO 61 11.656 2.313 -1.756 451 1HD PRO 61 2HD PRO 61 9.891 1.872 -3.946 452 2HD PRO 61 1HD PRO 61 10.442 3.443 -3.321 453 H ASP 62 H ASP 62 14.428 1.158 -6.651 454 HA ASP 62 HA ASP 62 12.913 -0.951 -7.746 455 1HB ASP 62 2HB ASP 62 15.740 -0.037 -7.977 456 2HB ASP 62 1HB ASP 62 15.340 -1.651 -8.565 457 H ASP 63 H ASP 63 14.826 -0.848 -4.882 458 HA ASP 63 HA ASP 63 15.691 -3.535 -4.784 459 1HB ASP 63 2HB ASP 63 15.147 -1.492 -2.631 460 2HB ASP 63 1HB ASP 63 15.724 -3.118 -2.263 461 H VAL 64 H VAL 64 13.243 -2.254 -2.548 462 HA VAL 64 HA VAL 64 12.026 -4.803 -2.210 463 HB VAL 64 HB VAL 64 11.975 -3.048 -0.475 464 1HG1 VAL 64 1HG1 VAL 64 11.563 -1.199 -2.224 465 2HG1 VAL 64 3HG1 VAL 64 9.861 -1.648 -2.105 466 3HG1 VAL 64 2HG1 VAL 64 10.719 -1.059 -0.681 467 1HG2 VAL 64 1HG2 VAL 64 9.261 -3.936 -1.499 468 2HG2 VAL 64 3HG2 VAL 64 10.297 -4.816 -0.375 469 3HG2 VAL 64 2HG2 VAL 64 9.558 -3.292 0.115 470 H ALA 65 H ALA 65 11.107 -1.912 -4.041 471 HA ALA 65 HA ALA 65 8.606 -2.833 -4.959 472 1HB ALA 65 2HB ALA 65 9.806 -0.471 -5.151 473 2HB ALA 65 1HB ALA 65 10.274 -1.104 -6.729 474 3HB ALA 65 3HB ALA 65 8.568 -0.966 -6.305 475 H GLY 66 H GLY 66 11.877 -3.433 -6.061 476 1HA GLY 66 2HA GLY 66 11.109 -4.556 -8.598 477 2HA GLY 66 1HA GLY 66 12.702 -4.650 -7.856 478 H ARG 67 H ARG 67 11.660 -5.776 -5.353 479 HA ARG 67 HA ARG 67 11.012 -8.498 -6.326 480 1HB ARG 67 2HB ARG 67 13.331 -8.169 -5.344 481 2HB ARG 67 1HB ARG 67 12.538 -7.863 -3.798 482 1HG ARG 67 2HG ARG 67 11.879 -10.047 -3.544 483 2HG ARG 67 1HG ARG 67 11.672 -10.295 -5.279 484 1HD ARG 67 2HD ARG 67 13.574 -11.577 -4.817 485 2HD ARG 67 1HD ARG 67 14.267 -10.059 -5.376 486 HE ARG 67 HE ARG 67 14.515 -11.170 -2.745 487 1HH1 ARG 67 2HH1 ARG 67 15.938 -8.920 -4.605 488 2HH1 ARG 67 1HH1 ARG 67 16.044 -7.658 -3.423 489 1HH2 ARG 67 1HH2 ARG 67 13.926 -9.229 -1.171 490 2HH2 ARG 67 2HH2 ARG 67 14.905 -7.834 -1.478 491 H VAL 68 H VAL 68 9.070 -6.491 -5.632 492 HA VAL 68 HA VAL 68 8.116 -6.871 -2.978 493 HB VAL 68 HB VAL 68 7.458 -4.923 -4.335 494 1HG1 VAL 68 2HG1 VAL 68 7.257 -6.440 -6.457 495 2HG1 VAL 68 1HG1 VAL 68 5.600 -6.682 -5.906 496 3HG1 VAL 68 3HG1 VAL 68 6.174 -5.058 -6.283 497 1HG2 VAL 68 2HG2 VAL 68 5.902 -6.261 -2.567 498 2HG2 VAL 68 1HG2 VAL 68 5.402 -4.756 -3.339 499 3HG2 VAL 68 3HG2 VAL 68 4.851 -6.303 -3.982 500 H ASP 69 H ASP 69 7.777 -8.907 -2.321 501 HA ASP 69 HA ASP 69 6.473 -10.851 -4.057 502 1HB ASP 69 2HB ASP 69 6.779 -12.390 -2.113 503 2HB ASP 69 1HB ASP 69 8.287 -11.662 -2.669 504 H THR 70 H THR 70 5.734 -8.848 -1.279 505 HA THR 70 HA THR 70 3.115 -10.109 -0.938 506 HB THR 70 HB THR 70 2.993 -8.131 0.824 507 HG1 THR 70 HG1 THR 70 5.177 -7.799 1.589 508 1HG2 THR 70 3HG2 THR 70 4.554 -10.706 0.982 509 2HG2 THR 70 2HG2 THR 70 4.331 -9.676 2.397 510 3HG2 THR 70 1HG2 THR 70 2.930 -10.369 1.582 511 HA PRO 71 HA PRO 71 1.099 -6.972 -3.349 512 1HB PRO 71 2HB PRO 71 -1.455 -7.301 -2.445 513 2HB PRO 71 1HB PRO 71 -0.646 -8.452 -3.519 514 1HG PRO 71 2HG PRO 71 -1.277 -8.698 -0.637 515 2HG PRO 71 1HG PRO 71 -1.051 -9.963 -1.852 516 1HD PRO 71 2HD PRO 71 0.840 -9.128 0.100 517 2HD PRO 71 1HD PRO 71 1.137 -10.229 -1.265 518 H ARG 72 H ARG 72 -0.035 -7.067 0.033 519 HA ARG 72 HA ARG 72 -0.970 -4.428 0.207 520 1HB ARG 72 2HB ARG 72 -1.380 -6.275 1.877 521 2HB ARG 72 1HB ARG 72 0.255 -6.002 2.478 522 1HG ARG 72 2HG ARG 72 -0.827 -4.543 3.876 523 2HG ARG 72 1HG ARG 72 -0.646 -3.458 2.500 524 1HD ARG 72 2HD ARG 72 -2.891 -3.232 2.574 525 2HD ARG 72 1HD ARG 72 -2.961 -4.849 1.884 526 HE ARG 72 HE ARG 72 -2.940 -5.572 4.370 527 1HH1 ARG 72 2HH1 ARG 72 -3.344 -3.741 6.216 528 2HH1 ARG 72 1HH1 ARG 72 -4.958 -3.121 6.102 529 1HH2 ARG 72 1HH2 ARG 72 -5.465 -4.296 2.880 530 2HH2 ARG 72 2HH2 ARG 72 -6.159 -3.436 4.214 531 H GLU 73 H GLU 73 2.267 -5.720 0.337 532 HA GLU 73 HA GLU 73 3.543 -3.565 1.659 533 1HB GLU 73 2HB GLU 73 4.545 -5.843 1.172 534 2HB GLU 73 1HB GLU 73 4.782 -5.293 -0.487 535 1HG GLU 73 2HG GLU 73 6.816 -4.676 0.430 536 2HG GLU 73 1HG GLU 73 5.890 -3.205 0.728 537 H LEU 74 H LEU 74 2.746 -4.183 -1.721 538 HA LEU 74 HA LEU 74 4.169 -2.066 -2.900 539 1HB LEU 74 2HB LEU 74 2.603 -4.069 -3.862 540 2HB LEU 74 1HB LEU 74 1.522 -2.692 -4.070 541 HG LEU 74 HG LEU 74 3.577 -1.504 -5.117 542 1HD1 LEU 74 1HD1 LEU 74 4.420 -4.415 -5.189 543 2HD1 LEU 74 3HD1 LEU 74 5.124 -3.172 -6.223 544 3HD1 LEU 74 2HD1 LEU 74 5.302 -3.066 -4.472 545 1HD2 LEU 74 2HD2 LEU 74 1.825 -3.628 -6.267 546 2HD2 LEU 74 1HD2 LEU 74 1.948 -1.921 -6.695 547 3HD2 LEU 74 3HD2 LEU 74 3.162 -3.064 -7.270 548 H LEU 75 H LEU 75 0.829 -2.202 -1.676 549 HA LEU 75 HA LEU 75 0.055 0.413 -2.337 550 1HB LEU 75 2HB LEU 75 -1.512 -1.338 -1.557 551 2HB LEU 75 1HB LEU 75 -0.814 -1.234 0.056 552 HG LEU 75 HG LEU 75 -1.402 1.329 -0.167 553 1HD1 LEU 75 2HD1 LEU 75 -2.189 0.651 -2.641 554 2HD1 LEU 75 1HD1 LEU 75 -3.696 0.332 -1.784 555 3HD1 LEU 75 3HD1 LEU 75 -2.974 1.938 -1.730 556 1HD2 LEU 75 2HD2 LEU 75 -3.354 -0.927 0.335 557 2HD2 LEU 75 1HD2 LEU 75 -2.429 -0.011 1.525 558 3HD2 LEU 75 3HD2 LEU 75 -3.754 0.760 0.655 559 H ASP 76 H ASP 76 1.270 -0.787 0.804 560 HA ASP 76 HA ASP 76 1.396 1.705 2.080 561 1HB ASP 76 2HB ASP 76 2.831 -0.898 2.517 562 2HB ASP 76 1HB ASP 76 3.219 0.522 3.490 563 H LEU 77 H LEU 77 3.468 0.362 -0.346 564 HA LEU 77 HA LEU 77 5.811 1.880 0.318 565 1HB LEU 77 2HB LEU 77 5.476 -0.280 -1.204 566 2HB LEU 77 1HB LEU 77 5.330 0.935 -2.470 567 HG LEU 77 HG LEU 77 7.656 0.213 -2.258 568 1HD1 LEU 77 1HD1 LEU 77 6.938 2.698 -2.631 569 2HD1 LEU 77 3HD1 LEU 77 7.596 2.949 -1.015 570 3HD1 LEU 77 2HD1 LEU 77 8.633 2.337 -2.303 571 1HD2 LEU 77 1HD2 LEU 77 7.046 0.332 0.558 572 2HD2 LEU 77 3HD2 LEU 77 8.470 -0.341 -0.232 573 3HD2 LEU 77 2HD2 LEU 77 8.437 1.361 0.225 574 H ILE 78 H ILE 78 3.730 2.083 -2.568 575 HA ILE 78 HA ILE 78 4.636 4.558 -3.481 576 HB ILE 78 HB ILE 78 1.851 3.406 -3.791 577 1HG1 ILE 78 2HG1 ILE 78 3.589 1.816 -4.513 578 2HG1 ILE 78 1HG1 ILE 78 2.736 2.468 -5.908 579 1HG2 ILE 78 1HG2 ILE 78 3.358 5.627 -5.148 580 2HG2 ILE 78 3HG2 ILE 78 2.135 4.717 -6.036 581 3HG2 ILE 78 2HG2 ILE 78 1.690 5.603 -4.578 582 1HD1 ILE 78 2HD1 ILE 78 4.804 4.277 -5.567 583 2HD1 ILE 78 1HD1 ILE 78 5.561 2.738 -5.155 584 3HD1 ILE 78 3HD1 ILE 78 4.791 2.950 -6.728 585 H ASN 79 H ASN 79 2.092 3.818 -1.176 586 HA ASN 79 HA ASN 79 0.912 6.345 -0.949 587 1HB ASN 79 2HB ASN 79 0.476 3.908 0.202 588 2HB ASN 79 1HB ASN 79 1.135 4.809 1.564 589 1HD2 ASN 79 2HD2 ASN 79 -2.630 5.325 1.121 590 2HD2 ASN 79 1HD2 ASN 79 -1.694 3.910 1.062 591 H GLY 80 H GLY 80 3.644 4.931 0.831 592 1HA GLY 80 2HA GLY 80 4.038 7.149 2.566 593 2HA GLY 80 1HA GLY 80 5.212 5.881 2.233 594 H ALA 81 H ALA 81 5.137 6.400 -0.672 595 HA ALA 81 HA ALA 81 7.269 8.264 -0.812 596 1HB ALA 81 2HB ALA 81 6.830 6.379 -2.435 597 2HB ALA 81 1HB ALA 81 5.540 7.366 -3.120 598 3HB ALA 81 3HB ALA 81 7.210 7.930 -3.180 599 H LEU 82 H LEU 82 4.031 8.504 -2.302 600 HA LEU 82 HA LEU 82 4.243 11.245 -2.930 601 1HB LEU 82 2HB LEU 82 1.779 11.159 -3.225 602 2HB LEU 82 1HB LEU 82 2.609 9.839 -4.047 603 HG LEU 82 HG LEU 82 2.175 8.695 -1.617 604 1HD1 LEU 82 1HD1 LEU 82 0.813 10.951 -1.211 605 2HD1 LEU 82 3HD1 LEU 82 -0.441 10.065 -2.078 606 3HD1 LEU 82 2HD1 LEU 82 0.233 9.407 -0.588 607 1HD2 LEU 82 2HD2 LEU 82 1.581 7.912 -3.981 608 2HD2 LEU 82 1HD2 LEU 82 0.466 7.418 -2.707 609 3HD2 LEU 82 3HD2 LEU 82 0.049 8.760 -3.774 610 H ALA 83 H ALA 83 3.401 9.609 0.022 611 HA ALA 83 HA ALA 83 1.894 11.604 1.304 612 1HB ALA 83 1HB ALA 83 3.700 9.422 2.320 613 2HB ALA 83 3HB ALA 83 2.942 10.563 3.430 614 3HB ALA 83 2HB ALA 83 1.941 9.532 2.408 615 H GLU 84 H GLU 84 5.346 11.229 0.830 616 HA GLU 84 HA GLU 84 6.185 13.214 2.692 617 1HB GLU 84 2HB GLU 84 7.526 11.351 1.318 618 2HB GLU 84 1HB GLU 84 7.795 12.720 0.238 619 1HG GLU 84 2HG GLU 84 8.308 12.820 3.222 620 2HG GLU 84 1HG GLU 84 9.555 12.456 2.028 621 H ALA 85 H ALA 85 5.196 13.275 -0.678 622 HA ALA 85 HA ALA 85 5.735 16.170 -0.813 623 1HB ALA 85 2HB ALA 85 6.423 14.427 -2.649 624 2HB ALA 85 1HB ALA 85 4.733 14.557 -3.134 625 3HB ALA 85 3HB ALA 85 5.762 15.990 -3.130 626 H ALA 86 HN ALA 86 3.563 15.094 0.778 627 HA ALA 86 HA ALA 86 1.151 15.738 -0.755 628 1HB ALA 86 2HB ALA 86 1.482 14.810 2.109 629 2HB ALA 86 1HB ALA 86 -0.058 15.041 1.282 630 3HB ALA 86 3HB ALA 86 1.059 13.791 0.733 No H/Q in entry = 630 Start of MODEL 13 1 1H MET 1 1H MET 1 -6.791 12.301 -8.604 2 2H MET 1 3H MET 1 -8.348 12.881 -8.944 3 3H MET 1 2H MET 1 -7.148 12.917 -10.147 4 HA MET 1 HA MET 1 -5.937 14.598 -9.058 5 1HB MET 1 2HB MET 1 -8.881 14.944 -9.355 6 2HB MET 1 1HB MET 1 -8.009 16.223 -8.509 7 1HG MET 1 2HG MET 1 -6.392 16.290 -10.444 8 2HG MET 1 1HG MET 1 -7.463 15.180 -11.299 9 1HE MET 1 1HE MET 1 -7.300 16.785 -13.088 10 2HE MET 1 3HE MET 1 -9.010 16.337 -13.163 11 3HE MET 1 2HE MET 1 -8.526 18.018 -13.365 12 H ALA 2 H ALA 2 -8.868 14.014 -7.098 13 HA ALA 2 HA ALA 2 -7.271 14.616 -4.682 14 1HB ALA 2 3HB ALA 2 -9.212 16.104 -5.053 15 2HB ALA 2 2HB ALA 2 -10.277 14.698 -5.045 16 3HB ALA 2 1HB ALA 2 -9.393 15.144 -3.584 17 H THR 3 H THR 3 -7.334 12.032 -6.063 18 HA THR 3 HA THR 3 -8.698 10.383 -4.018 19 HB THR 3 HB THR 3 -7.685 9.318 -6.643 20 HG1 THR 3 HG1 THR 3 -9.043 10.943 -7.254 21 1HG2 THR 3 2HG2 THR 3 -8.431 7.830 -4.729 22 2HG2 THR 3 1HG2 THR 3 -10.045 8.510 -4.932 23 3HG2 THR 3 3HG2 THR 3 -9.303 7.592 -6.243 24 H LEU 4 H LEU 4 -7.560 8.854 -2.900 25 HA LEU 4 HA LEU 4 -4.626 9.037 -3.120 26 1HB LEU 4 2HB LEU 4 -6.500 8.338 -0.880 27 2HB LEU 4 1HB LEU 4 -4.825 7.786 -0.837 28 HG LEU 4 HG LEU 4 -5.357 10.658 -1.494 29 1HD1 LEU 4 1HD1 LEU 4 -5.420 9.475 1.300 30 2HD1 LEU 4 3HD1 LEU 4 -5.341 11.198 0.932 31 3HD1 LEU 4 2HD1 LEU 4 -6.765 10.264 0.477 32 1HD2 LEU 4 3HD2 LEU 4 -3.078 9.470 -1.487 33 2HD2 LEU 4 2HD2 LEU 4 -3.187 10.965 -0.556 34 3HD2 LEU 4 1HD2 LEU 4 -3.241 9.406 0.268 35 H LEU 5 H LEU 5 -3.614 6.861 -2.199 36 HA LEU 5 HA LEU 5 -4.476 4.784 -4.075 37 1HB LEU 5 2HB LEU 5 -1.960 5.478 -2.673 38 2HB LEU 5 1HB LEU 5 -2.262 3.755 -2.883 39 HG LEU 5 HG LEU 5 -0.972 4.815 -4.772 40 1HD1 LEU 5 2HD1 LEU 5 -3.538 3.330 -5.063 41 2HD1 LEU 5 1HD1 LEU 5 -2.802 3.965 -6.535 42 3HD1 LEU 5 3HD1 LEU 5 -1.900 2.850 -5.509 43 1HD2 LEU 5 2HD2 LEU 5 -2.807 6.851 -4.559 44 2HD2 LEU 5 1HD2 LEU 5 -1.776 6.582 -5.964 45 3HD2 LEU 5 3HD2 LEU 5 -3.427 5.963 -5.950 46 H THR 6 H THR 6 -6.381 4.179 -2.940 47 HA THR 6 HA THR 6 -6.154 3.095 -0.256 48 HB THR 6 HB THR 6 -8.585 2.365 -0.815 49 HG1 THR 6 HG1 THR 6 -8.223 2.709 -3.099 50 1HG2 THR 6 2HG2 THR 6 -7.759 5.280 -0.742 51 2HG2 THR 6 1HG2 THR 6 -9.383 4.681 -0.401 52 3HG2 THR 6 3HG2 THR 6 -8.041 4.241 0.655 53 H THR 7 H THR 7 -7.187 0.884 0.118 54 HA THR 7 HA THR 7 -5.590 -1.111 -1.068 55 HB THR 7 HB THR 7 -8.246 -1.492 0.337 56 HG1 THR 7 HG1 THR 7 -5.625 -1.477 1.413 57 1HG2 THR 7 3HG2 THR 7 -5.948 -3.274 -0.406 58 2HG2 THR 7 2HG2 THR 7 -6.905 -3.633 1.032 59 3HG2 THR 7 1HG2 THR 7 -7.680 -3.573 -0.552 60 H ASP 8 H ASP 8 -8.912 -0.078 -1.683 61 HA ASP 8 HA ASP 8 -9.603 -2.046 -3.579 62 1HB ASP 8 2HB ASP 8 -11.087 -0.226 -2.453 63 2HB ASP 8 1HB ASP 8 -10.571 0.793 -3.798 64 H ASP 9 H ASP 9 -7.727 0.902 -3.800 65 HA ASP 9 HA ASP 9 -7.698 1.174 -6.621 66 1HB ASP 9 2HB ASP 9 -6.922 2.933 -4.983 67 2HB ASP 9 1HB ASP 9 -5.478 1.957 -4.717 68 H LEU 10 H LEU 10 -5.513 -0.474 -4.340 69 HA LEU 10 HA LEU 10 -3.661 -1.369 -6.269 70 1HB LEU 10 2HB LEU 10 -2.608 -2.415 -4.535 71 2HB LEU 10 1HB LEU 10 -3.698 -1.440 -3.566 72 HG LEU 10 HG LEU 10 -5.291 -3.574 -3.892 73 1HD1 LEU 10 1HD1 LEU 10 -3.195 -4.509 -5.269 74 2HD1 LEU 10 3HD1 LEU 10 -2.673 -4.990 -3.655 75 3HD1 LEU 10 2HD1 LEU 10 -4.209 -5.574 -4.296 76 1HD2 LEU 10 2HD2 LEU 10 -2.972 -3.416 -1.942 77 2HD2 LEU 10 1HD2 LEU 10 -4.556 -2.672 -1.728 78 3HD2 LEU 10 3HD2 LEU 10 -4.402 -4.430 -1.736 79 H ARG 11 H ARG 11 -6.751 -2.615 -5.227 80 HA ARG 11 HA ARG 11 -6.632 -5.205 -6.334 81 1HB ARG 11 2HB ARG 11 -8.452 -4.039 -4.837 82 2HB ARG 11 1HB ARG 11 -9.173 -3.623 -6.388 83 1HG ARG 11 2HG ARG 11 -10.134 -5.722 -5.702 84 2HG ARG 11 1HG ARG 11 -9.017 -6.061 -7.023 85 1HD ARG 11 2HD ARG 11 -7.381 -6.238 -4.805 86 2HD ARG 11 1HD ARG 11 -8.900 -6.899 -4.210 87 HE ARG 11 HE ARG 11 -8.181 -7.991 -6.768 88 1HH1 ARG 11 1HH2 ARG 11 -9.256 -9.174 -4.009 89 2HH1 ARG 11 2HH2 ARG 11 -8.036 -10.372 -3.731 90 1HH2 ARG 11 2HH1 ARG 11 -5.874 -9.107 -6.129 91 2HH2 ARG 11 1HH1 ARG 11 -6.121 -10.334 -4.932 92 H ARG 12 H ARG 12 -8.080 -2.252 -7.685 93 HA ARG 12 HA ARG 12 -8.755 -3.288 -10.195 94 1HB ARG 12 2HB ARG 12 -8.619 -0.674 -8.954 95 2HB ARG 12 1HB ARG 12 -8.068 -0.586 -10.625 96 1HG ARG 12 2HG ARG 12 -10.313 -0.400 -11.041 97 2HG ARG 12 1HG ARG 12 -10.241 -2.161 -10.957 98 1HD ARG 12 2HD ARG 12 -10.774 -2.029 -8.526 99 2HD ARG 12 1HD ARG 12 -10.945 -0.284 -8.684 100 HE ARG 12 HE ARG 12 -12.681 -2.224 -10.110 101 1HH1 ARG 12 1HH2 ARG 12 -13.347 0.248 -11.236 102 2HH1 ARG 12 2HH2 ARG 12 -14.433 1.020 -10.128 103 1HH2 ARG 12 2HH1 ARG 12 -13.561 -1.006 -7.451 104 2HH2 ARG 12 1HH1 ARG 12 -14.554 0.309 -7.985 105 H ALA 13 H ALA 13 -5.690 -2.074 -8.994 106 HA ALA 13 HA ALA 13 -4.419 -1.850 -11.548 107 1HB ALA 13 1HB ALA 13 -3.717 -0.823 -9.257 108 2HB ALA 13 3HB ALA 13 -2.909 -2.371 -9.006 109 3HB ALA 13 2HB ALA 13 -2.464 -1.355 -10.378 110 H LEU 14 H LEU 14 -4.841 -4.430 -9.220 111 HA LEU 14 HA LEU 14 -2.929 -6.183 -10.506 112 1HB LEU 14 2HB LEU 14 -4.775 -6.388 -8.167 113 2HB LEU 14 1HB LEU 14 -4.178 -7.873 -8.908 114 HG LEU 14 HG LEU 14 -2.208 -5.696 -8.341 115 1HD1 LEU 14 2HD1 LEU 14 -3.847 -6.277 -6.311 116 2HD1 LEU 14 1HD1 LEU 14 -2.776 -7.672 -6.173 117 3HD1 LEU 14 3HD1 LEU 14 -2.117 -6.041 -6.060 118 1HD2 LEU 14 2HD2 LEU 14 -2.285 -8.650 -8.719 119 2HD2 LEU 14 1HD2 LEU 14 -1.096 -7.477 -9.282 120 3HD2 LEU 14 3HD2 LEU 14 -1.066 -8.027 -7.607 121 H VAL 15 H VAL 15 -6.309 -5.471 -10.847 122 HA VAL 15 HA VAL 15 -6.988 -8.003 -12.068 123 HB VAL 15 HB VAL 15 -8.549 -5.415 -12.190 124 1HG1 VAL 15 2HG1 VAL 15 -9.028 -8.264 -12.910 125 2HG1 VAL 15 1HG1 VAL 15 -10.367 -7.402 -12.153 126 3HG1 VAL 15 3HG1 VAL 15 -9.662 -6.794 -13.651 127 1HG2 VAL 15 1HG2 VAL 15 -7.993 -7.221 -9.945 128 2HG2 VAL 15 3HG2 VAL 15 -8.756 -5.631 -9.943 129 3HG2 VAL 15 2HG2 VAL 15 -9.719 -7.069 -10.273 130 H GLU 16 H GLU 16 -6.270 -4.716 -13.167 131 HA GLU 16 HA GLU 16 -6.781 -5.192 -15.923 132 1HB GLU 16 2HB GLU 16 -5.219 -3.100 -14.426 133 2HB GLU 16 1HB GLU 16 -5.213 -3.151 -16.189 134 1HG GLU 16 2HG GLU 16 -7.605 -2.894 -16.283 135 2HG GLU 16 1HG GLU 16 -7.751 -3.110 -14.538 136 H CYS 17 H CYS 17 -4.004 -5.712 -13.856 137 HA CYS 17 HA CYS 17 -2.003 -5.962 -15.820 138 1HB CYS 17 2HB CYS 17 -2.326 -7.150 -13.070 139 2HB CYS 17 1HB CYS 17 -0.926 -7.518 -14.079 140 HG CYS 17 HG CYS 17 -0.566 -5.329 -12.517 141 H ALA 18 H ALA 18 -4.036 -8.459 -14.287 142 HA ALA 18 HA ALA 18 -3.038 -10.630 -15.797 143 1HB ALA 18 2HB ALA 18 -5.572 -10.165 -14.250 144 2HB ALA 18 1HB ALA 18 -5.362 -11.633 -15.206 145 3HB ALA 18 3HB ALA 18 -4.241 -11.267 -13.895 146 H GLY 19 H GLY 19 -6.320 -9.280 -16.090 147 1HA GLY 19 2HA GLY 19 -7.252 -8.422 -18.130 148 2HA GLY 19 1HA GLY 19 -6.047 -9.340 -19.026 149 H GLU 20 H GLU 20 -7.865 -10.676 -16.343 150 HA GLU 20 HA GLU 20 -9.896 -11.901 -17.949 151 1HB GLU 20 2HB GLU 20 -8.962 -14.290 -17.155 152 2HB GLU 20 1HB GLU 20 -8.577 -13.596 -18.725 153 1HG GLU 20 2HG GLU 20 -6.388 -13.234 -18.176 154 2HG GLU 20 1HG GLU 20 -6.772 -12.787 -16.514 155 H THR 21 H THR 21 -8.140 -13.210 -15.136 156 HA THR 21 HA THR 21 -9.828 -12.182 -13.140 157 HB THR 21 HB THR 21 -11.648 -13.439 -14.071 158 HG1 THR 21 HG1 THR 21 -12.134 -14.177 -12.183 159 1HG2 THR 21 1HG2 THR 21 -10.119 -14.973 -15.400 160 2HG2 THR 21 3HG2 THR 21 -9.921 -15.917 -13.924 161 3HG2 THR 21 2HG2 THR 21 -11.515 -15.758 -14.663 162 H ASP 22 H ASP 22 -8.528 -12.269 -11.455 163 HA ASP 22 HA ASP 22 -6.714 -14.583 -11.165 164 1HB ASP 22 2HB ASP 22 -5.443 -13.086 -9.606 165 2HB ASP 22 1HB ASP 22 -5.504 -12.492 -11.266 166 H GLY 23 H GLY 23 -9.607 -14.413 -10.352 167 1HA GLY 23 2HA GLY 23 -10.891 -15.164 -8.594 168 2HA GLY 23 1HA GLY 23 -9.396 -15.734 -7.857 169 H THR 24 H THR 24 -11.951 -13.735 -7.396 170 HA THR 24 HA THR 24 -10.499 -12.195 -5.372 171 HB THR 24 HB THR 24 -12.591 -10.668 -6.796 172 HG1 THR 24 HG1 THR 24 -11.672 -11.250 -8.634 173 1HG2 THR 24 1HG2 THR 24 -11.069 -9.911 -4.877 174 2HG2 THR 24 3HG2 THR 24 -9.770 -9.879 -6.069 175 3HG2 THR 24 2HG2 THR 24 -11.176 -8.834 -6.269 176 H ASP 25 H ASP 25 -11.463 -12.433 -3.530 177 HA ASP 25 HA ASP 25 -14.375 -12.435 -3.311 178 1HB ASP 25 2HB ASP 25 -13.373 -14.864 -3.545 179 2HB ASP 25 1HB ASP 25 -12.930 -14.615 -1.856 180 H LEU 26 H LEU 26 -14.385 -10.622 -2.092 181 HA LEU 26 HA LEU 26 -12.533 -10.238 0.097 182 1HB LEU 26 2HB LEU 26 -14.901 -8.655 -0.911 183 2HB LEU 26 1HB LEU 26 -14.029 -8.212 0.553 184 HG LEU 26 HG LEU 26 -13.158 -6.949 -1.359 185 1HD1 LEU 26 2HD1 LEU 26 -11.643 -8.194 0.486 186 2HD1 LEU 26 1HD1 LEU 26 -10.975 -8.930 -0.971 187 3HD1 LEU 26 3HD1 LEU 26 -10.953 -7.177 -0.780 188 1HD2 LEU 26 3HD2 LEU 26 -13.806 -8.880 -2.979 189 2HD2 LEU 26 2HD2 LEU 26 -12.359 -7.938 -3.337 190 3HD2 LEU 26 1HD2 LEU 26 -12.213 -9.530 -2.592 191 H SER 27 H SER 27 -13.030 -12.131 1.337 192 HA SER 27 HA SER 27 -15.240 -11.665 3.196 193 1HB SER 27 2HB SER 27 -16.001 -13.227 1.286 194 2HB SER 27 1HB SER 27 -14.913 -14.412 2.003 195 HG SER 27 HG SER 27 -16.201 -14.587 3.685 196 H GLY 28 H GLY 28 -12.355 -11.484 3.359 197 1HA GLY 28 2HA GLY 28 -11.721 -12.350 5.815 198 2HA GLY 28 1HA GLY 28 -11.483 -13.819 4.871 199 H ASP 29 H ASP 29 -10.796 -10.379 4.257 200 HA ASP 29 HA ASP 29 -8.875 -9.287 3.626 201 1HB ASP 29 2HB ASP 29 -7.872 -11.501 5.346 202 2HB ASP 29 1HB ASP 29 -6.693 -10.656 4.343 203 H PHE 30 H PHE 30 -7.273 -9.261 1.995 204 HA PHE 30 HA PHE 30 -7.096 -11.696 0.344 205 1HB PHE 30 2HB PHE 30 -7.628 -10.560 -1.665 206 2HB PHE 30 1HB PHE 30 -8.849 -10.034 -0.514 207 HD1 PHE 30 HD1 PHE 30 -8.185 -7.844 0.879 208 HD2 PHE 30 HD2 PHE 30 -6.512 -8.947 -2.917 209 HE1 PHE 30 HE1 PHE 30 -7.516 -5.495 0.488 210 HE2 PHE 30 HE2 PHE 30 -5.845 -6.595 -3.311 211 HZ PHE 30 HZ PHE 30 -6.344 -4.868 -1.609 212 H LEU 31 H LEU 31 -5.262 -10.164 2.229 213 HA LEU 31 HA LEU 31 -3.102 -9.638 0.288 214 1HB LEU 31 2HB LEU 31 -3.499 -8.445 3.047 215 2HB LEU 31 1HB LEU 31 -2.177 -8.071 1.938 216 HG LEU 31 HG LEU 31 -5.057 -7.777 1.088 217 1HD1 LEU 31 3HD1 LEU 31 -3.454 -6.033 2.884 218 2HD1 LEU 31 2HD1 LEU 31 -4.363 -5.230 1.602 219 3HD1 LEU 31 1HD1 LEU 31 -5.203 -6.242 2.776 220 1HD2 LEU 31 2HD2 LEU 31 -2.366 -6.799 0.149 221 2HD2 LEU 31 1HD2 LEU 31 -3.616 -7.644 -0.765 222 3HD2 LEU 31 3HD2 LEU 31 -3.842 -5.954 -0.318 223 H ASP 32 H ASP 32 -2.140 -9.752 3.601 224 HA ASP 32 HA ASP 32 -0.529 -11.131 4.559 225 1HB ASP 32 2HB ASP 32 -3.044 -12.695 4.163 226 2HB ASP 32 1HB ASP 32 -1.631 -13.513 4.828 227 H LEU 33 H LEU 33 0.454 -10.825 2.126 228 HA LEU 33 HA LEU 33 1.929 -11.778 0.628 229 1HB LEU 33 2HB LEU 33 2.299 -13.360 2.762 230 2HB LEU 33 1HB LEU 33 1.551 -14.539 1.684 231 HG LEU 33 HG LEU 33 3.283 -13.440 -0.051 232 1HD1 LEU 33 1HD1 LEU 33 4.054 -11.954 1.947 233 2HD1 LEU 33 3HD1 LEU 33 4.882 -13.409 2.504 234 3HD1 LEU 33 2HD1 LEU 33 5.288 -12.708 0.938 235 1HD2 LEU 33 3HD2 LEU 33 3.026 -15.854 0.717 236 2HD2 LEU 33 2HD2 LEU 33 4.671 -15.369 0.308 237 3HD2 LEU 33 1HD2 LEU 33 4.180 -15.485 1.998 238 H ARG 34 H ARG 34 0.500 -11.415 -1.064 239 HA ARG 34 HA ARG 34 -1.022 -13.783 -1.962 240 1HB ARG 34 2HB ARG 34 -2.320 -11.664 -1.142 241 2HB ARG 34 1HB ARG 34 -1.834 -10.988 -2.695 242 1HG ARG 34 2HG ARG 34 -3.986 -12.020 -3.011 243 2HG ARG 34 1HG ARG 34 -2.791 -13.056 -3.792 244 1HD ARG 34 2HD ARG 34 -3.073 -14.746 -2.282 245 2HD ARG 34 1HD ARG 34 -3.320 -13.641 -0.935 246 HE ARG 34 HE ARG 34 -5.591 -13.340 -2.414 247 1HH1 ARG 34 2HH1 ARG 34 -4.460 -15.377 -0.031 248 2HH1 ARG 34 1HH1 ARG 34 -5.600 -16.653 -0.301 249 1HH2 ARG 34 1HH2 ARG 34 -6.822 -15.296 -3.249 250 2HH2 ARG 34 2HH2 ARG 34 -6.938 -16.606 -2.123 251 H PHE 35 H PHE 35 1.762 -12.590 -2.585 252 HA PHE 35 HA PHE 35 1.414 -12.093 -5.465 253 1HB PHE 35 2HB PHE 35 3.508 -11.410 -3.460 254 2HB PHE 35 1HB PHE 35 4.042 -11.716 -5.112 255 HD1 PHE 35 HD2 PHE 35 0.819 -10.192 -3.933 256 HD2 PHE 35 HD1 PHE 35 4.558 -9.576 -5.966 257 HE1 PHE 35 HE2 PHE 35 0.086 -7.918 -4.598 258 HE2 PHE 35 HE1 PHE 35 3.821 -7.305 -6.625 259 HZ PHE 35 HZ PHE 35 1.590 -6.474 -5.943 260 H GLU 36 H GLU 36 2.669 -14.406 -3.172 261 HA GLU 36 HA GLU 36 3.930 -15.955 -5.329 262 1HB GLU 36 2HB GLU 36 4.790 -15.457 -2.779 263 2HB GLU 36 1HB GLU 36 4.021 -17.030 -2.582 264 1HG GLU 36 2HG GLU 36 5.348 -17.899 -4.490 265 2HG GLU 36 1HG GLU 36 6.150 -16.333 -4.625 266 H ASP 37 H ASP 37 1.294 -16.018 -3.021 267 HA ASP 37 HA ASP 37 0.581 -18.759 -3.408 268 1HB ASP 37 2HB ASP 37 -0.103 -17.067 -1.511 269 2HB ASP 37 1HB ASP 37 -1.435 -16.695 -2.606 270 H ILE 38 H ILE 38 -0.876 -15.719 -4.586 271 HA ILE 38 HA ILE 38 -2.771 -16.943 -6.277 272 HB ILE 38 HB ILE 38 -2.703 -14.525 -5.466 273 1HG1 ILE 38 2HG1 ILE 38 -4.325 -15.417 -7.142 274 2HG1 ILE 38 1HG1 ILE 38 -3.959 -13.713 -7.372 275 1HG2 ILE 38 2HG2 ILE 38 -0.383 -14.039 -6.211 276 2HG2 ILE 38 1HG2 ILE 38 -0.922 -14.152 -7.886 277 3HG2 ILE 38 3HG2 ILE 38 -1.556 -12.881 -6.839 278 1HD1 ILE 38 1HD1 ILE 38 -2.062 -14.886 -8.973 279 2HD1 ILE 38 3HD1 ILE 38 -3.406 -16.015 -9.135 280 3HD1 ILE 38 2HD1 ILE 38 -3.628 -14.314 -9.541 281 H GLY 39 H GLY 39 0.566 -15.952 -6.791 282 1HA GLY 39 2HA GLY 39 1.938 -17.259 -8.324 283 2HA GLY 39 1HA GLY 39 0.531 -17.393 -9.375 284 H TYR 40 H TYR 40 1.304 -14.386 -7.779 285 HA TYR 40 HA TYR 40 1.593 -13.077 -10.356 286 1HB TYR 40 2HB TYR 40 0.849 -12.281 -7.676 287 2HB TYR 40 1HB TYR 40 2.136 -11.233 -8.269 288 HD1 TYR 40 HD2 TYR 40 -1.195 -12.655 -9.181 289 HD2 TYR 40 HD1 TYR 40 1.694 -9.547 -9.863 290 HE1 TYR 40 HE2 TYR 40 -2.826 -11.456 -10.611 291 HE2 TYR 40 HE1 TYR 40 0.061 -8.349 -11.297 292 HH TYR 40 HH TYR 40 -2.397 -9.580 -12.707 293 H ASP 41 H ASP 41 3.559 -13.713 -11.204 294 HA ASP 41 HA ASP 41 5.978 -13.818 -9.735 295 1HB ASP 41 2HB ASP 41 7.075 -13.707 -12.008 296 2HB ASP 41 1HB ASP 41 5.909 -15.009 -11.804 297 H SER 42 H SER 42 7.622 -12.387 -9.543 298 HA SER 42 HA SER 42 6.946 -9.641 -9.336 299 1HB SER 42 2HB SER 42 9.412 -11.262 -8.982 300 2HB SER 42 1HB SER 42 9.626 -9.535 -9.249 301 HG SER 42 HG SER 42 8.409 -10.906 -7.142 302 H LEU 43 H LEU 43 8.548 -11.533 -11.826 303 HA LEU 43 HA LEU 43 9.649 -9.410 -13.317 304 1HB LEU 43 2HB LEU 43 9.904 -12.028 -13.549 305 2HB LEU 43 1HB LEU 43 8.600 -11.828 -14.720 306 HG LEU 43 HG LEU 43 10.189 -9.792 -15.496 307 1HD1 LEU 43 2HD1 LEU 43 11.925 -11.794 -14.073 308 2HD1 LEU 43 1HD1 LEU 43 12.549 -10.935 -15.482 309 3HD1 LEU 43 3HD1 LEU 43 12.022 -10.033 -14.060 310 1HD2 LEU 43 2HD2 LEU 43 10.288 -12.724 -16.234 311 2HD2 LEU 43 1HD2 LEU 43 9.445 -11.418 -17.067 312 3HD2 LEU 43 3HD2 LEU 43 11.206 -11.509 -17.124 313 H ALA 44 H ALA 44 6.363 -10.450 -12.969 314 HA ALA 44 HA ALA 44 5.512 -9.170 -15.452 315 1HB ALA 44 3HB ALA 44 4.134 -10.773 -13.323 316 2HB ALA 44 2HB ALA 44 3.190 -9.793 -14.445 317 3HB ALA 44 1HB ALA 44 4.232 -11.077 -15.057 318 H LEU 45 H LEU 45 4.728 -8.826 -11.982 319 HA LEU 45 HA LEU 45 3.313 -6.391 -12.315 320 1HB LEU 45 2HB LEU 45 3.445 -6.203 -9.864 321 2HB LEU 45 1HB LEU 45 2.955 -7.817 -10.371 322 HG LEU 45 HG LEU 45 5.646 -8.148 -10.307 323 1HD1 LEU 45 2HD1 LEU 45 4.962 -5.817 -8.591 324 2HD1 LEU 45 1HD1 LEU 45 6.041 -7.020 -7.886 325 3HD1 LEU 45 3HD1 LEU 45 6.481 -6.217 -9.393 326 1HD2 LEU 45 1HD2 LEU 45 3.410 -8.623 -8.418 327 2HD2 LEU 45 3HD2 LEU 45 4.579 -9.761 -9.087 328 3HD2 LEU 45 2HD2 LEU 45 5.023 -8.744 -7.717 329 H MET 46 H MET 46 6.665 -6.989 -12.426 330 HA MET 46 HA MET 46 7.639 -4.612 -11.207 331 1HB MET 46 2HB MET 46 9.046 -6.613 -11.761 332 2HB MET 46 1HB MET 46 8.931 -6.164 -13.461 333 1HG MET 46 2HG MET 46 9.774 -4.032 -11.556 334 2HG MET 46 1HG MET 46 10.939 -5.315 -11.881 335 1HE MET 46 1HE MET 46 12.515 -3.815 -12.602 336 2HE MET 46 3HE MET 46 12.678 -4.970 -13.932 337 3HE MET 46 2HE MET 46 12.706 -3.238 -14.257 338 H GLU 47 H GLU 47 6.358 -5.346 -14.382 339 HA GLU 47 HA GLU 47 7.275 -2.890 -15.591 340 1HB GLU 47 2HB GLU 47 6.751 -5.049 -16.838 341 2HB GLU 47 1HB GLU 47 5.046 -4.663 -16.596 342 1HG GLU 47 2HG GLU 47 5.366 -2.499 -17.731 343 2HG GLU 47 1HG GLU 47 7.073 -2.871 -17.967 344 H THR 48 H THR 48 4.294 -4.079 -14.128 345 HA THR 48 HA THR 48 2.587 -1.956 -14.823 346 HB THR 48 HB THR 48 2.497 -3.512 -12.232 347 HG1 THR 48 HG1 THR 48 1.517 -4.159 -14.812 348 1HG2 THR 48 3HG2 THR 48 0.966 -1.430 -12.934 349 2HG2 THR 48 2HG2 THR 48 0.101 -2.697 -13.803 350 3HG2 THR 48 1HG2 THR 48 0.313 -2.814 -12.057 351 H ALA 49 H ALA 49 4.649 -2.419 -11.966 352 HA ALA 49 HA ALA 49 3.973 0.160 -10.859 353 1HB ALA 49 3HB ALA 49 6.077 -1.878 -10.108 354 2HB ALA 49 2HB ALA 49 5.786 -0.385 -9.215 355 3HB ALA 49 1HB ALA 49 4.523 -1.613 -9.318 356 H ALA 50 H ALA 50 6.416 -1.116 -12.989 357 HA ALA 50 HA ALA 50 8.394 0.880 -12.624 358 1HB ALA 50 1HB ALA 50 7.743 -1.007 -14.879 359 2HB ALA 50 3HB ALA 50 9.026 0.194 -15.033 360 3HB ALA 50 2HB ALA 50 9.119 -1.039 -13.776 361 H ARG 51 H ARG 51 5.460 0.729 -14.536 362 HA ARG 51 HA ARG 51 6.088 3.223 -15.926 363 1HB ARG 51 2HB ARG 51 4.773 1.118 -16.850 364 2HB ARG 51 1HB ARG 51 3.401 1.924 -16.089 365 1HG ARG 51 2HG ARG 51 3.596 3.824 -17.456 366 2HG ARG 51 1HG ARG 51 5.270 3.466 -17.875 367 1HD ARG 51 2HD ARG 51 4.062 2.869 -19.813 368 2HD ARG 51 1HD ARG 51 4.341 1.336 -18.993 369 HE ARG 51 HE ARG 51 1.963 1.822 -18.032 370 1HH1 ARG 51 1HH2 ARG 51 1.144 4.068 -19.654 371 2HH1 ARG 51 2HH2 ARG 51 0.476 3.358 -21.085 372 1HH2 ARG 51 2HH1 ARG 51 1.954 0.265 -20.558 373 2HH2 ARG 51 1HH1 ARG 51 0.935 1.204 -21.597 374 H LEU 52 H LEU 52 3.989 2.000 -13.387 375 HA LEU 52 HA LEU 52 2.523 4.472 -13.110 376 1HB LEU 52 2HB LEU 52 2.379 1.775 -12.031 377 2HB LEU 52 1HB LEU 52 2.156 2.979 -10.767 378 HG LEU 52 HG LEU 52 -0.001 2.382 -11.781 379 1HD1 LEU 52 2HD1 LEU 52 0.782 4.844 -11.156 380 2HD1 LEU 52 1HD1 LEU 52 0.537 5.110 -12.881 381 3HD1 LEU 52 3HD1 LEU 52 -0.800 4.549 -11.877 382 1HD2 LEU 52 1HD2 LEU 52 1.545 2.827 -14.269 383 2HD2 LEU 52 3HD2 LEU 52 0.169 1.766 -13.973 384 3HD2 LEU 52 2HD2 LEU 52 -0.092 3.483 -14.281 385 H GLU 53 H GLU 53 5.628 3.540 -12.170 386 HA GLU 53 HA GLU 53 5.661 4.903 -9.620 387 1HB GLU 53 2HB GLU 53 8.089 4.477 -9.677 388 2HB GLU 53 1HB GLU 53 7.166 3.011 -9.998 389 1HG GLU 53 2HG GLU 53 8.452 2.780 -11.848 390 2HG GLU 53 1HG GLU 53 7.501 4.096 -12.533 391 H SER 54 H SER 54 6.350 5.676 -12.959 392 HA SER 54 HA SER 54 7.691 8.170 -12.293 393 1HB SER 54 2HB SER 54 7.866 8.496 -14.691 394 2HB SER 54 1HB SER 54 8.332 6.844 -14.303 395 HG SER 54 HG SER 54 6.740 6.193 -15.497 396 H ARG 55 H ARG 55 4.520 7.067 -13.304 397 HA ARG 55 HA ARG 55 3.506 9.689 -13.906 398 1HB ARG 55 2HB ARG 55 2.649 7.243 -14.583 399 2HB ARG 55 1HB ARG 55 1.637 7.498 -13.161 400 1HG ARG 55 2HG ARG 55 0.539 9.324 -14.099 401 2HG ARG 55 1HG ARG 55 1.876 9.696 -15.189 402 1HD ARG 55 2HD ARG 55 0.505 8.715 -16.732 403 2HD ARG 55 1HD ARG 55 1.235 7.241 -16.104 404 HE ARG 55 HE ARG 55 -1.045 7.898 -14.551 405 1HH1 ARG 55 2HH1 ARG 55 -1.226 8.008 -17.829 406 2HH1 ARG 55 1HH1 ARG 55 -2.188 6.585 -18.049 407 1HH2 ARG 55 1HH2 ARG 55 -1.821 5.509 -14.773 408 2HH2 ARG 55 2HH2 ARG 55 -2.525 5.169 -16.319 409 H TYR 56 H TYR 56 3.108 7.429 -11.179 410 HA TYR 56 HA TYR 56 1.625 9.398 -9.643 411 1HB TYR 56 2HB TYR 56 2.504 6.567 -9.180 412 2HB TYR 56 1HB TYR 56 1.989 7.556 -7.816 413 HD1 TYR 56 HD2 TYR 56 0.786 7.324 -11.375 414 HD2 TYR 56 HD1 TYR 56 -0.185 6.956 -7.205 415 HE1 TYR 56 HE2 TYR 56 -1.586 6.912 -11.963 416 HE2 TYR 56 HE1 TYR 56 -2.558 6.546 -7.800 417 HH TYR 56 HH TYR 56 -3.972 7.322 -10.369 418 H GLY 57 H GLY 57 4.835 7.895 -9.578 419 1HA GLY 57 2HA GLY 57 6.835 8.854 -8.836 420 2HA GLY 57 1HA GLY 57 5.919 10.222 -8.215 421 H VAL 58 H VAL 58 6.802 6.855 -7.577 422 HA VAL 58 HA VAL 58 6.042 7.196 -4.767 423 HB VAL 58 HB VAL 58 5.188 5.192 -5.925 424 1HG1 VAL 58 1HG1 VAL 58 7.090 4.915 -7.510 425 2HG1 VAL 58 3HG1 VAL 58 8.100 4.393 -6.162 426 3HG1 VAL 58 2HG1 VAL 58 6.707 3.428 -6.646 427 1HG2 VAL 58 3HG2 VAL 58 5.897 5.257 -3.455 428 2HG2 VAL 58 2HG2 VAL 58 5.695 3.666 -4.190 429 3HG2 VAL 58 1HG2 VAL 58 7.312 4.337 -3.966 430 H SER 59 H SER 59 8.757 6.334 -6.853 431 HA SER 59 HA SER 59 10.667 7.449 -5.032 432 1HB SER 59 2HB SER 59 11.862 5.420 -4.443 433 2HB SER 59 1HB SER 59 10.195 5.285 -3.897 434 HG SER 59 HG SER 59 11.367 4.166 -6.229 435 H ILE 60 H ILE 60 12.988 6.559 -5.789 436 HA ILE 60 HA ILE 60 13.059 7.150 -8.639 437 HB ILE 60 HB ILE 60 15.427 6.693 -6.818 438 1HG1 ILE 60 2HG1 ILE 60 15.236 9.405 -7.160 439 2HG1 ILE 60 1HG1 ILE 60 13.533 8.959 -7.052 440 1HG2 ILE 60 1HG2 ILE 60 15.758 6.630 -9.307 441 2HG2 ILE 60 3HG2 ILE 60 15.137 8.279 -9.380 442 3HG2 ILE 60 2HG2 ILE 60 16.631 7.936 -8.506 443 1HD1 ILE 60 2HD1 ILE 60 14.611 7.467 -5.018 444 2HD1 ILE 60 1HD1 ILE 60 15.624 8.910 -4.973 445 3HD1 ILE 60 3HD1 ILE 60 13.875 9.055 -4.805 446 HA PRO 61 HA PRO 61 15.078 2.849 -8.786 447 1HB PRO 61 2HB PRO 61 14.960 1.224 -6.594 448 2HB PRO 61 1HB PRO 61 16.274 2.373 -6.894 449 1HG PRO 61 2HG PRO 61 14.062 2.522 -4.937 450 2HG PRO 61 1HG PRO 61 15.662 3.271 -4.887 451 1HD PRO 61 2HD PRO 61 13.215 4.539 -5.590 452 2HD PRO 61 1HD PRO 61 14.849 5.216 -5.749 453 H ASP 62 H ASP 62 14.001 1.251 -9.839 454 HA ASP 62 HA ASP 62 11.159 0.870 -9.233 455 1HB ASP 62 2HB ASP 62 12.901 0.163 -11.591 456 2HB ASP 62 1HB ASP 62 11.272 -0.491 -11.409 457 H ASP 63 H ASP 63 14.209 -0.824 -9.115 458 HA ASP 63 HA ASP 63 13.346 -3.482 -9.014 459 1HB ASP 63 2HB ASP 63 15.428 -3.888 -7.682 460 2HB ASP 63 1HB ASP 63 15.700 -2.981 -9.169 461 H VAL 64 H VAL 64 12.998 -0.941 -6.675 462 HA VAL 64 HA VAL 64 12.805 -2.433 -4.305 463 HB VAL 64 HB VAL 64 12.912 0.036 -4.369 464 1HG1 VAL 64 2HG1 VAL 64 11.302 0.233 -6.328 465 2HG1 VAL 64 1HG1 VAL 64 9.996 -0.033 -5.173 466 3HG1 VAL 64 3HG1 VAL 64 11.041 1.380 -5.014 467 1HG2 VAL 64 3HG2 VAL 64 12.024 -1.165 -2.371 468 2HG2 VAL 64 2HG2 VAL 64 11.318 0.440 -2.561 469 3HG2 VAL 64 1HG2 VAL 64 10.394 -0.989 -3.023 470 H ALA 65 H ALA 65 10.351 -1.594 -6.718 471 HA ALA 65 HA ALA 65 8.253 -3.016 -5.316 472 1HB ALA 65 2HB ALA 65 8.450 -1.531 -7.911 473 2HB ALA 65 1HB ALA 65 7.095 -2.626 -7.638 474 3HB ALA 65 3HB ALA 65 7.360 -1.262 -6.550 475 H GLY 66 H GLY 66 10.507 -3.629 -7.923 476 1HA GLY 66 2HA GLY 66 9.298 -5.900 -9.066 477 2HA GLY 66 1HA GLY 66 11.019 -5.533 -9.110 478 H ARG 67 H ARG 67 11.162 -5.481 -6.135 479 HA ARG 67 HA ARG 67 11.297 -8.399 -5.752 480 1HB ARG 67 2HB ARG 67 13.252 -6.595 -5.361 481 2HB ARG 67 1HB ARG 67 12.505 -6.549 -3.764 482 1HG ARG 67 2HG ARG 67 12.694 -9.013 -3.613 483 2HG ARG 67 1HG ARG 67 13.476 -9.041 -5.193 484 1HD ARG 67 2HD ARG 67 15.162 -7.373 -4.166 485 2HD ARG 67 1HD ARG 67 14.506 -7.873 -2.611 486 HE ARG 67 HE ARG 67 16.238 -9.424 -4.326 487 1HH1 ARG 67 1HH2 ARG 67 14.176 -11.416 -4.056 488 2HH1 ARG 67 2HH2 ARG 67 14.450 -12.132 -2.504 489 1HH2 ARG 67 2HH1 ARG 67 16.432 -9.527 -1.359 490 2HH2 ARG 67 1HH1 ARG 67 15.729 -11.063 -0.976 491 H VAL 68 H VAL 68 8.795 -6.954 -5.542 492 HA VAL 68 HA VAL 68 8.239 -6.749 -2.692 493 HB VAL 68 HB VAL 68 7.194 -5.178 -4.319 494 1HG1 VAL 68 3HG1 VAL 68 6.879 -7.001 -6.093 495 2HG1 VAL 68 2HG1 VAL 68 5.465 -7.509 -5.173 496 3HG1 VAL 68 1HG1 VAL 68 5.526 -5.891 -5.870 497 1HG2 VAL 68 1HG2 VAL 68 5.659 -6.913 -2.441 498 2HG2 VAL 68 3HG2 VAL 68 5.935 -5.173 -2.394 499 3HG2 VAL 68 2HG2 VAL 68 4.727 -5.843 -3.488 500 H ASP 69 H ASP 69 7.630 -8.396 -1.473 501 HA ASP 69 HA ASP 69 6.738 -10.876 -2.785 502 1HB ASP 69 2HB ASP 69 8.666 -10.606 -0.947 503 2HB ASP 69 1HB ASP 69 7.289 -10.792 0.138 504 H THR 70 H THR 70 5.725 -8.373 -0.566 505 HA THR 70 HA THR 70 3.242 -9.838 0.022 506 HB THR 70 HB THR 70 2.999 -7.596 1.493 507 HG1 THR 70 HG1 THR 70 5.156 -7.192 2.293 508 1HG2 THR 70 3HG2 THR 70 3.120 -10.086 2.146 509 2HG2 THR 70 2HG2 THR 70 4.843 -9.805 2.400 510 3HG2 THR 70 1HG2 THR 70 3.655 -8.910 3.348 511 HA PRO 71 HA PRO 71 0.990 -7.136 -2.676 512 1HB PRO 71 2HB PRO 71 -1.525 -7.488 -1.669 513 2HB PRO 71 1HB PRO 71 -0.664 -8.723 -2.600 514 1HG PRO 71 2HG PRO 71 -1.277 -8.646 0.278 515 2HG PRO 71 1HG PRO 71 -0.883 -10.029 -0.749 516 1HD PRO 71 2HD PRO 71 0.862 -8.643 1.069 517 2HD PRO 71 1HD PRO 71 1.276 -9.994 -0.008 518 H ARG 72 H ARG 72 -0.190 -6.831 0.681 519 HA ARG 72 HA ARG 72 -1.185 -4.216 0.508 520 1HB ARG 72 2HB ARG 72 -1.365 -5.983 2.428 521 2HB ARG 72 1HB ARG 72 0.101 -5.212 3.029 522 1HG ARG 72 2HG ARG 72 -1.043 -3.014 2.969 523 2HG ARG 72 1HG ARG 72 -2.517 -3.810 2.416 524 1HD ARG 72 2HD ARG 72 -2.412 -5.240 4.499 525 2HD ARG 72 1HD ARG 72 -1.104 -4.205 5.063 526 HE ARG 72 HE ARG 72 -2.672 -2.528 5.493 527 1HH1 ARG 72 2HH1 ARG 72 -4.475 -1.579 3.944 528 2HH1 ARG 72 1HH1 ARG 72 -5.910 -2.548 3.950 529 1HH2 ARG 72 1HH2 ARG 72 -4.358 -5.310 5.362 530 2HH2 ARG 72 2HH2 ARG 72 -5.844 -4.661 4.753 531 H GLU 73 H GLU 73 2.083 -5.363 0.656 532 HA GLU 73 HA GLU 73 3.355 -3.100 1.770 533 1HB GLU 73 2HB GLU 73 4.429 -5.336 1.400 534 2HB GLU 73 1HB GLU 73 4.476 -4.974 -0.326 535 1HG GLU 73 2HG GLU 73 5.567 -2.865 1.447 536 2HG GLU 73 1HG GLU 73 6.494 -4.364 1.392 537 H LEU 74 H LEU 74 2.704 -4.016 -1.607 538 HA LEU 74 HA LEU 74 3.898 -1.833 -2.878 539 1HB LEU 74 2HB LEU 74 2.605 -4.024 -3.766 540 2HB LEU 74 1HB LEU 74 1.344 -2.820 -4.026 541 HG LEU 74 HG LEU 74 3.405 -1.441 -5.032 542 1HD1 LEU 74 3HD1 LEU 74 4.225 -4.321 -5.019 543 2HD1 LEU 74 2HD1 LEU 74 4.631 -3.341 -6.429 544 3HD1 LEU 74 1HD1 LEU 74 5.216 -2.874 -4.831 545 1HD2 LEU 74 3HD2 LEU 74 1.210 -2.322 -6.102 546 2HD2 LEU 74 2HD2 LEU 74 2.572 -1.999 -7.175 547 3HD2 LEU 74 1HD2 LEU 74 2.201 -3.654 -6.695 548 H LEU 75 H LEU 75 0.567 -2.198 -1.684 549 HA LEU 75 HA LEU 75 -0.488 0.241 -2.551 550 1HB LEU 75 2HB LEU 75 -1.834 -1.581 -1.540 551 2HB LEU 75 1HB LEU 75 -1.119 -1.221 0.030 552 HG LEU 75 HG LEU 75 -1.993 1.189 -0.345 553 1HD1 LEU 75 3HD1 LEU 75 -2.539 0.441 -2.824 554 2HD1 LEU 75 2HD1 LEU 75 -4.040 -0.121 -2.091 555 3HD1 LEU 75 1HD1 LEU 75 -3.588 1.578 -1.982 556 1HD2 LEU 75 1HD2 LEU 75 -3.566 -1.273 0.306 557 2HD2 LEU 75 3HD2 LEU 75 -3.109 0.072 1.352 558 3HD2 LEU 75 2HD2 LEU 75 -4.428 0.260 0.196 559 H ASP 76 H ASP 76 0.813 -0.472 0.699 560 HA ASP 76 HA ASP 76 0.756 2.176 1.635 561 1HB ASP 76 2HB ASP 76 1.120 -0.032 2.942 562 2HB ASP 76 1HB ASP 76 2.825 0.201 2.553 563 H LEU 77 H LEU 77 2.907 0.683 -0.609 564 HA LEU 77 HA LEU 77 5.202 2.298 -0.079 565 1HB LEU 77 2HB LEU 77 4.883 0.066 -1.510 566 2HB LEU 77 1HB LEU 77 4.726 1.237 -2.820 567 HG LEU 77 HG LEU 77 6.866 2.317 -1.846 568 1HD1 LEU 77 2HD1 LEU 77 6.526 0.640 0.209 569 2HD1 LEU 77 1HD1 LEU 77 7.501 -0.414 -0.816 570 3HD1 LEU 77 3HD1 LEU 77 8.131 1.153 -0.308 571 1HD2 LEU 77 3HD2 LEU 77 6.941 -0.439 -3.118 572 2HD2 LEU 77 2HD2 LEU 77 6.832 1.099 -3.975 573 3HD2 LEU 77 1HD2 LEU 77 8.295 0.690 -3.080 574 H ILE 78 H ILE 78 2.956 2.360 -2.863 575 HA ILE 78 HA ILE 78 3.840 4.849 -3.861 576 HB ILE 78 HB ILE 78 1.097 3.601 -4.164 577 1HG1 ILE 78 2HG1 ILE 78 3.201 3.356 -6.257 578 2HG1 ILE 78 1HG1 ILE 78 3.414 2.370 -4.809 579 1HG2 ILE 78 1HG2 ILE 78 2.623 5.718 -5.691 580 2HG2 ILE 78 3HG2 ILE 78 1.250 4.854 -6.385 581 3HG2 ILE 78 2HG2 ILE 78 1.029 5.854 -4.949 582 1HD1 ILE 78 3HD1 ILE 78 0.755 2.459 -6.223 583 2HD1 ILE 78 2HD1 ILE 78 2.034 1.379 -6.778 584 3HD1 ILE 78 1HD1 ILE 78 1.392 1.218 -5.144 585 H ASN 79 H ASN 79 1.353 3.982 -1.565 586 HA ASN 79 HA ASN 79 -0.026 6.384 -1.307 587 1HB ASN 79 2HB ASN 79 -0.192 3.932 -0.128 588 2HB ASN 79 1HB ASN 79 0.424 4.900 1.208 589 1HD2 ASN 79 2HD2 ASN 79 -3.397 5.051 0.834 590 2HD2 ASN 79 1HD2 ASN 79 -2.342 3.727 0.708 591 H GLY 80 H GLY 80 2.558 5.201 0.862 592 1HA GLY 80 2HA GLY 80 2.844 7.523 2.381 593 2HA GLY 80 1HA GLY 80 4.107 6.321 2.149 594 H ALA 81 H ALA 81 4.769 6.517 -0.455 595 HA ALA 81 HA ALA 81 6.473 8.722 -0.574 596 1HB ALA 81 2HB ALA 81 5.355 7.077 -2.850 597 2HB ALA 81 1HB ALA 81 6.714 8.190 -2.983 598 3HB ALA 81 3HB ALA 81 6.844 6.761 -1.958 599 H LEU 82 H LEU 82 3.141 8.407 -1.571 600 HA LEU 82 HA LEU 82 3.044 10.764 -3.192 601 1HB LEU 82 2HB LEU 82 1.310 8.664 -2.661 602 2HB LEU 82 1HB LEU 82 0.528 10.027 -1.869 603 HG LEU 82 HG LEU 82 -0.233 9.846 -4.185 604 1HD1 LEU 82 3HD1 LEU 82 0.401 12.120 -2.994 605 2HD1 LEU 82 2HD1 LEU 82 1.624 12.195 -4.262 606 3HD1 LEU 82 1HD1 LEU 82 -0.085 12.106 -4.689 607 1HD2 LEU 82 2HD2 LEU 82 2.650 9.488 -4.660 608 2HD2 LEU 82 1HD2 LEU 82 1.277 8.952 -5.626 609 3HD2 LEU 82 3HD2 LEU 82 1.883 10.600 -5.792 610 H ALA 83 H ALA 83 2.304 10.017 0.174 611 HA ALA 83 HA ALA 83 1.263 12.505 0.958 612 1HB ALA 83 1HB ALA 83 2.662 10.291 2.440 613 2HB ALA 83 3HB ALA 83 2.199 11.779 3.265 614 3HB ALA 83 2HB ALA 83 0.966 10.769 2.511 615 H GLU 84 H GLU 84 4.565 11.359 0.605 616 HA GLU 84 HA GLU 84 5.531 14.053 1.367 617 1HB GLU 84 2HB GLU 84 7.056 11.439 1.491 618 2HB GLU 84 1HB GLU 84 7.642 13.020 2.011 619 1HG GLU 84 2HG GLU 84 5.404 12.958 3.467 620 2HG GLU 84 1HG GLU 84 5.640 11.219 3.306 621 H ALA 85 H ALA 85 4.560 13.457 -1.214 622 HA ALA 85 HA ALA 85 6.893 13.012 -2.915 623 1HB ALA 85 2HB ALA 85 3.946 13.227 -3.350 624 2HB ALA 85 1HB ALA 85 5.018 13.609 -4.697 625 3HB ALA 85 3HB ALA 85 5.082 12.016 -3.942 626 H ALA 86 HN ALA 86 4.675 15.596 -1.993 627 HA ALA 86 HA ALA 86 4.792 17.881 -2.229 628 1HB ALA 86 3HB ALA 86 7.049 17.474 -1.181 629 2HB ALA 86 2HB ALA 86 7.728 17.453 -2.809 630 3HB ALA 86 1HB ALA 86 6.958 18.914 -2.193 No H/Q in entry = 630 Start of MODEL 14 1 1H MET 1 3H MET 1 -10.088 9.495 6.278 2 2H MET 1 2H MET 1 -11.675 9.790 5.746 3 3H MET 1 1H MET 1 -10.758 8.545 5.043 4 HA MET 1 HA MET 1 -10.673 10.261 3.483 5 1HB MET 1 2HB MET 1 -11.475 11.906 5.373 6 2HB MET 1 1HB MET 1 -9.750 12.233 5.551 7 1HG MET 1 2HG MET 1 -9.558 12.937 3.268 8 2HG MET 1 1HG MET 1 -11.172 12.341 2.882 9 1HE MET 1 1HE MET 1 -12.941 13.346 2.758 10 2HE MET 1 3HE MET 1 -13.522 13.656 4.400 11 3HE MET 1 2HE MET 1 -13.421 14.973 3.235 12 H ALA 2 H ALA 2 -8.836 10.385 2.299 13 HA ALA 2 HA ALA 2 -6.232 10.528 3.628 14 1HB ALA 2 3HB ALA 2 -7.095 8.194 1.911 15 2HB ALA 2 2HB ALA 2 -5.413 8.554 2.296 16 3HB ALA 2 1HB ALA 2 -6.544 8.144 3.585 17 H THR 3 H THR 3 -4.731 11.555 2.426 18 HA THR 3 HA THR 3 -5.562 12.478 -0.245 19 HB THR 3 HB THR 3 -3.111 13.574 1.025 20 HG1 THR 3 HG1 THR 3 -4.427 13.493 2.808 21 1HG2 THR 3 2HG2 THR 3 -4.086 14.374 -1.137 22 2HG2 THR 3 1HG2 THR 3 -5.530 14.875 -0.258 23 3HG2 THR 3 3HG2 THR 3 -3.978 15.641 0.085 24 H LEU 4 H LEU 4 -4.453 9.786 0.321 25 HA LEU 4 HA LEU 4 -2.069 9.947 -1.422 26 1HB LEU 4 2HB LEU 4 -2.566 7.864 0.731 27 2HB LEU 4 1HB LEU 4 -1.132 8.011 -0.276 28 HG LEU 4 HG LEU 4 -0.531 8.954 1.819 29 1HD1 LEU 4 3HD1 LEU 4 -0.402 10.464 -0.452 30 2HD1 LEU 4 2HD1 LEU 4 -1.240 11.566 0.640 31 3HD1 LEU 4 1HD1 LEU 4 0.338 10.917 1.083 32 1HD2 LEU 4 1HD2 LEU 4 -3.195 9.341 2.221 33 2HD2 LEU 4 3HD2 LEU 4 -1.936 10.039 3.240 34 3HD2 LEU 4 2HD2 LEU 4 -2.661 11.000 1.953 35 H LEU 5 H LEU 5 -2.104 6.890 -1.529 36 HA LEU 5 HA LEU 5 -4.127 6.728 -3.623 37 1HB LEU 5 2HB LEU 5 -1.640 5.315 -2.994 38 2HB LEU 5 1HB LEU 5 -2.938 4.212 -3.431 39 HG LEU 5 HG LEU 5 -1.883 6.530 -5.084 40 1HD1 LEU 5 1HD1 LEU 5 -1.565 3.577 -5.059 41 2HD1 LEU 5 3HD1 LEU 5 -1.793 4.310 -6.647 42 3HD1 LEU 5 2HD1 LEU 5 -0.454 4.825 -5.622 43 1HD2 LEU 5 1HD2 LEU 5 -4.330 4.785 -5.424 44 2HD2 LEU 5 3HD2 LEU 5 -4.206 6.538 -5.576 45 3HD2 LEU 5 2HD2 LEU 5 -3.518 5.494 -6.817 46 H THR 6 H THR 6 -4.988 4.227 -3.663 47 HA THR 6 HA THR 6 -6.160 3.713 -1.004 48 HB THR 6 HB THR 6 -7.783 3.283 -3.485 49 HG1 THR 6 HG1 THR 6 -8.050 5.337 -3.741 50 1HG2 THR 6 1HG2 THR 6 -8.282 3.772 -0.551 51 2HG2 THR 6 3HG2 THR 6 -9.568 3.941 -1.746 52 3HG2 THR 6 2HG2 THR 6 -8.766 2.386 -1.529 53 H THR 7 H THR 7 -6.785 1.583 -0.591 54 HA THR 7 HA THR 7 -5.080 -0.439 -1.576 55 HB THR 7 HB THR 7 -7.761 -0.817 -0.223 56 HG1 THR 7 HG1 THR 7 -6.342 -0.904 1.669 57 1HG2 THR 7 1HG2 THR 7 -6.382 -2.743 -1.335 58 2HG2 THR 7 3HG2 THR 7 -5.334 -2.554 0.069 59 3HG2 THR 7 2HG2 THR 7 -7.035 -2.969 0.287 60 H ASP 8 H ASP 8 -8.368 0.515 -2.367 61 HA ASP 8 HA ASP 8 -9.025 -1.599 -4.114 62 1HB ASP 8 2HB ASP 8 -10.499 0.375 -3.204 63 2HB ASP 8 1HB ASP 8 -9.944 1.208 -4.656 64 H ASP 9 H ASP 9 -7.154 1.339 -4.523 65 HA ASP 9 HA ASP 9 -6.963 1.384 -7.336 66 1HB ASP 9 2HB ASP 9 -5.986 2.989 -5.328 67 2HB ASP 9 1HB ASP 9 -4.520 2.186 -5.876 68 H LEU 10 H LEU 10 -4.929 -0.145 -4.844 69 HA LEU 10 HA LEU 10 -3.019 -1.240 -6.606 70 1HB LEU 10 2HB LEU 10 -2.120 -2.277 -4.766 71 2HB LEU 10 1HB LEU 10 -3.144 -1.124 -3.931 72 HG LEU 10 HG LEU 10 -4.915 -3.138 -4.167 73 1HD1 LEU 10 1HD1 LEU 10 -2.762 -4.346 -5.275 74 2HD1 LEU 10 3HD1 LEU 10 -2.516 -4.783 -3.585 75 3HD1 LEU 10 2HD1 LEU 10 -4.015 -5.227 -4.402 76 1HD2 LEU 10 2HD2 LEU 10 -3.730 -1.958 -2.106 77 2HD2 LEU 10 1HD2 LEU 10 -4.618 -3.470 -1.898 78 3HD2 LEU 10 3HD2 LEU 10 -2.858 -3.488 -2.029 79 H ARG 11 H ARG 11 -6.189 -2.329 -5.625 80 HA ARG 11 HA ARG 11 -6.083 -4.986 -6.550 81 1HB ARG 11 2HB ARG 11 -7.964 -3.469 -5.286 82 2HB ARG 11 1HB ARG 11 -8.664 -3.590 -6.899 83 1HG ARG 11 2HG ARG 11 -7.562 -6.070 -5.630 84 2HG ARG 11 1HG ARG 11 -9.127 -5.466 -5.081 85 1HD ARG 11 2HD ARG 11 -9.734 -5.335 -7.589 86 2HD ARG 11 1HD ARG 11 -8.329 -6.364 -7.847 87 HE ARG 11 HE ARG 11 -9.808 -7.619 -5.873 88 1HH1 ARG 11 2HH1 ARG 11 -11.938 -6.226 -7.740 89 2HH1 ARG 11 1HH1 ARG 11 -12.385 -7.575 -8.729 90 1HH2 ARG 11 1HH2 ARG 11 -9.684 -9.521 -7.754 91 2HH2 ARG 11 2HH2 ARG 11 -11.108 -9.442 -8.736 92 H ARG 12 H ARG 12 -7.284 -2.057 -8.195 93 HA ARG 12 HA ARG 12 -7.952 -3.286 -10.632 94 1HB ARG 12 2HB ARG 12 -8.451 -0.880 -9.794 95 2HB ARG 12 1HB ARG 12 -6.888 -0.478 -10.509 96 1HG ARG 12 2HG ARG 12 -7.722 -1.619 -12.637 97 2HG ARG 12 1HG ARG 12 -9.323 -1.614 -11.897 98 1HD ARG 12 2HD ARG 12 -9.481 0.712 -11.932 99 2HD ARG 12 1HD ARG 12 -7.735 0.930 -11.984 100 HE ARG 12 HE ARG 12 -9.424 0.142 -14.282 101 1HH1 ARG 12 2HH1 ARG 12 -6.568 -0.764 -14.519 102 2HH1 ARG 12 1HH1 ARG 12 -5.820 0.572 -15.327 103 1HH2 ARG 12 1HH2 ARG 12 -8.406 2.778 -14.642 104 2HH2 ARG 12 2HH2 ARG 12 -6.859 2.578 -15.397 105 H ALA 13 H ALA 13 -4.894 -2.063 -9.411 106 HA ALA 13 HA ALA 13 -3.480 -2.144 -11.883 107 1HB ALA 13 2HB ALA 13 -2.581 -2.162 -9.003 108 2HB ALA 13 1HB ALA 13 -1.442 -2.218 -10.348 109 3HB ALA 13 3HB ALA 13 -2.515 -0.830 -10.157 110 H LEU 14 H LEU 14 -4.220 -4.528 -9.430 111 HA LEU 14 HA LEU 14 -2.333 -6.466 -10.494 112 1HB LEU 14 2HB LEU 14 -4.272 -6.409 -8.217 113 2HB LEU 14 1HB LEU 14 -3.703 -7.967 -8.819 114 HG LEU 14 HG LEU 14 -1.630 -5.876 -8.397 115 1HD1 LEU 14 2HD1 LEU 14 -3.366 -5.927 -6.405 116 2HD1 LEU 14 1HD1 LEU 14 -2.545 -7.435 -6.001 117 3HD1 LEU 14 3HD1 LEU 14 -1.634 -5.927 -6.069 118 1HD2 LEU 14 2HD2 LEU 14 -1.408 -8.373 -9.148 119 2HD2 LEU 14 1HD2 LEU 14 -0.264 -7.737 -7.965 120 3HD2 LEU 14 3HD2 LEU 14 -1.622 -8.730 -7.435 121 H VAL 15 H VAL 15 -5.646 -5.591 -11.009 122 HA VAL 15 HA VAL 15 -6.348 -8.173 -12.158 123 HB VAL 15 HB VAL 15 -7.959 -5.614 -12.188 124 1HG1 VAL 15 2HG1 VAL 15 -8.417 -8.460 -12.950 125 2HG1 VAL 15 1HG1 VAL 15 -9.749 -7.617 -12.158 126 3HG1 VAL 15 3HG1 VAL 15 -9.074 -6.987 -13.660 127 1HG2 VAL 15 3HG2 VAL 15 -7.259 -7.373 -9.982 128 2HG2 VAL 15 2HG2 VAL 15 -8.201 -5.884 -9.958 129 3HG2 VAL 15 1HG2 VAL 15 -8.997 -7.423 -10.280 130 H GLU 16 H GLU 16 -5.122 -5.104 -13.216 131 HA GLU 16 HA GLU 16 -6.017 -5.148 -15.900 132 1HB GLU 16 2HB GLU 16 -4.810 -3.262 -14.528 133 2HB GLU 16 1HB GLU 16 -3.344 -4.012 -15.160 134 1HG GLU 16 2HG GLU 16 -5.604 -3.419 -17.043 135 2HG GLU 16 1HG GLU 16 -4.542 -2.105 -16.535 136 H CYS 17 H CYS 17 -3.318 -6.671 -14.249 137 HA CYS 17 HA CYS 17 -2.174 -7.639 -16.760 138 1HB CYS 17 2HB CYS 17 -1.302 -7.598 -13.907 139 2HB CYS 17 1HB CYS 17 -0.630 -8.835 -14.970 140 HG CYS 17 HG CYS 17 0.575 -7.076 -16.308 141 H ALA 18 H ALA 18 -4.858 -8.589 -15.622 142 HA ALA 18 HA ALA 18 -4.344 -11.416 -16.105 143 1HB ALA 18 3HB ALA 18 -5.376 -10.334 -13.497 144 2HB ALA 18 2HB ALA 18 -5.868 -11.931 -14.063 145 3HB ALA 18 1HB ALA 18 -4.163 -11.584 -13.779 146 H GLY 19 H GLY 19 -7.084 -9.685 -14.635 147 1HA GLY 19 2HA GLY 19 -9.264 -9.409 -15.327 148 2HA GLY 19 1HA GLY 19 -8.628 -9.380 -16.969 149 H GLU 20 H GLU 20 -9.358 -11.666 -14.334 150 HA GLU 20 HA GLU 20 -10.553 -13.474 -16.328 151 1HB GLU 20 2HB GLU 20 -9.469 -15.415 -15.212 152 2HB GLU 20 1HB GLU 20 -8.317 -14.336 -15.998 153 1HG GLU 20 2HG GLU 20 -7.500 -13.511 -13.989 154 2HG GLU 20 1HG GLU 20 -8.995 -13.859 -13.119 155 H THR 21 H THR 21 -11.454 -11.639 -14.055 156 HA THR 21 HA THR 21 -13.663 -13.105 -13.182 157 HB THR 21 HB THR 21 -12.242 -14.489 -11.836 158 HG1 THR 21 HG1 THR 21 -13.195 -12.475 -10.096 159 1HG2 THR 21 1HG2 THR 21 -10.568 -12.232 -11.759 160 2HG2 THR 21 3HG2 THR 21 -11.077 -12.487 -10.091 161 3HG2 THR 21 2HG2 THR 21 -10.281 -13.786 -10.978 162 H ASP 22 H ASP 22 -15.073 -11.538 -12.883 163 HA ASP 22 HA ASP 22 -14.132 -8.976 -11.752 164 1HB ASP 22 2HB ASP 22 -16.221 -8.034 -12.770 165 2HB ASP 22 1HB ASP 22 -15.086 -8.686 -13.952 166 H GLY 23 H GLY 23 -14.926 -11.444 -10.246 167 1HA GLY 23 2HA GLY 23 -17.054 -10.177 -8.629 168 2HA GLY 23 1HA GLY 23 -17.128 -11.888 -9.023 169 H THR 24 H THR 24 -13.900 -11.023 -8.597 170 HA THR 24 HA THR 24 -12.367 -11.385 -6.936 171 HB THR 24 HB THR 24 -14.425 -11.166 -4.794 172 HG1 THR 24 HG1 THR 24 -15.190 -9.538 -5.959 173 1HG2 THR 24 1HG2 THR 24 -11.592 -10.314 -5.300 174 2HG2 THR 24 3HG2 THR 24 -12.541 -9.500 -4.058 175 3HG2 THR 24 2HG2 THR 24 -12.251 -11.235 -3.949 176 H ASP 25 H ASP 25 -11.514 -13.220 -6.212 177 HA ASP 25 HA ASP 25 -13.239 -15.300 -5.077 178 1HB ASP 25 2HB ASP 25 -12.202 -17.030 -6.551 179 2HB ASP 25 1HB ASP 25 -13.231 -15.894 -7.424 180 H LEU 26 H LEU 26 -12.029 -14.537 -3.194 181 HA LEU 26 HA LEU 26 -9.436 -15.907 -2.985 182 1HB LEU 26 2HB LEU 26 -10.082 -13.206 -1.756 183 2HB LEU 26 1HB LEU 26 -8.543 -14.064 -1.665 184 HG LEU 26 HG LEU 26 -9.764 -13.339 -4.325 185 1HD1 LEU 26 2HD1 LEU 26 -9.426 -11.331 -2.737 186 2HD1 LEU 26 1HD1 LEU 26 -7.701 -11.657 -2.901 187 3HD1 LEU 26 3HD1 LEU 26 -8.661 -11.245 -4.324 188 1HD2 LEU 26 1HD2 LEU 26 -7.855 -15.017 -4.051 189 2HD2 LEU 26 3HD2 LEU 26 -7.531 -13.661 -5.131 190 3HD2 LEU 26 2HD2 LEU 26 -6.870 -13.664 -3.496 191 H SER 27 H SER 27 -9.192 -15.127 -0.176 192 HA SER 27 HA SER 27 -11.390 -16.741 0.941 193 1HB SER 27 2HB SER 27 -8.487 -16.580 1.702 194 2HB SER 27 1HB SER 27 -9.702 -17.228 2.801 195 HG SER 27 HG SER 27 -8.540 -18.371 0.653 196 H GLY 28 H GLY 28 -8.956 -14.749 2.511 197 1HA GLY 28 2HA GLY 28 -10.894 -13.594 4.300 198 2HA GLY 28 1HA GLY 28 -9.180 -13.189 4.220 199 H ASP 29 H ASP 29 -9.008 -11.053 3.911 200 HA ASP 29 HA ASP 29 -10.957 -9.416 2.688 201 1HB ASP 29 2HB ASP 29 -8.039 -9.026 3.321 202 2HB ASP 29 1HB ASP 29 -8.950 -7.793 2.449 203 H PHE 30 H PHE 30 -7.670 -9.776 1.378 204 HA PHE 30 HA PHE 30 -8.315 -10.993 -1.033 205 1HB PHE 30 2HB PHE 30 -9.023 -9.424 -2.509 206 2HB PHE 30 1HB PHE 30 -9.517 -8.547 -1.076 207 HD1 PHE 30 HD1 PHE 30 -6.880 -8.877 -3.649 208 HD2 PHE 30 HD2 PHE 30 -8.431 -6.481 -0.445 209 HE1 PHE 30 HE1 PHE 30 -5.410 -7.012 -4.332 210 HE2 PHE 30 HE2 PHE 30 -6.967 -4.624 -1.129 211 HZ PHE 30 HZ PHE 30 -5.452 -4.878 -3.064 212 H LEU 31 H LEU 31 -6.284 -8.658 0.636 213 HA LEU 31 HA LEU 31 -4.005 -8.937 -1.067 214 1HB LEU 31 2HB LEU 31 -4.242 -7.969 1.793 215 2HB LEU 31 1HB LEU 31 -2.805 -7.803 0.776 216 HG LEU 31 HG LEU 31 -5.506 -6.826 -0.130 217 1HD1 LEU 31 1HD1 LEU 31 -3.641 -5.615 1.835 218 2HD1 LEU 31 3HD1 LEU 31 -4.261 -4.539 0.581 219 3HD1 LEU 31 2HD1 LEU 31 -5.380 -5.394 1.643 220 1HD2 LEU 31 3HD2 LEU 31 -2.636 -6.236 -0.877 221 2HD2 LEU 31 2HD2 LEU 31 -3.857 -7.026 -1.872 222 3HD2 LEU 31 1HD2 LEU 31 -4.005 -5.314 -1.484 223 H ASP 32 H ASP 32 -3.641 -9.707 2.369 224 HA ASP 32 HA ASP 32 -2.384 -11.383 3.350 225 1HB ASP 32 2HB ASP 32 -4.661 -12.677 1.901 226 2HB ASP 32 1HB ASP 32 -3.497 -13.681 2.765 227 H LEU 33 H LEU 33 -0.801 -10.569 1.325 228 HA LEU 33 HA LEU 33 0.955 -11.230 -0.013 229 1HB LEU 33 2HB LEU 33 1.428 -12.690 1.950 230 2HB LEU 33 1HB LEU 33 0.444 -13.953 1.214 231 HG LEU 33 HG LEU 33 2.334 -13.006 -0.745 232 1HD1 LEU 33 1HD1 LEU 33 3.421 -12.563 1.713 233 2HD1 LEU 33 3HD1 LEU 33 3.899 -14.240 1.447 234 3HD1 LEU 33 2HD1 LEU 33 4.367 -12.996 0.288 235 1HD2 LEU 33 2HD2 LEU 33 1.533 -15.533 0.599 236 2HD2 LEU 33 1HD2 LEU 33 1.734 -15.189 -1.119 237 3HD2 LEU 33 3HD2 LEU 33 3.145 -15.523 -0.116 238 H ARG 34 H ARG 34 -1.321 -10.980 -1.381 239 HA ARG 34 HA ARG 34 -2.176 -13.296 -2.793 240 1HB ARG 34 2HB ARG 34 -3.445 -11.098 -2.535 241 2HB ARG 34 1HB ARG 34 -2.375 -10.447 -3.770 242 1HG ARG 34 2HG ARG 34 -4.559 -11.287 -4.673 243 2HG ARG 34 1HG ARG 34 -3.148 -12.043 -5.400 244 1HD ARG 34 2HD ARG 34 -5.133 -13.566 -4.691 245 2HD ARG 34 1HD ARG 34 -3.502 -14.080 -4.284 246 HE ARG 34 HE ARG 34 -4.759 -12.545 -2.187 247 1HH1 ARG 34 2HH1 ARG 34 -3.076 -15.317 -2.680 248 2HH1 ARG 34 1HH1 ARG 34 -4.032 -16.344 -1.666 249 1HH2 ARG 34 1HH2 ARG 34 -6.586 -14.030 -1.275 250 2HH2 ARG 34 2HH2 ARG 34 -6.019 -15.616 -0.870 251 H PHE 35 H PHE 35 0.493 -11.096 -3.216 252 HA PHE 35 HA PHE 35 1.012 -11.412 -5.955 253 1HB PHE 35 2HB PHE 35 2.616 -10.653 -3.575 254 2HB PHE 35 1HB PHE 35 3.525 -11.214 -4.977 255 HD1 PHE 35 HD1 PHE 35 0.380 -9.193 -4.588 256 HD2 PHE 35 HD2 PHE 35 4.368 -9.395 -6.189 257 HE1 PHE 35 HE1 PHE 35 0.065 -6.982 -5.669 258 HE2 PHE 35 HE2 PHE 35 4.042 -7.191 -7.261 259 HZ PHE 35 HZ PHE 35 1.904 -5.984 -6.999 260 H GLU 36 H GLU 36 2.476 -13.200 -3.229 261 HA GLU 36 HA GLU 36 3.492 -15.221 -5.065 262 1HB GLU 36 2HB GLU 36 3.729 -14.845 -2.076 263 2HB GLU 36 1HB GLU 36 4.374 -16.254 -2.920 264 1HG GLU 36 2HG GLU 36 5.074 -13.389 -3.622 265 2HG GLU 36 1HG GLU 36 6.066 -14.428 -2.597 266 H ASP 37 H ASP 37 1.222 -15.734 -5.712 267 HA ASP 37 HA ASP 37 0.160 -17.870 -3.973 268 1HB ASP 37 2HB ASP 37 -1.271 -15.792 -3.868 269 2HB ASP 37 1HB ASP 37 -1.569 -15.991 -5.596 270 H ILE 38 H ILE 38 0.110 -16.423 -7.216 271 HA ILE 38 HA ILE 38 -0.508 -19.018 -8.414 272 HB ILE 38 HB ILE 38 -0.742 -17.792 -10.505 273 1HG1 ILE 38 2HG1 ILE 38 0.043 -15.286 -8.987 274 2HG1 ILE 38 1HG1 ILE 38 1.177 -16.177 -10.001 275 1HG2 ILE 38 1HG2 ILE 38 -2.432 -17.634 -8.453 276 2HG2 ILE 38 3HG2 ILE 38 -1.988 -15.928 -8.527 277 3HG2 ILE 38 2HG2 ILE 38 -2.709 -16.713 -9.933 278 1HD1 ILE 38 1HD1 ILE 38 -0.472 -15.944 -11.901 279 2HD1 ILE 38 3HD1 ILE 38 -1.407 -14.860 -10.871 280 3HD1 ILE 38 2HD1 ILE 38 0.230 -14.421 -11.356 281 H GLY 39 H GLY 39 2.138 -16.777 -8.020 282 1HA GLY 39 2HA GLY 39 4.360 -18.008 -8.027 283 2HA GLY 39 1HA GLY 39 3.889 -18.517 -9.647 284 H TYR 40 H TYR 40 3.541 -15.380 -8.008 285 HA TYR 40 HA TYR 40 4.270 -13.873 -10.291 286 1HB TYR 40 2HB TYR 40 3.830 -13.273 -7.402 287 2HB TYR 40 1HB TYR 40 4.713 -12.087 -8.361 288 HD1 TYR 40 HD2 TYR 40 1.587 -14.176 -8.451 289 HD2 TYR 40 HD1 TYR 40 3.546 -10.546 -9.667 290 HE1 TYR 40 HE2 TYR 40 -0.536 -13.353 -9.431 291 HE2 TYR 40 HE1 TYR 40 1.419 -9.729 -10.646 292 HH TYR 40 HH TYR 40 -1.588 -11.254 -10.038 293 H ASP 41 H ASP 41 6.153 -12.692 -10.730 294 HA ASP 41 HA ASP 41 8.575 -13.772 -9.420 295 1HB ASP 41 2HB ASP 41 9.617 -12.722 -11.667 296 2HB ASP 41 1HB ASP 41 9.039 -14.381 -11.574 297 H SER 42 H SER 42 8.134 -10.900 -11.473 298 HA SER 42 HA SER 42 8.103 -8.904 -9.554 299 1HB SER 42 2HB SER 42 10.563 -8.198 -9.649 300 2HB SER 42 1HB SER 42 10.181 -9.572 -8.615 301 HG SER 42 HG SER 42 11.618 -10.564 -9.784 302 H LEU 43 H LEU 43 9.482 -9.978 -12.607 303 HA LEU 43 HA LEU 43 9.821 -7.423 -13.784 304 1HB LEU 43 2HB LEU 43 10.332 -10.058 -14.533 305 2HB LEU 43 1HB LEU 43 9.119 -9.524 -15.693 306 HG LEU 43 HG LEU 43 11.377 -9.034 -16.527 307 1HD1 LEU 43 1HD1 LEU 43 9.415 -7.451 -16.915 308 2HD1 LEU 43 3HD1 LEU 43 10.106 -6.432 -15.653 309 3HD1 LEU 43 2HD1 LEU 43 11.019 -6.750 -17.127 310 1HD2 LEU 43 3HD2 LEU 43 11.709 -8.049 -13.772 311 2HD2 LEU 43 2HD2 LEU 43 12.922 -8.612 -14.918 312 3HD2 LEU 43 1HD2 LEU 43 12.346 -6.948 -14.994 313 H ALA 44 H ALA 44 7.036 -9.495 -13.379 314 HA ALA 44 HA ALA 44 5.407 -8.189 -15.353 315 1HB ALA 44 3HB ALA 44 4.948 -10.497 -14.649 316 2HB ALA 44 2HB ALA 44 4.602 -9.932 -13.013 317 3HB ALA 44 1HB ALA 44 3.555 -9.456 -14.351 318 H LEU 45 H LEU 45 5.035 -8.325 -11.804 319 HA LEU 45 HA LEU 45 3.201 -6.227 -11.604 320 1HB LEU 45 2HB LEU 45 3.974 -6.065 -9.208 321 2HB LEU 45 1HB LEU 45 3.479 -7.673 -9.730 322 HG LEU 45 HG LEU 45 6.217 -7.542 -10.357 323 1HD1 LEU 45 3HD1 LEU 45 5.537 -6.029 -7.867 324 2HD1 LEU 45 2HD1 LEU 45 6.962 -7.067 -7.855 325 3HD1 LEU 45 1HD1 LEU 45 6.839 -5.750 -9.024 326 1HD2 LEU 45 3HD2 LEU 45 4.448 -8.932 -8.427 327 2HD2 LEU 45 2HD2 LEU 45 5.638 -9.599 -9.542 328 3HD2 LEU 45 1HD2 LEU 45 6.159 -8.923 -8.000 329 H MET 46 H MET 46 6.640 -6.111 -12.069 330 HA MET 46 HA MET 46 6.995 -3.422 -11.111 331 1HB MET 46 2HB MET 46 8.854 -5.092 -11.248 332 2HB MET 46 1HB MET 46 8.768 -4.980 -13.006 333 1HG MET 46 2HG MET 46 10.388 -3.381 -12.606 334 2HG MET 46 1HG MET 46 8.950 -2.368 -12.480 335 1HE MET 46 2HE MET 46 8.485 -1.003 -10.998 336 2HE MET 46 1HE MET 46 7.739 -1.985 -9.740 337 3HE MET 46 3HE MET 46 9.011 -0.828 -9.325 338 H GLU 47 H GLU 47 6.397 -4.943 -14.242 339 HA GLU 47 HA GLU 47 6.825 -2.683 -15.875 340 1HB GLU 47 2HB GLU 47 6.341 -5.214 -16.474 341 2HB GLU 47 1HB GLU 47 4.675 -4.644 -16.564 342 1HG GLU 47 2HG GLU 47 5.236 -3.005 -18.229 343 2HG GLU 47 1HG GLU 47 6.963 -3.281 -18.003 344 H THR 48 H THR 48 3.854 -3.944 -14.380 345 HA THR 48 HA THR 48 2.089 -1.982 -15.363 346 HB THR 48 HB THR 48 1.824 -3.311 -12.666 347 HG1 THR 48 HG1 THR 48 1.247 -5.121 -13.665 348 1HG2 THR 48 1HG2 THR 48 -0.091 -2.251 -14.752 349 2HG2 THR 48 3HG2 THR 48 -0.605 -3.287 -13.421 350 3HG2 THR 48 2HG2 THR 48 0.102 -1.706 -13.086 351 H ALA 49 H ALA 49 3.733 -2.188 -12.205 352 HA ALA 49 HA ALA 49 2.855 0.267 -11.174 353 1HB ALA 49 1HB ALA 49 5.425 -1.242 -10.657 354 2HB ALA 49 3HB ALA 49 4.871 0.136 -9.705 355 3HB ALA 49 2HB ALA 49 3.926 -1.353 -9.733 356 H ALA 50 H ALA 50 5.236 -0.424 -13.603 357 HA ALA 50 HA ALA 50 6.731 2.003 -13.360 358 1HB ALA 50 1HB ALA 50 7.619 -0.020 -14.490 359 2HB ALA 50 3HB ALA 50 6.421 0.194 -15.768 360 3HB ALA 50 2HB ALA 50 7.679 1.406 -15.525 361 H ARG 51 H ARG 51 4.182 0.920 -15.608 362 HA ARG 51 HA ARG 51 3.989 3.286 -17.106 363 1HB ARG 51 2HB ARG 51 2.114 1.019 -16.546 364 2HB ARG 51 1HB ARG 51 1.512 2.451 -17.381 365 1HG ARG 51 2HG ARG 51 4.025 1.018 -18.260 366 2HG ARG 51 1HG ARG 51 2.429 0.573 -18.868 367 1HD ARG 51 2HD ARG 51 2.182 2.526 -20.060 368 2HD ARG 51 1HD ARG 51 3.157 3.463 -18.932 369 HE ARG 51 HE ARG 51 4.460 1.495 -20.710 370 1HH1 ARG 51 1HH2 ARG 51 5.749 3.646 -18.836 371 2HH1 ARG 51 2HH2 ARG 51 6.306 4.785 -20.017 372 1HH2 ARG 51 2HH1 ARG 51 4.405 3.446 -22.590 373 2HH2 ARG 51 1HH1 ARG 51 5.545 4.672 -22.142 374 H LEU 52 H LEU 52 2.360 2.303 -14.119 375 HA LEU 52 HA LEU 52 0.737 4.679 -13.980 376 1HB LEU 52 2HB LEU 52 1.275 2.363 -12.156 377 2HB LEU 52 1HB LEU 52 0.501 3.813 -11.515 378 HG LEU 52 HG LEU 52 -0.564 2.766 -14.089 379 1HD1 LEU 52 3HD1 LEU 52 -0.222 0.705 -12.757 380 2HD1 LEU 52 2HD1 LEU 52 -1.114 1.430 -11.420 381 3HD1 LEU 52 1HD1 LEU 52 -1.936 1.078 -12.939 382 1HD2 LEU 52 3HD2 LEU 52 -1.302 4.751 -12.418 383 2HD2 LEU 52 2HD2 LEU 52 -2.465 3.868 -13.407 384 3HD2 LEU 52 1HD2 LEU 52 -2.237 3.431 -11.714 385 H GLU 53 H GLU 53 3.967 3.852 -13.048 386 HA GLU 53 HA GLU 53 4.420 5.514 -10.863 387 1HB GLU 53 2HB GLU 53 6.015 3.844 -12.016 388 2HB GLU 53 1HB GLU 53 6.446 5.195 -13.064 389 1HG GLU 53 2HG GLU 53 6.403 5.842 -10.179 390 2HG GLU 53 1HG GLU 53 7.636 4.674 -10.651 391 H SER 54 H SER 54 3.872 6.365 -14.187 392 HA SER 54 HA SER 54 5.097 8.945 -14.123 393 1HB SER 54 2HB SER 54 2.786 8.193 -15.900 394 2HB SER 54 1HB SER 54 4.104 9.314 -16.229 395 HG SER 54 HG SER 54 4.005 6.822 -16.906 396 H ARG 55 H ARG 55 1.791 7.772 -13.607 397 HA ARG 55 HA ARG 55 0.523 10.263 -13.344 398 1HB ARG 55 2HB ARG 55 -0.697 8.128 -13.576 399 2HB ARG 55 1HB ARG 55 -0.184 7.663 -11.956 400 1HG ARG 55 2HG ARG 55 -1.556 9.236 -10.922 401 2HG ARG 55 1HG ARG 55 -1.584 10.291 -12.337 402 1HD ARG 55 2HD ARG 55 -3.095 8.863 -13.497 403 2HD ARG 55 1HD ARG 55 -2.843 7.546 -12.358 404 HE ARG 55 HE ARG 55 -4.264 8.655 -10.817 405 1HH1 ARG 55 1HH2 ARG 55 -3.406 11.501 -11.546 406 2HH1 ARG 55 2HH2 ARG 55 -4.862 12.129 -12.244 407 1HH2 ARG 55 2HH1 ARG 55 -6.311 9.008 -12.677 408 2HH2 ARG 55 1HH1 ARG 55 -6.508 10.716 -12.885 409 H TYR 56 H TYR 56 1.172 8.084 -10.598 410 HA TYR 56 HA TYR 56 0.925 10.070 -8.631 411 1HB TYR 56 2HB TYR 56 2.644 7.601 -8.349 412 2HB TYR 56 1HB TYR 56 1.801 8.484 -7.077 413 HD1 TYR 56 HD1 TYR 56 -0.833 8.738 -7.472 414 HD2 TYR 56 HD2 TYR 56 1.639 5.681 -9.206 415 HE1 TYR 56 HE1 TYR 56 -2.835 7.318 -7.826 416 HE2 TYR 56 HE2 TYR 56 -0.364 4.262 -9.558 417 HH TYR 56 HH TYR 56 -2.600 3.998 -8.729 418 H GLY 57 H GLY 57 3.609 9.225 -10.680 419 1HA GLY 57 2HA GLY 57 5.690 10.178 -10.945 420 2HA GLY 57 1HA GLY 57 5.063 11.564 -10.061 421 H VAL 58 H VAL 58 5.078 8.353 -8.681 422 HA VAL 58 HA VAL 58 6.776 9.278 -6.514 423 HB VAL 58 HB VAL 58 4.741 7.986 -6.019 424 1HG1 VAL 58 2HG1 VAL 58 5.465 6.466 -8.227 425 2HG1 VAL 58 1HG1 VAL 58 5.801 5.390 -6.873 426 3HG1 VAL 58 3HG1 VAL 58 4.187 6.069 -7.080 427 1HG2 VAL 58 3HG2 VAL 58 6.928 7.822 -4.650 428 2HG2 VAL 58 2HG2 VAL 58 5.692 6.595 -4.371 429 3HG2 VAL 58 1HG2 VAL 58 7.095 6.221 -5.372 430 H SER 59 H SER 59 8.579 7.957 -5.757 431 HA SER 59 HA SER 59 10.500 7.481 -7.756 432 1HB SER 59 2HB SER 59 10.385 6.550 -4.882 433 2HB SER 59 1HB SER 59 11.789 6.337 -5.924 434 HG SER 59 HG SER 59 11.365 8.381 -4.487 435 H ILE 60 H ILE 60 11.666 5.352 -8.021 436 HA ILE 60 HA ILE 60 9.774 3.087 -8.021 437 HB ILE 60 HB ILE 60 9.818 4.040 -10.278 438 1HG1 ILE 60 2HG1 ILE 60 11.501 1.584 -10.559 439 2HG1 ILE 60 1HG1 ILE 60 9.975 1.442 -9.685 440 1HG2 ILE 60 2HG2 ILE 60 12.376 4.752 -9.786 441 2HG2 ILE 60 1HG2 ILE 60 12.653 3.283 -10.721 442 3HG2 ILE 60 3HG2 ILE 60 11.717 4.606 -11.415 443 1HD1 ILE 60 3HD1 ILE 60 8.896 2.644 -11.672 444 2HD1 ILE 60 2HD1 ILE 60 10.405 2.354 -12.535 445 3HD1 ILE 60 1HD1 ILE 60 9.441 0.992 -11.965 446 HA PRO 61 HA PRO 61 13.720 1.659 -6.192 447 1HB PRO 61 2HB PRO 61 12.583 0.067 -4.287 448 2HB PRO 61 1HB PRO 61 12.855 1.804 -4.079 449 1HG PRO 61 2HG PRO 61 10.326 0.344 -4.558 450 2HG PRO 61 1HG PRO 61 10.596 1.900 -3.760 451 1HD PRO 61 2HD PRO 61 9.655 1.503 -6.410 452 2HD PRO 61 1HD PRO 61 10.173 3.045 -5.689 453 H ASP 62 H ASP 62 14.819 -0.277 -6.509 454 HA ASP 62 HA ASP 62 13.383 -2.294 -8.100 455 1HB ASP 62 2HB ASP 62 16.254 -1.470 -7.871 456 2HB ASP 62 1HB ASP 62 15.854 -3.085 -8.455 457 H ASP 63 H ASP 63 14.953 -1.854 -5.028 458 HA ASP 63 HA ASP 63 15.434 -4.644 -4.533 459 1HB ASP 63 2HB ASP 63 15.354 -2.251 -2.688 460 2HB ASP 63 1HB ASP 63 15.774 -3.882 -2.163 461 H VAL 64 H VAL 64 13.355 -2.456 -2.650 462 HA VAL 64 HA VAL 64 11.768 -4.502 -1.566 463 HB VAL 64 HB VAL 64 11.920 -2.239 -0.599 464 1HG1 VAL 64 3HG1 VAL 64 11.836 -1.064 -2.836 465 2HG1 VAL 64 2HG1 VAL 64 10.098 -1.361 -2.847 466 3HG1 VAL 64 1HG1 VAL 64 10.812 -0.352 -1.589 467 1HG2 VAL 64 2HG2 VAL 64 9.153 -3.197 -1.376 468 2HG2 VAL 64 1HG2 VAL 64 10.037 -3.570 0.104 469 3HG2 VAL 64 3HG2 VAL 64 9.441 -1.935 -0.179 470 H ALA 65 H ALA 65 11.210 -2.409 -4.378 471 HA ALA 65 HA ALA 65 8.628 -3.464 -4.975 472 1HB ALA 65 2HB ALA 65 9.975 -1.288 -5.837 473 2HB ALA 65 1HB ALA 65 10.251 -2.371 -7.201 474 3HB ALA 65 3HB ALA 65 8.605 -1.981 -6.704 475 H GLY 66 H GLY 66 11.870 -4.093 -6.299 476 1HA GLY 66 2HA GLY 66 11.099 -5.969 -8.251 477 2HA GLY 66 1HA GLY 66 12.699 -5.853 -7.531 478 H ARG 67 H ARG 67 11.350 -6.272 -4.798 479 HA ARG 67 HA ARG 67 10.939 -9.190 -5.070 480 1HB ARG 67 2HB ARG 67 12.584 -7.647 -3.076 481 2HB ARG 67 1HB ARG 67 11.970 -9.258 -2.704 482 1HG ARG 67 2HG ARG 67 13.005 -9.995 -4.935 483 2HG ARG 67 1HG ARG 67 13.860 -8.452 -4.921 484 1HD ARG 67 2HD ARG 67 15.131 -9.017 -3.063 485 2HD ARG 67 1HD ARG 67 13.940 -10.167 -2.468 486 HE ARG 67 HE ARG 67 14.707 -11.490 -4.597 487 1HH1 ARG 67 1HH2 ARG 67 16.323 -10.701 -1.791 488 2HH1 ARG 67 2HH2 ARG 67 17.916 -11.060 -2.368 489 1HH2 ARG 67 2HH1 ARG 67 16.921 -11.446 -5.667 490 2HH2 ARG 67 1HH1 ARG 67 18.255 -11.481 -4.561 491 H VAL 68 H VAL 68 8.832 -7.286 -5.071 492 HA VAL 68 HA VAL 68 7.722 -7.186 -2.395 493 HB VAL 68 HB VAL 68 7.248 -5.365 -3.979 494 1HG1 VAL 68 3HG1 VAL 68 7.022 -7.307 -5.883 495 2HG1 VAL 68 2HG1 VAL 68 5.328 -6.960 -5.559 496 3HG1 VAL 68 1HG1 VAL 68 6.405 -5.665 -6.073 497 1HG2 VAL 68 1HG2 VAL 68 5.464 -6.565 -2.268 498 2HG2 VAL 68 3HG2 VAL 68 5.173 -5.038 -3.102 499 3HG2 VAL 68 2HG2 VAL 68 4.549 -6.544 -3.776 500 H ASP 69 H ASP 69 7.376 -9.209 -1.629 501 HA ASP 69 HA ASP 69 6.038 -11.216 -3.258 502 1HB ASP 69 2HB ASP 69 7.180 -11.210 -0.471 503 2HB ASP 69 1HB ASP 69 6.218 -12.557 -1.079 504 H THR 70 H THR 70 4.819 -8.596 -1.793 505 HA THR 70 HA THR 70 2.288 -9.967 -1.197 506 HB THR 70 HB THR 70 2.096 -8.155 0.709 507 HG1 THR 70 HG1 THR 70 4.216 -7.959 1.681 508 1HG2 THR 70 2HG2 THR 70 3.361 -10.855 0.672 509 2HG2 THR 70 1HG2 THR 70 3.480 -9.924 2.166 510 3HG2 THR 70 3HG2 THR 70 1.898 -10.309 1.491 511 HA PRO 71 HA PRO 71 0.730 -6.545 -3.524 512 1HB PRO 71 2HB PRO 71 -1.890 -6.601 -2.778 513 2HB PRO 71 1HB PRO 71 -1.157 -7.793 -3.859 514 1HG PRO 71 2HG PRO 71 -1.957 -8.078 -1.019 515 2HG PRO 71 1HG PRO 71 -1.844 -9.302 -2.286 516 1HD PRO 71 2HD PRO 71 0.046 -8.846 -0.230 517 2HD PRO 71 1HD PRO 71 0.284 -9.863 -1.670 518 H ARG 72 H ARG 72 -0.683 -6.598 -0.246 519 HA ARG 72 HA ARG 72 -1.286 -3.896 0.025 520 1HB ARG 72 2HB ARG 72 -1.686 -5.900 1.655 521 2HB ARG 72 1HB ARG 72 -0.142 -5.405 2.352 522 1HG ARG 72 2HG ARG 72 -1.203 -3.003 2.308 523 2HG ARG 72 1HG ARG 72 -2.730 -3.881 2.219 524 1HD ARG 72 2HD ARG 72 -1.737 -5.258 4.218 525 2HD ARG 72 1HD ARG 72 -0.684 -3.863 4.418 526 HE ARG 72 HE ARG 72 -2.604 -2.543 4.944 527 1HH1 ARG 72 1HH2 ARG 72 -4.679 -3.892 3.258 528 2HH1 ARG 72 2HH2 ARG 72 -5.639 -4.725 4.434 529 1HH2 ARG 72 2HH1 ARG 72 -3.254 -4.483 6.941 530 2HH2 ARG 72 1HH1 ARG 72 -4.833 -5.061 6.520 531 H GLU 73 H GLU 73 1.835 -5.439 0.046 532 HA GLU 73 HA GLU 73 3.311 -3.461 1.440 533 1HB GLU 73 2HB GLU 73 3.946 -5.720 -0.389 534 2HB GLU 73 1HB GLU 73 5.174 -4.467 -0.214 535 1HG GLU 73 2HG GLU 73 3.846 -5.888 2.109 536 2HG GLU 73 1HG GLU 73 5.420 -6.325 1.443 537 H LEU 74 H LEU 74 2.889 -4.036 -2.057 538 HA LEU 74 HA LEU 74 4.357 -1.856 -2.992 539 1HB LEU 74 2HB LEU 74 2.376 -3.711 -4.092 540 2HB LEU 74 1HB LEU 74 2.312 -2.121 -4.850 541 HG LEU 74 HG LEU 74 5.025 -3.253 -4.417 542 1HD1 LEU 74 2HD1 LEU 74 3.013 -4.404 -6.362 543 2HD1 LEU 74 1HD1 LEU 74 4.753 -4.553 -6.601 544 3HD1 LEU 74 3HD1 LEU 74 3.992 -5.271 -5.182 545 1HD2 LEU 74 1HD2 LEU 74 3.576 -1.759 -6.621 546 2HD2 LEU 74 3HD2 LEU 74 4.819 -1.132 -5.537 547 3HD2 LEU 74 2HD2 LEU 74 5.243 -2.317 -6.772 548 H LEU 75 H LEU 75 0.895 -2.036 -2.173 549 HA LEU 75 HA LEU 75 0.144 0.546 -2.957 550 1HB LEU 75 2HB LEU 75 -1.466 -1.201 -2.239 551 2HB LEU 75 1HB LEU 75 -0.903 -1.017 -0.579 552 HG LEU 75 HG LEU 75 -1.475 1.544 -1.017 553 1HD1 LEU 75 3HD1 LEU 75 -2.113 0.751 -3.462 554 2HD1 LEU 75 2HD1 LEU 75 -3.641 0.334 -2.687 555 3HD1 LEU 75 1HD1 LEU 75 -3.058 1.996 -2.645 556 1HD2 LEU 75 1HD2 LEU 75 -3.311 -0.740 -0.331 557 2HD2 LEU 75 3HD2 LEU 75 -2.596 0.467 0.739 558 3HD2 LEU 75 2HD2 LEU 75 -3.916 0.917 -0.341 559 H ASP 76 H ASP 76 1.176 -0.562 0.271 560 HA ASP 76 HA ASP 76 1.179 1.991 1.474 561 1HB ASP 76 2HB ASP 76 1.271 -0.318 2.604 562 2HB ASP 76 1HB ASP 76 3.009 -0.248 2.315 563 H LEU 77 H LEU 77 3.426 0.511 -0.700 564 HA LEU 77 HA LEU 77 5.765 1.926 0.114 565 1HB LEU 77 2HB LEU 77 5.669 -0.154 -1.362 566 2HB LEU 77 1HB LEU 77 5.211 0.927 -2.679 567 HG LEU 77 HG LEU 77 7.568 1.747 -1.063 568 1HD1 LEU 77 2HD1 LEU 77 7.398 -0.802 -2.591 569 2HD1 LEU 77 1HD1 LEU 77 8.837 0.184 -2.853 570 3HD1 LEU 77 3HD1 LEU 77 8.433 -0.373 -1.229 571 1HD2 LEU 77 3HD2 LEU 77 6.868 1.679 -4.016 572 2HD2 LEU 77 2HD2 LEU 77 6.840 3.092 -2.960 573 3HD2 LEU 77 1HD2 LEU 77 8.375 2.328 -3.369 574 H ILE 78 H ILE 78 3.705 2.370 -2.768 575 HA ILE 78 HA ILE 78 4.804 4.865 -3.506 576 HB ILE 78 HB ILE 78 2.052 3.733 -4.092 577 1HG1 ILE 78 2HG1 ILE 78 3.546 3.486 -6.373 578 2HG1 ILE 78 1HG1 ILE 78 4.776 3.222 -5.139 579 1HG2 ILE 78 1HG2 ILE 78 3.537 6.152 -5.032 580 2HG2 ILE 78 3HG2 ILE 78 2.567 5.267 -6.210 581 3HG2 ILE 78 2HG2 ILE 78 1.808 5.931 -4.763 582 1HD1 ILE 78 2HD1 ILE 78 2.324 1.794 -4.489 583 2HD1 ILE 78 1HD1 ILE 78 2.929 1.336 -6.081 584 3HD1 ILE 78 3HD1 ILE 78 3.966 1.172 -4.664 585 H ASN 79 H ASN 79 2.195 3.975 -1.365 586 HA ASN 79 HA ASN 79 0.890 6.407 -1.017 587 1HB ASN 79 2HB ASN 79 0.627 3.917 0.065 588 2HB ASN 79 1HB ASN 79 1.253 4.812 1.446 589 1HD2 ASN 79 2HD2 ASN 79 -2.552 5.430 0.208 590 2HD2 ASN 79 1HD2 ASN 79 -1.544 4.295 -0.555 591 H GLY 80 H GLY 80 3.470 5.060 1.058 592 1HA GLY 80 2HA GLY 80 3.806 7.342 2.666 593 2HA GLY 80 1HA GLY 80 5.010 6.079 2.434 594 H ALA 81 H ALA 81 5.667 6.275 -0.185 595 HA ALA 81 HA ALA 81 7.483 8.408 -0.262 596 1HB ALA 81 2HB ALA 81 6.375 6.637 -2.437 597 2HB ALA 81 1HB ALA 81 7.602 7.864 -2.752 598 3HB ALA 81 3HB ALA 81 7.946 6.537 -1.643 599 H LEU 82 H LEU 82 4.118 8.326 -1.083 600 HA LEU 82 HA LEU 82 4.246 10.715 -2.741 601 1HB LEU 82 2HB LEU 82 2.585 8.716 -2.969 602 2HB LEU 82 1HB LEU 82 1.701 9.530 -1.678 603 HG LEU 82 HG LEU 82 1.738 11.627 -3.059 604 1HD1 LEU 82 2HD1 LEU 82 3.140 9.736 -4.928 605 2HD1 LEU 82 1HD1 LEU 82 2.152 11.039 -5.589 606 3HD1 LEU 82 3HD1 LEU 82 3.525 11.415 -4.549 607 1HD2 LEU 82 2HD2 LEU 82 -0.011 9.573 -3.140 608 2HD2 LEU 82 1HD2 LEU 82 -0.208 11.021 -4.128 609 3HD2 LEU 82 3HD2 LEU 82 0.506 9.568 -4.828 610 H ALA 83 H ALA 83 3.487 9.817 0.554 611 HA ALA 83 HA ALA 83 2.172 12.241 1.288 612 1HB ALA 83 1HB ALA 83 2.055 10.056 2.555 613 2HB ALA 83 3HB ALA 83 3.691 10.382 3.126 614 3HB ALA 83 2HB ALA 83 2.374 11.476 3.551 615 H GLU 84 H GLU 84 5.521 11.138 1.355 616 HA GLU 84 HA GLU 84 6.497 13.446 2.766 617 1HB GLU 84 2HB GLU 84 7.553 10.929 1.912 618 2HB GLU 84 1HB GLU 84 8.595 12.196 1.270 619 1HG GLU 84 2HG GLU 84 9.526 11.896 3.379 620 2HG GLU 84 1HG GLU 84 8.370 13.185 3.713 621 H ALA 85 H ALA 85 5.993 12.565 -0.582 622 HA ALA 85 HA ALA 85 7.402 14.982 -1.490 623 1HB ALA 85 2HB ALA 85 7.767 12.731 -2.614 624 2HB ALA 85 1HB ALA 85 6.116 12.870 -3.222 625 3HB ALA 85 3HB ALA 85 7.330 14.061 -3.686 626 H ALA 86 HN ALA 86 4.867 15.127 -0.040 627 HA ALA 86 HA ALA 86 2.897 16.307 -0.137 628 1HB ALA 86 2HB ALA 86 4.408 17.961 -1.323 629 2HB ALA 86 1HB ALA 86 3.817 17.289 -2.842 630 3HB ALA 86 3HB ALA 86 2.696 18.076 -1.732 No H/Q in entry = 630 Start of MODEL 15 1 1H MET 1 2H MET 1 -3.577 15.458 6.357 2 2H MET 1 1H MET 1 -4.692 14.955 7.537 3 3H MET 1 3H MET 1 -3.050 14.563 7.701 4 HA MET 1 HA MET 1 -4.163 12.613 6.964 5 1HB MET 1 2HB MET 1 -5.411 12.696 4.777 6 2HB MET 1 1HB MET 1 -6.183 13.607 6.074 7 1HG MET 1 2HG MET 1 -5.607 15.668 5.155 8 2HG MET 1 1HG MET 1 -4.235 15.003 4.267 9 1HE MET 1 2HE MET 1 -4.406 15.959 2.483 10 2HE MET 1 1HE MET 1 -4.863 14.841 1.202 11 3HE MET 1 3HE MET 1 -5.807 16.312 1.475 12 H ALA 2 H ALA 2 -3.025 11.193 5.682 13 HA ALA 2 HA ALA 2 -1.290 12.215 3.565 14 1HB ALA 2 1HB ALA 2 -0.292 11.124 6.176 15 2HB ALA 2 3HB ALA 2 0.633 10.848 4.699 16 3HB ALA 2 2HB ALA 2 0.304 12.495 5.241 17 H THR 3 H THR 3 -3.583 10.460 3.654 18 HA THR 3 HA THR 3 -2.315 8.019 2.575 19 HB THR 3 HB THR 3 -4.966 7.787 3.928 20 HG1 THR 3 HG1 THR 3 -2.446 7.875 5.224 21 1HG2 THR 3 2HG2 THR 3 -2.547 6.022 3.496 22 2HG2 THR 3 1HG2 THR 3 -3.924 5.545 4.489 23 3HG2 THR 3 3HG2 THR 3 -4.145 5.853 2.767 24 H LEU 4 H LEU 4 -2.651 8.329 0.449 25 HA LEU 4 HA LEU 4 -5.386 9.034 -0.428 26 1HB LEU 4 2HB LEU 4 -4.291 9.711 -2.579 27 2HB LEU 4 1HB LEU 4 -3.807 10.686 -1.192 28 HG LEU 4 HG LEU 4 -2.158 8.273 -1.704 29 1HD1 LEU 4 3HD1 LEU 4 -2.570 10.425 -3.710 30 2HD1 LEU 4 2HD1 LEU 4 -0.894 9.992 -3.374 31 3HD1 LEU 4 1HD1 LEU 4 -2.027 8.763 -3.938 32 1HD2 LEU 4 2HD2 LEU 4 -1.906 11.026 -0.618 33 2HD2 LEU 4 1HD2 LEU 4 -1.154 9.528 -0.070 34 3HD2 LEU 4 3HD2 LEU 4 -0.480 10.401 -1.445 35 H LEU 5 H LEU 5 -2.821 6.680 -0.636 36 HA LEU 5 HA LEU 5 -4.120 5.239 -2.820 37 1HB LEU 5 2HB LEU 5 -1.465 5.373 -1.759 38 2HB LEU 5 1HB LEU 5 -2.015 3.706 -1.623 39 HG LEU 5 HG LEU 5 -0.914 4.102 -3.793 40 1HD1 LEU 5 1HD1 LEU 5 -3.749 3.302 -3.530 41 2HD1 LEU 5 3HD1 LEU 5 -3.231 3.681 -5.172 42 3HD1 LEU 5 2HD1 LEU 5 -2.393 2.435 -4.249 43 1HD2 LEU 5 3HD2 LEU 5 -1.933 6.592 -3.713 44 2HD2 LEU 5 2HD2 LEU 5 -1.465 5.817 -5.227 45 3HD2 LEU 5 1HD2 LEU 5 -3.157 5.830 -4.730 46 H THR 6 H THR 6 -6.035 4.460 -2.025 47 HA THR 6 HA THR 6 -6.061 2.986 0.497 48 HB THR 6 HB THR 6 -8.546 2.653 -0.300 49 HG1 THR 6 HG1 THR 6 -8.455 3.419 -2.331 50 1HG2 THR 6 2HG2 THR 6 -7.169 5.077 0.790 51 2HG2 THR 6 1HG2 THR 6 -8.893 5.175 0.430 52 3HG2 THR 6 3HG2 THR 6 -8.299 3.981 1.584 53 H THR 7 H THR 7 -7.086 0.852 0.585 54 HA THR 7 HA THR 7 -5.780 -1.087 -0.907 55 HB THR 7 HB THR 7 -8.510 -1.370 0.372 56 HG1 THR 7 HG1 THR 7 -7.168 -2.112 2.146 57 1HG2 THR 7 2HG2 THR 7 -6.528 -3.238 -0.799 58 2HG2 THR 7 1HG2 THR 7 -7.228 -3.723 0.745 59 3HG2 THR 7 3HG2 THR 7 -8.277 -3.404 -0.636 60 H ASP 8 H ASP 8 -8.901 0.448 -1.489 61 HA ASP 8 HA ASP 8 -9.886 -1.153 -3.553 62 1HB ASP 8 2HB ASP 8 -10.145 1.836 -3.143 63 2HB ASP 8 1HB ASP 8 -11.075 0.917 -4.327 64 H ASP 9 H ASP 9 -7.715 1.657 -3.712 65 HA ASP 9 HA ASP 9 -7.420 1.714 -6.526 66 1HB ASP 9 2HB ASP 9 -6.667 3.464 -4.761 67 2HB ASP 9 1HB ASP 9 -5.206 2.483 -4.638 68 H LEU 10 H LEU 10 -5.876 -0.126 -3.976 69 HA LEU 10 HA LEU 10 -3.651 -1.165 -5.316 70 1HB LEU 10 2HB LEU 10 -4.574 -1.464 -2.834 71 2HB LEU 10 1HB LEU 10 -5.223 -2.953 -3.514 72 HG LEU 10 HG LEU 10 -2.313 -2.096 -3.618 73 1HD1 LEU 10 1HD1 LEU 10 -3.374 -2.865 -1.383 74 2HD1 LEU 10 3HD1 LEU 10 -3.483 -4.453 -2.142 75 3HD1 LEU 10 2HD1 LEU 10 -1.910 -3.687 -1.917 76 1HD2 LEU 10 3HD2 LEU 10 -3.826 -4.491 -4.678 77 2HD2 LEU 10 2HD2 LEU 10 -2.704 -3.438 -5.541 78 3HD2 LEU 10 1HD2 LEU 10 -2.097 -4.573 -4.335 79 H ARG 11 H ARG 11 -6.924 -2.539 -5.014 80 HA ARG 11 HA ARG 11 -6.525 -4.817 -6.595 81 1HB ARG 11 2HB ARG 11 -8.614 -3.856 -5.146 82 2HB ARG 11 1HB ARG 11 -9.193 -3.547 -6.782 83 1HG ARG 11 2HG ARG 11 -8.368 -6.010 -7.225 84 2HG ARG 11 1HG ARG 11 -8.521 -6.165 -5.475 85 1HD ARG 11 2HD ARG 11 -10.714 -5.194 -7.325 86 2HD ARG 11 1HD ARG 11 -10.602 -6.823 -6.670 87 HE ARG 11 HE ARG 11 -10.922 -4.423 -4.956 88 1HH1 ARG 11 1HH2 ARG 11 -12.754 -6.878 -6.243 89 2HH1 ARG 11 2HH2 ARG 11 -13.308 -7.532 -4.738 90 1HH2 ARG 11 2HH1 ARG 11 -11.144 -5.629 -2.810 91 2HH2 ARG 11 1HH1 ARG 11 -12.397 -6.824 -2.794 92 H ARG 12 H ARG 12 -7.877 -1.649 -7.509 93 HA ARG 12 HA ARG 12 -8.283 -2.197 -10.231 94 1HB ARG 12 2HB ARG 12 -7.689 0.397 -8.799 95 2HB ARG 12 1HB ARG 12 -8.096 0.309 -10.514 96 1HG ARG 12 2HG ARG 12 -10.166 -1.040 -9.761 97 2HG ARG 12 1HG ARG 12 -9.810 -0.430 -8.144 98 1HD ARG 12 2HD ARG 12 -11.267 1.201 -8.962 99 2HD ARG 12 1HD ARG 12 -9.694 1.898 -9.329 100 HE ARG 12 HE ARG 12 -10.723 0.297 -11.491 101 1HH1 ARG 12 2HH1 ARG 12 -9.265 3.121 -11.239 102 2HH1 ARG 12 1HH1 ARG 12 -10.420 4.102 -12.078 103 1HH2 ARG 12 1HH2 ARG 12 -12.907 1.687 -12.022 104 2HH2 ARG 12 2HH2 ARG 12 -12.483 3.289 -12.521 105 H ALA 13 H ALA 13 -5.343 -1.591 -8.488 106 HA ALA 13 HA ALA 13 -3.821 -0.796 -10.817 107 1HB ALA 13 2HB ALA 13 -3.193 -0.009 -8.563 108 2HB ALA 13 1HB ALA 13 -2.870 -1.672 -8.079 109 3HB ALA 13 3HB ALA 13 -1.881 -0.910 -9.324 110 H LEU 14 H LEU 14 -4.429 -3.744 -9.001 111 HA LEU 14 HA LEU 14 -2.439 -5.260 -10.471 112 1HB LEU 14 2HB LEU 14 -4.290 -5.783 -8.213 113 2HB LEU 14 1HB LEU 14 -3.875 -7.169 -9.221 114 HG LEU 14 HG LEU 14 -1.645 -5.368 -8.398 115 1HD1 LEU 14 1HD1 LEU 14 -3.342 -6.055 -6.416 116 2HD1 LEU 14 3HD1 LEU 14 -2.373 -7.526 -6.482 117 3HD1 LEU 14 2HD1 LEU 14 -1.595 -5.972 -6.184 118 1HD2 LEU 14 2HD2 LEU 14 -2.082 -8.323 -8.866 119 2HD2 LEU 14 1HD2 LEU 14 -1.050 -7.216 -9.773 120 3HD2 LEU 14 3HD2 LEU 14 -0.598 -7.707 -8.140 121 H VAL 15 H VAL 15 -5.713 -4.357 -10.976 122 HA VAL 15 HA VAL 15 -6.491 -6.671 -12.501 123 HB VAL 15 HB VAL 15 -7.705 -3.900 -12.565 124 1HG1 VAL 15 2HG1 VAL 15 -8.221 -5.855 -14.282 125 2HG1 VAL 15 1HG1 VAL 15 -9.198 -6.469 -12.947 126 3HG1 VAL 15 3HG1 VAL 15 -9.527 -4.873 -13.620 127 1HG2 VAL 15 1HG2 VAL 15 -7.571 -5.805 -10.403 128 2HG2 VAL 15 3HG2 VAL 15 -8.395 -4.247 -10.446 129 3HG2 VAL 15 2HG2 VAL 15 -9.236 -5.703 -10.974 130 H GLU 16 H GLU 16 -5.092 -3.517 -13.148 131 HA GLU 16 HA GLU 16 -5.372 -3.456 -15.945 132 1HB GLU 16 2HB GLU 16 -3.455 -2.198 -14.012 133 2HB GLU 16 1HB GLU 16 -3.162 -2.061 -15.746 134 1HG GLU 16 2HG GLU 16 -5.218 -0.932 -16.116 135 2HG GLU 16 1HG GLU 16 -5.846 -1.394 -14.534 136 H CYS 17 H CYS 17 -3.127 -5.148 -13.864 137 HA CYS 17 HA CYS 17 -1.139 -5.776 -15.772 138 1HB CYS 17 2HB CYS 17 -2.003 -7.456 -13.405 139 2HB CYS 17 1HB CYS 17 -0.456 -7.537 -14.245 140 HG CYS 17 HG CYS 17 -1.195 -4.816 -12.950 141 H ALA 18 H ALA 18 -3.617 -7.979 -14.453 142 HA ALA 18 HA ALA 18 -3.353 -9.808 -16.647 143 1HB ALA 18 2HB ALA 18 -5.175 -9.590 -14.273 144 2HB ALA 18 1HB ALA 18 -5.570 -10.708 -15.579 145 3HB ALA 18 3HB ALA 18 -4.051 -10.880 -14.701 146 H GLY 19 H GLY 19 -6.259 -8.082 -15.518 147 1HA GLY 19 2HA GLY 19 -7.471 -6.557 -16.981 148 2HA GLY 19 1HA GLY 19 -6.945 -7.538 -18.345 149 H GLU 20 H GLU 20 -8.126 -9.255 -18.972 150 HA GLU 20 HA GLU 20 -9.748 -10.896 -18.995 151 1HB GLU 20 2HB GLU 20 -9.373 -10.745 -16.312 152 2HB GLU 20 1HB GLU 20 -11.036 -10.175 -16.425 153 1HG GLU 20 2HG GLU 20 -11.831 -12.205 -17.098 154 2HG GLU 20 1HG GLU 20 -10.407 -12.548 -18.080 155 H THR 21 H THR 21 -11.322 -8.331 -17.043 156 HA THR 21 HA THR 21 -12.901 -7.594 -19.368 157 HB THR 21 HB THR 21 -14.064 -9.403 -17.970 158 HG1 THR 21 HG1 THR 21 -16.031 -8.368 -18.226 159 1HG2 THR 21 1HG2 THR 21 -13.342 -8.010 -15.806 160 2HG2 THR 21 3HG2 THR 21 -14.910 -7.254 -16.089 161 3HG2 THR 21 2HG2 THR 21 -14.804 -8.995 -15.836 162 H ASP 22 H ASP 22 -14.627 -5.972 -17.577 163 HA ASP 22 HA ASP 22 -12.683 -3.835 -17.024 164 1HB ASP 22 2HB ASP 22 -14.676 -2.319 -17.136 165 2HB ASP 22 1HB ASP 22 -14.337 -3.155 -18.651 166 H GLY 23 H GLY 23 -13.334 -6.099 -15.238 167 1HA GLY 23 2HA GLY 23 -14.219 -4.488 -12.922 168 2HA GLY 23 1HA GLY 23 -14.911 -6.083 -13.202 169 H THR 24 H THR 24 -14.116 -7.401 -11.717 170 HA THR 24 HA THR 24 -11.297 -7.983 -11.630 171 HB THR 24 HB THR 24 -12.405 -7.290 -8.950 172 HG1 THR 24 HG1 THR 24 -11.184 -5.347 -10.602 173 1HG2 THR 24 2HG2 THR 24 -9.781 -7.651 -10.293 174 2HG2 THR 24 1HG2 THR 24 -9.845 -6.435 -9.017 175 3HG2 THR 24 3HG2 THR 24 -10.288 -8.105 -8.665 176 H ASP 25 H ASP 25 -11.058 -10.072 -11.216 177 HA ASP 25 HA ASP 25 -13.400 -11.633 -10.439 178 1HB ASP 25 2HB ASP 25 -10.642 -12.476 -11.370 179 2HB ASP 25 1HB ASP 25 -11.955 -13.592 -10.991 180 H LEU 26 H LEU 26 -13.223 -10.559 -8.257 181 HA LEU 26 HA LEU 26 -11.786 -12.363 -6.457 182 1HB LEU 26 2HB LEU 26 -11.367 -9.382 -6.579 183 2HB LEU 26 1HB LEU 26 -11.132 -10.277 -5.077 184 HG LEU 26 HG LEU 26 -9.798 -11.056 -7.679 185 1HD1 LEU 26 3HD1 LEU 26 -9.085 -9.009 -5.639 186 2HD1 LEU 26 2HD1 LEU 26 -7.780 -10.059 -6.194 187 3HD1 LEU 26 1HD1 LEU 26 -8.677 -9.078 -7.353 188 1HD2 LEU 26 2HD2 LEU 26 -9.741 -11.969 -4.835 189 2HD2 LEU 26 1HD2 LEU 26 -9.609 -12.913 -6.319 190 3HD2 LEU 26 3HD2 LEU 26 -8.220 -12.000 -5.728 191 H SER 27 H SER 27 -13.306 -13.112 -5.154 192 HA SER 27 HA SER 27 -15.867 -12.061 -4.827 193 1HB SER 27 2HB SER 27 -16.151 -13.629 -3.020 194 2HB SER 27 1HB SER 27 -15.172 -14.398 -4.265 195 HG SER 27 HG SER 27 -13.582 -14.492 -2.899 196 H GLY 28 H GLY 28 -12.923 -11.145 -3.297 197 1HA GLY 28 2HA GLY 28 -13.675 -8.744 -2.287 198 2HA GLY 28 1HA GLY 28 -14.169 -9.864 -1.021 199 H ASP 29 H ASP 29 -12.288 -11.646 -0.732 200 HA ASP 29 HA ASP 29 -10.076 -10.182 0.372 201 1HB ASP 29 2HB ASP 29 -10.440 -13.173 0.066 202 2HB ASP 29 1HB ASP 29 -9.254 -12.370 1.094 203 H PHE 30 H PHE 30 -8.230 -9.665 -0.591 204 HA PHE 30 HA PHE 30 -7.108 -11.368 -2.671 205 1HB PHE 30 2HB PHE 30 -7.004 -9.679 -4.377 206 2HB PHE 30 1HB PHE 30 -8.679 -9.794 -3.849 207 HD1 PHE 30 HD1 PHE 30 -9.187 -8.188 -1.687 208 HD2 PHE 30 HD2 PHE 30 -6.161 -7.535 -4.664 209 HE1 PHE 30 HE1 PHE 30 -9.163 -5.773 -1.132 210 HE2 PHE 30 HE2 PHE 30 -6.133 -5.119 -4.105 211 HZ PHE 30 HZ PHE 30 -7.637 -4.239 -2.342 212 H LEU 31 H LEU 31 -6.433 -10.321 0.072 213 HA LEU 31 HA LEU 31 -3.787 -9.236 -0.647 214 1HB LEU 31 2HB LEU 31 -5.471 -8.298 1.685 215 2HB LEU 31 1HB LEU 31 -3.864 -7.711 1.246 216 HG LEU 31 HG LEU 31 -6.225 -7.612 -0.644 217 1HD1 LEU 31 3HD1 LEU 31 -6.060 -6.150 1.685 218 2HD1 LEU 31 2HD1 LEU 31 -5.287 -5.076 0.519 219 3HD1 LEU 31 1HD1 LEU 31 -6.932 -5.650 0.237 220 1HD2 LEU 31 3HD2 LEU 31 -3.513 -6.249 -0.599 221 2HD2 LEU 31 2HD2 LEU 31 -4.017 -7.532 -1.700 222 3HD2 LEU 31 1HD2 LEU 31 -4.774 -5.942 -1.794 223 H ASP 32 H ASP 32 -3.426 -11.599 -0.460 224 HA ASP 32 HA ASP 32 -2.234 -12.171 2.113 225 1HB ASP 32 2HB ASP 32 -4.511 -13.859 1.042 226 2HB ASP 32 1HB ASP 32 -3.373 -14.421 2.266 227 H LEU 33 H LEU 33 -0.473 -11.911 0.556 228 HA LEU 33 HA LEU 33 1.203 -12.766 -0.765 229 1HB LEU 33 2HB LEU 33 -0.150 -15.378 -0.041 230 2HB LEU 33 1HB LEU 33 1.349 -15.274 -0.961 231 HG LEU 33 HG LEU 33 1.047 -13.906 1.712 232 1HD1 LEU 33 2HD1 LEU 33 0.577 -16.411 1.835 233 2HD1 LEU 33 1HD1 LEU 33 2.233 -16.657 1.280 234 3HD1 LEU 33 3HD1 LEU 33 1.929 -15.840 2.813 235 1HD2 LEU 33 1HD2 LEU 33 2.940 -13.551 -0.113 236 2HD2 LEU 33 3HD2 LEU 33 3.356 -13.643 1.599 237 3HD2 LEU 33 2HD2 LEU 33 3.568 -15.055 0.562 238 H ARG 34 H ARG 34 -1.140 -11.736 -1.907 239 HA ARG 34 HA ARG 34 -2.281 -13.328 -3.930 240 1HB ARG 34 2HB ARG 34 -3.206 -11.155 -3.127 241 2HB ARG 34 1HB ARG 34 -1.898 -10.321 -3.963 242 1HG ARG 34 2HG ARG 34 -3.600 -10.257 -5.564 243 2HG ARG 34 1HG ARG 34 -2.722 -11.710 -6.042 244 1HD ARG 34 2HD ARG 34 -4.313 -13.062 -4.667 245 2HD ARG 34 1HD ARG 34 -5.228 -11.594 -4.342 246 HE ARG 34 HE ARG 34 -6.177 -11.834 -6.438 247 1HH1 ARG 34 2HH1 ARG 34 -4.474 -11.455 -8.510 248 2HH1 ARG 34 1HH1 ARG 34 -4.020 -13.003 -9.138 249 1HH2 ARG 34 1HH2 ARG 34 -5.013 -14.738 -6.304 250 2HH2 ARG 34 2HH2 ARG 34 -4.325 -14.862 -7.889 251 H PHE 35 H PHE 35 0.649 -11.357 -3.871 252 HA PHE 35 HA PHE 35 1.178 -11.333 -6.640 253 1HB PHE 35 2HB PHE 35 2.833 -10.990 -4.177 254 2HB PHE 35 1HB PHE 35 3.671 -11.284 -5.699 255 HD1 PHE 35 HD2 PHE 35 0.557 -9.369 -4.826 256 HD2 PHE 35 HD1 PHE 35 4.494 -9.255 -6.559 257 HE1 PHE 35 HE2 PHE 35 0.211 -7.002 -5.473 258 HE2 PHE 35 HE1 PHE 35 4.139 -6.893 -7.198 259 HZ PHE 35 HZ PHE 35 2.005 -5.766 -6.659 260 H GLU 36 H GLU 36 2.955 -13.298 -4.260 261 HA GLU 36 HA GLU 36 4.011 -15.123 -6.099 262 1HB GLU 36 2HB GLU 36 4.350 -16.611 -4.116 263 2HB GLU 36 1HB GLU 36 4.939 -14.965 -3.880 264 1HG GLU 36 2HG GLU 36 3.129 -14.385 -2.489 265 2HG GLU 36 1HG GLU 36 2.144 -15.733 -3.056 266 H ASP 37 H ASP 37 0.793 -14.907 -4.852 267 HA ASP 37 HA ASP 37 -0.137 -17.493 -4.793 268 1HB ASP 37 2HB ASP 37 -1.430 -15.317 -4.397 269 2HB ASP 37 1HB ASP 37 -1.697 -15.296 -6.140 270 H ILE 38 H ILE 38 -0.442 -15.419 -7.692 271 HA ILE 38 HA ILE 38 -1.014 -17.635 -9.393 272 HB ILE 38 HB ILE 38 -0.851 -16.044 -11.237 273 1HG1 ILE 38 2HG1 ILE 38 -0.303 -13.664 -9.611 274 2HG1 ILE 38 1HG1 ILE 38 1.065 -14.772 -9.640 275 1HG2 ILE 38 1HG2 ILE 38 -2.694 -16.021 -9.255 276 2HG2 ILE 38 3HG2 ILE 38 -2.118 -14.356 -9.148 277 3HG2 ILE 38 2HG2 ILE 38 -2.785 -14.965 -10.664 278 1HD1 ILE 38 1HD1 ILE 38 0.409 -14.841 -12.253 279 2HD1 ILE 38 3HD1 ILE 38 -0.156 -13.218 -11.860 280 3HD1 ILE 38 2HD1 ILE 38 1.530 -13.654 -11.587 281 H GLY 39 H GLY 39 1.933 -16.130 -8.330 282 1HA GLY 39 2HA GLY 39 3.935 -17.571 -8.514 283 2HA GLY 39 1HA GLY 39 3.451 -17.875 -10.179 284 H TYR 40 H TYR 40 3.390 -14.781 -8.457 285 HA TYR 40 HA TYR 40 4.708 -13.421 -10.603 286 1HB TYR 40 2HB TYR 40 3.581 -12.688 -7.968 287 2HB TYR 40 1HB TYR 40 4.916 -11.679 -8.511 288 HD1 TYR 40 HD1 TYR 40 4.781 -10.469 -10.678 289 HD2 TYR 40 HD2 TYR 40 1.432 -12.626 -9.067 290 HE1 TYR 40 HE1 TYR 40 3.260 -9.264 -12.223 291 HE2 TYR 40 HE2 TYR 40 -0.087 -11.421 -10.613 292 HH TYR 40 HH TYR 40 1.070 -9.547 -13.236 293 H ASP 41 H ASP 41 6.769 -12.514 -10.648 294 HA ASP 41 HA ASP 41 8.675 -13.633 -8.680 295 1HB ASP 41 2HB ASP 41 10.373 -13.367 -10.615 296 2HB ASP 41 1HB ASP 41 9.263 -14.731 -10.670 297 H SER 42 H SER 42 8.257 -11.020 -11.058 298 HA SER 42 HA SER 42 8.446 -8.815 -9.476 299 1HB SER 42 2HB SER 42 10.925 -8.173 -9.802 300 2HB SER 42 1HB SER 42 10.555 -9.329 -8.527 301 HG SER 42 HG SER 42 12.089 -9.632 -10.706 302 H LEU 43 H LEU 43 10.101 -10.157 -12.327 303 HA LEU 43 HA LEU 43 10.166 -7.790 -13.847 304 1HB LEU 43 2HB LEU 43 11.275 -10.117 -14.284 305 2HB LEU 43 1HB LEU 43 9.778 -10.465 -15.149 306 HG LEU 43 HG LEU 43 10.165 -8.213 -16.349 307 1HD1 LEU 43 3HD1 LEU 43 12.061 -7.736 -14.581 308 2HD1 LEU 43 2HD1 LEU 43 13.055 -8.685 -15.687 309 3HD1 LEU 43 1HD1 LEU 43 12.268 -7.212 -16.251 310 1HD2 LEU 43 2HD2 LEU 43 10.625 -10.672 -17.152 311 2HD2 LEU 43 1HD2 LEU 43 11.279 -9.325 -18.083 312 3HD2 LEU 43 3HD2 LEU 43 12.319 -10.217 -16.973 313 H ALA 44 H ALA 44 7.634 -10.153 -13.319 314 HA ALA 44 HA ALA 44 5.926 -9.380 -15.448 315 1HB ALA 44 2HB ALA 44 5.732 -11.489 -14.049 316 2HB ALA 44 1HB ALA 44 5.031 -10.484 -12.782 317 3HB ALA 44 3HB ALA 44 4.218 -10.631 -14.340 318 H LEU 45 H LEU 45 6.046 -8.434 -12.022 319 HA LEU 45 HA LEU 45 4.009 -6.394 -12.469 320 1HB LEU 45 2HB LEU 45 4.151 -6.018 -10.050 321 2HB LEU 45 1HB LEU 45 3.907 -7.718 -10.429 322 HG LEU 45 HG LEU 45 6.672 -7.484 -10.395 323 1HD1 LEU 45 2HD1 LEU 45 5.880 -5.170 -9.211 324 2HD1 LEU 45 1HD1 LEU 45 5.910 -6.245 -7.812 325 3HD1 LEU 45 3HD1 LEU 45 7.366 -6.018 -8.784 326 1HD2 LEU 45 3HD2 LEU 45 4.547 -8.542 -8.600 327 2HD2 LEU 45 2HD2 LEU 45 5.912 -9.379 -9.339 328 3HD2 LEU 45 1HD2 LEU 45 6.158 -8.395 -7.896 329 H MET 46 H MET 46 7.218 -6.482 -13.090 330 HA MET 46 HA MET 46 7.930 -3.875 -12.000 331 1HB MET 46 2HB MET 46 9.615 -5.720 -12.177 332 2HB MET 46 1HB MET 46 9.486 -5.614 -13.932 333 1HG MET 46 2HG MET 46 9.932 -3.018 -13.400 334 2HG MET 46 1HG MET 46 10.739 -3.720 -11.998 335 1HE MET 46 2HE MET 46 10.185 -3.755 -15.687 336 2HE MET 46 1HE MET 46 11.412 -2.501 -15.524 337 3HE MET 46 3HE MET 46 11.774 -3.988 -16.412 338 H GLU 47 H GLU 47 6.985 -5.337 -15.048 339 HA GLU 47 HA GLU 47 7.537 -2.993 -16.632 340 1HB GLU 47 2HB GLU 47 6.182 -5.623 -17.119 341 2HB GLU 47 1HB GLU 47 5.947 -4.301 -18.265 342 1HG GLU 47 2HG GLU 47 8.614 -4.136 -17.995 343 2HG GLU 47 1HG GLU 47 8.413 -5.853 -17.644 344 H THR 48 H THR 48 4.718 -4.429 -15.072 345 HA THR 48 HA THR 48 2.825 -2.576 -16.152 346 HB THR 48 HB THR 48 2.508 -4.111 -13.573 347 HG1 THR 48 HG1 THR 48 2.229 -4.965 -16.259 348 1HG2 THR 48 2HG2 THR 48 0.787 -2.565 -15.381 349 2HG2 THR 48 1HG2 THR 48 0.156 -4.173 -15.021 350 3HG2 THR 48 3HG2 THR 48 0.514 -3.051 -13.708 351 H ALA 49 H ALA 49 4.421 -2.875 -12.981 352 HA ALA 49 HA ALA 49 3.304 -0.526 -11.862 353 1HB ALA 49 1HB ALA 49 4.618 -2.477 -10.719 354 2HB ALA 49 3HB ALA 49 6.039 -1.503 -11.102 355 3HB ALA 49 2HB ALA 49 4.768 -0.842 -10.074 356 H ALA 50 H ALA 50 6.091 -1.109 -13.901 357 HA ALA 50 HA ALA 50 7.405 1.370 -13.534 358 1HB ALA 50 3HB ALA 50 7.434 -0.724 -15.679 359 2HB ALA 50 2HB ALA 50 8.237 0.821 -15.959 360 3HB ALA 50 1HB ALA 50 8.737 -0.202 -14.613 361 H ARG 51 H ARG 51 4.969 0.291 -15.880 362 HA ARG 51 HA ARG 51 4.879 2.677 -17.394 363 1HB ARG 51 2HB ARG 51 2.919 0.432 -16.960 364 2HB ARG 51 1HB ARG 51 2.495 1.839 -17.936 365 1HG ARG 51 2HG ARG 51 5.028 0.262 -18.416 366 2HG ARG 51 1HG ARG 51 3.502 -0.159 -19.193 367 1HD ARG 51 2HD ARG 51 3.359 2.159 -20.092 368 2HD ARG 51 1HD ARG 51 4.934 2.506 -19.385 369 HE ARG 51 HE ARG 51 4.597 0.362 -21.402 370 1HH1 ARG 51 2HH1 ARG 51 7.311 0.904 -20.234 371 2HH1 ARG 51 1HH1 ARG 51 8.022 1.956 -21.412 372 1HH2 ARG 51 1HH2 ARG 51 5.000 2.740 -22.922 373 2HH2 ARG 51 2HH2 ARG 51 6.713 2.997 -22.934 374 H LEU 52 H LEU 52 3.059 1.584 -14.559 375 HA LEU 52 HA LEU 52 1.585 4.103 -14.444 376 1HB LEU 52 2HB LEU 52 1.409 1.470 -13.053 377 2HB LEU 52 1HB LEU 52 0.770 2.894 -12.230 378 HG LEU 52 HG LEU 52 -0.548 3.426 -14.299 379 1HD1 LEU 52 2HD1 LEU 52 0.479 0.695 -15.132 380 2HD1 LEU 52 1HD1 LEU 52 -0.818 1.568 -15.948 381 3HD1 LEU 52 3HD1 LEU 52 0.817 2.230 -15.932 382 1HD2 LEU 52 3HD2 LEU 52 -1.245 1.866 -12.258 383 2HD2 LEU 52 2HD2 LEU 52 -2.305 2.054 -13.655 384 3HD2 LEU 52 1HD2 LEU 52 -1.277 0.628 -13.514 385 H GLU 53 H GLU 53 4.648 3.327 -13.593 386 HA GLU 53 HA GLU 53 4.824 4.172 -10.890 387 1HB GLU 53 2HB GLU 53 6.611 2.917 -12.148 388 2HB GLU 53 1HB GLU 53 6.974 4.416 -13.004 389 1HG GLU 53 2HG GLU 53 7.023 5.354 -10.483 390 2HG GLU 53 1HG GLU 53 7.489 3.683 -10.165 391 H SER 54 H SER 54 4.839 5.861 -13.968 392 HA SER 54 HA SER 54 5.479 8.417 -12.710 393 1HB SER 54 2HB SER 54 5.218 9.300 -15.044 394 2HB SER 54 1HB SER 54 6.445 8.045 -14.889 395 HG SER 54 HG SER 54 4.823 7.875 -16.663 396 H ARG 55 H ARG 55 2.737 6.680 -14.034 397 HA ARG 55 HA ARG 55 0.899 8.811 -14.208 398 1HB ARG 55 2HB ARG 55 0.554 6.504 -15.144 399 2HB ARG 55 1HB ARG 55 0.255 5.940 -13.499 400 1HG ARG 55 2HG ARG 55 -1.668 7.363 -13.273 401 2HG ARG 55 1HG ARG 55 -1.290 8.212 -14.772 402 1HD ARG 55 2HD ARG 55 -2.017 6.471 -16.106 403 2HD ARG 55 1HD ARG 55 -1.650 5.249 -14.893 404 HE ARG 55 HE ARG 55 -3.693 6.574 -13.736 405 1HH1 ARG 55 2HH1 ARG 55 -3.894 7.001 -16.957 406 2HH1 ARG 55 1HH1 ARG 55 -5.262 5.979 -17.250 407 1HH2 ARG 55 1HH2 ARG 55 -5.182 4.526 -14.102 408 2HH2 ARG 55 2HH2 ARG 55 -5.991 4.578 -15.633 409 H TYR 56 H TYR 56 1.977 6.835 -11.520 410 HA TYR 56 HA TYR 56 -0.037 7.906 -9.711 411 1HB TYR 56 2HB TYR 56 2.151 5.878 -9.510 412 2HB TYR 56 1HB TYR 56 1.557 6.631 -8.029 413 HD1 TYR 56 HD1 TYR 56 0.159 5.203 -11.212 414 HD2 TYR 56 HD2 TYR 56 -0.207 5.574 -6.947 415 HE1 TYR 56 HE1 TYR 56 -1.829 3.721 -11.255 416 HE2 TYR 56 HE2 TYR 56 -2.196 4.092 -6.991 417 HH TYR 56 HH TYR 56 -3.041 2.199 -8.642 418 H GLY 57 H GLY 57 3.340 8.391 -10.518 419 1HA GLY 57 2HA GLY 57 4.324 10.581 -10.172 420 2HA GLY 57 1HA GLY 57 3.380 10.716 -8.692 421 H VAL 58 H VAL 58 4.025 7.839 -8.039 422 HA VAL 58 HA VAL 58 6.198 8.283 -6.327 423 HB VAL 58 HB VAL 58 4.523 6.525 -5.964 424 1HG1 VAL 58 1HG1 VAL 58 5.841 5.194 -8.347 425 2HG1 VAL 58 3HG1 VAL 58 4.647 4.434 -7.295 426 3HG1 VAL 58 2HG1 VAL 58 4.194 5.821 -8.284 427 1HG2 VAL 58 3HG2 VAL 58 6.961 6.391 -5.112 428 2HG2 VAL 58 2HG2 VAL 58 5.990 4.920 -5.055 429 3HG2 VAL 58 1HG2 VAL 58 7.174 5.146 -6.342 430 H SER 59 H SER 59 8.282 7.230 -6.337 431 HA SER 59 HA SER 59 9.359 6.499 -8.969 432 1HB SER 59 2HB SER 59 11.381 7.998 -8.408 433 2HB SER 59 1HB SER 59 9.924 8.789 -9.003 434 HG SER 59 HG SER 59 9.410 9.366 -6.919 435 H ILE 60 H ILE 60 8.885 4.630 -7.212 436 HA ILE 60 HA ILE 60 11.070 4.224 -5.364 437 HB ILE 60 HB ILE 60 8.474 3.380 -5.432 438 1HG1 ILE 60 2HG1 ILE 60 9.948 1.478 -3.859 439 2HG1 ILE 60 1HG1 ILE 60 10.780 3.029 -3.789 440 1HG2 ILE 60 2HG2 ILE 60 8.894 1.723 -7.219 441 2HG2 ILE 60 1HG2 ILE 60 10.101 0.939 -6.201 442 3HG2 ILE 60 3HG2 ILE 60 8.406 0.949 -5.712 443 1HD1 ILE 60 3HD1 ILE 60 7.806 2.704 -3.317 444 2HD1 ILE 60 2HD1 ILE 60 9.005 2.732 -2.025 445 3HD1 ILE 60 1HD1 ILE 60 8.774 4.151 -3.046 446 HA PRO 61 HA PRO 61 13.674 2.101 -8.233 447 1HB PRO 61 2HB PRO 61 15.183 0.585 -6.531 448 2HB PRO 61 1HB PRO 61 15.356 2.337 -6.708 449 1HG PRO 61 2HG PRO 61 14.184 0.786 -4.487 450 2HG PRO 61 1HG PRO 61 14.873 2.415 -4.484 451 1HD PRO 61 2HD PRO 61 12.107 1.721 -4.511 452 2HD PRO 61 1HD PRO 61 12.801 3.350 -4.680 453 H ASP 62 H ASP 62 14.791 -0.348 -8.278 454 HA ASP 62 HA ASP 62 12.473 -2.109 -8.669 455 1HB ASP 62 2HB ASP 62 15.150 -1.838 -9.900 456 2HB ASP 62 1HB ASP 62 14.559 -3.489 -9.722 457 H ASP 63 H ASP 63 14.943 -1.626 -6.386 458 HA ASP 63 HA ASP 63 15.406 -4.375 -5.697 459 1HB ASP 63 2HB ASP 63 16.798 -2.166 -5.163 460 2HB ASP 63 1HB ASP 63 15.824 -2.210 -3.694 461 H VAL 64 H VAL 64 13.647 -1.732 -4.060 462 HA VAL 64 HA VAL 64 12.477 -3.477 -2.123 463 HB VAL 64 HB VAL 64 12.866 -1.076 -1.696 464 1HG1 VAL 64 2HG1 VAL 64 12.197 -0.355 -4.033 465 2HG1 VAL 64 1HG1 VAL 64 10.519 -0.563 -3.535 466 3HG1 VAL 64 3HG1 VAL 64 11.536 0.631 -2.729 467 1HG2 VAL 64 3HG2 VAL 64 9.962 -1.946 -1.577 468 2HG2 VAL 64 2HG2 VAL 64 11.194 -2.264 -0.357 469 3HG2 VAL 64 1HG2 VAL 64 10.655 -0.612 -0.653 470 H ALA 65 H ALA 65 11.247 -1.933 -5.079 471 HA ALA 65 HA ALA 65 8.614 -3.055 -4.806 472 1HB ALA 65 2HB ALA 65 10.030 -1.740 -7.132 473 2HB ALA 65 1HB ALA 65 8.353 -2.285 -7.192 474 3HB ALA 65 3HB ALA 65 8.829 -1.019 -6.060 475 H GLY 66 H GLY 66 11.604 -4.053 -6.326 476 1HA GLY 66 2HA GLY 66 10.453 -6.072 -8.003 477 2HA GLY 66 1HA GLY 66 12.154 -5.930 -7.572 478 H ARG 67 H ARG 67 11.623 -5.945 -4.698 479 HA ARG 67 HA ARG 67 11.261 -8.848 -4.392 480 1HB ARG 67 2HB ARG 67 13.237 -7.337 -3.427 481 2HB ARG 67 1HB ARG 67 12.086 -7.118 -2.108 482 1HG ARG 67 2HG ARG 67 12.455 -9.897 -3.110 483 2HG ARG 67 1HG ARG 67 13.793 -9.200 -2.197 484 1HD ARG 67 2HD ARG 67 11.705 -8.451 -0.632 485 2HD ARG 67 1HD ARG 67 11.073 -9.955 -1.291 486 HE ARG 67 HE ARG 67 13.036 -9.751 0.724 487 1HH1 ARG 67 1HH2 ARG 67 15.090 -10.763 -0.888 488 2HH1 ARG 67 2HH2 ARG 67 14.800 -12.464 -1.044 489 1HH2 ARG 67 2HH1 ARG 67 11.482 -12.258 -0.055 490 2HH2 ARG 67 1HH1 ARG 67 12.758 -13.309 -0.573 491 H VAL 68 H VAL 68 8.921 -7.371 -4.876 492 HA VAL 68 HA VAL 68 7.636 -7.171 -2.238 493 HB VAL 68 HB VAL 68 7.368 -5.247 -3.780 494 1HG1 VAL 68 1HG1 VAL 68 7.239 -6.936 -5.826 495 2HG1 VAL 68 3HG1 VAL 68 5.510 -6.858 -5.486 496 3HG1 VAL 68 2HG1 VAL 68 6.398 -5.387 -5.879 497 1HG2 VAL 68 3HG2 VAL 68 5.524 -6.339 -2.145 498 2HG2 VAL 68 2HG2 VAL 68 5.227 -4.866 -3.069 499 3HG2 VAL 68 1HG2 VAL 68 4.640 -6.417 -3.669 500 H ASP 69 H ASP 69 7.135 -9.196 -1.617 501 HA ASP 69 HA ASP 69 5.787 -10.983 -3.525 502 1HB ASP 69 2HB ASP 69 6.085 -12.700 -1.736 503 2HB ASP 69 1HB ASP 69 7.605 -12.007 -2.302 504 H THR 70 H THR 70 4.635 -8.555 -1.903 505 HA THR 70 HA THR 70 2.177 -9.972 -1.146 506 HB THR 70 HB THR 70 2.151 -8.114 0.778 507 HG1 THR 70 HG1 THR 70 4.297 -8.041 1.637 508 1HG2 THR 70 3HG2 THR 70 2.178 -10.770 0.753 509 2HG2 THR 70 2HG2 THR 70 3.821 -10.527 1.347 510 3HG2 THR 70 1HG2 THR 70 2.453 -9.873 2.247 511 HA PRO 71 HA PRO 71 0.405 -6.531 -3.293 512 1HB PRO 71 2HB PRO 71 -2.164 -6.678 -2.376 513 2HB PRO 71 1HB PRO 71 -1.472 -7.818 -3.541 514 1HG PRO 71 2HG PRO 71 -2.093 -8.205 -0.671 515 2HG PRO 71 1HG PRO 71 -2.008 -9.396 -1.977 516 1HD PRO 71 2HD PRO 71 -0.022 -8.909 -0.009 517 2HD PRO 71 1HD PRO 71 0.160 -9.905 -1.472 518 H ARG 72 H ARG 72 -0.772 -6.705 0.073 519 HA ARG 72 HA ARG 72 -1.434 -4.011 0.419 520 1HB ARG 72 2HB ARG 72 -1.716 -6.150 1.980 521 2HB ARG 72 1HB ARG 72 -0.258 -5.492 2.724 522 1HG ARG 72 2HG ARG 72 -1.758 -4.250 3.921 523 2HG ARG 72 1HG ARG 72 -1.728 -3.223 2.488 524 1HD ARG 72 2HD ARG 72 -3.788 -3.937 1.759 525 2HD ARG 72 1HD ARG 72 -3.596 -5.542 2.456 526 HE ARG 72 HE ARG 72 -3.923 -3.340 4.352 527 1HH1 ARG 72 1HH2 ARG 72 -4.605 -6.513 4.096 528 2HH1 ARG 72 2HH2 ARG 72 -6.300 -6.421 4.439 529 1HH2 ARG 72 2HH1 ARG 72 -6.446 -2.970 4.138 530 2HH2 ARG 72 1HH1 ARG 72 -7.342 -4.416 4.463 531 H GLU 73 H GLU 73 1.672 -5.605 0.474 532 HA GLU 73 HA GLU 73 3.139 -3.596 1.843 533 1HB GLU 73 2HB GLU 73 3.906 -5.969 1.350 534 2HB GLU 73 1HB GLU 73 4.236 -5.424 -0.295 535 1HG GLU 73 2HG GLU 73 6.299 -5.007 0.654 536 2HG GLU 73 1HG GLU 73 5.508 -3.470 1.004 537 H LEU 74 H LEU 74 2.392 -4.157 -1.568 538 HA LEU 74 HA LEU 74 4.003 -2.057 -2.600 539 1HB LEU 74 2HB LEU 74 2.640 -4.092 -3.748 540 2HB LEU 74 1HB LEU 74 1.526 -2.763 -4.069 541 HG LEU 74 HG LEU 74 3.717 -1.498 -4.812 542 1HD1 LEU 74 2HD1 LEU 74 4.460 -4.429 -4.979 543 2HD1 LEU 74 1HD1 LEU 74 5.264 -3.182 -5.933 544 3HD1 LEU 74 3HD1 LEU 74 5.351 -3.137 -4.172 545 1HD2 LEU 74 3HD2 LEU 74 1.722 -2.249 -6.216 546 2HD2 LEU 74 2HD2 LEU 74 3.255 -2.133 -7.079 547 3HD2 LEU 74 1HD2 LEU 74 2.641 -3.709 -6.581 548 H LEU 75 H LEU 75 0.649 -2.230 -1.498 549 HA LEU 75 HA LEU 75 -0.240 0.289 -2.379 550 1HB LEU 75 2HB LEU 75 -1.752 -1.436 -1.456 551 2HB LEU 75 1HB LEU 75 -1.036 -1.211 0.136 552 HG LEU 75 HG LEU 75 -1.710 1.330 -0.288 553 1HD1 LEU 75 2HD1 LEU 75 -2.609 0.386 -2.635 554 2HD1 LEU 75 1HD1 LEU 75 -4.048 0.091 -1.657 555 3HD1 LEU 75 3HD1 LEU 75 -3.396 1.725 -1.799 556 1HD2 LEU 75 1HD2 LEU 75 -2.534 -0.110 1.542 557 2HD2 LEU 75 3HD2 LEU 75 -3.840 0.867 0.870 558 3HD2 LEU 75 2HD2 LEU 75 -3.703 -0.837 0.440 559 H ASP 76 H ASP 76 1.109 -0.641 0.790 560 HA ASP 76 HA ASP 76 1.179 1.980 1.852 561 1HB ASP 76 2HB ASP 76 1.456 -0.333 3.037 562 2HB ASP 76 1HB ASP 76 3.166 -0.115 2.665 563 H LEU 77 H LEU 77 3.293 0.286 -0.332 564 HA LEU 77 HA LEU 77 5.673 1.745 0.097 565 1HB LEU 77 2HB LEU 77 5.076 -0.387 -1.419 566 2HB LEU 77 1HB LEU 77 5.029 0.858 -2.666 567 HG LEU 77 HG LEU 77 7.289 1.644 -1.636 568 1HD1 LEU 77 2HD1 LEU 77 6.800 -0.186 0.252 569 2HD1 LEU 77 1HD1 LEU 77 7.640 -1.227 -0.898 570 3HD1 LEU 77 3HD1 LEU 77 8.444 0.204 -0.254 571 1HD2 LEU 77 3HD2 LEU 77 6.785 -0.779 -3.346 572 2HD2 LEU 77 2HD2 LEU 77 7.403 0.803 -3.820 573 3HD2 LEU 77 1HD2 LEU 77 8.440 -0.322 -2.944 574 H ILE 78 H ILE 78 3.375 2.096 -2.621 575 HA ILE 78 HA ILE 78 4.419 4.553 -3.535 576 HB ILE 78 HB ILE 78 1.635 3.394 -3.860 577 1HG1 ILE 78 2HG1 ILE 78 2.928 3.119 -6.255 578 2HG1 ILE 78 1HG1 ILE 78 4.270 2.914 -5.130 579 1HG2 ILE 78 3HG2 ILE 78 2.963 5.840 -4.925 580 2HG2 ILE 78 2HG2 ILE 78 1.997 4.897 -6.061 581 3HG2 ILE 78 1HG2 ILE 78 1.257 5.540 -4.595 582 1HD1 ILE 78 1HD1 ILE 78 1.832 1.463 -4.341 583 2HD1 ILE 78 3HD1 ILE 78 2.524 0.921 -5.869 584 3HD1 ILE 78 2HD1 ILE 78 3.505 0.906 -4.404 585 H ASN 79 H ASN 79 2.003 3.780 -1.133 586 HA ASN 79 HA ASN 79 0.719 6.217 -0.791 587 1HB ASN 79 2HB ASN 79 0.621 3.802 0.477 588 2HB ASN 79 1HB ASN 79 1.365 4.801 1.721 589 1HD2 ASN 79 2HD2 ASN 79 -2.562 5.171 0.994 590 2HD2 ASN 79 1HD2 ASN 79 -1.614 3.927 0.334 591 H GLY 80 H GLY 80 3.593 5.046 0.975 592 1HA GLY 80 2HA GLY 80 4.038 7.451 2.406 593 2HA GLY 80 1HA GLY 80 5.217 6.167 2.163 594 H ALA 81 H ALA 81 5.397 6.185 -0.620 595 HA ALA 81 HA ALA 81 7.318 8.171 -1.079 596 1HB ALA 81 3HB ALA 81 5.702 6.500 -3.006 597 2HB ALA 81 2HB ALA 81 6.997 7.581 -3.519 598 3HB ALA 81 1HB ALA 81 7.355 6.221 -2.455 599 H LEU 82 H LEU 82 3.853 8.274 -1.403 600 HA LEU 82 HA LEU 82 3.913 10.709 -3.010 601 1HB LEU 82 2HB LEU 82 1.714 8.950 -1.943 602 2HB LEU 82 1HB LEU 82 1.366 10.548 -2.604 603 HG LEU 82 HG LEU 82 3.134 8.770 -4.215 604 1HD1 LEU 82 1HD1 LEU 82 1.309 7.261 -3.458 605 2HD1 LEU 82 3HD1 LEU 82 0.124 8.417 -4.066 606 3HD1 LEU 82 2HD1 LEU 82 1.209 7.596 -5.188 607 1HD2 LEU 82 2HD2 LEU 82 2.202 11.206 -4.666 608 2HD2 LEU 82 1HD2 LEU 82 2.313 10.040 -5.986 609 3HD2 LEU 82 3HD2 LEU 82 0.764 10.331 -5.192 610 H ALA 83 H ALA 83 3.450 9.702 0.308 611 HA ALA 83 HA ALA 83 2.233 12.028 1.330 612 1HB ALA 83 3HB ALA 83 2.510 9.840 2.553 613 2HB ALA 83 2HB ALA 83 4.203 10.269 2.803 614 3HB ALA 83 1HB ALA 83 2.927 11.269 3.500 615 H GLU 84 H GLU 84 5.562 11.259 0.556 616 HA GLU 84 HA GLU 84 6.743 13.466 1.935 617 1HB GLU 84 2HB GLU 84 7.849 11.292 0.962 618 2HB GLU 84 1HB GLU 84 7.987 12.256 -0.509 619 1HG GLU 84 2HG GLU 84 8.831 13.516 2.066 620 2HG GLU 84 1HG GLU 84 9.893 12.299 1.356 621 H ALA 85 H ALA 85 6.433 12.908 -1.578 622 HA ALA 85 HA ALA 85 6.793 15.699 -2.171 623 1HB ALA 85 3HB ALA 85 7.265 13.541 -3.641 624 2HB ALA 85 2HB ALA 85 5.607 13.821 -4.168 625 3HB ALA 85 1HB ALA 85 6.825 15.075 -4.392 626 H ALA 86 HN ALA 86 4.071 13.516 -2.929 627 HA ALA 86 HA ALA 86 1.804 13.883 -3.037 628 1HB ALA 86 1HB ALA 86 2.365 14.639 -0.603 629 2HB ALA 86 3HB ALA 86 2.117 16.267 -1.236 630 3HB ALA 86 2HB ALA 86 0.809 15.088 -1.302 No H/Q in entry = 630 Start of MODEL 16 1 1H MET 1 2H MET 1 -0.577 16.407 -8.915 2 2H MET 1 1H MET 1 0.981 16.777 -9.480 3 3H MET 1 3H MET 1 0.673 15.264 -8.779 4 HA MET 1 HA MET 1 1.807 16.539 -7.156 5 1HB MET 1 2HB MET 1 1.228 18.733 -8.293 6 2HB MET 1 1HB MET 1 -0.346 18.641 -7.501 7 1HG MET 1 2HG MET 1 0.704 18.626 -5.306 8 2HG MET 1 1HG MET 1 2.307 18.561 -6.037 9 1HE MET 1 2HE MET 1 3.657 20.231 -6.471 10 2HE MET 1 1HE MET 1 2.940 20.637 -8.028 11 3HE MET 1 3HE MET 1 3.321 21.915 -6.866 12 H ALA 2 H ALA 2 -1.708 17.167 -7.267 13 HA ALA 2 HA ALA 2 -1.980 15.845 -4.651 14 1HB ALA 2 3HB ALA 2 -3.842 17.635 -6.226 15 2HB ALA 2 2HB ALA 2 -4.307 16.817 -4.733 16 3HB ALA 2 1HB ALA 2 -3.011 18.014 -4.717 17 H THR 3 H THR 3 -1.773 13.695 -5.417 18 HA THR 3 HA THR 3 -4.283 12.603 -6.421 19 HB THR 3 HB THR 3 -1.754 11.788 -7.834 20 HG1 THR 3 HG1 THR 3 -2.321 13.257 -9.446 21 1HG2 THR 3 3HG2 THR 3 -4.721 11.589 -8.394 22 2HG2 THR 3 2HG2 THR 3 -3.482 11.182 -9.582 23 3HG2 THR 3 1HG2 THR 3 -3.599 10.266 -8.079 24 H LEU 4 H LEU 4 -4.531 11.500 -4.510 25 HA LEU 4 HA LEU 4 -2.404 9.590 -3.764 26 1HB LEU 4 2HB LEU 4 -4.660 10.840 -2.201 27 2HB LEU 4 1HB LEU 4 -3.809 9.409 -1.621 28 HG LEU 4 HG LEU 4 -1.672 10.897 -2.212 29 1HD1 LEU 4 1HD1 LEU 4 -3.975 12.802 -1.939 30 2HD1 LEU 4 3HD1 LEU 4 -2.395 13.270 -1.308 31 3HD1 LEU 4 2HD1 LEU 4 -2.582 12.883 -3.018 32 1HD2 LEU 4 2HD2 LEU 4 -3.428 10.929 0.243 33 2HD2 LEU 4 1HD2 LEU 4 -1.911 10.064 -0.013 34 3HD2 LEU 4 3HD2 LEU 4 -1.903 11.814 0.208 35 H LEU 5 H LEU 5 -3.312 7.520 -2.759 36 HA LEU 5 HA LEU 5 -5.815 6.632 -3.969 37 1HB LEU 5 2HB LEU 5 -4.905 4.807 -5.186 38 2HB LEU 5 1HB LEU 5 -3.952 6.209 -5.643 39 HG LEU 5 HG LEU 5 -3.143 4.116 -3.597 40 1HD1 LEU 5 1HD1 LEU 5 -2.204 4.699 -6.421 41 2HD1 LEU 5 3HD1 LEU 5 -1.372 3.613 -5.307 42 3HD1 LEU 5 2HD1 LEU 5 -3.006 3.232 -5.855 43 1HD2 LEU 5 1HD2 LEU 5 -2.027 6.758 -4.422 44 2HD2 LEU 5 3HD2 LEU 5 -1.990 5.967 -2.847 45 3HD2 LEU 5 2HD2 LEU 5 -0.883 5.451 -4.119 46 H THR 6 H THR 6 -6.272 4.290 -3.298 47 HA THR 6 HA THR 6 -5.193 3.782 -0.595 48 HB THR 6 HB THR 6 -7.454 4.932 -0.580 49 HG1 THR 6 HG1 THR 6 -7.725 3.935 1.219 50 1HG2 THR 6 1HG2 THR 6 -8.072 2.973 -2.505 51 2HG2 THR 6 3HG2 THR 6 -8.981 2.524 -1.062 52 3HG2 THR 6 2HG2 THR 6 -9.182 4.128 -1.766 53 H THR 7 H THR 7 -6.353 1.479 0.091 54 HA THR 7 HA THR 7 -5.021 -0.518 -1.322 55 HB THR 7 HB THR 7 -7.545 -0.844 0.320 56 HG1 THR 7 HG1 THR 7 -5.943 -1.257 1.984 57 1HG2 THR 7 3HG2 THR 7 -6.669 -2.776 -1.118 58 2HG2 THR 7 2HG2 THR 7 -5.270 -2.788 -0.046 59 3HG2 THR 7 1HG2 THR 7 -6.880 -3.100 0.602 60 H ASP 8 H ASP 8 -8.256 0.777 -1.705 61 HA ASP 8 HA ASP 8 -9.388 -1.116 -3.426 62 1HB ASP 8 2HB ASP 8 -9.757 1.886 -3.326 63 2HB ASP 8 1HB ASP 8 -10.746 0.811 -4.313 64 H ASP 9 H ASP 9 -7.360 1.707 -4.130 65 HA ASP 9 HA ASP 9 -7.345 1.475 -6.949 66 1HB ASP 9 2HB ASP 9 -6.259 3.267 -5.169 67 2HB ASP 9 1HB ASP 9 -4.824 2.406 -5.717 68 H LEU 10 H LEU 10 -5.483 -0.039 -4.388 69 HA LEU 10 HA LEU 10 -3.375 -1.210 -5.771 70 1HB LEU 10 2HB LEU 10 -4.155 -1.329 -3.225 71 2HB LEU 10 1HB LEU 10 -4.835 -2.863 -3.752 72 HG LEU 10 HG LEU 10 -1.928 -2.006 -3.899 73 1HD1 LEU 10 2HD1 LEU 10 -2.875 -2.843 -1.716 74 2HD1 LEU 10 1HD1 LEU 10 -3.253 -4.365 -2.529 75 3HD1 LEU 10 3HD1 LEU 10 -1.574 -3.843 -2.364 76 1HD2 LEU 10 3HD2 LEU 10 -3.291 -4.491 -4.998 77 2HD2 LEU 10 2HD2 LEU 10 -2.435 -3.263 -5.932 78 3HD2 LEU 10 1HD2 LEU 10 -1.545 -4.312 -4.826 79 H ARG 11 H ARG 11 -6.443 -2.824 -4.962 80 HA ARG 11 HA ARG 11 -6.106 -5.114 -6.515 81 1HB ARG 11 2HB ARG 11 -8.000 -4.345 -4.803 82 2HB ARG 11 1HB ARG 11 -8.850 -3.976 -6.302 83 1HG ARG 11 2HG ARG 11 -8.340 -6.295 -7.102 84 2HG ARG 11 1HG ARG 11 -7.650 -6.646 -5.517 85 1HD ARG 11 2HD ARG 11 -9.852 -7.408 -5.285 86 2HD ARG 11 1HD ARG 11 -9.933 -5.790 -4.597 87 HE ARG 11 HE ARG 11 -10.546 -5.878 -7.424 88 1HH1 ARG 11 2HH1 ARG 11 -12.173 -7.553 -5.118 89 2HH1 ARG 11 1HH1 ARG 11 -13.620 -6.601 -5.124 90 1HH2 ARG 11 1HH2 ARG 11 -12.253 -4.054 -7.038 91 2HH2 ARG 11 2HH2 ARG 11 -13.665 -4.619 -6.211 92 H ARG 12 H ARG 12 -8.002 -2.219 -7.373 93 HA ARG 12 HA ARG 12 -8.719 -2.961 -9.956 94 1HB ARG 12 2HB ARG 12 -8.311 -0.300 -8.636 95 2HB ARG 12 1HB ARG 12 -8.695 -0.389 -10.356 96 1HG ARG 12 2HG ARG 12 -10.560 -2.084 -9.467 97 2HG ARG 12 1HG ARG 12 -10.373 -1.125 -7.997 98 1HD ARG 12 2HD ARG 12 -10.611 0.336 -10.589 99 2HD ARG 12 1HD ARG 12 -12.067 -0.404 -9.932 100 HE ARG 12 HE ARG 12 -10.789 1.059 -7.880 101 1HH1 ARG 12 2HH1 ARG 12 -10.962 2.513 -10.783 102 2HH1 ARG 12 1HH1 ARG 12 -12.237 3.628 -10.420 103 1HH2 ARG 12 1HH2 ARG 12 -13.102 2.080 -7.441 104 2HH2 ARG 12 2HH2 ARG 12 -13.448 3.383 -8.528 105 H ALA 13 H ALA 13 -5.605 -1.965 -8.801 106 HA ALA 13 HA ALA 13 -4.623 -1.173 -11.412 107 1HB ALA 13 1HB ALA 13 -3.735 -0.132 -9.351 108 2HB ALA 13 3HB ALA 13 -3.096 -1.700 -8.852 109 3HB ALA 13 2HB ALA 13 -2.466 -0.910 -10.298 110 H LEU 14 H LEU 14 -4.403 -3.981 -9.283 111 HA LEU 14 HA LEU 14 -2.492 -5.377 -10.906 112 1HB LEU 14 2HB LEU 14 -4.164 -6.028 -8.525 113 2HB LEU 14 1HB LEU 14 -3.527 -7.368 -9.477 114 HG LEU 14 HG LEU 14 -1.681 -5.128 -8.731 115 1HD1 LEU 14 2HD1 LEU 14 -3.045 -5.987 -6.689 116 2HD1 LEU 14 1HD1 LEU 14 -2.115 -7.472 -6.887 117 3HD1 LEU 14 3HD1 LEU 14 -1.286 -5.951 -6.560 118 1HD2 LEU 14 2HD2 LEU 14 -1.190 -7.190 -10.252 119 2HD2 LEU 14 1HD2 LEU 14 -0.013 -6.770 -9.007 120 3HD2 LEU 14 3HD2 LEU 14 -1.143 -8.096 -8.738 121 H VAL 15 H VAL 15 -5.952 -5.042 -10.953 122 HA VAL 15 HA VAL 15 -6.316 -7.382 -12.661 123 HB VAL 15 HB VAL 15 -8.371 -5.318 -11.840 124 1HG1 VAL 15 3HG1 VAL 15 -8.391 -7.927 -13.290 125 2HG1 VAL 15 2HG1 VAL 15 -9.730 -7.600 -12.191 126 3HG1 VAL 15 1HG1 VAL 15 -9.401 -6.501 -13.531 127 1HG2 VAL 15 3HG2 VAL 15 -7.173 -7.639 -10.411 128 2HG2 VAL 15 2HG2 VAL 15 -7.894 -6.169 -9.759 129 3HG2 VAL 15 1HG2 VAL 15 -8.927 -7.482 -10.320 130 H GLU 16 H GLU 16 -6.156 -3.890 -12.870 131 HA GLU 16 HA GLU 16 -7.291 -3.499 -15.405 132 1HB GLU 16 2HB GLU 16 -5.289 -2.012 -13.758 133 2HB GLU 16 1HB GLU 16 -5.505 -1.552 -15.448 134 1HG GLU 16 2HG GLU 16 -7.975 -1.969 -13.830 135 2HG GLU 16 1HG GLU 16 -7.025 -0.522 -13.488 136 H CYS 17 H CYS 17 -4.224 -4.866 -14.485 137 HA CYS 17 HA CYS 17 -3.109 -4.599 -17.168 138 1HB CYS 17 2HB CYS 17 -2.099 -5.577 -14.530 139 2HB CYS 17 1HB CYS 17 -1.309 -6.143 -16.000 140 HG CYS 17 HG CYS 17 -1.508 -3.218 -16.305 141 H ALA 18 H ALA 18 -4.435 -7.093 -15.046 142 HA ALA 18 HA ALA 18 -3.804 -9.346 -16.610 143 1HB ALA 18 2HB ALA 18 -4.660 -9.480 -14.287 144 2HB ALA 18 1HB ALA 18 -6.241 -8.948 -14.858 145 3HB ALA 18 3HB ALA 18 -5.581 -10.494 -15.397 146 H GLY 19 H GLY 19 -7.033 -7.860 -16.328 147 1HA GLY 19 2HA GLY 19 -7.680 -7.228 -18.867 148 2HA GLY 19 1HA GLY 19 -7.825 -8.984 -18.885 149 H GLU 20 H GLU 20 -9.513 -9.977 -17.827 150 HA GLU 20 HA GLU 20 -11.604 -8.158 -16.791 151 1HB GLU 20 2HB GLU 20 -11.932 -9.741 -18.896 152 2HB GLU 20 1HB GLU 20 -12.236 -10.949 -17.647 153 1HG GLU 20 2HG GLU 20 -14.372 -10.118 -17.833 154 2HG GLU 20 1HG GLU 20 -13.745 -8.959 -16.661 155 H THR 21 H THR 21 -10.536 -11.548 -16.462 156 HA THR 21 HA THR 21 -10.090 -11.446 -13.685 157 HB THR 21 HB THR 21 -12.478 -11.118 -13.425 158 HG1 THR 21 HG1 THR 21 -11.620 -12.500 -11.927 159 1HG2 THR 21 3HG2 THR 21 -12.821 -12.331 -15.776 160 2HG2 THR 21 2HG2 THR 21 -13.110 -13.725 -14.736 161 3HG2 THR 21 1HG2 THR 21 -14.108 -12.280 -14.571 162 H ASP 22 H ASP 22 -8.626 -12.987 -13.487 163 HA ASP 22 HA ASP 22 -8.789 -15.365 -15.208 164 1HB ASP 22 2HB ASP 22 -6.456 -15.782 -14.428 165 2HB ASP 22 1HB ASP 22 -6.645 -14.231 -15.246 166 H GLY 23 H GLY 23 -10.497 -14.916 -12.796 167 1HA GLY 23 2HA GLY 23 -11.371 -16.849 -11.590 168 2HA GLY 23 1HA GLY 23 -9.707 -17.360 -11.327 169 H THR 24 H THR 24 -8.384 -16.146 -9.874 170 HA THR 24 HA THR 24 -7.939 -15.048 -7.911 171 HB THR 24 HB THR 24 -10.419 -13.416 -8.069 172 HG1 THR 24 HG1 THR 24 -9.991 -12.698 -9.980 173 1HG2 THR 24 2HG2 THR 24 -7.515 -13.043 -7.382 174 2HG2 THR 24 1HG2 THR 24 -8.537 -11.647 -7.720 175 3HG2 THR 24 3HG2 THR 24 -8.934 -12.730 -6.385 176 H ASP 25 H ASP 25 -8.242 -15.690 -5.889 177 HA ASP 25 HA ASP 25 -10.949 -16.518 -5.043 178 1HB ASP 25 2HB ASP 25 -9.376 -18.462 -5.666 179 2HB ASP 25 1HB ASP 25 -8.478 -18.027 -4.211 180 H LEU 26 H LEU 26 -9.544 -14.053 -4.570 181 HA LEU 26 HA LEU 26 -9.478 -14.153 -1.633 182 1HB LEU 26 2HB LEU 26 -7.480 -12.685 -1.600 183 2HB LEU 26 1HB LEU 26 -7.134 -14.263 -2.294 184 HG LEU 26 HG LEU 26 -8.027 -12.216 -4.238 185 1HD1 LEU 26 2HD1 LEU 26 -5.878 -11.630 -2.364 186 2HD1 LEU 26 1HD1 LEU 26 -5.261 -11.730 -4.011 187 3HD1 LEU 26 3HD1 LEU 26 -6.561 -10.604 -3.625 188 1HD2 LEU 26 1HD2 LEU 26 -7.128 -14.641 -4.581 189 2HD2 LEU 26 3HD2 LEU 26 -6.555 -13.372 -5.663 190 3HD2 LEU 26 2HD2 LEU 26 -5.541 -13.915 -4.328 191 H SER 27 H SER 27 -11.680 -13.304 -2.399 192 HA SER 27 HA SER 27 -11.745 -10.583 -3.355 193 1HB SER 27 2HB SER 27 -13.842 -12.535 -2.463 194 2HB SER 27 1HB SER 27 -14.241 -10.841 -2.738 195 HG SER 27 HG SER 27 -13.696 -11.049 -4.842 196 H GLY 28 H GLY 28 -11.746 -12.152 -0.275 197 1HA GLY 28 2HA GLY 28 -12.911 -10.104 1.297 198 2HA GLY 28 1HA GLY 28 -11.805 -11.341 1.888 199 H ASP 29 H ASP 29 -10.026 -10.540 2.783 200 HA ASP 29 HA ASP 29 -9.218 -7.854 2.664 201 1HB ASP 29 2HB ASP 29 -8.509 -9.900 4.237 202 2HB ASP 29 1HB ASP 29 -7.132 -9.924 3.135 203 H PHE 30 H PHE 30 -8.670 -10.478 0.480 204 HA PHE 30 HA PHE 30 -7.355 -10.779 -1.347 205 1HB PHE 30 2HB PHE 30 -8.027 -9.417 -3.037 206 2HB PHE 30 1HB PHE 30 -9.146 -8.856 -1.812 207 HD1 PHE 30 HD1 PHE 30 -8.635 -6.712 -0.560 208 HD2 PHE 30 HD2 PHE 30 -6.364 -7.991 -3.971 209 HE1 PHE 30 HE1 PHE 30 -7.770 -4.414 -0.848 210 HE2 PHE 30 HE2 PHE 30 -5.490 -5.703 -4.252 211 HZ PHE 30 HZ PHE 30 -6.188 -3.902 -2.691 212 H LEU 31 H LEU 31 -5.886 -9.932 1.074 213 HA LEU 31 HA LEU 31 -3.441 -9.082 -0.321 214 1HB LEU 31 2HB LEU 31 -4.455 -7.931 2.290 215 2HB LEU 31 1HB LEU 31 -2.843 -7.650 1.628 216 HG LEU 31 HG LEU 31 -5.332 -7.080 0.016 217 1HD1 LEU 31 3HD1 LEU 31 -5.116 -5.835 2.318 218 2HD1 LEU 31 2HD1 LEU 31 -3.845 -4.931 1.494 219 3HD1 LEU 31 1HD1 LEU 31 -5.493 -4.915 0.861 220 1HD2 LEU 31 3HD2 LEU 31 -2.399 -6.585 -0.190 221 2HD2 LEU 31 2HD2 LEU 31 -3.570 -6.944 -1.460 222 3HD2 LEU 31 1HD2 LEU 31 -3.468 -5.316 -0.787 223 H ASP 32 H ASP 32 -3.291 -11.484 -0.180 224 HA ASP 32 HA ASP 32 -1.619 -12.197 2.073 225 1HB ASP 32 2HB ASP 32 -4.339 -13.422 1.675 226 2HB ASP 32 1HB ASP 32 -3.031 -14.343 2.417 227 H LEU 33 H LEU 33 -3.426 -13.387 -0.751 228 HA LEU 33 HA LEU 33 -0.987 -14.835 -1.586 229 1HB LEU 33 2HB LEU 33 -3.856 -15.777 -1.730 230 2HB LEU 33 1HB LEU 33 -2.538 -16.536 -2.622 231 HG LEU 33 HG LEU 33 -1.408 -16.492 -0.187 232 1HD1 LEU 33 1HD1 LEU 33 -3.567 -15.392 0.676 233 2HD1 LEU 33 3HD1 LEU 33 -4.321 -16.970 0.454 234 3HD1 LEU 33 2HD1 LEU 33 -2.973 -16.788 1.576 235 1HD2 LEU 33 2HD2 LEU 33 -3.380 -18.496 -1.315 236 2HD2 LEU 33 1HD2 LEU 33 -1.621 -18.521 -1.451 237 3HD2 LEU 33 3HD2 LEU 33 -2.390 -18.827 0.107 238 H ARG 34 H ARG 34 -1.713 -12.193 -2.340 239 HA ARG 34 HA ARG 34 -2.976 -12.286 -4.939 240 1HB ARG 34 2HB ARG 34 -3.143 -10.285 -3.475 241 2HB ARG 34 1HB ARG 34 -1.407 -10.036 -3.650 242 1HG ARG 34 2HG ARG 34 -2.535 -8.608 -5.251 243 2HG ARG 34 1HG ARG 34 -1.741 -9.907 -6.140 244 1HD ARG 34 2HD ARG 34 -4.557 -10.339 -5.243 245 2HD ARG 34 1HD ARG 34 -4.283 -9.260 -6.606 246 HE ARG 34 HE ARG 34 -2.905 -11.789 -6.854 247 1HH1 ARG 34 1HH2 ARG 34 -4.908 -9.686 -8.449 248 2HH1 ARG 34 2HH2 ARG 34 -5.896 -10.883 -9.220 249 1HH2 ARG 34 2HH1 ARG 34 -4.602 -13.522 -7.381 250 2HH2 ARG 34 1HH1 ARG 34 -5.722 -13.053 -8.617 251 H PHE 35 H PHE 35 0.254 -11.090 -3.987 252 HA PHE 35 HA PHE 35 1.350 -11.331 -6.582 253 1HB PHE 35 2HB PHE 35 2.523 -10.980 -3.841 254 2HB PHE 35 1HB PHE 35 3.582 -11.316 -5.212 255 HD1 PHE 35 HD2 PHE 35 0.482 -9.247 -4.726 256 HD2 PHE 35 HD1 PHE 35 4.573 -9.366 -6.050 257 HE1 PHE 35 HE2 PHE 35 0.330 -6.873 -5.428 258 HE2 PHE 35 HE1 PHE 35 4.412 -6.999 -6.743 259 HZ PHE 35 HZ PHE 35 2.299 -5.754 -6.437 260 H GLU 36 H GLU 36 1.510 -13.449 -3.736 261 HA GLU 36 HA GLU 36 2.997 -15.464 -5.222 262 1HB GLU 36 2HB GLU 36 2.834 -16.771 -3.107 263 2HB GLU 36 1HB GLU 36 3.564 -15.183 -2.881 264 1HG GLU 36 2HG GLU 36 0.728 -14.891 -2.590 265 2HG GLU 36 1HG GLU 36 1.234 -16.263 -1.607 266 H ASP 37 H ASP 37 1.275 -15.647 -6.850 267 HA ASP 37 HA ASP 37 -0.764 -17.604 -5.990 268 1HB ASP 37 2HB ASP 37 -1.531 -15.130 -6.588 269 2HB ASP 37 1HB ASP 37 -1.396 -15.745 -8.236 270 H ILE 38 H ILE 38 0.393 -16.123 -9.028 271 HA ILE 38 HA ILE 38 0.396 -18.767 -10.280 272 HB ILE 38 HB ILE 38 0.695 -17.590 -12.383 273 1HG1 ILE 38 2HG1 ILE 38 0.863 -15.032 -10.756 274 2HG1 ILE 38 1HG1 ILE 38 2.265 -15.832 -11.464 275 1HG2 ILE 38 3HG2 ILE 38 -1.535 -17.524 -10.914 276 2HG2 ILE 38 2HG2 ILE 38 -1.215 -15.788 -10.962 277 3HG2 ILE 38 1HG2 ILE 38 -1.429 -16.689 -12.465 278 1HD1 ILE 38 1HD1 ILE 38 1.133 -15.672 -13.707 279 2HD1 ILE 38 3HD1 ILE 38 -0.118 -14.691 -12.944 280 3HD1 ILE 38 2HD1 ILE 38 1.546 -14.109 -13.001 281 H GLY 39 H GLY 39 2.595 -16.254 -9.242 282 1HA GLY 39 2HA GLY 39 4.806 -17.342 -8.518 283 2HA GLY 39 1HA GLY 39 4.898 -17.830 -10.208 284 H TYR 40 H TYR 40 3.800 -14.775 -8.750 285 HA TYR 40 HA TYR 40 5.166 -13.166 -10.668 286 1HB TYR 40 2HB TYR 40 3.708 -12.632 -8.104 287 2HB TYR 40 1HB TYR 40 4.698 -11.360 -8.808 288 HD1 TYR 40 HD1 TYR 40 1.975 -13.794 -9.682 289 HD2 TYR 40 HD2 TYR 40 3.852 -10.020 -10.528 290 HE1 TYR 40 HE1 TYR 40 0.161 -13.245 -11.280 291 HE2 TYR 40 HE2 TYR 40 2.036 -9.476 -12.127 292 HH TYR 40 HH TYR 40 -0.486 -10.246 -12.372 293 H ASP 41 H ASP 41 7.361 -13.806 -10.621 294 HA ASP 41 HA ASP 41 8.912 -13.926 -8.262 295 1HB ASP 41 2HB ASP 41 10.875 -13.866 -9.733 296 2HB ASP 41 1HB ASP 41 9.657 -14.976 -10.352 297 H SER 42 H SER 42 8.481 -11.333 -10.657 298 HA SER 42 HA SER 42 8.368 -9.147 -9.050 299 1HB SER 42 2HB SER 42 10.466 -9.525 -7.966 300 2HB SER 42 1HB SER 42 11.267 -9.914 -9.485 301 HG SER 42 HG SER 42 10.223 -7.403 -8.653 302 H LEU 43 H LEU 43 10.116 -10.420 -11.847 303 HA LEU 43 HA LEU 43 10.290 -8.058 -13.354 304 1HB LEU 43 2HB LEU 43 11.214 -10.526 -13.754 305 2HB LEU 43 1HB LEU 43 9.780 -10.626 -14.776 306 HG LEU 43 HG LEU 43 10.559 -8.371 -15.764 307 1HD1 LEU 43 3HD1 LEU 43 13.086 -9.316 -14.380 308 2HD1 LEU 43 2HD1 LEU 43 13.047 -8.071 -15.628 309 3HD1 LEU 43 1HD1 LEU 43 12.227 -7.803 -14.089 310 1HD2 LEU 43 1HD2 LEU 43 12.021 -10.990 -16.177 311 2HD2 LEU 43 3HD2 LEU 43 10.677 -10.344 -17.117 312 3HD2 LEU 43 2HD2 LEU 43 12.269 -9.593 -17.223 313 H ALA 44 H ALA 44 7.709 -10.466 -13.110 314 HA ALA 44 HA ALA 44 6.068 -9.535 -15.192 315 1HB ALA 44 1HB ALA 44 5.347 -10.894 -12.588 316 2HB ALA 44 3HB ALA 44 4.203 -10.609 -13.899 317 3HB ALA 44 2HB ALA 44 5.596 -11.660 -14.156 318 H LEU 45 H LEU 45 5.733 -8.893 -11.698 319 HA LEU 45 HA LEU 45 3.808 -6.818 -12.085 320 1HB LEU 45 2HB LEU 45 4.145 -6.369 -9.670 321 2HB LEU 45 1HB LEU 45 3.833 -8.066 -10.019 322 HG LEU 45 HG LEU 45 6.588 -7.925 -10.205 323 1HD1 LEU 45 2HD1 LEU 45 5.970 -5.545 -9.024 324 2HD1 LEU 45 1HD1 LEU 45 6.130 -6.585 -7.608 325 3HD1 LEU 45 3HD1 LEU 45 7.474 -6.421 -8.738 326 1HD2 LEU 45 2HD2 LEU 45 4.587 -8.857 -8.217 327 2HD2 LEU 45 1HD2 LEU 45 5.877 -9.753 -9.017 328 3HD2 LEU 45 3HD2 LEU 45 6.245 -8.727 -7.631 329 H MET 46 H MET 46 7.153 -6.822 -12.561 330 HA MET 46 HA MET 46 7.772 -4.196 -11.609 331 1HB MET 46 2HB MET 46 9.491 -5.973 -12.077 332 2HB MET 46 1HB MET 46 9.189 -5.734 -13.797 333 1HG MET 46 2HG MET 46 9.611 -3.200 -13.221 334 2HG MET 46 1HG MET 46 10.448 -3.861 -11.817 335 1HE MET 46 2HE MET 46 12.659 -3.373 -12.011 336 2HE MET 46 1HE MET 46 13.712 -3.470 -13.420 337 3HE MET 46 3HE MET 46 12.426 -2.256 -13.354 338 H GLU 47 H GLU 47 6.512 -5.534 -14.591 339 HA GLU 47 HA GLU 47 6.833 -3.097 -16.106 340 1HB GLU 47 2HB GLU 47 6.660 -5.541 -16.992 341 2HB GLU 47 1HB GLU 47 4.920 -5.294 -16.841 342 1HG GLU 47 2HG GLU 47 4.910 -3.532 -18.408 343 2HG GLU 47 1HG GLU 47 6.650 -3.277 -18.263 344 H THR 48 H THR 48 4.357 -4.571 -14.121 345 HA THR 48 HA THR 48 2.173 -2.967 -14.997 346 HB THR 48 HB THR 48 2.541 -4.266 -12.288 347 HG1 THR 48 HG1 THR 48 2.769 -5.844 -13.800 348 1HG2 THR 48 1HG2 THR 48 0.368 -2.817 -13.623 349 2HG2 THR 48 3HG2 THR 48 -0.115 -4.414 -13.052 350 3HG2 THR 48 2HG2 THR 48 0.559 -3.241 -11.921 351 H ALA 49 H ALA 49 4.463 -2.695 -12.295 352 HA ALA 49 HA ALA 49 3.329 -0.309 -11.220 353 1HB ALA 49 1HB ALA 49 4.945 -1.985 -10.087 354 2HB ALA 49 3HB ALA 49 6.220 -1.079 -10.902 355 3HB ALA 49 2HB ALA 49 5.159 -0.268 -9.750 356 H ALA 50 H ALA 50 6.318 -0.862 -13.085 357 HA ALA 50 HA ALA 50 7.072 1.794 -13.445 358 1HB ALA 50 3HB ALA 50 7.487 -0.636 -15.185 359 2HB ALA 50 2HB ALA 50 8.195 0.934 -15.565 360 3HB ALA 50 1HB ALA 50 8.629 0.110 -14.066 361 H ARG 51 H ARG 51 4.605 -0.068 -15.073 362 HA ARG 51 HA ARG 51 4.273 1.691 -17.305 363 1HB ARG 51 2HB ARG 51 2.719 -0.567 -16.117 364 2HB ARG 51 1HB ARG 51 1.899 0.517 -17.240 365 1HG ARG 51 2HG ARG 51 4.586 -0.676 -17.911 366 2HG ARG 51 1HG ARG 51 3.091 -1.554 -18.236 367 1HD ARG 51 2HD ARG 51 2.380 -0.028 -19.832 368 2HD ARG 51 1HD ARG 51 3.300 1.295 -19.126 369 HE ARG 51 HE ARG 51 5.316 -0.117 -20.006 370 1HH1 ARG 51 1HH2 ARG 51 3.970 -2.065 -21.653 371 2HH1 ARG 51 2HH2 ARG 51 3.767 -1.283 -23.185 372 1HH2 ARG 51 2HH1 ARG 51 4.291 1.905 -21.927 373 2HH2 ARG 51 1HH1 ARG 51 3.947 0.964 -23.340 374 H LEU 52 H LEU 52 2.537 1.262 -14.229 375 HA LEU 52 HA LEU 52 0.952 3.663 -14.738 376 1HB LEU 52 2HB LEU 52 0.882 1.469 -12.703 377 2HB LEU 52 1HB LEU 52 0.105 3.010 -12.337 378 HG LEU 52 HG LEU 52 -0.408 1.476 -14.896 379 1HD1 LEU 52 2HD1 LEU 52 -1.050 0.241 -12.744 380 2HD1 LEU 52 1HD1 LEU 52 -2.204 1.545 -12.463 381 3HD1 LEU 52 3HD1 LEU 52 -2.355 0.528 -13.897 382 1HD2 LEU 52 2HD2 LEU 52 -1.598 3.877 -13.514 383 2HD2 LEU 52 1HD2 LEU 52 -1.074 3.716 -15.191 384 3HD2 LEU 52 3HD2 LEU 52 -2.559 2.931 -14.651 385 H GLU 53 H GLU 53 4.024 3.409 -13.873 386 HA GLU 53 HA GLU 53 3.951 5.081 -11.479 387 1HB GLU 53 2HB GLU 53 6.100 3.648 -12.995 388 2HB GLU 53 1HB GLU 53 6.534 4.977 -11.919 389 1HG GLU 53 2HG GLU 53 4.637 2.933 -10.862 390 2HG GLU 53 1HG GLU 53 6.325 2.454 -11.037 391 H SER 54 H SER 54 3.221 5.904 -14.438 392 HA SER 54 HA SER 54 5.072 8.178 -14.685 393 1HB SER 54 2HB SER 54 2.927 7.295 -16.625 394 2HB SER 54 1HB SER 54 4.221 8.453 -16.921 395 HG SER 54 HG SER 54 5.114 6.662 -17.670 396 H ARG 55 H ARG 55 1.578 7.489 -14.817 397 HA ARG 55 HA ARG 55 0.693 10.152 -14.739 398 1HB ARG 55 2HB ARG 55 -1.445 9.155 -13.799 399 2HB ARG 55 1HB ARG 55 -0.896 8.476 -15.331 400 1HG ARG 55 2HG ARG 55 -0.353 6.450 -14.396 401 2HG ARG 55 1HG ARG 55 0.120 7.169 -12.857 402 1HD ARG 55 2HD ARG 55 -2.404 7.704 -12.579 403 2HD ARG 55 1HD ARG 55 -2.646 6.516 -13.855 404 HE ARG 55 HE ARG 55 -0.997 5.566 -11.670 405 1HH1 ARG 55 1HH1 ARG 55 -4.889 5.059 -11.319 406 2HH1 ARG 55 2HH1 ARG 55 -4.195 6.584 -11.756 407 1HH2 ARG 55 1HH2 ARG 55 -1.904 3.317 -11.594 408 2HH2 ARG 55 2HH2 ARG 55 -3.593 3.210 -11.228 409 H TYR 56 H TYR 56 1.799 8.024 -12.199 410 HA TYR 56 HA TYR 56 0.840 9.798 -10.088 411 1HB TYR 56 2HB TYR 56 2.118 7.105 -10.198 412 2HB TYR 56 1HB TYR 56 2.357 8.066 -8.738 413 HD1 TYR 56 HD1 TYR 56 -0.570 7.733 -11.077 414 HD2 TYR 56 HD2 TYR 56 0.922 7.268 -7.073 415 HE1 TYR 56 HE1 TYR 56 -2.844 7.126 -10.298 416 HE2 TYR 56 HE2 TYR 56 -1.353 6.664 -6.298 417 HH TYR 56 HH TYR 56 -4.070 7.296 -7.901 418 H GLY 57 H GLY 57 3.793 9.022 -11.799 419 1HA GLY 57 2HA GLY 57 5.863 10.025 -11.828 420 2HA GLY 57 1HA GLY 57 5.076 11.437 -11.132 421 H VAL 58 H VAL 58 4.941 8.369 -9.482 422 HA VAL 58 HA VAL 58 6.374 9.508 -7.228 423 HB VAL 58 HB VAL 58 4.295 8.236 -6.868 424 1HG1 VAL 58 2HG1 VAL 58 5.281 6.528 -8.811 425 2HG1 VAL 58 1HG1 VAL 58 5.490 5.595 -7.330 426 3HG1 VAL 58 3HG1 VAL 58 3.895 6.201 -7.773 427 1HG2 VAL 58 2HG2 VAL 58 6.264 8.262 -5.218 428 2HG2 VAL 58 1HG2 VAL 58 5.048 7.003 -4.994 429 3HG2 VAL 58 3HG2 VAL 58 6.587 6.616 -5.766 430 H SER 59 H SER 59 8.080 8.270 -6.145 431 HA SER 59 HA SER 59 10.225 7.657 -7.857 432 1HB SER 59 2HB SER 59 11.080 6.461 -5.660 433 2HB SER 59 1HB SER 59 10.960 8.216 -5.740 434 HG SER 59 HG SER 59 9.857 7.740 -3.944 435 H ILE 60 H ILE 60 11.312 5.627 -8.195 436 HA ILE 60 HA ILE 60 9.568 3.260 -7.934 437 HB ILE 60 HB ILE 60 9.378 4.072 -10.237 438 1HG1 ILE 60 2HG1 ILE 60 10.206 2.018 -11.407 439 2HG1 ILE 60 1HG1 ILE 60 11.086 1.581 -9.942 440 1HG2 ILE 60 2HG2 ILE 60 11.822 5.079 -10.038 441 2HG2 ILE 60 1HG2 ILE 60 12.276 3.527 -10.742 442 3HG2 ILE 60 3HG2 ILE 60 11.169 4.595 -11.603 443 1HD1 ILE 60 2HD1 ILE 60 8.099 2.080 -10.010 444 2HD1 ILE 60 1HD1 ILE 60 8.823 0.479 -10.161 445 3HD1 ILE 60 3HD1 ILE 60 9.038 1.407 -8.677 446 HA PRO 61 HA PRO 61 13.751 2.194 -6.384 447 1HB PRO 61 2HB PRO 61 12.897 0.901 -4.135 448 2HB PRO 61 1HB PRO 61 13.158 2.649 -4.222 449 1HG PRO 61 2HG PRO 61 10.621 1.135 -4.131 450 2HG PRO 61 1HG PRO 61 10.958 2.802 -3.643 451 1HD PRO 61 2HD PRO 61 9.704 1.953 -6.057 452 2HD PRO 61 1HD PRO 61 10.230 3.604 -5.651 453 H ASP 62 H ASP 62 14.494 0.564 -7.645 454 HA ASP 62 HA ASP 62 13.008 -1.771 -8.303 455 1HB ASP 62 2HB ASP 62 15.839 -0.882 -8.698 456 2HB ASP 62 1HB ASP 62 15.416 -2.569 -8.993 457 H ASP 63 H ASP 63 14.972 -0.952 -5.580 458 HA ASP 63 HA ASP 63 15.821 -3.573 -4.868 459 1HB ASP 63 2HB ASP 63 15.601 -0.959 -3.412 460 2HB ASP 63 1HB ASP 63 15.953 -2.439 -2.519 461 H VAL 64 H VAL 64 13.517 -1.564 -3.038 462 HA VAL 64 HA VAL 64 12.330 -3.794 -1.752 463 HB VAL 64 HB VAL 64 12.316 -1.516 -0.802 464 1HG1 VAL 64 3HG1 VAL 64 11.805 -0.444 -3.083 465 2HG1 VAL 64 2HG1 VAL 64 10.119 -0.847 -2.758 466 3HG1 VAL 64 1HG1 VAL 64 10.990 0.239 -1.676 467 1HG2 VAL 64 2HG2 VAL 64 10.630 -3.250 -0.124 468 2HG2 VAL 64 1HG2 VAL 64 10.057 -1.595 0.085 469 3HG2 VAL 64 3HG2 VAL 64 9.509 -2.550 -1.293 470 H ALA 65 H ALA 65 11.263 -1.794 -4.486 471 HA ALA 65 HA ALA 65 8.766 -3.086 -4.854 472 1HB ALA 65 3HB ALA 65 9.718 -0.850 -5.871 473 2HB ALA 65 2HB ALA 65 10.252 -1.914 -7.173 474 3HB ALA 65 1HB ALA 65 8.539 -1.804 -6.769 475 H GLY 66 H GLY 66 12.005 -3.721 -6.083 476 1HA GLY 66 2HA GLY 66 11.225 -5.698 -7.995 477 2HA GLY 66 1HA GLY 66 12.853 -5.438 -7.377 478 H ARG 67 H ARG 67 11.918 -5.745 -4.568 479 HA ARG 67 HA ARG 67 11.658 -8.692 -4.575 480 1HB ARG 67 2HB ARG 67 13.784 -7.517 -3.625 481 2HB ARG 67 1HB ARG 67 12.746 -7.126 -2.252 482 1HG ARG 67 2HG ARG 67 12.598 -9.306 -1.564 483 2HG ARG 67 1HG ARG 67 12.653 -9.939 -3.210 484 1HD ARG 67 2HD ARG 67 15.140 -8.915 -3.058 485 2HD ARG 67 1HD ARG 67 14.883 -9.280 -1.355 486 HE ARG 67 HE ARG 67 14.802 -11.580 -1.894 487 1HH1 ARG 67 2HH1 ARG 67 13.891 -10.130 -4.774 488 2HH1 ARG 67 1HH1 ARG 67 14.830 -11.151 -5.810 489 1HH2 ARG 67 1HH2 ARG 67 16.542 -12.668 -3.204 490 2HH2 ARG 67 2HH2 ARG 67 16.332 -12.588 -4.921 491 H VAL 68 H VAL 68 9.323 -7.311 -4.810 492 HA VAL 68 HA VAL 68 8.198 -7.057 -2.111 493 HB VAL 68 HB VAL 68 7.691 -5.287 -3.784 494 1HG1 VAL 68 3HG1 VAL 68 7.532 -7.175 -5.656 495 2HG1 VAL 68 2HG1 VAL 68 5.830 -7.157 -5.197 496 3HG1 VAL 68 1HG1 VAL 68 6.600 -5.685 -5.787 497 1HG2 VAL 68 3HG2 VAL 68 6.099 -6.172 -1.892 498 2HG2 VAL 68 2HG2 VAL 68 5.477 -5.034 -3.088 499 3HG2 VAL 68 1HG2 VAL 68 5.125 -6.755 -3.242 500 H ASP 69 H ASP 69 7.395 -8.810 -1.187 501 HA ASP 69 HA ASP 69 6.441 -11.027 -2.868 502 1HB ASP 69 2HB ASP 69 7.045 -10.883 0.096 503 2HB ASP 69 1HB ASP 69 6.458 -12.321 -0.739 504 H THR 70 H THR 70 5.418 -8.965 -0.170 505 HA THR 70 HA THR 70 2.714 -10.042 -0.248 506 HB THR 70 HB THR 70 2.388 -8.101 1.472 507 HG1 THR 70 HG1 THR 70 4.413 -7.588 2.451 508 1HG2 THR 70 1HG2 THR 70 4.164 -10.506 1.963 509 2HG2 THR 70 3HG2 THR 70 3.429 -9.539 3.243 510 3HG2 THR 70 2HG2 THR 70 2.409 -10.438 2.120 511 HA PRO 71 HA PRO 71 1.203 -6.880 -2.962 512 1HB PRO 71 2HB PRO 71 -1.462 -7.021 -2.379 513 2HB PRO 71 1HB PRO 71 -0.598 -8.245 -3.323 514 1HG PRO 71 2HG PRO 71 -1.599 -8.379 -0.542 515 2HG PRO 71 1HG PRO 71 -1.297 -9.687 -1.694 516 1HD PRO 71 2HD PRO 71 0.377 -8.911 0.469 517 2HD PRO 71 1HD PRO 71 0.780 -10.062 -0.828 518 H ARG 72 H ARG 72 -0.217 -6.776 0.303 519 HA ARG 72 HA ARG 72 -1.095 -4.116 0.299 520 1HB ARG 72 2HB ARG 72 -1.517 -5.949 2.051 521 2HB ARG 72 1HB ARG 72 0.030 -5.466 2.746 522 1HG ARG 72 2HG ARG 72 -0.734 -3.304 3.268 523 2HG ARG 72 1HG ARG 72 -2.081 -3.406 2.132 524 1HD ARG 72 2HD ARG 72 -2.776 -5.445 3.694 525 2HD ARG 72 1HD ARG 72 -1.822 -4.557 4.878 526 HE ARG 72 HE ARG 72 -3.426 -2.618 3.942 527 1HH1 ARG 72 1HH2 ARG 72 -5.722 -3.666 3.035 528 2HH1 ARG 72 2HH2 ARG 72 -6.609 -4.326 4.369 529 1HH2 ARG 72 2HH1 ARG 72 -3.864 -4.431 6.485 530 2HH2 ARG 72 1HH1 ARG 72 -5.557 -4.758 6.322 531 H GLU 73 H GLU 73 2.105 -5.457 0.694 532 HA GLU 73 HA GLU 73 3.354 -3.234 1.926 533 1HB GLU 73 2HB GLU 73 4.306 -5.591 1.627 534 2HB GLU 73 1HB GLU 73 4.710 -5.101 -0.019 535 1HG GLU 73 2HG GLU 73 6.668 -4.561 1.146 536 2HG GLU 73 1HG GLU 73 5.801 -3.025 1.149 537 H LEU 74 H LEU 74 3.065 -4.194 -1.491 538 HA LEU 74 HA LEU 74 4.495 -2.110 -2.667 539 1HB LEU 74 2HB LEU 74 3.240 -4.224 -3.682 540 2HB LEU 74 1HB LEU 74 1.987 -3.023 -3.998 541 HG LEU 74 HG LEU 74 4.132 -1.633 -4.851 542 1HD1 LEU 74 2HD1 LEU 74 4.864 -4.539 -4.928 543 2HD1 LEU 74 1HD1 LEU 74 5.371 -3.503 -6.264 544 3HD1 LEU 74 3HD1 LEU 74 5.887 -3.136 -4.618 545 1HD2 LEU 74 2HD2 LEU 74 2.550 -3.726 -6.375 546 2HD2 LEU 74 1HD2 LEU 74 2.155 -2.016 -6.201 547 3HD2 LEU 74 3HD2 LEU 74 3.559 -2.505 -7.150 548 H LEU 75 H LEU 75 1.176 -2.200 -1.506 549 HA LEU 75 HA LEU 75 0.322 0.273 -2.599 550 1HB LEU 75 2HB LEU 75 -1.248 -1.417 -1.725 551 2HB LEU 75 1HB LEU 75 -0.627 -1.153 -0.098 552 HG LEU 75 HG LEU 75 -1.254 1.375 -0.623 553 1HD1 LEU 75 1HD1 LEU 75 -2.581 -0.206 -2.749 554 2HD1 LEU 75 3HD1 LEU 75 -3.608 0.961 -1.916 555 3HD1 LEU 75 2HD1 LEU 75 -2.136 1.501 -2.724 556 1HD2 LEU 75 1HD2 LEU 75 -3.258 -0.797 0.048 557 2HD2 LEU 75 3HD2 LEU 75 -2.195 0.028 1.189 558 3HD2 LEU 75 2HD2 LEU 75 -3.481 0.922 0.378 559 H ASP 76 H ASP 76 1.567 -0.575 0.632 560 HA ASP 76 HA ASP 76 1.565 2.124 1.559 561 1HB ASP 76 2HB ASP 76 2.678 -0.461 2.566 562 2HB ASP 76 1HB ASP 76 3.246 1.047 3.282 563 H LEU 77 H LEU 77 3.614 0.562 -0.647 564 HA LEU 77 HA LEU 77 6.031 1.981 0.111 565 1HB LEU 77 2HB LEU 77 5.324 0.218 -2.239 566 2HB LEU 77 1HB LEU 77 6.878 1.039 -2.092 567 HG LEU 77 HG LEU 77 5.847 -0.594 0.201 568 1HD1 LEU 77 3HD1 LEU 77 6.690 -1.594 -2.449 569 2HD1 LEU 77 2HD1 LEU 77 7.538 -2.326 -1.087 570 3HD1 LEU 77 1HD1 LEU 77 5.781 -2.407 -1.176 571 1HD2 LEU 77 3HD2 LEU 77 7.916 0.943 0.224 572 2HD2 LEU 77 2HD2 LEU 77 8.145 -0.710 0.794 573 3HD2 LEU 77 1HD2 LEU 77 8.667 -0.256 -0.828 574 H ILE 78 H ILE 78 3.990 1.942 -2.815 575 HA ILE 78 HA ILE 78 5.111 4.370 -3.844 576 HB ILE 78 HB ILE 78 2.467 3.106 -4.595 577 1HG1 ILE 78 2HG1 ILE 78 4.280 1.434 -4.716 578 2HG1 ILE 78 1HG1 ILE 78 3.747 1.894 -6.330 579 1HG2 ILE 78 2HG2 ILE 78 4.216 5.242 -5.711 580 2HG2 ILE 78 1HG2 ILE 78 3.460 4.146 -6.867 581 3HG2 ILE 78 3HG2 ILE 78 2.460 5.086 -5.758 582 1HD1 ILE 78 2HD1 ILE 78 5.651 3.543 -6.413 583 2HD1 ILE 78 1HD1 ILE 78 6.226 2.874 -4.885 584 3HD1 ILE 78 3HD1 ILE 78 6.169 1.859 -6.327 585 H ASN 79 H ASN 79 2.100 3.546 -2.205 586 HA ASN 79 HA ASN 79 0.917 6.111 -2.259 587 1HB ASN 79 2HB ASN 79 -0.210 3.895 -1.706 588 2HB ASN 79 1HB ASN 79 0.509 4.034 -0.104 589 1HD2 ASN 79 2HD2 ASN 79 -2.796 5.577 0.260 590 2HD2 ASN 79 1HD2 ASN 79 -2.139 4.023 0.075 591 H GLY 80 H GLY 80 2.877 4.453 0.199 592 1HA GLY 80 2HA GLY 80 2.822 6.553 2.108 593 2HA GLY 80 1HA GLY 80 3.993 5.239 2.058 594 H ALA 81 H ALA 81 4.781 5.944 -0.723 595 HA ALA 81 HA ALA 81 6.991 7.585 -0.150 596 1HB ALA 81 3HB ALA 81 6.830 6.000 -2.082 597 2HB ALA 81 2HB ALA 81 5.744 7.144 -2.871 598 3HB ALA 81 1HB ALA 81 7.412 7.603 -2.528 599 H LEU 82 H LEU 82 4.134 8.366 -2.148 600 HA LEU 82 HA LEU 82 4.725 11.125 -2.375 601 1HB LEU 82 2HB LEU 82 2.267 9.462 -2.807 602 2HB LEU 82 1HB LEU 82 2.146 11.222 -2.828 603 HG LEU 82 HG LEU 82 4.304 9.871 -4.422 604 1HD1 LEU 82 3HD1 LEU 82 2.061 8.790 -4.931 605 2HD1 LEU 82 2HD1 LEU 82 1.504 10.377 -5.461 606 3HD1 LEU 82 1HD1 LEU 82 2.836 9.582 -6.302 607 1HD2 LEU 82 1HD2 LEU 82 2.674 12.415 -4.704 608 2HD2 LEU 82 3HD2 LEU 82 4.365 12.298 -4.219 609 3HD2 LEU 82 2HD2 LEU 82 3.889 11.879 -5.865 610 H ALA 83 H ALA 83 3.027 9.250 0.045 611 HA ALA 83 HA ALA 83 1.638 11.317 1.354 612 1HB ALA 83 3HB ALA 83 2.795 8.724 2.390 613 2HB ALA 83 2HB ALA 83 1.809 9.803 3.377 614 3HB ALA 83 1HB ALA 83 1.122 9.053 1.936 615 H GLU 84 H GLU 84 4.966 10.191 1.621 616 HA GLU 84 HA GLU 84 5.600 11.849 3.887 617 1HB GLU 84 2HB GLU 84 6.791 9.669 2.884 618 2HB GLU 84 1HB GLU 84 7.754 10.900 2.067 619 1HG GLU 84 2HG GLU 84 8.479 11.854 4.109 620 2HG GLU 84 1HG GLU 84 7.217 11.038 5.032 621 H ALA 85 H ALA 85 6.072 12.038 0.385 622 HA ALA 85 HA ALA 85 7.177 14.753 0.682 623 1HB ALA 85 3HB ALA 85 7.079 12.885 -1.699 624 2HB ALA 85 2HB ALA 85 7.729 14.524 -1.742 625 3HB ALA 85 1HB ALA 85 8.498 13.296 -0.737 626 H ALA 86 HN ALA 86 4.355 14.148 1.122 627 HA ALA 86 HA ALA 86 2.782 14.853 -1.128 628 1HB ALA 86 1HB ALA 86 2.274 15.020 1.845 629 2HB ALA 86 3HB ALA 86 1.067 15.489 0.647 630 3HB ALA 86 2HB ALA 86 1.655 13.827 0.702 No H/Q in entry = 630 Start of MODEL 17 1 1H MET 1 3H MET 1 -9.760 15.915 -0.493 2 2H MET 1 2H MET 1 -9.337 17.141 0.602 3 3H MET 1 1H MET 1 -10.802 17.230 -0.250 4 HA MET 1 HA MET 1 -9.766 17.682 -2.274 5 1HB MET 1 2HB MET 1 -8.384 19.663 -1.781 6 2HB MET 1 1HB MET 1 -9.799 19.609 -0.734 7 1HG MET 1 2HG MET 1 -8.512 18.864 1.134 8 2HG MET 1 1HG MET 1 -7.120 18.493 0.119 9 1HE MET 1 3HE MET 1 -6.721 19.736 2.536 10 2HE MET 1 2HE MET 1 -5.303 20.138 1.572 11 3HE MET 1 1HE MET 1 -6.117 21.398 2.497 12 H ALA 2 H ALA 2 -7.600 16.322 0.118 13 HA ALA 2 HA ALA 2 -5.816 15.456 -2.057 14 1HB ALA 2 3HB ALA 2 -4.772 17.442 -0.999 15 2HB ALA 2 2HB ALA 2 -4.844 16.626 0.563 16 3HB ALA 2 1HB ALA 2 -3.833 15.975 -0.727 17 H THR 3 H THR 3 -5.894 13.308 -2.000 18 HA THR 3 HA THR 3 -5.651 11.964 0.616 19 HB THR 3 HB THR 3 -7.489 10.968 -1.562 20 HG1 THR 3 HG1 THR 3 -9.021 12.144 -0.733 21 1HG2 THR 3 3HG2 THR 3 -7.031 10.259 1.343 22 2HG2 THR 3 2HG2 THR 3 -8.402 9.669 0.404 23 3HG2 THR 3 1HG2 THR 3 -6.759 9.233 -0.064 24 H LEU 4 H LEU 4 -4.724 9.883 0.547 25 HA LEU 4 HA LEU 4 -2.855 9.522 -1.671 26 1HB LEU 4 2HB LEU 4 -3.118 8.047 0.971 27 2HB LEU 4 1HB LEU 4 -1.847 7.779 -0.210 28 HG LEU 4 HG LEU 4 -0.934 9.224 1.463 29 1HD1 LEU 4 2HD1 LEU 4 -0.677 9.833 -1.063 30 2HD1 LEU 4 1HD1 LEU 4 -1.700 11.211 -0.659 31 3HD1 LEU 4 3HD1 LEU 4 -0.150 10.995 0.153 32 1HD2 LEU 4 2HD2 LEU 4 -3.396 9.976 2.092 33 2HD2 LEU 4 1HD2 LEU 4 -2.016 11.011 2.457 34 3HD2 LEU 4 3HD2 LEU 4 -3.011 11.336 1.037 35 H LEU 5 H LEU 5 -2.559 6.692 -1.558 36 HA LEU 5 HA LEU 5 -4.945 5.926 -3.054 37 1HB LEU 5 2HB LEU 5 -2.359 4.430 -2.568 38 2HB LEU 5 1HB LEU 5 -3.678 3.861 -3.583 39 HG LEU 5 HG LEU 5 -1.902 6.272 -4.035 40 1HD1 LEU 5 1HD1 LEU 5 -1.152 3.976 -4.726 41 2HD1 LEU 5 3HD1 LEU 5 -2.573 3.878 -5.767 42 3HD1 LEU 5 2HD1 LEU 5 -1.334 5.095 -6.077 43 1HD2 LEU 5 2HD2 LEU 5 -4.426 5.460 -5.527 44 2HD2 LEU 5 1HD2 LEU 5 -4.205 6.939 -4.593 45 3HD2 LEU 5 3HD2 LEU 5 -3.282 6.687 -6.074 46 H THR 6 H THR 6 -5.875 3.772 -2.716 47 HA THR 6 HA THR 6 -5.798 2.927 0.113 48 HB THR 6 HB THR 6 -8.347 2.441 -0.314 49 HG1 THR 6 HG1 THR 6 -8.358 3.106 -2.461 50 1HG2 THR 6 2HG2 THR 6 -7.223 5.207 0.207 51 2HG2 THR 6 1HG2 THR 6 -8.868 4.701 0.589 52 3HG2 THR 6 3HG2 THR 6 -7.501 3.950 1.412 53 H THR 7 H THR 7 -7.094 0.798 0.326 54 HA THR 7 HA THR 7 -5.781 -1.226 -1.096 55 HB THR 7 HB THR 7 -8.479 -1.397 0.275 56 HG1 THR 7 HG1 THR 7 -7.098 -2.157 2.013 57 1HG2 THR 7 3HG2 THR 7 -7.887 -3.310 -1.204 58 2HG2 THR 7 2HG2 THR 7 -6.399 -3.524 -0.282 59 3HG2 THR 7 1HG2 THR 7 -7.964 -3.765 0.498 60 H ASP 8 H ASP 8 -8.825 0.421 -1.662 61 HA ASP 8 HA ASP 8 -9.970 -1.186 -3.632 62 1HB ASP 8 2HB ASP 8 -10.007 1.836 -3.428 63 2HB ASP 8 1HB ASP 8 -11.090 0.873 -4.432 64 H ASP 9 H ASP 9 -7.538 1.382 -3.935 65 HA ASP 9 HA ASP 9 -7.347 1.308 -6.773 66 1HB ASP 9 2HB ASP 9 -6.307 2.966 -4.893 67 2HB ASP 9 1HB ASP 9 -4.895 1.965 -5.228 68 H LEU 10 H LEU 10 -5.819 -0.455 -4.152 69 HA LEU 10 HA LEU 10 -3.722 -1.728 -5.471 70 1HB LEU 10 2HB LEU 10 -4.560 -1.812 -2.967 71 2HB LEU 10 1HB LEU 10 -5.377 -3.274 -3.517 72 HG LEU 10 HG LEU 10 -2.433 -2.766 -3.996 73 1HD1 LEU 10 3HD1 LEU 10 -3.844 -4.154 -1.703 74 2HD1 LEU 10 2HD1 LEU 10 -2.145 -4.431 -2.094 75 3HD1 LEU 10 1HD1 LEU 10 -2.688 -2.824 -1.609 76 1HD2 LEU 10 3HD2 LEU 10 -4.281 -5.156 -4.196 77 2HD2 LEU 10 2HD2 LEU 10 -3.306 -4.430 -5.476 78 3HD2 LEU 10 1HD2 LEU 10 -2.524 -5.319 -4.169 79 H ARG 11 H ARG 11 -7.016 -3.007 -4.969 80 HA ARG 11 HA ARG 11 -6.714 -5.331 -6.514 81 1HB ARG 11 2HB ARG 11 -8.681 -4.359 -4.915 82 2HB ARG 11 1HB ARG 11 -9.402 -4.088 -6.500 83 1HG ARG 11 2HG ARG 11 -8.103 -6.726 -6.177 84 2HG ARG 11 1HG ARG 11 -9.509 -6.467 -5.145 85 1HD ARG 11 2HD ARG 11 -9.847 -5.576 -7.942 86 2HD ARG 11 1HD ARG 11 -9.648 -7.313 -7.740 87 HE ARG 11 HE ARG 11 -11.551 -7.082 -6.051 88 1HH1 ARG 11 1HH2 ARG 11 -11.703 -6.336 -9.259 89 2HH1 ARG 11 2HH2 ARG 11 -13.094 -5.306 -9.179 90 1HH2 ARG 11 2HH1 ARG 11 -13.100 -5.141 -5.715 91 2HH2 ARG 11 1HH1 ARG 11 -13.884 -4.630 -7.172 92 H ARG 12 H ARG 12 -8.202 -2.214 -7.398 93 HA ARG 12 HA ARG 12 -8.890 -2.797 -10.028 94 1HB ARG 12 2HB ARG 12 -8.426 -0.352 -8.458 95 2HB ARG 12 1HB ARG 12 -8.162 -0.150 -10.189 96 1HG ARG 12 2HG ARG 12 -10.598 -1.656 -9.363 97 2HG ARG 12 1HG ARG 12 -10.598 0.085 -9.083 98 1HD ARG 12 2HD ARG 12 -9.927 0.414 -11.472 99 2HD ARG 12 1HD ARG 12 -10.099 -1.321 -11.720 100 HE ARG 12 HE ARG 12 -12.521 -0.609 -10.707 101 1HH1 ARG 12 2HH1 ARG 12 -11.519 2.073 -12.052 102 2HH1 ARG 12 1HH1 ARG 12 -12.399 1.993 -13.542 103 1HH2 ARG 12 1HH2 ARG 12 -13.242 -1.351 -13.173 104 2HH2 ARG 12 2HH2 ARG 12 -13.374 0.054 -14.176 105 H ALA 13 H ALA 13 -5.736 -2.203 -8.681 106 HA ALA 13 HA ALA 13 -4.486 -1.617 -11.224 107 1HB ALA 13 1HB ALA 13 -3.697 -0.886 -8.862 108 2HB ALA 13 3HB ALA 13 -3.007 -2.506 -8.762 109 3HB ALA 13 2HB ALA 13 -2.481 -1.400 -10.031 110 H LEU 14 H LEU 14 -4.859 -4.415 -9.107 111 HA LEU 14 HA LEU 14 -3.110 -6.103 -10.648 112 1HB LEU 14 2HB LEU 14 -4.948 -6.481 -8.328 113 2HB LEU 14 1HB LEU 14 -4.456 -7.903 -9.249 114 HG LEU 14 HG LEU 14 -2.310 -5.971 -8.527 115 1HD1 LEU 14 2HD1 LEU 14 -4.038 -6.583 -6.520 116 2HD1 LEU 14 1HD1 LEU 14 -2.954 -7.971 -6.431 117 3HD1 LEU 14 3HD1 LEU 14 -2.310 -6.338 -6.269 118 1HD2 LEU 14 2HD2 LEU 14 -2.014 -8.135 -9.814 119 2HD2 LEU 14 1HD2 LEU 14 -1.005 -7.995 -8.375 120 3HD2 LEU 14 3HD2 LEU 14 -2.459 -8.993 -8.340 121 H VAL 15 H VAL 15 -6.399 -5.125 -10.980 122 HA VAL 15 HA VAL 15 -7.275 -7.492 -12.385 123 HB VAL 15 HB VAL 15 -8.566 -4.754 -12.286 124 1HG1 VAL 15 1HG1 VAL 15 -9.529 -7.513 -13.077 125 2HG1 VAL 15 3HG1 VAL 15 -10.632 -6.185 -12.711 126 3HG1 VAL 15 2HG1 VAL 15 -9.511 -6.052 -14.066 127 1HG2 VAL 15 2HG2 VAL 15 -8.068 -6.308 -10.108 128 2HG2 VAL 15 1HG2 VAL 15 -9.497 -5.288 -10.262 129 3HG2 VAL 15 3HG2 VAL 15 -9.595 -7.006 -10.645 130 H GLU 16 H GLU 16 -6.608 -4.113 -13.320 131 HA GLU 16 HA GLU 16 -6.866 -4.591 -16.116 132 1HB GLU 16 2HB GLU 16 -5.725 -2.369 -14.451 133 2HB GLU 16 1HB GLU 16 -5.440 -2.394 -16.192 134 1HG GLU 16 2HG GLU 16 -7.859 -2.504 -16.605 135 2HG GLU 16 1HG GLU 16 -8.166 -2.527 -14.868 136 H CYS 17 H CYS 17 -4.177 -4.698 -13.857 137 HA CYS 17 HA CYS 17 -2.257 -5.180 -16.006 138 1HB CYS 17 2HB CYS 17 -1.886 -5.093 -13.004 139 2HB CYS 17 1HB CYS 17 -0.591 -5.247 -14.189 140 HG CYS 17 HG CYS 17 -2.410 -2.772 -14.529 141 H ALA 18 H ALA 18 -4.520 -7.113 -14.771 142 HA ALA 18 HA ALA 18 -3.171 -9.372 -13.770 143 1HB ALA 18 1HB ALA 18 -5.764 -8.774 -14.011 144 2HB ALA 18 3HB ALA 18 -5.594 -9.778 -15.453 145 3HB ALA 18 2HB ALA 18 -5.200 -10.439 -13.865 146 H GLY 19 H GLY 19 -4.586 -8.991 -17.029 147 1HA GLY 19 2HA GLY 19 -2.911 -9.339 -18.903 148 2HA GLY 19 1HA GLY 19 -2.478 -10.811 -18.040 149 H GLU 20 H GLU 20 -3.794 -12.607 -18.157 150 HA GLU 20 HA GLU 20 -6.025 -12.417 -20.094 151 1HB GLU 20 2HB GLU 20 -3.894 -14.476 -19.682 152 2HB GLU 20 1HB GLU 20 -5.470 -14.989 -20.286 153 1HG GLU 20 2HG GLU 20 -4.522 -14.464 -22.308 154 2HG GLU 20 1HG GLU 20 -5.074 -12.846 -21.874 155 H THR 21 H THR 21 -6.566 -11.861 -17.448 156 HA THR 21 HA THR 21 -8.662 -13.654 -16.888 157 HB THR 21 HB THR 21 -7.122 -15.280 -16.119 158 HG1 THR 21 HG1 THR 21 -7.902 -15.506 -14.160 159 1HG2 THR 21 2HG2 THR 21 -5.629 -12.903 -15.187 160 2HG2 THR 21 1HG2 THR 21 -5.544 -14.313 -14.133 161 3HG2 THR 21 3HG2 THR 21 -5.025 -14.436 -15.813 162 H ASP 22 H ASP 22 -10.086 -12.358 -16.070 163 HA ASP 22 HA ASP 22 -9.242 -10.346 -14.071 164 1HB ASP 22 2HB ASP 22 -11.168 -8.966 -14.887 165 2HB ASP 22 1HB ASP 22 -9.897 -9.178 -16.092 166 H GLY 23 H GLY 23 -10.148 -13.135 -13.718 167 1HA GLY 23 2HA GLY 23 -12.884 -13.101 -12.851 168 2HA GLY 23 1HA GLY 23 -11.705 -14.369 -12.533 169 H THR 24 H THR 24 -10.292 -14.156 -10.724 170 HA THR 24 HA THR 24 -9.769 -13.653 -8.547 171 HB THR 24 HB THR 24 -11.192 -11.033 -8.685 172 HG1 THR 24 HG1 THR 24 -10.147 -10.535 -10.418 173 1HG2 THR 24 3HG2 THR 24 -9.621 -12.133 -6.819 174 2HG2 THR 24 2HG2 THR 24 -8.365 -11.415 -7.827 175 3HG2 THR 24 1HG2 THR 24 -9.624 -10.397 -7.128 176 H ASP 25 H ASP 25 -10.702 -14.280 -6.714 177 HA ASP 25 HA ASP 25 -13.652 -14.124 -6.541 178 1HB ASP 25 2HB ASP 25 -12.251 -16.419 -6.666 179 2HB ASP 25 1HB ASP 25 -12.200 -16.146 -4.925 180 H LEU 26 H LEU 26 -13.634 -12.159 -5.460 181 HA LEU 26 HA LEU 26 -12.136 -11.791 -3.020 182 1HB LEU 26 2HB LEU 26 -13.567 -10.117 -4.827 183 2HB LEU 26 1HB LEU 26 -14.314 -9.921 -3.244 184 HG LEU 26 HG LEU 26 -11.786 -9.793 -2.440 185 1HD1 LEU 26 1HD1 LEU 26 -11.724 -9.191 -5.392 186 2HD1 LEU 26 3HD1 LEU 26 -10.590 -8.404 -4.294 187 3HD1 LEU 26 2HD1 LEU 26 -10.603 -10.163 -4.439 188 1HD2 LEU 26 3HD2 LEU 26 -13.270 -7.547 -3.842 189 2HD2 LEU 26 2HD2 LEU 26 -13.437 -8.007 -2.148 190 3HD2 LEU 26 1HD2 LEU 26 -11.921 -7.319 -2.730 191 H SER 27 H SER 27 -12.836 -13.613 -1.806 192 HA SER 27 HA SER 27 -15.623 -13.459 -0.828 193 1HB SER 27 2HB SER 27 -14.894 -15.818 0.102 194 2HB SER 27 1HB SER 27 -15.424 -15.629 -1.568 195 HG SER 27 HG SER 27 -13.171 -16.611 -0.788 196 H GLY 28 H GLY 28 -13.459 -11.752 0.076 197 1HA GLY 28 2HA GLY 28 -13.834 -11.328 2.662 198 2HA GLY 28 1HA GLY 28 -12.796 -12.749 2.749 199 H ASP 29 H ASP 29 -10.652 -12.476 2.665 200 HA ASP 29 HA ASP 29 -9.640 -9.759 2.129 201 1HB ASP 29 2HB ASP 29 -8.680 -12.047 3.807 202 2HB ASP 29 1HB ASP 29 -7.507 -10.884 3.190 203 H PHE 30 H PHE 30 -8.025 -9.385 0.660 204 HA PHE 30 HA PHE 30 -7.125 -11.680 -0.970 205 1HB PHE 30 2HB PHE 30 -7.281 -10.181 -2.978 206 2HB PHE 30 1HB PHE 30 -8.835 -10.619 -2.273 207 HD1 PHE 30 HD2 PHE 30 -6.276 -7.913 -2.432 208 HD2 PHE 30 HD1 PHE 30 -10.303 -8.976 -1.378 209 HE1 PHE 30 HE2 PHE 30 -6.825 -5.516 -2.123 210 HE2 PHE 30 HE1 PHE 30 -10.853 -6.579 -1.068 211 HZ PHE 30 HZ PHE 30 -9.117 -4.851 -1.440 212 H LEU 31 H LEU 31 -5.898 -9.972 1.201 213 HA LEU 31 HA LEU 31 -3.533 -9.126 -0.353 214 1HB LEU 31 2HB LEU 31 -4.630 -7.785 2.128 215 2HB LEU 31 1HB LEU 31 -3.154 -7.329 1.276 216 HG LEU 31 HG LEU 31 -5.836 -7.446 -0.109 217 1HD1 LEU 31 1HD1 LEU 31 -5.399 -5.754 1.961 218 2HD1 LEU 31 3HD1 LEU 31 -4.687 -4.816 0.648 219 3HD1 LEU 31 2HD1 LEU 31 -6.372 -5.327 0.554 220 1HD2 LEU 31 2HD2 LEU 31 -3.807 -7.480 -1.519 221 2HD2 LEU 31 1HD2 LEU 31 -4.685 -5.963 -1.717 222 3HD2 LEU 31 3HD2 LEU 31 -3.229 -6.015 -0.724 223 H ASP 32 H ASP 32 -4.063 -11.683 0.851 224 HA ASP 32 HA ASP 32 -2.133 -11.708 3.089 225 1HB ASP 32 2HB ASP 32 -4.440 -13.449 2.335 226 2HB ASP 32 1HB ASP 32 -3.068 -14.197 3.155 227 H LEU 33 H LEU 33 -2.859 -12.960 -0.099 228 HA LEU 33 HA LEU 33 -0.112 -13.547 -0.634 229 1HB LEU 33 2HB LEU 33 -1.041 -15.559 0.756 230 2HB LEU 33 1HB LEU 33 -1.865 -15.982 -0.746 231 HG LEU 33 HG LEU 33 0.519 -15.567 -1.801 232 1HD1 LEU 33 2HD1 LEU 33 1.438 -14.782 0.413 233 2HD1 LEU 33 1HD1 LEU 33 1.228 -16.426 1.017 234 3HD1 LEU 33 3HD1 LEU 33 2.345 -16.112 -0.310 235 1HD2 LEU 33 2HD2 LEU 33 -0.545 -17.962 -0.330 236 2HD2 LEU 33 1HD2 LEU 33 -0.365 -17.715 -2.067 237 3HD2 LEU 33 3HD2 LEU 33 1.054 -18.041 -1.070 238 H ARG 34 H ARG 34 -1.898 -11.877 -1.849 239 HA ARG 34 HA ARG 34 -3.268 -13.061 -4.054 240 1HB ARG 34 2HB ARG 34 -3.348 -10.610 -2.885 241 2HB ARG 34 1HB ARG 34 -2.394 -10.244 -4.321 242 1HG ARG 34 2HG ARG 34 -5.049 -11.710 -4.361 243 2HG ARG 34 1HG ARG 34 -4.862 -9.986 -4.681 244 1HD ARG 34 2HD ARG 34 -3.348 -10.501 -6.561 245 2HD ARG 34 1HD ARG 34 -3.540 -12.221 -6.243 246 HE ARG 34 HE ARG 34 -5.498 -10.455 -7.490 247 1HH1 ARG 34 1HH2 ARG 34 -6.777 -12.232 -5.334 248 2HH1 ARG 34 2HH2 ARG 34 -7.279 -13.595 -6.278 249 1HH2 ARG 34 2HH1 ARG 34 -5.297 -12.773 -9.002 250 2HH2 ARG 34 1HH1 ARG 34 -6.441 -13.901 -8.355 251 H PHE 35 H PHE 35 -0.209 -11.219 -3.839 252 HA PHE 35 HA PHE 35 0.497 -11.446 -6.554 253 1HB PHE 35 2HB PHE 35 2.004 -10.896 -4.036 254 2HB PHE 35 1HB PHE 35 2.923 -11.288 -5.489 255 HD1 PHE 35 HD1 PHE 35 -0.201 -9.319 -4.787 256 HD2 PHE 35 HD2 PHE 35 3.710 -9.365 -6.580 257 HE1 PHE 35 HE1 PHE 35 -0.547 -7.009 -5.619 258 HE2 PHE 35 HE2 PHE 35 3.352 -7.063 -7.403 259 HZ PHE 35 HZ PHE 35 1.235 -5.882 -6.925 260 H GLU 36 H GLU 36 1.721 -13.367 -3.791 261 HA GLU 36 HA GLU 36 3.170 -15.228 -5.293 262 1HB GLU 36 2HB GLU 36 2.666 -14.823 -2.601 263 2HB GLU 36 1HB GLU 36 1.907 -16.382 -2.914 264 1HG GLU 36 2HG GLU 36 4.119 -16.967 -2.392 265 2HG GLU 36 1HG GLU 36 4.114 -16.957 -4.157 266 H ASP 37 H ASP 37 -0.255 -14.911 -4.869 267 HA ASP 37 HA ASP 37 -1.162 -17.519 -5.189 268 1HB ASP 37 2HB ASP 37 -2.392 -15.117 -4.993 269 2HB ASP 37 1HB ASP 37 -2.643 -15.449 -6.705 270 H ILE 38 H ILE 38 -1.074 -15.153 -7.872 271 HA ILE 38 HA ILE 38 -0.906 -17.364 -9.765 272 HB ILE 38 HB ILE 38 -1.343 -15.737 -11.486 273 1HG1 ILE 38 2HG1 ILE 38 -1.055 -13.567 -9.382 274 2HG1 ILE 38 1HG1 ILE 38 0.201 -13.964 -10.555 275 1HG2 ILE 38 1HG2 ILE 38 -3.101 -16.335 -9.544 276 2HG2 ILE 38 3HG2 ILE 38 -3.039 -14.585 -9.331 277 3HG2 ILE 38 2HG2 ILE 38 -3.503 -15.269 -10.889 278 1HD1 ILE 38 3HD1 ILE 38 -2.168 -13.695 -12.064 279 2HD1 ILE 38 2HD1 ILE 38 -2.181 -12.354 -10.918 280 3HD1 ILE 38 1HD1 ILE 38 -0.811 -12.570 -12.006 281 H GLY 39 H GLY 39 0.600 -15.889 -11.797 282 1HA GLY 39 2HA GLY 39 3.273 -16.524 -10.813 283 2HA GLY 39 1HA GLY 39 2.824 -16.197 -12.484 284 H TYR 40 H TYR 40 2.659 -14.425 -9.382 285 HA TYR 40 HA TYR 40 3.722 -12.049 -10.778 286 1HB TYR 40 2HB TYR 40 1.752 -12.430 -8.595 287 2HB TYR 40 1HB TYR 40 2.859 -11.077 -8.389 288 HD1 TYR 40 HD1 TYR 40 3.320 -9.982 -10.974 289 HD2 TYR 40 HD2 TYR 40 -0.296 -11.715 -9.430 290 HE1 TYR 40 HE1 TYR 40 1.992 -8.646 -12.586 291 HE2 TYR 40 HE2 TYR 40 -1.622 -10.378 -11.043 292 HH TYR 40 HH TYR 40 -0.928 -9.272 -13.517 293 H ASP 41 H ASP 41 5.693 -13.690 -10.358 294 HA ASP 41 HA ASP 41 6.861 -13.801 -7.802 295 1HB ASP 41 2HB ASP 41 9.042 -14.114 -9.096 296 2HB ASP 41 1HB ASP 41 7.761 -15.276 -9.412 297 H SER 42 H SER 42 7.532 -11.557 -10.495 298 HA SER 42 HA SER 42 7.691 -9.210 -9.065 299 1HB SER 42 2HB SER 42 10.393 -9.145 -9.143 300 2HB SER 42 1HB SER 42 9.488 -9.607 -7.705 301 HG SER 42 HG SER 42 10.698 -11.340 -7.939 302 H LEU 43 H LEU 43 9.736 -10.988 -11.382 303 HA LEU 43 HA LEU 43 10.398 -8.834 -13.036 304 1HB LEU 43 2HB LEU 43 10.273 -11.792 -13.390 305 2HB LEU 43 1HB LEU 43 10.394 -10.803 -14.842 306 HG LEU 43 HG LEU 43 12.629 -11.461 -14.011 307 1HD1 LEU 43 1HD1 LEU 43 11.970 -9.083 -14.992 308 2HD1 LEU 43 3HD1 LEU 43 12.450 -8.541 -13.384 309 3HD1 LEU 43 2HD1 LEU 43 13.603 -9.400 -14.406 310 1HD2 LEU 43 2HD2 LEU 43 11.768 -9.941 -11.530 311 2HD2 LEU 43 1HD2 LEU 43 12.160 -11.658 -11.632 312 3HD2 LEU 43 3HD2 LEU 43 13.424 -10.449 -11.857 313 H ALA 44 H ALA 44 7.548 -10.905 -13.006 314 HA ALA 44 HA ALA 44 6.426 -10.045 -15.459 315 1HB ALA 44 2HB ALA 44 5.715 -12.041 -14.010 316 2HB ALA 44 1HB ALA 44 4.811 -10.871 -13.049 317 3HB ALA 44 3HB ALA 44 4.425 -11.098 -14.755 318 H LEU 45 H LEU 45 5.873 -8.986 -12.110 319 HA LEU 45 HA LEU 45 4.268 -6.728 -13.028 320 1HB LEU 45 2HB LEU 45 3.916 -6.281 -10.643 321 2HB LEU 45 1HB LEU 45 3.552 -7.951 -11.052 322 HG LEU 45 HG LEU 45 6.235 -8.087 -10.407 323 1HD1 LEU 45 3HD1 LEU 45 5.895 -5.661 -9.582 324 2HD1 LEU 45 2HD1 LEU 45 4.958 -6.385 -8.276 325 3HD1 LEU 45 1HD1 LEU 45 6.659 -6.800 -8.474 326 1HD2 LEU 45 1HD2 LEU 45 3.693 -8.588 -8.871 327 2HD2 LEU 45 3HD2 LEU 45 4.793 -9.761 -9.594 328 3HD2 LEU 45 2HD2 LEU 45 5.259 -8.902 -8.125 329 H MET 46 H MET 46 7.443 -7.160 -13.085 330 HA MET 46 HA MET 46 8.424 -4.882 -11.647 331 1HB MET 46 2HB MET 46 9.671 -7.043 -12.583 332 2HB MET 46 1HB MET 46 9.942 -5.980 -13.963 333 1HG MET 46 2HG MET 46 10.490 -5.039 -11.151 334 2HG MET 46 1HG MET 46 11.698 -5.952 -12.056 335 1HE MET 46 1HE MET 46 13.251 -4.310 -11.713 336 2HE MET 46 3HE MET 46 13.464 -2.813 -12.629 337 3HE MET 46 2HE MET 46 12.477 -2.824 -11.169 338 H GLU 47 H GLU 47 7.886 -5.561 -15.106 339 HA GLU 47 HA GLU 47 8.497 -2.862 -15.896 340 1HB GLU 47 2HB GLU 47 7.432 -5.292 -17.301 341 2HB GLU 47 1HB GLU 47 7.365 -3.715 -18.089 342 1HG GLU 47 2HG GLU 47 9.848 -3.483 -17.536 343 2HG GLU 47 1HG GLU 47 9.814 -5.194 -17.113 344 H THR 48 H THR 48 5.550 -4.751 -15.391 345 HA THR 48 HA THR 48 3.687 -2.882 -16.363 346 HB THR 48 HB THR 48 3.260 -4.797 -14.060 347 HG1 THR 48 HG1 THR 48 3.153 -6.345 -15.496 348 1HG2 THR 48 3HG2 THR 48 1.506 -3.223 -15.909 349 2HG2 THR 48 2HG2 THR 48 0.950 -4.797 -15.341 350 3HG2 THR 48 1HG2 THR 48 1.324 -3.523 -14.180 351 H ALA 49 H ALA 49 5.020 -3.347 -13.105 352 HA ALA 49 HA ALA 49 3.521 -1.187 -11.950 353 1HB ALA 49 2HB ALA 49 4.407 -3.115 -10.630 354 2HB ALA 49 1HB ALA 49 6.037 -2.497 -10.894 355 3HB ALA 49 3HB ALA 49 4.873 -1.546 -9.973 356 H ALA 50 H ALA 50 6.639 -1.522 -13.501 357 HA ALA 50 HA ALA 50 7.882 0.834 -12.610 358 1HB ALA 50 1HB ALA 50 8.132 -0.544 -15.294 359 2HB ALA 50 3HB ALA 50 9.238 0.680 -14.670 360 3HB ALA 50 2HB ALA 50 9.101 -0.880 -13.859 361 H ARG 51 H ARG 51 5.579 0.255 -15.221 362 HA ARG 51 HA ARG 51 5.702 3.017 -16.126 363 1HB ARG 51 2HB ARG 51 3.984 0.668 -16.942 364 2HB ARG 51 1HB ARG 51 3.813 2.281 -17.632 365 1HG ARG 51 2HG ARG 51 6.524 1.886 -17.838 366 2HG ARG 51 1HG ARG 51 5.907 0.253 -18.092 367 1HD ARG 51 2HD ARG 51 4.908 0.794 -20.071 368 2HD ARG 51 1HD ARG 51 4.458 2.405 -19.524 369 HE ARG 51 HE ARG 51 7.265 2.299 -19.839 370 1HH1 ARG 51 2HH1 ARG 51 4.469 3.497 -21.229 371 2HH1 ARG 51 1HH1 ARG 51 5.096 3.639 -22.837 372 1HH2 ARG 51 1HH2 ARG 51 8.028 1.931 -22.128 373 2HH2 ARG 51 2HH2 ARG 51 7.111 2.752 -23.346 374 H LEU 52 H LEU 52 3.701 1.000 -14.085 375 HA LEU 52 HA LEU 52 1.409 2.647 -13.961 376 1HB LEU 52 2HB LEU 52 1.706 0.246 -13.088 377 2HB LEU 52 1HB LEU 52 2.407 0.991 -11.651 378 HG LEU 52 HG LEU 52 -0.152 2.169 -12.583 379 1HD1 LEU 52 1HD1 LEU 52 -0.315 -0.403 -12.842 380 2HD1 LEU 52 3HD1 LEU 52 -0.225 -0.447 -11.081 381 3HD1 LEU 52 2HD1 LEU 52 -1.551 0.403 -11.876 382 1HD2 LEU 52 2HD2 LEU 52 1.267 2.667 -10.456 383 2HD2 LEU 52 1HD2 LEU 52 -0.481 2.517 -10.275 384 3HD2 LEU 52 3HD2 LEU 52 0.569 1.173 -9.829 385 H GLU 53 H GLU 53 4.555 2.899 -12.491 386 HA GLU 53 HA GLU 53 3.667 4.883 -10.539 387 1HB GLU 53 2HB GLU 53 6.058 4.913 -9.874 388 2HB GLU 53 1HB GLU 53 5.341 3.304 -9.803 389 1HG GLU 53 2HG GLU 53 6.529 2.538 -11.636 390 2HG GLU 53 1HG GLU 53 6.663 4.146 -12.349 391 H SER 54 H SER 54 3.646 5.362 -13.541 392 HA SER 54 HA SER 54 5.604 7.524 -13.787 393 1HB SER 54 2HB SER 54 5.296 5.921 -15.673 394 2HB SER 54 1HB SER 54 3.636 6.486 -15.839 395 HG SER 54 HG SER 54 6.044 7.745 -16.448 396 H ARG 55 H ARG 55 2.144 6.962 -13.551 397 HA ARG 55 HA ARG 55 1.395 9.663 -14.172 398 1HB ARG 55 2HB ARG 55 -0.831 8.985 -13.240 399 2HB ARG 55 1HB ARG 55 -0.240 7.927 -14.521 400 1HG ARG 55 2HG ARG 55 0.359 6.223 -12.999 401 2HG ARG 55 1HG ARG 55 0.302 7.320 -11.620 402 1HD ARG 55 2HD ARG 55 -1.706 6.130 -11.413 403 2HD ARG 55 1HD ARG 55 -2.204 7.607 -12.231 404 HE ARG 55 HE ARG 55 -1.559 5.250 -13.873 405 1HH1 ARG 55 1HH2 ARG 55 -4.192 5.916 -12.028 406 2HH1 ARG 55 2HH2 ARG 55 -5.319 6.153 -13.323 407 1HH2 ARG 55 2HH1 ARG 55 -2.880 6.228 -15.786 408 2HH2 ARG 55 1HH1 ARG 55 -4.577 6.330 -15.450 409 H TYR 56 H TYR 56 2.281 7.925 -11.265 410 HA TYR 56 HA TYR 56 1.328 9.996 -9.478 411 1HB TYR 56 2HB TYR 56 3.223 7.704 -8.898 412 2HB TYR 56 1HB TYR 56 2.379 8.696 -7.708 413 HD1 TYR 56 HD2 TYR 56 -0.082 8.520 -7.433 414 HD2 TYR 56 HD1 TYR 56 2.074 5.982 -10.145 415 HE1 TYR 56 HE2 TYR 56 -2.040 7.008 -7.580 416 HE2 TYR 56 HE1 TYR 56 0.118 4.467 -10.285 417 HH TYR 56 HH TYR 56 -2.702 5.061 -9.781 418 H GLY 57 H GLY 57 4.502 8.816 -10.582 419 1HA GLY 57 2HA GLY 57 6.566 9.837 -10.687 420 2HA GLY 57 1HA GLY 57 5.682 11.355 -10.815 421 H VAL 58 H VAL 58 5.663 9.047 -8.129 422 HA VAL 58 HA VAL 58 6.315 11.203 -6.292 423 HB VAL 58 HB VAL 58 4.480 9.604 -5.795 424 1HG1 VAL 58 3HG1 VAL 58 5.609 7.591 -6.789 425 2HG1 VAL 58 2HG1 VAL 58 6.699 7.576 -5.404 426 3HG1 VAL 58 1HG1 VAL 58 4.973 7.313 -5.168 427 1HG2 VAL 58 3HG2 VAL 58 6.078 10.786 -4.078 428 2HG2 VAL 58 2HG2 VAL 58 4.926 9.573 -3.518 429 3HG2 VAL 58 1HG2 VAL 58 6.620 9.141 -3.754 430 H SER 59 H SER 59 7.644 8.072 -7.302 431 HA SER 59 HA SER 59 10.333 8.961 -6.720 432 1HB SER 59 2HB SER 59 9.316 6.565 -5.186 433 2HB SER 59 1HB SER 59 10.885 7.351 -5.041 434 HG SER 59 HG SER 59 10.015 8.766 -3.756 435 H ILE 60 H ILE 60 11.684 6.611 -6.718 436 HA ILE 60 HA ILE 60 10.735 5.161 -9.114 437 HB ILE 60 HB ILE 60 13.612 5.971 -8.637 438 1HG1 ILE 60 2HG1 ILE 60 12.236 7.971 -9.075 439 2HG1 ILE 60 1HG1 ILE 60 13.263 7.610 -10.460 440 1HG2 ILE 60 3HG2 ILE 60 12.977 3.888 -10.018 441 2HG2 ILE 60 2HG2 ILE 60 12.328 5.024 -11.200 442 3HG2 ILE 60 1HG2 ILE 60 14.041 5.069 -10.781 443 1HD1 ILE 60 1HD1 ILE 60 10.859 6.164 -10.865 444 2HD1 ILE 60 3HD1 ILE 60 10.385 7.781 -10.346 445 3HD1 ILE 60 2HD1 ILE 60 11.422 7.577 -11.757 446 HA PRO 61 HA PRO 61 12.222 2.276 -5.754 447 1HB PRO 61 2HB PRO 61 9.838 1.065 -5.195 448 2HB PRO 61 1HB PRO 61 10.409 2.528 -4.378 449 1HG PRO 61 2HG PRO 61 8.281 2.221 -6.410 450 2HG PRO 61 1HG PRO 61 8.484 3.465 -5.169 451 1HD PRO 61 2HD PRO 61 9.098 3.716 -7.934 452 2HD PRO 61 1HD PRO 61 9.511 4.869 -6.643 453 H ASP 62 H ASP 62 13.326 1.088 -7.357 454 HA ASP 62 HA ASP 62 11.750 -0.790 -8.988 455 1HB ASP 62 2HB ASP 62 14.645 0.072 -9.144 456 2HB ASP 62 1HB ASP 62 13.933 -1.178 -10.164 457 H ASP 63 H ASP 63 14.102 -0.644 -6.402 458 HA ASP 63 HA ASP 63 14.684 -3.477 -6.470 459 1HB ASP 63 2HB ASP 63 16.225 -1.582 -5.621 460 2HB ASP 63 1HB ASP 63 15.262 -1.659 -4.145 461 H VAL 64 H VAL 64 13.158 -1.358 -4.031 462 HA VAL 64 HA VAL 64 12.152 -3.481 -2.459 463 HB VAL 64 HB VAL 64 12.435 -1.175 -1.618 464 1HG1 VAL 64 2HG1 VAL 64 11.527 -0.131 -3.771 465 2HG1 VAL 64 1HG1 VAL 64 9.919 -0.470 -3.130 466 3HG1 VAL 64 3HG1 VAL 64 11.006 0.611 -2.258 467 1HG2 VAL 64 1HG2 VAL 64 10.870 -2.781 -0.512 468 2HG2 VAL 64 3HG2 VAL 64 10.385 -1.099 -0.299 469 3HG2 VAL 64 2HG2 VAL 64 9.554 -2.114 -1.479 470 H ALA 65 H ALA 65 10.646 -1.516 -5.004 471 HA ALA 65 HA ALA 65 8.102 -2.841 -4.803 472 1HB ALA 65 3HB ALA 65 8.718 -0.476 -5.797 473 2HB ALA 65 2HB ALA 65 8.943 -1.399 -7.283 474 3HB ALA 65 1HB ALA 65 7.380 -1.409 -6.467 475 H GLY 66 H GLY 66 10.956 -3.149 -6.857 476 1HA GLY 66 2HA GLY 66 9.899 -4.905 -8.788 477 2HA GLY 66 1HA GLY 66 11.600 -4.777 -8.355 478 H ARG 67 H ARG 67 11.098 -5.456 -5.541 479 HA ARG 67 HA ARG 67 10.750 -8.366 -5.901 480 1HB ARG 67 2HB ARG 67 12.305 -6.745 -3.883 481 2HB ARG 67 1HB ARG 67 11.972 -8.463 -3.663 482 1HG ARG 67 2HG ARG 67 13.081 -8.979 -5.787 483 2HG ARG 67 1HG ARG 67 13.368 -7.262 -6.073 484 1HD ARG 67 2HD ARG 67 14.795 -7.121 -4.114 485 2HD ARG 67 1HD ARG 67 14.414 -8.780 -3.670 486 HE ARG 67 HE ARG 67 15.663 -9.494 -5.655 487 1HH1 ARG 67 2HH1 ARG 67 15.985 -7.360 -7.473 488 2HH1 ARG 67 1HH1 ARG 67 17.476 -6.588 -7.046 489 1HH2 ARG 67 1HH2 ARG 67 17.599 -7.989 -3.876 490 2HH2 ARG 67 2HH2 ARG 67 18.390 -6.944 -5.009 491 H VAL 68 H VAL 68 8.433 -6.830 -5.730 492 HA VAL 68 HA VAL 68 7.502 -6.873 -2.979 493 HB VAL 68 HB VAL 68 6.760 -5.098 -4.545 494 1HG1 VAL 68 3HG1 VAL 68 6.576 -6.950 -6.455 495 2HG1 VAL 68 2HG1 VAL 68 4.909 -7.023 -5.887 496 3HG1 VAL 68 1HG1 VAL 68 5.571 -5.501 -6.483 497 1HG2 VAL 68 1HG2 VAL 68 5.314 -6.339 -2.616 498 2HG2 VAL 68 3HG2 VAL 68 4.723 -4.944 -3.520 499 3HG2 VAL 68 2HG2 VAL 68 4.243 -6.572 -3.998 500 H ASP 69 H ASP 69 7.012 -8.747 -2.064 501 HA ASP 69 HA ASP 69 6.043 -10.978 -3.691 502 1HB ASP 69 2HB ASP 69 6.252 -12.274 -1.569 503 2HB ASP 69 1HB ASP 69 7.763 -11.513 -2.068 504 H THR 70 H THR 70 4.920 -8.686 -1.302 505 HA THR 70 HA THR 70 2.277 -10.012 -1.281 506 HB THR 70 HB THR 70 1.994 -8.259 0.690 507 HG1 THR 70 HG1 THR 70 4.069 -8.147 1.765 508 1HG2 THR 70 1HG2 THR 70 2.097 -10.867 0.649 509 2HG2 THR 70 3HG2 THR 70 3.738 -10.642 1.252 510 3HG2 THR 70 2HG2 THR 70 2.367 -10.028 2.176 511 HA PRO 71 HA PRO 71 0.686 -6.536 -3.511 512 1HB PRO 71 2HB PRO 71 -1.944 -6.648 -2.783 513 2HB PRO 71 1HB PRO 71 -1.188 -7.794 -3.901 514 1HG PRO 71 2HG PRO 71 -1.984 -8.172 -1.071 515 2HG PRO 71 1HG PRO 71 -1.886 -9.357 -2.380 516 1HD PRO 71 2HD PRO 71 0.010 -9.005 -0.322 517 2HD PRO 71 1HD PRO 71 0.259 -9.925 -1.826 518 H ARG 72 H ARG 72 -0.326 -6.754 -0.116 519 HA ARG 72 HA ARG 72 -1.216 -4.117 0.245 520 1HB ARG 72 2HB ARG 72 -1.421 -6.097 1.860 521 2HB ARG 72 1HB ARG 72 0.214 -5.689 2.382 522 1HG ARG 72 2HG ARG 72 -0.995 -4.390 3.864 523 2HG ARG 72 1HG ARG 72 -0.829 -3.244 2.535 524 1HD ARG 72 2HD ARG 72 -3.024 -3.722 1.722 525 2HD ARG 72 1HD ARG 72 -3.175 -5.134 2.762 526 HE ARG 72 HE ARG 72 -2.938 -2.443 3.960 527 1HH1 ARG 72 2HH1 ARG 72 -3.558 -3.795 6.160 528 2HH1 ARG 72 1HH1 ARG 72 -5.244 -4.190 6.146 529 1HH2 ARG 72 1HH2 ARG 72 -5.616 -3.645 2.741 530 2HH2 ARG 72 2HH2 ARG 72 -6.409 -4.105 4.211 531 H GLU 73 H GLU 73 1.999 -5.405 -0.051 532 HA GLU 73 HA GLU 73 3.357 -3.224 1.222 533 1HB GLU 73 2HB GLU 73 4.284 -5.576 0.780 534 2HB GLU 73 1HB GLU 73 4.543 -5.034 -0.878 535 1HG GLU 73 2HG GLU 73 6.170 -3.497 -0.271 536 2HG GLU 73 1HG GLU 73 5.523 -3.300 1.357 537 H LEU 74 H LEU 74 2.382 -4.012 -2.075 538 HA LEU 74 HA LEU 74 3.794 -1.990 -3.437 539 1HB LEU 74 2HB LEU 74 2.178 -4.012 -4.236 540 2HB LEU 74 1HB LEU 74 1.079 -2.647 -4.434 541 HG LEU 74 HG LEU 74 3.041 -1.488 -5.650 542 1HD1 LEU 74 1HD1 LEU 74 3.977 -4.361 -5.530 543 2HD1 LEU 74 3HD1 LEU 74 4.529 -3.247 -6.780 544 3HD1 LEU 74 2HD1 LEU 74 4.871 -2.907 -5.084 545 1HD2 LEU 74 3HD2 LEU 74 1.359 -3.764 -6.639 546 2HD2 LEU 74 2HD2 LEU 74 1.285 -2.054 -7.063 547 3HD2 LEU 74 1HD2 LEU 74 2.564 -3.072 -7.726 548 H LEU 75 H LEU 75 0.527 -2.023 -2.048 549 HA LEU 75 HA LEU 75 -0.210 0.607 -2.782 550 1HB LEU 75 2HB LEU 75 -1.842 -1.060 -1.992 551 2HB LEU 75 1HB LEU 75 -1.088 -1.061 -0.402 552 HG LEU 75 HG LEU 75 -1.581 1.578 -0.610 553 1HD1 LEU 75 1HD1 LEU 75 -3.755 0.234 -2.236 554 2HD1 LEU 75 3HD1 LEU 75 -3.785 1.905 -1.672 555 3HD1 LEU 75 2HD1 LEU 75 -2.577 1.392 -2.851 556 1HD2 LEU 75 3HD2 LEU 75 -2.451 -0.390 0.966 557 2HD2 LEU 75 2HD2 LEU 75 -3.218 1.198 0.978 558 3HD2 LEU 75 1HD2 LEU 75 -3.943 -0.125 0.064 559 H ASP 76 H ASP 76 1.206 -0.675 0.224 560 HA ASP 76 HA ASP 76 1.436 1.866 1.487 561 1HB ASP 76 2HB ASP 76 2.681 -0.827 1.988 562 2HB ASP 76 1HB ASP 76 3.163 0.590 2.923 563 H LEU 77 H LEU 77 3.201 0.466 -1.075 564 HA LEU 77 HA LEU 77 5.747 1.672 -0.487 565 1HB LEU 77 2HB LEU 77 5.098 -0.381 -2.065 566 2HB LEU 77 1HB LEU 77 5.009 0.896 -3.271 567 HG LEU 77 HG LEU 77 7.253 -0.069 -3.234 568 1HD1 LEU 77 2HD1 LEU 77 6.807 2.482 -3.478 569 2HD1 LEU 77 1HD1 LEU 77 7.522 2.601 -1.870 570 3HD1 LEU 77 3HD1 LEU 77 8.465 1.943 -3.209 571 1HD2 LEU 77 1HD2 LEU 77 6.921 -0.566 -0.643 572 2HD2 LEU 77 3HD2 LEU 77 8.533 -0.347 -1.324 573 3HD2 LEU 77 2HD2 LEU 77 7.745 0.985 -0.477 574 H ILE 78 H ILE 78 3.523 2.192 -3.233 575 HA ILE 78 HA ILE 78 4.653 4.701 -3.935 576 HB ILE 78 HB ILE 78 1.877 3.666 -4.573 577 1HG1 ILE 78 2HG1 ILE 78 4.131 3.479 -6.511 578 2HG1 ILE 78 1HG1 ILE 78 4.161 2.347 -5.159 579 1HG2 ILE 78 2HG2 ILE 78 2.298 6.098 -5.010 580 2HG2 ILE 78 1HG2 ILE 78 3.648 5.638 -6.047 581 3HG2 ILE 78 3HG2 ILE 78 2.004 5.172 -6.482 582 1HD1 ILE 78 3HD1 ILE 78 1.636 1.970 -5.777 583 2HD1 ILE 78 2HD1 ILE 78 2.115 2.632 -7.339 584 3HD1 ILE 78 1HD1 ILE 78 2.890 1.171 -6.725 585 H ASN 79 H ASN 79 1.858 3.781 -2.019 586 HA ASN 79 HA ASN 79 0.718 6.299 -1.584 587 1HB ASN 79 2HB ASN 79 -0.271 4.050 -0.991 588 2HB ASN 79 1HB ASN 79 0.782 4.041 0.424 589 1HD2 ASN 79 2HD2 ASN 79 -2.641 5.680 1.041 590 2HD2 ASN 79 1HD2 ASN 79 -2.257 4.284 0.156 591 H GLY 80 H GLY 80 3.051 4.507 0.440 592 1HA GLY 80 2HA GLY 80 3.352 6.486 2.426 593 2HA GLY 80 1HA GLY 80 4.522 5.221 2.066 594 H ALA 81 H ALA 81 4.946 6.018 -0.679 595 HA ALA 81 HA ALA 81 7.042 7.893 -0.297 596 1HB ALA 81 1HB ALA 81 6.857 6.120 -2.130 597 2HB ALA 81 3HB ALA 81 5.777 7.242 -2.958 598 3HB ALA 81 2HB ALA 81 7.445 7.706 -2.627 599 H LEU 82 H LEU 82 3.710 8.188 -1.353 600 HA LEU 82 HA LEU 82 3.897 10.839 -2.373 601 1HB LEU 82 2HB LEU 82 1.936 8.904 -2.342 602 2HB LEU 82 1HB LEU 82 1.300 10.091 -1.205 603 HG LEU 82 HG LEU 82 2.447 11.102 -3.772 604 1HD1 LEU 82 2HD1 LEU 82 -0.234 9.714 -3.498 605 2HD1 LEU 82 1HD1 LEU 82 0.194 10.769 -4.845 606 3HD1 LEU 82 3HD1 LEU 82 1.084 9.270 -4.581 607 1HD2 LEU 82 3HD2 LEU 82 0.491 11.910 -1.680 608 2HD2 LEU 82 2HD2 LEU 82 1.649 12.893 -2.577 609 3HD2 LEU 82 1HD2 LEU 82 0.123 12.422 -3.327 610 H ALA 83 H ALA 83 3.427 9.481 0.818 611 HA ALA 83 HA ALA 83 2.454 11.768 2.150 612 1HB ALA 83 3HB ALA 83 2.555 9.435 3.099 613 2HB ALA 83 2HB ALA 83 4.289 9.669 3.326 614 3HB ALA 83 1HB ALA 83 3.140 10.691 4.190 615 H GLU 84 H GLU 84 5.686 10.763 1.225 616 HA GLU 84 HA GLU 84 6.782 13.234 2.430 617 1HB GLU 84 2HB GLU 84 7.966 10.528 1.898 618 2HB GLU 84 1HB GLU 84 9.016 11.945 1.950 619 1HG GLU 84 2HG GLU 84 7.012 11.547 4.145 620 2HG GLU 84 1HG GLU 84 8.497 10.594 4.163 621 H ALA 85 H ALA 85 5.397 13.544 0.095 622 HA ALA 85 HA ALA 85 7.368 13.576 -2.082 623 1HB ALA 85 2HB ALA 85 5.086 12.724 -2.556 624 2HB ALA 85 1HB ALA 85 4.428 14.305 -2.130 625 3HB ALA 85 3HB ALA 85 5.486 14.138 -3.531 626 H ALA 86 HN ALA 86 8.022 15.289 -0.036 627 HA ALA 86 HA ALA 86 8.639 17.467 0.368 628 1HB ALA 86 3HB ALA 86 9.069 17.150 -2.252 629 2HB ALA 86 2HB ALA 86 7.792 18.363 -2.342 630 3HB ALA 86 1HB ALA 86 9.275 18.708 -1.452 No H/Q in entry = 630 Start of MODEL 18 1 1H MET 1 2H MET 1 -1.440 17.974 -0.005 2 2H MET 1 1H MET 1 -2.817 18.726 -0.658 3 3H MET 1 3H MET 1 -2.578 18.709 1.021 4 HA MET 1 HA MET 1 -4.220 17.079 0.522 5 1HB MET 1 2HB MET 1 -2.205 16.307 -1.580 6 2HB MET 1 1HB MET 1 -3.379 15.130 -0.992 7 1HG MET 1 2HG MET 1 -4.368 17.839 -1.794 8 2HG MET 1 1HG MET 1 -3.945 16.691 -3.065 9 1HE MET 1 1HE MET 1 -5.928 17.964 -0.514 10 2HE MET 1 3HE MET 1 -7.351 17.757 -1.544 11 3HE MET 1 2HE MET 1 -7.203 16.841 -0.046 12 H ALA 2 H ALA 2 -3.932 14.580 0.978 13 HA ALA 2 HA ALA 2 -1.645 14.230 2.823 14 1HB ALA 2 3HB ALA 2 -4.546 13.498 3.266 15 2HB ALA 2 2HB ALA 2 -3.225 12.884 4.259 16 3HB ALA 2 1HB ALA 2 -3.566 14.614 4.216 17 H THR 3 H THR 3 -4.263 12.503 1.133 18 HA THR 3 HA THR 3 -2.390 10.622 -0.007 19 HB THR 3 HB THR 3 -4.522 9.324 1.639 20 HG1 THR 3 HG1 THR 3 -3.533 9.738 3.436 21 1HG2 THR 3 1HG2 THR 3 -1.938 8.636 0.328 22 2HG2 THR 3 3HG2 THR 3 -2.345 7.767 1.809 23 3HG2 THR 3 2HG2 THR 3 -3.434 7.706 0.424 24 H LEU 4 H LEU 4 -3.490 9.065 -1.441 25 HA LEU 4 HA LEU 4 -6.268 9.547 -2.076 26 1HB LEU 4 2HB LEU 4 -5.626 10.027 -4.542 27 2HB LEU 4 1HB LEU 4 -5.628 11.347 -3.386 28 HG LEU 4 HG LEU 4 -3.638 11.256 -4.966 29 1HD1 LEU 4 2HD1 LEU 4 -3.818 12.137 -2.405 30 2HD1 LEU 4 1HD1 LEU 4 -2.445 11.038 -2.277 31 3HD1 LEU 4 3HD1 LEU 4 -2.404 12.369 -3.432 32 1HD2 LEU 4 2HD2 LEU 4 -3.419 8.694 -4.672 33 2HD2 LEU 4 1HD2 LEU 4 -1.936 9.645 -4.705 34 3HD2 LEU 4 3HD2 LEU 4 -2.581 9.076 -3.168 35 H LEU 5 H LEU 5 -4.448 7.320 -1.367 36 HA LEU 5 HA LEU 5 -5.203 5.537 -3.590 37 1HB LEU 5 2HB LEU 5 -2.555 6.261 -3.037 38 2HB LEU 5 1HB LEU 5 -2.736 4.674 -2.292 39 HG LEU 5 HG LEU 5 -3.788 3.907 -4.489 40 1HD1 LEU 5 3HD1 LEU 5 -3.998 6.473 -5.132 41 2HD1 LEU 5 2HD1 LEU 5 -2.372 6.218 -5.763 42 3HD1 LEU 5 1HD1 LEU 5 -3.718 5.255 -6.376 43 1HD2 LEU 5 2HD2 LEU 5 -0.949 4.592 -3.957 44 2HD2 LEU 5 1HD2 LEU 5 -1.674 3.036 -4.367 45 3HD2 LEU 5 3HD2 LEU 5 -1.340 4.216 -5.636 46 H THR 6 H THR 6 -6.039 3.606 -2.969 47 HA THR 6 HA THR 6 -5.920 2.927 -0.093 48 HB THR 6 HB THR 6 -8.327 2.085 -0.421 49 HG1 THR 6 HG1 THR 6 -8.119 3.920 -2.573 50 1HG2 THR 6 1HG2 THR 6 -7.380 4.907 -0.183 51 2HG2 THR 6 3HG2 THR 6 -9.114 4.630 -0.340 52 3HG2 THR 6 2HG2 THR 6 -8.222 3.903 0.996 53 H THR 7 H THR 7 -7.065 0.645 0.137 54 HA THR 7 HA THR 7 -5.355 -1.260 -1.035 55 HB THR 7 HB THR 7 -8.104 -1.882 0.045 56 HG1 THR 7 HG1 THR 7 -5.707 -1.257 1.418 57 1HG2 THR 7 3HG2 THR 7 -5.933 -3.452 -0.860 58 2HG2 THR 7 2HG2 THR 7 -5.933 -3.575 0.899 59 3HG2 THR 7 1HG2 THR 7 -7.379 -4.006 -0.014 60 H ASP 8 H ASP 8 -8.754 -0.463 -1.729 61 HA ASP 8 HA ASP 8 -9.179 -2.281 -3.815 62 1HB ASP 8 2HB ASP 8 -10.876 -0.713 -2.675 63 2HB ASP 8 1HB ASP 8 -10.330 0.504 -3.830 64 H ASP 9 H ASP 9 -7.363 0.686 -3.726 65 HA ASP 9 HA ASP 9 -7.285 1.183 -6.533 66 1HB ASP 9 2HB ASP 9 -6.718 2.840 -4.683 67 2HB ASP 9 1HB ASP 9 -5.174 1.999 -4.536 68 H LEU 10 H LEU 10 -5.041 -0.435 -4.263 69 HA LEU 10 HA LEU 10 -3.063 -1.035 -6.179 70 1HB LEU 10 2HB LEU 10 -2.028 -2.327 -4.551 71 2HB LEU 10 1HB LEU 10 -3.017 -1.268 -3.559 72 HG LEU 10 HG LEU 10 -4.786 -3.257 -3.862 73 1HD1 LEU 10 3HD1 LEU 10 -2.113 -4.394 -4.555 74 2HD1 LEU 10 2HD1 LEU 10 -3.196 -5.372 -3.565 75 3HD1 LEU 10 1HD1 LEU 10 -3.709 -4.832 -5.163 76 1HD2 LEU 10 3HD2 LEU 10 -3.872 -2.407 -1.718 77 2HD2 LEU 10 2HD2 LEU 10 -3.983 -4.168 -1.723 78 3HD2 LEU 10 1HD2 LEU 10 -2.422 -3.381 -1.965 79 H ARG 11 H ARG 11 -6.045 -2.643 -5.318 80 HA ARG 11 HA ARG 11 -5.616 -5.087 -6.686 81 1HB ARG 11 2HB ARG 11 -7.594 -4.114 -5.075 82 2HB ARG 11 1HB ARG 11 -8.386 -4.056 -6.647 83 1HG ARG 11 2HG ARG 11 -7.776 -6.431 -7.026 84 2HG ARG 11 1HG ARG 11 -7.041 -6.484 -5.424 85 1HD ARG 11 2HD ARG 11 -9.246 -7.374 -5.172 86 2HD ARG 11 1HD ARG 11 -9.286 -5.750 -4.494 87 HE ARG 11 HE ARG 11 -10.130 -6.114 -7.291 88 1HH1 ARG 11 1HH2 ARG 11 -10.617 -3.629 -5.564 89 2HH1 ARG 11 2HH2 ARG 11 -12.297 -3.803 -5.183 90 1HH2 ARG 11 2HH1 ARG 11 -12.433 -7.142 -6.107 91 2HH2 ARG 11 1HH1 ARG 11 -13.326 -5.792 -5.490 92 H ARG 12 H ARG 12 -7.187 -2.060 -7.670 93 HA ARG 12 HA ARG 12 -7.975 -2.855 -10.246 94 1HB ARG 12 2HB ARG 12 -8.500 -0.673 -8.898 95 2HB ARG 12 1HB ARG 12 -7.065 -0.049 -9.714 96 1HG ARG 12 2HG ARG 12 -8.261 -1.133 -11.842 97 2HG ARG 12 1HG ARG 12 -9.702 -0.851 -10.865 98 1HD ARG 12 2HD ARG 12 -8.406 1.521 -10.536 99 2HD ARG 12 1HD ARG 12 -7.889 1.095 -12.163 100 HE ARG 12 HE ARG 12 -10.156 1.220 -12.873 101 1HH1 ARG 12 2HH1 ARG 12 -12.067 0.364 -11.107 102 2HH1 ARG 12 1HH1 ARG 12 -12.589 1.735 -10.186 103 1HH2 ARG 12 1HH2 ARG 12 -9.817 3.659 -10.982 104 2HH2 ARG 12 2HH2 ARG 12 -11.315 3.601 -10.116 105 H ALA 13 H ALA 13 -4.907 -1.653 -9.020 106 HA ALA 13 HA ALA 13 -3.698 -1.229 -11.580 107 1HB ALA 13 1HB ALA 13 -2.699 -1.414 -8.762 108 2HB ALA 13 3HB ALA 13 -1.543 -1.502 -10.092 109 3HB ALA 13 2HB ALA 13 -2.571 -0.081 -9.909 110 H LEU 14 H LEU 14 -4.025 -3.956 -9.410 111 HA LEU 14 HA LEU 14 -2.095 -5.604 -10.781 112 1HB LEU 14 2HB LEU 14 -4.060 -6.010 -8.559 113 2HB LEU 14 1HB LEU 14 -3.375 -7.419 -9.369 114 HG LEU 14 HG LEU 14 -1.395 -5.339 -8.668 115 1HD1 LEU 14 3HD1 LEU 14 -3.216 -6.526 -6.634 116 2HD1 LEU 14 2HD1 LEU 14 -1.495 -6.515 -6.244 117 3HD1 LEU 14 1HD1 LEU 14 -2.328 -5.002 -6.600 118 1HD2 LEU 14 3HD2 LEU 14 -1.670 -8.304 -8.757 119 2HD2 LEU 14 2HD2 LEU 14 -0.348 -7.281 -9.317 120 3HD2 LEU 14 1HD2 LEU 14 -0.507 -7.654 -7.601 121 H VAL 15 H VAL 15 -5.453 -4.852 -11.189 122 HA VAL 15 HA VAL 15 -6.015 -7.256 -12.735 123 HB VAL 15 HB VAL 15 -7.743 -4.802 -12.338 124 1HG1 VAL 15 3HG1 VAL 15 -8.167 -7.555 -13.484 125 2HG1 VAL 15 2HG1 VAL 15 -9.516 -6.671 -12.770 126 3HG1 VAL 15 1HG1 VAL 15 -8.649 -5.994 -14.149 127 1HG2 VAL 15 3HG2 VAL 15 -6.905 -6.408 -10.319 128 2HG2 VAL 15 2HG2 VAL 15 -8.505 -5.671 -10.358 129 3HG2 VAL 15 1HG2 VAL 15 -8.290 -7.339 -10.888 130 H GLU 16 H GLU 16 -5.135 -3.916 -13.257 131 HA GLU 16 HA GLU 16 -5.946 -3.555 -15.908 132 1HB GLU 16 2HB GLU 16 -3.716 -2.419 -14.255 133 2HB GLU 16 1HB GLU 16 -3.806 -2.051 -15.978 134 1HG GLU 16 2HG GLU 16 -6.269 -1.765 -14.286 135 2HG GLU 16 1HG GLU 16 -5.043 -0.498 -14.249 136 H CYS 17 H CYS 17 -3.304 -5.413 -14.586 137 HA CYS 17 HA CYS 17 -1.667 -5.616 -16.866 138 1HB CYS 17 2HB CYS 17 -2.142 -7.668 -14.689 139 2HB CYS 17 1HB CYS 17 -0.803 -7.681 -15.836 140 HG CYS 17 HG CYS 17 -0.158 -5.255 -14.772 141 H ALA 18 H ALA 18 -4.438 -7.551 -15.791 142 HA ALA 18 HA ALA 18 -4.452 -8.875 -18.440 143 1HB ALA 18 3HB ALA 18 -5.079 -9.853 -15.699 144 2HB ALA 18 2HB ALA 18 -6.069 -10.468 -17.022 145 3HB ALA 18 1HB ALA 18 -4.321 -10.694 -17.049 146 H GLY 19 H GLY 19 -6.855 -8.342 -15.866 147 1HA GLY 19 2HA GLY 19 -8.681 -6.762 -16.107 148 2HA GLY 19 1HA GLY 19 -8.594 -7.004 -17.851 149 H GLU 20 H GLU 20 -10.546 -7.556 -15.396 150 HA GLU 20 HA GLU 20 -12.285 -9.000 -14.980 151 1HB GLU 20 2HB GLU 20 -11.679 -9.766 -17.841 152 2HB GLU 20 1HB GLU 20 -13.043 -10.416 -16.930 153 1HG GLU 20 2HG GLU 20 -13.570 -7.894 -16.436 154 2HG GLU 20 1HG GLU 20 -12.560 -7.596 -17.852 155 H THR 21 H THR 21 -11.438 -10.229 -13.371 156 HA THR 21 HA THR 21 -10.343 -11.948 -12.294 157 HB THR 21 HB THR 21 -12.373 -13.083 -12.689 158 HG1 THR 21 HG1 THR 21 -11.489 -14.934 -12.354 159 1HG2 THR 21 2HG2 THR 21 -11.380 -13.518 -15.513 160 2HG2 THR 21 1HG2 THR 21 -12.835 -14.248 -14.840 161 3HG2 THR 21 3HG2 THR 21 -12.730 -12.499 -15.018 162 H ASP 22 H ASP 22 -8.213 -11.814 -12.490 163 HA ASP 22 HA ASP 22 -6.899 -12.942 -14.867 164 1HB ASP 22 2HB ASP 22 -4.825 -11.961 -13.879 165 2HB ASP 22 1HB ASP 22 -6.072 -10.759 -14.213 166 H GLY 23 H GLY 23 -8.255 -14.555 -12.746 167 1HA GLY 23 2HA GLY 23 -7.696 -16.774 -12.123 168 2HA GLY 23 1HA GLY 23 -5.989 -16.342 -12.194 169 H THR 24 H THR 24 -8.855 -15.106 -10.465 170 HA THR 24 HA THR 24 -7.724 -15.779 -7.893 171 HB THR 24 HB THR 24 -8.355 -12.887 -8.093 172 HG1 THR 24 HG1 THR 24 -5.852 -13.910 -8.931 173 1HG2 THR 24 3HG2 THR 24 -6.274 -14.568 -6.671 174 2HG2 THR 24 2HG2 THR 24 -6.408 -12.816 -6.511 175 3HG2 THR 24 1HG2 THR 24 -7.724 -13.855 -5.964 176 H ASP 25 H ASP 25 -9.334 -16.290 -6.600 177 HA ASP 25 HA ASP 25 -12.066 -15.514 -7.345 178 1HB ASP 25 2HB ASP 25 -10.919 -17.715 -5.644 179 2HB ASP 25 1HB ASP 25 -12.619 -17.262 -5.515 180 H LEU 26 H LEU 26 -11.810 -13.352 -6.561 181 HA LEU 26 HA LEU 26 -11.151 -12.666 -3.908 182 1HB LEU 26 2HB LEU 26 -12.614 -11.309 -6.145 183 2HB LEU 26 1HB LEU 26 -12.698 -10.614 -4.529 184 HG LEU 26 HG LEU 26 -10.837 -9.642 -5.841 185 1HD1 LEU 26 1HD1 LEU 26 -10.766 -10.182 -3.282 186 2HD1 LEU 26 3HD1 LEU 26 -9.566 -11.387 -3.751 187 3HD1 LEU 26 2HD1 LEU 26 -9.284 -9.682 -4.097 188 1HD2 LEU 26 2HD2 LEU 26 -10.409 -11.712 -7.205 189 2HD2 LEU 26 1HD2 LEU 26 -8.944 -11.006 -6.522 190 3HD2 LEU 26 3HD2 LEU 26 -9.660 -12.439 -5.784 191 H SER 27 H SER 27 -12.208 -14.075 -2.524 192 HA SER 27 HA SER 27 -15.118 -13.604 -2.246 193 1HB SER 27 2HB SER 27 -13.542 -16.138 -2.118 194 2HB SER 27 1HB SER 27 -14.934 -15.964 -1.053 195 HG SER 27 HG SER 27 -14.840 -16.418 -3.715 196 H GLY 28 H GLY 28 -12.955 -12.109 -1.032 197 1HA GLY 28 2HA GLY 28 -13.819 -11.627 1.491 198 2HA GLY 28 1HA GLY 28 -12.728 -12.990 1.719 199 H ASP 29 H ASP 29 -10.566 -12.657 1.729 200 HA ASP 29 HA ASP 29 -9.660 -9.867 1.418 201 1HB ASP 29 2HB ASP 29 -8.377 -12.196 2.869 202 2HB ASP 29 1HB ASP 29 -7.703 -10.570 2.762 203 H PHE 30 H PHE 30 -7.332 -9.680 0.673 204 HA PHE 30 HA PHE 30 -6.459 -11.746 -1.181 205 1HB PHE 30 2HB PHE 30 -6.460 -10.347 -3.144 206 2HB PHE 30 1HB PHE 30 -8.086 -10.371 -2.476 207 HD1 PHE 30 HD2 PHE 30 -8.416 -8.424 -0.544 208 HD2 PHE 30 HD1 PHE 30 -5.701 -8.281 -3.872 209 HE1 PHE 30 HE2 PHE 30 -8.393 -5.952 -0.422 210 HE2 PHE 30 HE1 PHE 30 -5.682 -5.808 -3.748 211 HZ PHE 30 HZ PHE 30 -7.029 -4.644 -2.026 212 H LEU 31 H LEU 31 -5.462 -10.469 1.255 213 HA LEU 31 HA LEU 31 -2.905 -9.482 0.165 214 1HB LEU 31 2HB LEU 31 -4.378 -8.363 2.558 215 2HB LEU 31 1HB LEU 31 -2.758 -7.886 2.039 216 HG LEU 31 HG LEU 31 -5.098 -7.783 0.140 217 1HD1 LEU 31 1HD1 LEU 31 -4.507 -6.008 2.422 218 2HD1 LEU 31 3HD1 LEU 31 -4.713 -5.176 0.880 219 3HD1 LEU 31 2HD1 LEU 31 -6.000 -6.211 1.503 220 1HD2 LEU 31 3HD2 LEU 31 -2.302 -6.684 0.279 221 2HD2 LEU 31 2HD2 LEU 31 -3.092 -7.547 -1.040 222 3HD2 LEU 31 1HD2 LEU 31 -3.517 -5.868 -0.705 223 H ASP 32 H ASP 32 -3.686 -12.124 1.008 224 HA ASP 32 HA ASP 32 -1.920 -12.463 3.361 225 1HB ASP 32 2HB ASP 32 -4.485 -13.767 2.600 226 2HB ASP 32 1HB ASP 32 -3.250 -14.798 3.322 227 H LEU 33 H LEU 33 -2.983 -13.811 0.268 228 HA LEU 33 HA LEU 33 -0.294 -14.914 -0.145 229 1HB LEU 33 2HB LEU 33 -2.177 -16.619 0.710 230 2HB LEU 33 1HB LEU 33 -2.578 -16.622 -1.008 231 HG LEU 33 HG LEU 33 -0.090 -17.021 -1.442 232 1HD1 LEU 33 1HD1 LEU 33 -0.201 -17.651 1.525 233 2HD1 LEU 33 3HD1 LEU 33 1.148 -18.039 0.458 234 3HD1 LEU 33 2HD1 LEU 33 0.731 -16.356 0.774 235 1HD2 LEU 33 2HD2 LEU 33 -2.063 -18.920 -0.265 236 2HD2 LEU 33 1HD2 LEU 33 -1.284 -18.946 -1.847 237 3HD2 LEU 33 3HD2 LEU 33 -0.403 -19.494 -0.421 238 H ARG 34 H ARG 34 -0.737 -12.709 -1.346 239 HA ARG 34 HA ARG 34 -2.061 -13.170 -3.930 240 1HB ARG 34 2HB ARG 34 -2.502 -11.075 -2.566 241 2HB ARG 34 1HB ARG 34 -0.851 -10.581 -2.942 242 1HG ARG 34 2HG ARG 34 -2.286 -9.581 -4.599 243 2HG ARG 34 1HG ARG 34 -1.415 -10.895 -5.389 244 1HD ARG 34 2HD ARG 34 -3.302 -12.117 -5.713 245 2HD ARG 34 1HD ARG 34 -3.955 -11.712 -4.130 246 HE ARG 34 HE ARG 34 -5.003 -9.829 -5.082 247 1HH1 ARG 34 1HH2 ARG 34 -2.577 -9.262 -6.965 248 2HH1 ARG 34 2HH2 ARG 34 -3.343 -9.413 -8.510 249 1HH2 ARG 34 2HH1 ARG 34 -6.168 -10.981 -7.252 250 2HH2 ARG 34 1HH1 ARG 34 -5.376 -10.388 -8.673 251 H PHE 35 H PHE 35 0.928 -11.493 -2.912 252 HA PHE 35 HA PHE 35 2.184 -11.911 -5.455 253 1HB PHE 35 2HB PHE 35 3.089 -10.832 -2.806 254 2HB PHE 35 1HB PHE 35 4.275 -11.199 -4.057 255 HD1 PHE 35 HD1 PHE 35 0.963 -9.480 -3.656 256 HD2 PHE 35 HD2 PHE 35 4.792 -9.526 -5.616 257 HE1 PHE 35 HE1 PHE 35 0.421 -7.335 -4.778 258 HE2 PHE 35 HE2 PHE 35 4.242 -7.390 -6.729 259 HZ PHE 35 HZ PHE 35 2.066 -6.291 -6.314 260 H GLU 36 H GLU 36 2.217 -13.558 -2.356 261 HA GLU 36 HA GLU 36 4.259 -15.436 -3.341 262 1HB GLU 36 2HB GLU 36 4.221 -16.300 -0.989 263 2HB GLU 36 1HB GLU 36 4.716 -14.613 -1.127 264 1HG GLU 36 2HG GLU 36 2.677 -13.811 -0.288 265 2HG GLU 36 1HG GLU 36 1.823 -15.307 -0.671 266 H ASP 37 H ASP 37 2.242 -15.883 -4.826 267 HA ASP 37 HA ASP 37 0.873 -18.236 -3.669 268 1HB ASP 37 2HB ASP 37 -0.579 -16.116 -4.083 269 2HB ASP 37 1HB ASP 37 -0.424 -16.544 -5.787 270 H ILE 38 H ILE 38 1.257 -16.665 -6.856 271 HA ILE 38 HA ILE 38 1.895 -19.317 -7.979 272 HB ILE 38 HB ILE 38 1.238 -18.419 -10.144 273 1HG1 ILE 38 2HG1 ILE 38 0.462 -15.825 -8.803 274 2HG1 ILE 38 1HG1 ILE 38 2.063 -16.024 -9.515 275 1HG2 ILE 38 1HG2 ILE 38 -0.450 -19.045 -8.164 276 2HG2 ILE 38 3HG2 ILE 38 -0.917 -17.358 -8.375 277 3HG2 ILE 38 2HG2 ILE 38 -1.028 -18.481 -9.732 278 1HD1 ILE 38 1HD1 ILE 38 0.969 -16.691 -11.664 279 2HD1 ILE 38 3HD1 ILE 38 -0.596 -16.324 -10.938 280 3HD1 ILE 38 2HD1 ILE 38 0.589 -15.039 -11.178 281 H GLY 39 H GLY 39 3.802 -17.579 -6.524 282 1HA GLY 39 2HA GLY 39 6.013 -16.952 -6.714 283 2HA GLY 39 1HA GLY 39 6.049 -17.878 -8.214 284 H TYR 40 H TYR 40 4.221 -14.995 -7.222 285 HA TYR 40 HA TYR 40 4.355 -13.710 -9.717 286 1HB TYR 40 2HB TYR 40 3.334 -13.112 -7.090 287 2HB TYR 40 1HB TYR 40 4.187 -11.701 -7.706 288 HD1 TYR 40 HD2 TYR 40 1.492 -14.161 -8.473 289 HD2 TYR 40 HD1 TYR 40 3.303 -10.392 -9.487 290 HE1 TYR 40 HE2 TYR 40 -0.424 -13.635 -9.957 291 HE2 TYR 40 HE1 TYR 40 1.383 -9.873 -10.971 292 HH TYR 40 HH TYR 40 -0.845 -12.178 -11.971 293 H ASP 41 H ASP 41 6.461 -13.729 -10.509 294 HA ASP 41 HA ASP 41 8.683 -12.691 -9.044 295 1HB ASP 41 2HB ASP 41 9.796 -12.649 -11.319 296 2HB ASP 41 1HB ASP 41 9.186 -14.222 -10.816 297 H SER 42 H SER 42 9.891 -10.785 -9.669 298 HA SER 42 HA SER 42 8.379 -8.435 -9.561 299 1HB SER 42 2HB SER 42 10.708 -8.458 -8.877 300 2HB SER 42 1HB SER 42 11.221 -8.835 -10.519 301 HG SER 42 HG SER 42 9.750 -6.525 -9.767 302 H LEU 43 H LEU 43 9.453 -10.302 -12.312 303 HA LEU 43 HA LEU 43 9.241 -8.362 -14.333 304 1HB LEU 43 2HB LEU 43 10.153 -10.757 -14.505 305 2HB LEU 43 1HB LEU 43 8.473 -11.249 -14.723 306 HG LEU 43 HG LEU 43 8.366 -9.458 -16.567 307 1HD1 LEU 43 1HD1 LEU 43 11.360 -9.698 -16.160 308 2HD1 LEU 43 3HD1 LEU 43 10.620 -9.017 -17.609 309 3HD1 LEU 43 2HD1 LEU 43 10.385 -8.232 -16.048 310 1HD2 LEU 43 1HD2 LEU 43 10.066 -11.955 -16.795 311 2HD2 LEU 43 3HD2 LEU 43 8.351 -11.785 -17.169 312 3HD2 LEU 43 2HD2 LEU 43 9.558 -11.012 -18.195 313 H ALA 44 H ALA 44 6.805 -10.489 -12.894 314 HA ALA 44 HA ALA 44 4.687 -9.862 -14.659 315 1HB ALA 44 3HB ALA 44 4.859 -10.999 -11.896 316 2HB ALA 44 2HB ALA 44 3.288 -10.486 -12.513 317 3HB ALA 44 1HB ALA 44 4.211 -11.724 -13.367 318 H LEU 45 H LEU 45 5.507 -8.555 -11.451 319 HA LEU 45 HA LEU 45 3.530 -6.428 -11.781 320 1HB LEU 45 2HB LEU 45 4.278 -5.766 -9.474 321 2HB LEU 45 1HB LEU 45 3.594 -7.378 -9.616 322 HG LEU 45 HG LEU 45 6.457 -7.465 -10.081 323 1HD1 LEU 45 1HD1 LEU 45 5.456 -6.099 -7.590 324 2HD1 LEU 45 3HD1 LEU 45 6.946 -7.038 -7.577 325 3HD1 LEU 45 2HD1 LEU 45 6.799 -5.633 -8.635 326 1HD2 LEU 45 3HD2 LEU 45 4.460 -8.716 -8.205 327 2HD2 LEU 45 2HD2 LEU 45 5.408 -9.482 -9.478 328 3HD2 LEU 45 1HD2 LEU 45 6.187 -8.989 -7.975 329 H MET 46 H MET 46 6.353 -6.733 -13.147 330 HA MET 46 HA MET 46 7.830 -4.430 -12.347 331 1HB MET 46 2HB MET 46 8.384 -6.569 -13.955 332 2HB MET 46 1HB MET 46 8.117 -5.310 -15.156 333 1HG MET 46 2HG MET 46 9.715 -3.846 -13.889 334 2HG MET 46 1HG MET 46 10.064 -5.217 -12.836 335 1HE MET 46 1HE MET 46 9.966 -3.557 -15.937 336 2HE MET 46 3HE MET 46 11.661 -3.725 -16.416 337 3HE MET 46 2HE MET 46 10.417 -4.686 -17.211 338 H GLU 47 H GLU 47 5.475 -5.075 -14.915 339 HA GLU 47 HA GLU 47 5.624 -2.427 -16.023 340 1HB GLU 47 2HB GLU 47 4.787 -4.686 -17.104 341 2HB GLU 47 1HB GLU 47 3.237 -4.183 -16.429 342 1HG GLU 47 2HG GLU 47 3.084 -3.061 -18.424 343 2HG GLU 47 1HG GLU 47 4.004 -1.847 -17.536 344 H THR 48 H THR 48 3.718 -4.008 -13.553 345 HA THR 48 HA THR 48 1.579 -2.163 -13.414 346 HB THR 48 HB THR 48 2.746 -3.709 -11.092 347 HG1 THR 48 HG1 THR 48 1.749 -5.439 -11.847 348 1HG2 THR 48 3HG2 THR 48 0.903 -1.886 -10.848 349 2HG2 THR 48 2HG2 THR 48 -0.147 -3.073 -11.622 350 3HG2 THR 48 1HG2 THR 48 0.639 -3.456 -10.090 351 H ALA 49 H ALA 49 4.601 -2.374 -11.535 352 HA ALA 49 HA ALA 49 4.137 0.076 -10.131 353 1HB ALA 49 1HB ALA 49 6.450 -1.800 -10.425 354 2HB ALA 49 3HB ALA 49 6.731 -0.191 -9.757 355 3HB ALA 49 2HB ALA 49 5.600 -1.290 -8.966 356 H ALA 50 H ALA 50 5.714 -0.797 -13.130 357 HA ALA 50 HA ALA 50 7.228 1.555 -13.527 358 1HB ALA 50 1HB ALA 50 6.176 -0.609 -15.295 359 2HB ALA 50 3HB ALA 50 6.764 0.873 -16.048 360 3HB ALA 50 2HB ALA 50 7.839 -0.084 -15.028 361 H ARG 51 H ARG 51 3.859 0.771 -14.144 362 HA ARG 51 HA ARG 51 3.371 3.241 -15.593 363 1HB ARG 51 2HB ARG 51 1.594 0.988 -14.661 364 2HB ARG 51 1HB ARG 51 0.943 2.461 -15.379 365 1HG ARG 51 2HG ARG 51 2.747 1.970 -17.251 366 2HG ARG 51 1HG ARG 51 2.616 0.320 -16.642 367 1HD ARG 51 2HD ARG 51 0.906 0.244 -18.171 368 2HD ARG 51 1HD ARG 51 0.003 0.890 -16.805 369 HE ARG 51 HE ARG 51 0.947 3.124 -18.070 370 1HH1 ARG 51 1HH2 ARG 51 0.975 1.976 -20.699 371 2HH1 ARG 51 2HH2 ARG 51 -0.669 2.048 -21.240 372 1HH2 ARG 51 2HH1 ARG 51 -1.972 2.503 -18.059 373 2HH2 ARG 51 1HH1 ARG 51 -2.338 2.346 -19.744 374 H LEU 52 H LEU 52 3.019 1.986 -12.347 375 HA LEU 52 HA LEU 52 1.271 3.994 -11.351 376 1HB LEU 52 2HB LEU 52 2.813 1.767 -10.271 377 2HB LEU 52 1HB LEU 52 2.832 3.155 -9.187 378 HG LEU 52 HG LEU 52 0.919 1.682 -8.696 379 1HD1 LEU 52 1HD1 LEU 52 0.820 4.279 -8.612 380 2HD1 LEU 52 3HD1 LEU 52 -0.219 4.131 -10.029 381 3HD1 LEU 52 2HD1 LEU 52 -0.694 3.382 -8.505 382 1HD2 LEU 52 1HD2 LEU 52 0.750 0.929 -11.158 383 2HD2 LEU 52 3HD2 LEU 52 -0.766 1.170 -10.289 384 3HD2 LEU 52 2HD2 LEU 52 -0.188 2.400 -11.414 385 H GLU 53 H GLU 53 4.708 3.900 -11.945 386 HA GLU 53 HA GLU 53 5.203 6.287 -10.338 387 1HB GLU 53 2HB GLU 53 7.544 6.010 -11.099 388 2HB GLU 53 1HB GLU 53 6.906 4.560 -10.322 389 1HG GLU 53 2HG GLU 53 6.914 3.347 -12.266 390 2HG GLU 53 1HG GLU 53 6.513 4.747 -13.261 391 H SER 54 H SER 54 3.613 6.095 -13.050 392 HA SER 54 HA SER 54 5.147 8.095 -14.560 393 1HB SER 54 2HB SER 54 2.931 6.206 -15.255 394 2HB SER 54 1HB SER 54 3.126 7.681 -16.197 395 HG SER 54 HG SER 54 4.365 5.584 -16.714 396 H ARG 55 H ARG 55 1.792 7.525 -13.482 397 HA ARG 55 HA ARG 55 0.989 10.235 -13.934 398 1HB ARG 55 2HB ARG 55 -0.574 8.263 -13.891 399 2HB ARG 55 1HB ARG 55 -0.356 8.204 -12.142 400 1HG ARG 55 2HG ARG 55 -2.298 9.519 -12.415 401 2HG ARG 55 1HG ARG 55 -1.018 10.708 -12.177 402 1HD ARG 55 2HD ARG 55 -1.147 10.094 -14.972 403 2HD ARG 55 1HD ARG 55 -2.779 10.434 -14.409 404 HE ARG 55 HE ARG 55 -0.489 12.296 -14.232 405 1HH1 ARG 55 2HH1 ARG 55 -2.030 13.390 -12.220 406 2HH1 ARG 55 1HH1 ARG 55 -3.330 14.250 -12.974 407 1HH2 ARG 55 1HH2 ARG 55 -2.979 12.637 -16.024 408 2HH2 ARG 55 2HH2 ARG 55 -3.867 13.824 -15.127 409 H TYR 56 H TYR 56 1.344 8.382 -10.900 410 HA TYR 56 HA TYR 56 1.289 10.739 -9.274 411 1HB TYR 56 2HB TYR 56 2.265 7.973 -8.526 412 2HB TYR 56 1HB TYR 56 1.787 9.258 -7.418 413 HD1 TYR 56 HD2 TYR 56 -0.653 10.343 -8.580 414 HD2 TYR 56 HD1 TYR 56 0.674 6.259 -8.369 415 HE1 TYR 56 HE2 TYR 56 -3.006 9.570 -8.709 416 HE2 TYR 56 HE1 TYR 56 -1.679 5.492 -8.499 417 HH TYR 56 HH TYR 56 -4.050 7.005 -9.611 418 H GLY 57 H GLY 57 3.798 8.907 -10.865 419 1HA GLY 57 2HA GLY 57 6.056 9.303 -11.100 420 2HA GLY 57 1HA GLY 57 5.741 10.935 -10.519 421 H VAL 58 H VAL 58 5.368 7.751 -8.984 422 HA VAL 58 HA VAL 58 6.251 8.615 -6.463 423 HB VAL 58 HB VAL 58 4.943 6.682 -6.407 424 1HG1 VAL 58 3HG1 VAL 58 6.440 5.927 -8.817 425 2HG1 VAL 58 2HG1 VAL 58 6.109 4.573 -7.736 426 3HG1 VAL 58 1HG1 VAL 58 4.780 5.555 -8.351 427 1HG2 VAL 58 2HG2 VAL 58 7.415 6.580 -5.247 428 2HG2 VAL 58 1HG2 VAL 58 6.140 5.391 -4.981 429 3HG2 VAL 58 3HG2 VAL 58 7.407 5.078 -6.168 430 H SER 59 H SER 59 8.147 5.946 -7.810 431 HA SER 59 HA SER 59 10.514 7.542 -8.182 432 1HB SER 59 2HB SER 59 10.054 6.958 -5.583 433 2HB SER 59 1HB SER 59 10.902 5.493 -6.068 434 HG SER 59 HG SER 59 12.343 7.130 -5.386 435 H ILE 60 H ILE 60 12.405 5.489 -7.814 436 HA ILE 60 HA ILE 60 11.464 3.452 -9.743 437 HB ILE 60 HB ILE 60 13.029 5.024 -10.804 438 1HG1 ILE 60 2HG1 ILE 60 14.543 2.456 -10.334 439 2HG1 ILE 60 1HG1 ILE 60 13.019 2.462 -11.223 440 1HG2 ILE 60 2HG2 ILE 60 14.270 5.126 -8.351 441 2HG2 ILE 60 1HG2 ILE 60 15.380 4.121 -9.278 442 3HG2 ILE 60 3HG2 ILE 60 14.960 5.733 -9.853 443 1HD1 ILE 60 1HD1 ILE 60 15.427 4.174 -11.912 444 2HD1 ILE 60 3HD1 ILE 60 14.992 2.672 -12.730 445 3HD1 ILE 60 2HD1 ILE 60 13.922 4.071 -12.828 446 HA PRO 61 HA PRO 61 13.050 1.286 -5.967 447 1HB PRO 61 2HB PRO 61 10.837 -0.245 -5.517 448 2HB PRO 61 1HB PRO 61 11.046 1.389 -4.868 449 1HG PRO 61 2HG PRO 61 9.310 0.453 -7.077 450 2HG PRO 61 1HG PRO 61 9.120 1.849 -6.004 451 1HD PRO 61 2HD PRO 61 10.067 1.898 -8.679 452 2HD PRO 61 1HD PRO 61 10.121 3.234 -7.508 453 H ASP 62 H ASP 62 14.463 -0.253 -6.606 454 HA ASP 62 HA ASP 62 13.596 -2.264 -8.575 455 1HB ASP 62 2HB ASP 62 16.373 -1.540 -7.610 456 2HB ASP 62 1HB ASP 62 16.003 -2.756 -8.834 457 H ASP 63 H ASP 63 15.287 -1.999 -5.456 458 HA ASP 63 HA ASP 63 15.188 -4.874 -5.051 459 1HB ASP 63 2HB ASP 63 16.270 -4.336 -2.870 460 2HB ASP 63 1HB ASP 63 17.151 -3.704 -4.261 461 H VAL 64 H VAL 64 13.684 -1.991 -3.607 462 HA VAL 64 HA VAL 64 12.234 -3.448 -1.632 463 HB VAL 64 HB VAL 64 12.732 -1.036 -1.428 464 1HG1 VAL 64 1HG1 VAL 64 12.262 -0.569 -3.890 465 2HG1 VAL 64 3HG1 VAL 64 10.549 -0.587 -3.469 466 3HG1 VAL 64 2HG1 VAL 64 11.622 0.611 -2.747 467 1HG2 VAL 64 3HG2 VAL 64 9.825 -1.882 -1.408 468 2HG2 VAL 64 2HG2 VAL 64 10.951 -1.865 -0.050 469 3HG2 VAL 64 1HG2 VAL 64 10.381 -0.346 -0.741 470 H ALA 65 H ALA 65 11.358 -2.182 -4.832 471 HA ALA 65 HA ALA 65 8.675 -3.282 -4.658 472 1HB ALA 65 3HB ALA 65 9.127 -1.178 -5.897 473 2HB ALA 65 2HB ALA 65 10.103 -2.095 -7.044 474 3HB ALA 65 1HB ALA 65 8.376 -2.410 -6.910 475 H GLY 66 H GLY 66 11.636 -3.939 -6.511 476 1HA GLY 66 2HA GLY 66 10.654 -6.089 -8.037 477 2HA GLY 66 1HA GLY 66 12.347 -5.818 -7.639 478 H ARG 67 H ARG 67 11.735 -5.906 -4.720 479 HA ARG 67 HA ARG 67 11.595 -8.844 -4.484 480 1HB ARG 67 2HB ARG 67 13.597 -7.319 -3.630 481 2HB ARG 67 1HB ARG 67 12.535 -7.116 -2.238 482 1HG ARG 67 2HG ARG 67 13.324 -9.090 -1.477 483 2HG ARG 67 1HG ARG 67 12.418 -9.860 -2.778 484 1HD ARG 67 2HD ARG 67 14.706 -10.603 -2.943 485 2HD ARG 67 1HD ARG 67 14.406 -9.497 -4.278 486 HE ARG 67 HE ARG 67 15.436 -8.020 -2.107 487 1HH1 ARG 67 2HH1 ARG 67 16.521 -7.978 -4.937 488 2HH1 ARG 67 1HH1 ARG 67 18.116 -8.617 -4.718 489 1HH2 ARG 67 1HH2 ARG 67 17.448 -9.924 -1.576 490 2HH2 ARG 67 2HH2 ARG 67 18.641 -9.718 -2.815 491 H VAL 68 H VAL 68 9.211 -7.248 -4.725 492 HA VAL 68 HA VAL 68 8.113 -7.000 -2.051 493 HB VAL 68 HB VAL 68 7.446 -5.412 -3.835 494 1HG1 VAL 68 1HG1 VAL 68 7.439 -7.299 -5.625 495 2HG1 VAL 68 3HG1 VAL 68 5.804 -7.619 -5.056 496 3HG1 VAL 68 2HG1 VAL 68 6.205 -6.045 -5.733 497 1HG2 VAL 68 2HG2 VAL 68 5.296 -7.187 -2.659 498 2HG2 VAL 68 1HG2 VAL 68 5.918 -5.675 -1.999 499 3HG2 VAL 68 3HG2 VAL 68 4.948 -5.662 -3.473 500 H ASP 69 H ASP 69 7.706 -8.814 -0.989 501 HA ASP 69 HA ASP 69 6.722 -11.174 -2.420 502 1HB ASP 69 2HB ASP 69 7.900 -10.684 0.287 503 2HB ASP 69 1HB ASP 69 6.886 -12.107 0.038 504 H THR 70 H THR 70 5.582 -8.633 -0.345 505 HA THR 70 HA THR 70 3.003 -10.048 -0.040 506 HB THR 70 HB THR 70 2.585 -8.436 1.833 507 HG1 THR 70 HG1 THR 70 4.149 -7.084 2.441 508 1HG2 THR 70 3HG2 THR 70 4.950 -10.310 1.906 509 2HG2 THR 70 2HG2 THR 70 4.374 -9.483 3.355 510 3HG2 THR 70 1HG2 THR 70 3.311 -10.594 2.492 511 HA PRO 71 HA PRO 71 1.266 -6.909 -2.640 512 1HB PRO 71 2HB PRO 71 -1.352 -7.060 -1.887 513 2HB PRO 71 1HB PRO 71 -0.550 -8.284 -2.882 514 1HG PRO 71 2HG PRO 71 -1.295 -8.384 -0.008 515 2HG PRO 71 1HG PRO 71 -1.197 -9.697 -1.192 516 1HD PRO 71 2HD PRO 71 0.729 -9.119 0.767 517 2HD PRO 71 1HD PRO 71 0.993 -10.132 -0.673 518 H ARG 72 H ARG 72 0.114 -6.835 0.729 519 HA ARG 72 HA ARG 72 -0.825 -4.211 0.851 520 1HB ARG 72 2HB ARG 72 -0.799 -6.147 2.643 521 2HB ARG 72 1HB ARG 72 0.673 -5.340 3.183 522 1HG ARG 72 2HG ARG 72 -0.808 -4.090 4.403 523 2HG ARG 72 1HG ARG 72 -0.940 -3.188 2.892 524 1HD ARG 72 2HD ARG 72 -2.950 -4.268 2.285 525 2HD ARG 72 1HD ARG 72 -2.691 -5.580 3.430 526 HE ARG 72 HE ARG 72 -2.895 -3.320 4.993 527 1HH1 ARG 72 1HH2 ARG 72 -4.752 -2.324 2.823 528 2HH1 ARG 72 2HH2 ARG 72 -6.288 -2.914 3.363 529 1HH2 ARG 72 2HH1 ARG 72 -4.928 -5.192 5.595 530 2HH2 ARG 72 1HH1 ARG 72 -6.388 -4.536 4.933 531 H GLU 73 H GLU 73 2.446 -5.412 0.790 532 HA GLU 73 HA GLU 73 3.744 -3.102 1.831 533 1HB GLU 73 2HB GLU 73 4.805 -5.363 1.625 534 2HB GLU 73 1HB GLU 73 4.858 -5.130 -0.122 535 1HG GLU 73 2HG GLU 73 6.285 -3.186 0.120 536 2HG GLU 73 1HG GLU 73 6.120 -3.232 1.875 537 H LEU 74 H LEU 74 2.942 -4.190 -1.449 538 HA LEU 74 HA LEU 74 4.213 -2.128 -2.876 539 1HB LEU 74 2HB LEU 74 2.999 -4.326 -3.690 540 2HB LEU 74 1HB LEU 74 1.613 -3.246 -3.851 541 HG LEU 74 HG LEU 74 3.354 -1.681 -5.066 542 1HD1 LEU 74 1HD1 LEU 74 4.556 -4.445 -5.415 543 2HD1 LEU 74 3HD1 LEU 74 5.033 -3.007 -6.318 544 3HD1 LEU 74 2HD1 LEU 74 5.311 -3.088 -4.579 545 1HD2 LEU 74 2HD2 LEU 74 1.306 -2.937 -5.993 546 2HD2 LEU 74 1HD2 LEU 74 2.571 -2.523 -7.149 547 3HD2 LEU 74 3HD2 LEU 74 2.449 -4.169 -6.527 548 H LEU 75 H LEU 75 0.942 -2.339 -1.514 549 HA LEU 75 HA LEU 75 -0.067 0.082 -2.546 550 1HB LEU 75 2HB LEU 75 -1.512 -1.607 -1.488 551 2HB LEU 75 1HB LEU 75 -0.735 -1.315 0.065 552 HG LEU 75 HG LEU 75 -1.482 1.188 -0.370 553 1HD1 LEU 75 2HD1 LEU 75 -2.334 0.404 -2.708 554 2HD1 LEU 75 1HD1 LEU 75 -3.714 -0.225 -1.807 555 3HD1 LEU 75 3HD1 LEU 75 -3.341 1.499 -1.760 556 1HD2 LEU 75 3HD2 LEU 75 -2.258 -0.497 1.397 557 2HD2 LEU 75 2HD2 LEU 75 -3.402 0.779 0.975 558 3HD2 LEU 75 1HD2 LEU 75 -3.609 -0.844 0.316 559 H ASP 76 H ASP 76 1.428 -0.584 0.631 560 HA ASP 76 HA ASP 76 1.438 2.144 1.436 561 1HB ASP 76 2HB ASP 76 1.670 0.117 2.953 562 2HB ASP 76 1HB ASP 76 3.348 0.023 2.419 563 H LEU 77 H LEU 77 3.364 0.458 -0.827 564 HA LEU 77 HA LEU 77 5.803 1.916 -0.481 565 1HB LEU 77 2HB LEU 77 5.257 -0.358 -1.759 566 2HB LEU 77 1HB LEU 77 5.069 0.739 -3.123 567 HG LEU 77 HG LEU 77 7.368 -0.083 -3.010 568 1HD1 LEU 77 3HD1 LEU 77 6.786 2.348 -3.638 569 2HD1 LEU 77 2HD1 LEU 77 7.442 2.778 -2.058 570 3HD1 LEU 77 1HD1 LEU 77 8.471 1.992 -3.256 571 1HD2 LEU 77 2HD2 LEU 77 6.982 0.336 -0.182 572 2HD2 LEU 77 1HD2 LEU 77 8.309 -0.484 -1.003 573 3HD2 LEU 77 3HD2 LEU 77 8.390 1.254 -0.715 574 H ILE 78 H ILE 78 3.510 1.949 -3.220 575 HA ILE 78 HA ILE 78 4.488 4.445 -4.214 576 HB ILE 78 HB ILE 78 1.841 3.107 -4.832 577 1HG1 ILE 78 2HG1 ILE 78 4.264 2.843 -6.567 578 2HG1 ILE 78 1HG1 ILE 78 4.175 1.838 -5.120 579 1HG2 ILE 78 3HG2 ILE 78 3.563 5.064 -6.387 580 2HG2 ILE 78 2HG2 ILE 78 2.069 4.329 -6.971 581 3HG2 ILE 78 1HG2 ILE 78 2.029 5.441 -5.604 582 1HD1 ILE 78 3HD1 ILE 78 1.786 2.007 -6.924 583 2HD1 ILE 78 2HD1 ILE 78 3.139 0.975 -7.388 584 3HD1 ILE 78 1HD1 ILE 78 2.293 0.690 -5.867 585 H ASN 79 H ASN 79 1.640 3.502 -2.367 586 HA ASN 79 HA ASN 79 0.296 5.951 -2.282 587 1HB ASN 79 2HB ASN 79 -0.519 3.670 -1.479 588 2HB ASN 79 1HB ASN 79 0.380 3.982 0.003 589 1HD2 ASN 79 2HD2 ASN 79 -2.967 5.238 0.758 590 2HD2 ASN 79 1HD2 ASN 79 -2.169 3.749 0.598 591 H GLY 80 H GLY 80 2.928 4.703 -0.286 592 1HA GLY 80 2HA GLY 80 2.859 6.915 1.568 593 2HA GLY 80 1HA GLY 80 4.094 5.663 1.480 594 H ALA 81 H ALA 81 4.535 6.139 -1.405 595 HA ALA 81 HA ALA 81 6.665 7.974 -1.224 596 1HB ALA 81 2HB ALA 81 6.054 6.097 -3.015 597 2HB ALA 81 1HB ALA 81 5.397 7.488 -3.876 598 3HB ALA 81 3HB ALA 81 7.101 7.458 -3.419 599 H LEU 82 H LEU 82 3.484 8.319 -2.803 600 HA LEU 82 HA LEU 82 3.851 11.041 -3.524 601 1HB LEU 82 2HB LEU 82 2.122 9.376 -4.446 602 2HB LEU 82 1HB LEU 82 1.164 9.774 -3.019 603 HG LEU 82 HG LEU 82 1.542 12.241 -3.689 604 1HD1 LEU 82 3HD1 LEU 82 3.258 11.226 -5.504 605 2HD1 LEU 82 2HD1 LEU 82 1.794 11.255 -6.487 606 3HD1 LEU 82 1HD1 LEU 82 2.398 12.744 -5.760 607 1HD2 LEU 82 3HD2 LEU 82 -0.143 10.350 -5.358 608 2HD2 LEU 82 2HD2 LEU 82 -0.638 11.191 -3.889 609 3HD2 LEU 82 1HD2 LEU 82 -0.332 12.103 -5.367 610 H ALA 83 H ALA 83 2.694 9.454 -0.627 611 HA ALA 83 HA ALA 83 1.345 11.580 0.606 612 1HB ALA 83 2HB ALA 83 2.884 9.239 1.712 613 2HB ALA 83 1HB ALA 83 2.113 10.422 2.768 614 3HB ALA 83 3HB ALA 83 1.138 9.473 1.647 615 H GLU 84 H GLU 84 4.762 10.936 0.236 616 HA GLU 84 HA GLU 84 5.477 13.102 2.076 617 1HB GLU 84 2HB GLU 84 6.957 10.885 0.734 618 2HB GLU 84 1HB GLU 84 7.853 12.346 1.156 619 1HG GLU 84 2HG GLU 84 6.495 11.995 3.459 620 2HG GLU 84 1HG GLU 84 6.595 10.315 2.931 621 H ALA 85 H ALA 85 5.295 12.383 -1.340 622 HA ALA 85 HA ALA 85 6.452 15.038 -1.943 623 1HB ALA 85 3HB ALA 85 7.643 13.095 -2.955 624 2HB ALA 85 2HB ALA 85 6.159 12.669 -3.806 625 3HB ALA 85 1HB ALA 85 6.972 14.194 -4.161 626 H ALA 86 HN ALA 86 3.784 14.780 -1.054 627 HA ALA 86 HA ALA 86 1.890 14.618 -3.147 628 1HB ALA 86 2HB ALA 86 1.852 15.971 -0.452 629 2HB ALA 86 1HB ALA 86 0.479 16.055 -1.557 630 3HB ALA 86 3HB ALA 86 1.025 14.494 -0.946 No H/Q in entry = 630 Start of MODEL 19 1 1H MET 1 3H MET 1 -6.306 16.040 3.018 2 2H MET 1 2H MET 1 -6.969 17.595 3.179 3 3H MET 1 1H MET 1 -7.463 16.586 1.909 4 HA MET 1 HA MET 1 -6.020 17.817 0.728 5 1HB MET 1 2HB MET 1 -3.945 18.819 1.806 6 2HB MET 1 1HB MET 1 -5.484 19.429 2.407 7 1HG MET 1 2HG MET 1 -5.281 17.614 4.233 8 2HG MET 1 1HG MET 1 -3.594 17.486 3.735 9 1HE MET 1 3HE MET 1 -1.978 19.070 3.683 10 2HE MET 1 2HE MET 1 -2.659 20.572 3.063 11 3HE MET 1 1HE MET 1 -1.859 20.557 4.632 12 H ALA 2 H ALA 2 -4.393 15.751 3.167 13 HA ALA 2 HA ALA 2 -2.571 14.754 1.111 14 1HB ALA 2 2HB ALA 2 -1.758 15.286 3.427 15 2HB ALA 2 1HB ALA 2 -2.747 13.954 4.024 16 3HB ALA 2 3HB ALA 2 -1.417 13.635 2.910 17 H THR 3 H THR 3 -3.787 13.480 -0.235 18 HA THR 3 HA THR 3 -4.479 10.857 0.784 19 HB THR 3 HB THR 3 -6.650 12.495 -0.541 20 HG1 THR 3 HG1 THR 3 -6.406 11.720 2.173 21 1HG2 THR 3 1HG2 THR 3 -6.368 9.806 -0.487 22 2HG2 THR 3 3HG2 THR 3 -7.189 10.053 1.055 23 3HG2 THR 3 2HG2 THR 3 -7.937 10.609 -0.442 24 H LEU 4 H LEU 4 -3.400 9.670 -0.652 25 HA LEU 4 HA LEU 4 -3.326 10.497 -3.465 26 1HB LEU 4 2HB LEU 4 -1.822 8.339 -1.968 27 2HB LEU 4 1HB LEU 4 -1.639 8.669 -3.690 28 HG LEU 4 HG LEU 4 -1.410 11.033 -1.914 29 1HD1 LEU 4 1HD1 LEU 4 0.561 8.741 -1.861 30 2HD1 LEU 4 3HD1 LEU 4 1.034 10.395 -1.474 31 3HD1 LEU 4 2HD1 LEU 4 -0.179 9.572 -0.493 32 1HD2 LEU 4 3HD2 LEU 4 0.072 9.907 -4.305 33 2HD2 LEU 4 2HD2 LEU 4 -0.998 11.309 -4.262 34 3HD2 LEU 4 1HD2 LEU 4 0.577 11.378 -3.473 35 H LEU 5 H LEU 5 -3.471 7.247 -2.008 36 HA LEU 5 HA LEU 5 -5.993 6.697 -3.352 37 1HB LEU 5 2HB LEU 5 -5.225 4.845 -4.673 38 2HB LEU 5 1HB LEU 5 -4.223 6.232 -5.081 39 HG LEU 5 HG LEU 5 -3.430 4.080 -3.092 40 1HD1 LEU 5 1HD1 LEU 5 -3.276 4.196 -6.024 41 2HD1 LEU 5 3HD1 LEU 5 -1.711 3.919 -5.260 42 3HD1 LEU 5 2HD1 LEU 5 -3.053 2.823 -4.940 43 1HD2 LEU 5 1HD2 LEU 5 -2.180 6.589 -4.136 44 2HD2 LEU 5 3HD2 LEU 5 -2.120 5.897 -2.514 45 3HD2 LEU 5 2HD2 LEU 5 -1.129 5.213 -3.801 46 H THR 6 H THR 6 -6.512 4.230 -2.983 47 HA THR 6 HA THR 6 -5.626 3.493 -0.260 48 HB THR 6 HB THR 6 -7.890 2.918 0.361 49 HG1 THR 6 HG1 THR 6 -8.473 3.673 -2.306 50 1HG2 THR 6 3HG2 THR 6 -7.168 5.296 0.600 51 2HG2 THR 6 2HG2 THR 6 -7.885 5.639 -0.974 52 3HG2 THR 6 1HG2 THR 6 -8.909 5.132 0.370 53 H THR 7 H THR 7 -6.863 1.217 0.173 54 HA THR 7 HA THR 7 -5.484 -0.730 -1.276 55 HB THR 7 HB THR 7 -8.085 -1.029 0.255 56 HG1 THR 7 HG1 THR 7 -5.403 -1.440 1.068 57 1HG2 THR 7 1HG2 THR 7 -6.706 -2.899 -1.343 58 2HG2 THR 7 3HG2 THR 7 -6.290 -3.292 0.325 59 3HG2 THR 7 2HG2 THR 7 -7.981 -3.231 -0.170 60 H ASP 8 H ASP 8 -8.625 0.728 -1.793 61 HA ASP 8 HA ASP 8 -9.762 -1.001 -3.665 62 1HB ASP 8 2HB ASP 8 -10.575 1.322 -2.606 63 2HB ASP 8 1HB ASP 8 -10.018 1.923 -4.169 64 H ASP 9 H ASP 9 -7.536 1.729 -4.173 65 HA ASP 9 HA ASP 9 -7.339 1.496 -6.991 66 1HB ASP 9 2HB ASP 9 -6.405 3.337 -5.272 67 2HB ASP 9 1HB ASP 9 -4.941 2.370 -5.451 68 H LEU 10 H LEU 10 -5.717 -0.058 -4.299 69 HA LEU 10 HA LEU 10 -3.543 -1.284 -5.528 70 1HB LEU 10 2HB LEU 10 -4.480 -1.330 -3.043 71 2HB LEU 10 1HB LEU 10 -5.183 -2.853 -3.580 72 HG LEU 10 HG LEU 10 -2.243 -2.129 -3.770 73 1HD1 LEU 10 1HD1 LEU 10 -3.087 -2.493 -1.447 74 2HD1 LEU 10 3HD1 LEU 10 -3.684 -4.074 -1.944 75 3HD1 LEU 10 2HD1 LEU 10 -1.952 -3.743 -1.957 76 1HD2 LEU 10 1HD2 LEU 10 -3.859 -4.583 -4.495 77 2HD2 LEU 10 3HD2 LEU 10 -2.743 -3.675 -5.517 78 3HD2 LEU 10 2HD2 LEU 10 -2.123 -4.666 -4.195 79 H ARG 11 H ARG 11 -6.837 -2.580 -5.131 80 HA ARG 11 HA ARG 11 -6.448 -4.984 -6.539 81 1HB ARG 11 2HB ARG 11 -8.480 -4.014 -5.078 82 2HB ARG 11 1HB ARG 11 -9.115 -3.673 -6.683 83 1HG ARG 11 2HG ARG 11 -9.806 -5.827 -6.720 84 2HG ARG 11 1HG ARG 11 -8.110 -6.255 -6.943 85 1HD ARG 11 2HD ARG 11 -7.810 -6.787 -4.695 86 2HD ARG 11 1HD ARG 11 -9.143 -5.765 -4.171 87 HE ARG 11 HE ARG 11 -10.564 -7.573 -4.475 88 1HH1 ARG 11 1HH2 ARG 11 -10.788 -8.575 -6.962 89 2HH1 ARG 11 2HH2 ARG 11 -9.765 -9.966 -7.101 90 1HH2 ARG 11 2HH1 ARG 11 -7.854 -9.166 -4.319 91 2HH2 ARG 11 1HH1 ARG 11 -8.104 -10.300 -5.604 92 H ARG 12 H ARG 12 -7.869 -1.905 -7.605 93 HA ARG 12 HA ARG 12 -8.464 -2.544 -10.236 94 1HB ARG 12 2HB ARG 12 -8.816 -0.335 -8.873 95 2HB ARG 12 1HB ARG 12 -7.285 0.136 -9.609 96 1HG ARG 12 2HG ARG 12 -8.715 -0.943 -11.742 97 2HG ARG 12 1HG ARG 12 -9.945 -0.076 -10.822 98 1HD ARG 12 2HD ARG 12 -8.366 1.908 -10.788 99 2HD ARG 12 1HD ARG 12 -7.359 1.033 -11.935 100 HE ARG 12 HE ARG 12 -10.074 2.062 -12.464 101 1HH1 ARG 12 2HH1 ARG 12 -10.137 0.010 -14.308 102 2HH1 ARG 12 1HH1 ARG 12 -9.134 0.481 -15.640 103 1HH2 ARG 12 1HH2 ARG 12 -7.461 2.937 -13.854 104 2HH2 ARG 12 2HH2 ARG 12 -7.619 2.138 -15.382 105 H ALA 13 H ALA 13 -5.342 -1.935 -8.804 106 HA ALA 13 HA ALA 13 -3.975 -1.496 -11.303 107 1HB ALA 13 3HB ALA 13 -2.953 -2.109 -8.523 108 2HB ALA 13 2HB ALA 13 -1.912 -1.762 -9.905 109 3HB ALA 13 1HB ALA 13 -3.023 -0.531 -9.306 110 H LEU 14 H LEU 14 -4.248 -4.204 -9.018 111 HA LEU 14 HA LEU 14 -2.598 -5.962 -10.566 112 1HB LEU 14 2HB LEU 14 -4.321 -6.213 -8.150 113 2HB LEU 14 1HB LEU 14 -3.908 -7.688 -9.025 114 HG LEU 14 HG LEU 14 -1.750 -5.700 -8.386 115 1HD1 LEU 14 1HD1 LEU 14 -3.216 -7.464 -6.477 116 2HD1 LEU 14 3HD1 LEU 14 -1.461 -7.385 -6.327 117 3HD1 LEU 14 2HD1 LEU 14 -2.424 -5.914 -6.192 118 1HD2 LEU 14 3HD2 LEU 14 -1.707 -7.972 -9.812 119 2HD2 LEU 14 2HD2 LEU 14 -0.336 -7.468 -8.823 120 3HD2 LEU 14 1HD2 LEU 14 -1.473 -8.667 -8.208 121 H VAL 15 H VAL 15 -5.841 -4.956 -10.924 122 HA VAL 15 HA VAL 15 -6.742 -7.411 -12.204 123 HB VAL 15 HB VAL 15 -8.130 -4.724 -12.000 124 1HG1 VAL 15 3HG1 VAL 15 -8.839 -6.523 -13.754 125 2HG1 VAL 15 2HG1 VAL 15 -9.431 -7.419 -12.356 126 3HG1 VAL 15 1HG1 VAL 15 -10.082 -5.821 -12.719 127 1HG2 VAL 15 1HG2 VAL 15 -7.451 -6.334 -9.888 128 2HG2 VAL 15 3HG2 VAL 15 -8.872 -5.291 -9.920 129 3HG2 VAL 15 2HG2 VAL 15 -9.021 -7.000 -10.330 130 H GLU 16 H GLU 16 -5.503 -4.257 -13.068 131 HA GLU 16 HA GLU 16 -6.317 -4.090 -15.739 132 1HB GLU 16 2HB GLU 16 -5.054 -2.357 -14.302 133 2HB GLU 16 1HB GLU 16 -3.593 -3.195 -14.828 134 1HG GLU 16 2HG GLU 16 -4.337 -2.889 -17.202 135 2HG GLU 16 1HG GLU 16 -5.684 -1.915 -16.610 136 H CYS 17 H CYS 17 -4.000 -6.194 -14.248 137 HA CYS 17 HA CYS 17 -2.262 -6.748 -16.361 138 1HB CYS 17 2HB CYS 17 -3.312 -8.562 -14.182 139 2HB CYS 17 1HB CYS 17 -2.001 -8.998 -15.278 140 HG CYS 17 HG CYS 17 -1.625 -6.360 -13.702 141 H ALA 18 H ALA 18 -4.882 -8.969 -15.392 142 HA ALA 18 HA ALA 18 -5.444 -9.421 -18.263 143 1HB ALA 18 3HB ALA 18 -4.959 -11.445 -16.091 144 2HB ALA 18 2HB ALA 18 -5.933 -11.846 -17.506 145 3HB ALA 18 1HB ALA 18 -4.249 -11.362 -17.703 146 H GLY 19 H GLY 19 -6.866 -7.658 -16.627 147 1HA GLY 19 2HA GLY 19 -9.016 -7.116 -15.992 148 2HA GLY 19 1HA GLY 19 -9.519 -8.394 -17.094 149 H GLU 20 H GLU 20 -10.660 -9.970 -16.210 150 HA GLU 20 HA GLU 20 -11.564 -11.420 -14.673 151 1HB GLU 20 2HB GLU 20 -8.777 -11.082 -13.587 152 2HB GLU 20 1HB GLU 20 -9.970 -12.075 -12.748 153 1HG GLU 20 2HG GLU 20 -10.321 -13.379 -14.832 154 2HG GLU 20 1HG GLU 20 -9.069 -12.420 -15.623 155 H THR 21 H THR 21 -12.323 -11.600 -12.409 156 HA THR 21 HA THR 21 -12.043 -9.573 -10.490 157 HB THR 21 HB THR 21 -13.101 -8.024 -11.981 158 HG1 THR 21 HG1 THR 21 -13.908 -7.895 -9.914 159 1HG2 THR 21 1HG2 THR 21 -14.050 -9.791 -13.498 160 2HG2 THR 21 3HG2 THR 21 -15.338 -10.038 -12.319 161 3HG2 THR 21 2HG2 THR 21 -15.179 -8.485 -13.136 162 H ASP 22 H ASP 22 -12.534 -10.643 -8.714 163 HA ASP 22 HA ASP 22 -14.603 -12.738 -8.828 164 1HB ASP 22 2HB ASP 22 -12.118 -13.007 -7.903 165 2HB ASP 22 1HB ASP 22 -12.866 -12.388 -6.431 166 H GLY 23 H GLY 23 -15.158 -9.825 -8.621 167 1HA GLY 23 2HA GLY 23 -17.180 -9.029 -7.544 168 2HA GLY 23 1HA GLY 23 -16.712 -9.933 -6.106 169 H THR 24 H THR 24 -14.115 -9.233 -5.758 170 HA THR 24 HA THR 24 -12.610 -7.560 -5.200 171 HB THR 24 HB THR 24 -14.691 -5.463 -5.817 172 HG1 THR 24 HG1 THR 24 -12.766 -6.692 -7.493 173 1HG2 THR 24 1HG2 THR 24 -12.568 -4.999 -4.446 174 2HG2 THR 24 3HG2 THR 24 -11.683 -5.293 -5.943 175 3HG2 THR 24 2HG2 THR 24 -12.851 -3.973 -5.853 176 H ASP 25 H ASP 25 -15.980 -6.834 -4.272 177 HA ASP 25 HA ASP 25 -15.087 -6.012 -1.617 178 1HB ASP 25 2HB ASP 25 -17.773 -6.045 -2.997 179 2HB ASP 25 1HB ASP 25 -17.607 -5.695 -1.275 180 H LEU 26 H LEU 26 -14.213 -8.205 -1.219 181 HA LEU 26 HA LEU 26 -16.120 -10.357 -0.821 182 1HB LEU 26 2HB LEU 26 -13.166 -10.161 -0.180 183 2HB LEU 26 1HB LEU 26 -14.142 -11.617 0.007 184 HG LEU 26 HG LEU 26 -14.781 -11.117 -2.515 185 1HD1 LEU 26 3HD1 LEU 26 -12.660 -9.209 -1.964 186 2HD1 LEU 26 2HD1 LEU 26 -12.161 -10.335 -3.226 187 3HD1 LEU 26 1HD1 LEU 26 -13.640 -9.396 -3.419 188 1HD2 LEU 26 1HD2 LEU 26 -12.281 -12.395 -1.407 189 2HD2 LEU 26 3HD2 LEU 26 -13.750 -13.177 -1.993 190 3HD2 LEU 26 2HD2 LEU 26 -12.629 -12.438 -3.136 191 H SER 27 H SER 27 -13.638 -9.127 1.423 192 HA SER 27 HA SER 27 -15.653 -8.685 3.490 193 1HB SER 27 2HB SER 27 -14.805 -11.159 3.498 194 2HB SER 27 1HB SER 27 -13.340 -10.468 4.192 195 HG SER 27 HG SER 27 -14.392 -10.389 5.999 196 H GLY 28 H GLY 28 -13.797 -7.022 2.002 197 1HA GLY 28 2HA GLY 28 -12.360 -5.264 2.384 198 2HA GLY 28 1HA GLY 28 -12.792 -5.415 4.084 199 H ASP 29 H ASP 29 -11.390 -8.093 2.339 200 HA ASP 29 HA ASP 29 -8.672 -7.540 3.166 201 1HB ASP 29 2HB ASP 29 -10.348 -9.607 4.582 202 2HB ASP 29 1HB ASP 29 -8.595 -9.758 4.474 203 H PHE 30 H PHE 30 -8.030 -7.889 1.076 204 HA PHE 30 HA PHE 30 -8.261 -10.672 0.112 205 1HB PHE 30 2HB PHE 30 -8.411 -9.724 -2.222 206 2HB PHE 30 1HB PHE 30 -9.834 -9.475 -1.217 207 HD1 PHE 30 HD1 PHE 30 -6.668 -7.787 -2.324 208 HD2 PHE 30 HD2 PHE 30 -10.666 -7.316 -0.818 209 HE1 PHE 30 HE1 PHE 30 -6.499 -5.340 -2.645 210 HE2 PHE 30 HE2 PHE 30 -10.492 -4.865 -1.137 211 HZ PHE 30 HZ PHE 30 -8.408 -3.878 -2.049 212 H LEU 31 H LEU 31 -6.104 -9.014 1.448 213 HA LEU 31 HA LEU 31 -4.071 -9.295 -0.668 214 1HB LEU 31 2HB LEU 31 -4.076 -7.392 1.689 215 2HB LEU 31 1HB LEU 31 -2.822 -7.513 0.454 216 HG LEU 31 HG LEU 31 -5.643 -7.111 -0.441 217 1HD1 LEU 31 1HD1 LEU 31 -4.012 -5.147 1.092 218 2HD1 LEU 31 3HD1 LEU 31 -4.886 -4.553 -0.321 219 3HD1 LEU 31 2HD1 LEU 31 -5.764 -5.326 0.997 220 1HD2 LEU 31 2HD2 LEU 31 -3.751 -7.467 -2.023 221 2HD2 LEU 31 1HD2 LEU 31 -4.527 -5.898 -2.240 222 3HD2 LEU 31 3HD2 LEU 31 -2.986 -6.009 -1.390 223 H ASP 32 H ASP 32 -2.730 -8.682 2.393 224 HA ASP 32 HA ASP 32 -1.276 -9.975 3.638 225 1HB ASP 32 2HB ASP 32 -3.968 -11.263 3.788 226 2HB ASP 32 1HB ASP 32 -2.597 -12.046 4.576 227 H LEU 33 H LEU 33 -1.314 -10.644 0.711 228 HA LEU 33 HA LEU 33 0.555 -12.230 0.036 229 1HB LEU 33 2HB LEU 33 -0.037 -14.626 0.024 230 2HB LEU 33 1HB LEU 33 0.063 -14.012 1.669 231 HG LEU 33 HG LEU 33 -2.577 -13.558 1.116 232 1HD1 LEU 33 2HD1 LEU 33 -1.586 -15.657 -0.725 233 2HD1 LEU 33 1HD1 LEU 33 -3.046 -16.073 0.171 234 3HD1 LEU 33 3HD1 LEU 33 -3.017 -14.636 -0.848 235 1HD2 LEU 33 2HD2 LEU 33 -1.014 -15.665 2.495 236 2HD2 LEU 33 1HD2 LEU 33 -2.331 -14.662 3.104 237 3HD2 LEU 33 3HD2 LEU 33 -2.687 -16.093 2.139 238 H ARG 34 H ARG 34 0.548 -12.536 -2.130 239 HA ARG 34 HA ARG 34 -1.632 -13.410 -3.678 240 1HB ARG 34 2HB ARG 34 -2.590 -11.194 -2.978 241 2HB ARG 34 1HB ARG 34 -1.257 -10.407 -3.819 242 1HG ARG 34 2HG ARG 34 -2.620 -10.462 -5.634 243 2HG ARG 34 1HG ARG 34 -2.176 -12.165 -5.734 244 1HD ARG 34 2HD ARG 34 -4.137 -12.430 -3.965 245 2HD ARG 34 1HD ARG 34 -4.682 -10.914 -4.675 246 HE ARG 34 HE ARG 34 -4.175 -12.547 -6.832 247 1HH1 ARG 34 1HH1 ARG 34 -6.734 -14.769 -5.033 248 2HH1 ARG 34 2HH1 ARG 34 -5.061 -14.589 -4.623 249 1HH2 ARG 34 1HH2 ARG 34 -6.807 -11.975 -7.085 250 2HH2 ARG 34 2HH2 ARG 34 -7.722 -13.290 -6.426 251 H PHE 35 H PHE 35 1.179 -11.268 -3.574 252 HA PHE 35 HA PHE 35 1.887 -11.439 -6.300 253 1HB PHE 35 2HB PHE 35 3.334 -10.732 -3.783 254 2HB PHE 35 1HB PHE 35 4.276 -11.021 -5.245 255 HD1 PHE 35 HD2 PHE 35 0.942 -9.417 -4.577 256 HD2 PHE 35 HD1 PHE 35 4.874 -9.011 -6.261 257 HE1 PHE 35 HE2 PHE 35 0.353 -7.158 -5.408 258 HE2 PHE 35 HE1 PHE 35 4.284 -6.751 -7.091 259 HZ PHE 35 HZ PHE 35 2.022 -5.826 -6.663 260 H GLU 36 H GLU 36 2.659 -13.475 -3.521 261 HA GLU 36 HA GLU 36 4.227 -15.261 -5.256 262 1HB GLU 36 2HB GLU 36 4.756 -14.402 -2.726 263 2HB GLU 36 1HB GLU 36 3.940 -15.927 -2.387 264 1HG GLU 36 2HG GLU 36 5.506 -16.919 -4.206 265 2HG GLU 36 1HG GLU 36 6.458 -15.453 -3.974 266 H ASP 37 H ASP 37 1.379 -15.085 -5.561 267 HA ASP 37 HA ASP 37 0.631 -17.832 -4.761 268 1HB ASP 37 2HB ASP 37 -0.588 -15.784 -3.633 269 2HB ASP 37 1HB ASP 37 -1.465 -15.734 -5.164 270 H ILE 38 H ILE 38 0.075 -15.185 -7.068 271 HA ILE 38 HA ILE 38 -1.134 -16.989 -9.002 272 HB ILE 38 HB ILE 38 -0.268 -14.151 -9.549 273 1HG1 ILE 38 2HG1 ILE 38 -2.899 -15.068 -8.336 274 2HG1 ILE 38 1HG1 ILE 38 -1.631 -14.218 -7.455 275 1HG2 ILE 38 1HG2 ILE 38 -1.003 -15.638 -11.423 276 2HG2 ILE 38 3HG2 ILE 38 -2.553 -15.841 -10.606 277 3HG2 ILE 38 2HG2 ILE 38 -2.065 -14.250 -11.188 278 1HD1 ILE 38 3HD1 ILE 38 -2.464 -12.923 -9.979 279 2HD1 ILE 38 2HD1 ILE 38 -3.701 -12.967 -8.723 280 3HD1 ILE 38 1HD1 ILE 38 -2.142 -12.209 -8.399 281 H GLY 39 H GLY 39 1.967 -15.483 -8.397 282 1HA GLY 39 2HA GLY 39 3.811 -16.966 -9.372 283 2HA GLY 39 1HA GLY 39 3.019 -16.636 -10.907 284 H TYR 40 H TYR 40 2.591 -13.833 -9.261 285 HA TYR 40 HA TYR 40 4.410 -12.341 -10.790 286 1HB TYR 40 2HB TYR 40 2.913 -11.712 -8.245 287 2HB TYR 40 1HB TYR 40 3.950 -10.531 -9.044 288 HD1 TYR 40 HD2 TYR 40 0.865 -12.535 -9.329 289 HD2 TYR 40 HD1 TYR 40 3.353 -9.569 -11.197 290 HE1 TYR 40 HE2 TYR 40 -0.959 -12.011 -10.925 291 HE2 TYR 40 HE1 TYR 40 1.527 -9.047 -12.793 292 HH TYR 40 HH TYR 40 -1.467 -9.613 -12.413 293 H ASP 41 H ASP 41 6.556 -12.421 -10.675 294 HA ASP 41 HA ASP 41 7.818 -12.938 -8.064 295 1HB ASP 41 2HB ASP 41 9.854 -13.476 -9.354 296 2HB ASP 41 1HB ASP 41 8.487 -14.475 -9.840 297 H SER 42 H SER 42 8.057 -10.784 -10.894 298 HA SER 42 HA SER 42 8.362 -8.398 -9.559 299 1HB SER 42 2HB SER 42 10.901 -9.943 -9.619 300 2HB SER 42 1HB SER 42 11.012 -8.239 -10.050 301 HG SER 42 HG SER 42 10.825 -9.290 -7.647 302 H LEU 43 H LEU 43 9.566 -10.351 -12.236 303 HA LEU 43 HA LEU 43 10.111 -8.147 -13.970 304 1HB LEU 43 2HB LEU 43 10.711 -10.813 -14.033 305 2HB LEU 43 1HB LEU 43 9.437 -10.722 -15.245 306 HG LEU 43 HG LEU 43 11.635 -10.367 -16.285 307 1HD1 LEU 43 2HD1 LEU 43 9.585 -9.099 -17.072 308 2HD1 LEU 43 1HD1 LEU 43 10.175 -7.718 -16.148 309 3HD1 LEU 43 3HD1 LEU 43 11.128 -8.351 -17.490 310 1HD2 LEU 43 2HD2 LEU 43 12.421 -9.237 -13.989 311 2HD2 LEU 43 1HD2 LEU 43 13.209 -8.861 -15.522 312 3HD2 LEU 43 3HD2 LEU 43 11.994 -7.765 -14.862 313 H ALA 44 H ALA 44 7.211 -9.855 -13.127 314 HA ALA 44 HA ALA 44 5.786 -8.948 -15.506 315 1HB ALA 44 3HB ALA 44 5.463 -11.184 -14.117 316 2HB ALA 44 2HB ALA 44 4.373 -10.164 -13.178 317 3HB ALA 44 1HB ALA 44 4.099 -10.391 -14.906 318 H LEU 45 H LEU 45 5.294 -8.614 -11.985 319 HA LEU 45 HA LEU 45 3.345 -6.598 -12.154 320 1HB LEU 45 2HB LEU 45 3.933 -6.125 -9.770 321 2HB LEU 45 1HB LEU 45 3.619 -7.826 -10.104 322 HG LEU 45 HG LEU 45 6.327 -7.643 -10.595 323 1HD1 LEU 45 1HD1 LEU 45 5.898 -5.251 -9.472 324 2HD1 LEU 45 3HD1 LEU 45 6.055 -6.207 -7.997 325 3HD1 LEU 45 2HD1 LEU 45 7.373 -6.172 -9.169 326 1HD2 LEU 45 3HD2 LEU 45 4.564 -8.661 -8.466 327 2HD2 LEU 45 2HD2 LEU 45 5.918 -9.448 -9.273 328 3HD2 LEU 45 1HD2 LEU 45 6.215 -8.356 -7.922 329 H MET 46 H MET 46 6.864 -6.398 -12.063 330 HA MET 46 HA MET 46 6.947 -3.555 -11.674 331 1HB MET 46 2HB MET 46 8.825 -5.200 -11.164 332 2HB MET 46 1HB MET 46 9.138 -5.228 -12.899 333 1HG MET 46 2HG MET 46 10.542 -3.497 -12.302 334 2HG MET 46 1HG MET 46 9.066 -2.577 -12.579 335 1HE MET 46 1HE MET 46 9.731 -0.644 -11.291 336 2HE MET 46 3HE MET 46 10.264 -0.594 -9.606 337 3HE MET 46 2HE MET 46 11.310 -1.284 -10.844 338 H GLU 47 H GLU 47 6.513 -5.611 -14.439 339 HA GLU 47 HA GLU 47 7.412 -3.714 -16.399 340 1HB GLU 47 2HB GLU 47 7.178 -6.257 -16.690 341 2HB GLU 47 1HB GLU 47 5.456 -5.948 -16.917 342 1HG GLU 47 2HG GLU 47 6.513 -5.961 -19.099 343 2HG GLU 47 1HG GLU 47 6.058 -4.301 -18.718 344 H THR 48 H THR 48 4.151 -4.972 -15.688 345 HA THR 48 HA THR 48 2.732 -3.052 -17.157 346 HB THR 48 HB THR 48 1.735 -4.398 -14.643 347 HG1 THR 48 HG1 THR 48 1.890 -5.346 -17.310 348 1HG2 THR 48 3HG2 THR 48 0.520 -3.029 -17.006 349 2HG2 THR 48 2HG2 THR 48 -0.350 -4.381 -16.282 350 3HG2 THR 48 1HG2 THR 48 0.046 -2.965 -15.308 351 H ALA 49 H ALA 49 3.568 -3.113 -13.702 352 HA ALA 49 HA ALA 49 2.280 -0.707 -12.991 353 1HB ALA 49 2HB ALA 49 3.083 -2.321 -11.318 354 2HB ALA 49 1HB ALA 49 4.750 -1.962 -11.769 355 3HB ALA 49 3HB ALA 49 3.751 -0.716 -11.019 356 H ALA 50 H ALA 50 5.567 -1.373 -14.128 357 HA ALA 50 HA ALA 50 6.743 1.121 -13.792 358 1HB ALA 50 2HB ALA 50 7.133 -1.046 -15.833 359 2HB ALA 50 1HB ALA 50 8.026 0.469 -15.961 360 3HB ALA 50 3HB ALA 50 8.206 -0.543 -14.528 361 H ARG 51 H ARG 51 4.778 -0.050 -16.508 362 HA ARG 51 HA ARG 51 4.996 2.313 -18.071 363 1HB ARG 51 2HB ARG 51 4.086 -0.095 -18.676 364 2HB ARG 51 1HB ARG 51 2.541 0.609 -18.195 365 1HG ARG 51 2HG ARG 51 3.386 2.614 -19.737 366 2HG ARG 51 1HG ARG 51 4.313 1.319 -20.495 367 1HD ARG 51 2HD ARG 51 1.435 0.792 -19.925 368 2HD ARG 51 1HD ARG 51 1.808 1.892 -21.247 369 HE ARG 51 HE ARG 51 3.140 -0.734 -21.200 370 1HH1 ARG 51 2HH1 ARG 51 2.990 1.238 -23.563 371 2HH1 ARG 51 1HH1 ARG 51 1.832 0.448 -24.580 372 1HH2 ARG 51 1HH2 ARG 51 0.692 -1.671 -22.084 373 2HH2 ARG 51 2HH2 ARG 51 0.529 -1.198 -23.742 374 H LEU 52 H LEU 52 2.672 1.204 -15.647 375 HA LEU 52 HA LEU 52 1.131 3.675 -15.886 376 1HB LEU 52 2HB LEU 52 0.237 1.229 -15.444 377 2HB LEU 52 1HB LEU 52 0.585 1.646 -13.765 378 HG LEU 52 HG LEU 52 -0.671 3.909 -14.517 379 1HD1 LEU 52 3HD1 LEU 52 -1.527 1.743 -16.404 380 2HD1 LEU 52 2HD1 LEU 52 -2.737 2.888 -15.825 381 3HD1 LEU 52 1HD1 LEU 52 -1.322 3.468 -16.703 382 1HD2 LEU 52 1HD2 LEU 52 -1.166 1.988 -12.739 383 2HD2 LEU 52 3HD2 LEU 52 -2.400 3.177 -13.157 384 3HD2 LEU 52 2HD2 LEU 52 -2.437 1.573 -13.889 385 H GLU 53 H GLU 53 3.996 3.277 -14.600 386 HA GLU 53 HA GLU 53 3.466 4.286 -11.910 387 1HB GLU 53 2HB GLU 53 5.324 2.599 -12.552 388 2HB GLU 53 1HB GLU 53 6.195 4.014 -13.141 389 1HG GLU 53 2HG GLU 53 6.138 5.049 -10.965 390 2HG GLU 53 1HG GLU 53 5.039 3.815 -10.349 391 H SER 54 H SER 54 2.986 5.871 -14.522 392 HA SER 54 HA SER 54 4.836 8.104 -14.102 393 1HB SER 54 2HB SER 54 2.692 7.702 -16.200 394 2HB SER 54 1HB SER 54 3.820 9.052 -16.134 395 HG SER 54 HG SER 54 4.276 6.339 -16.704 396 H ARG 55 H ARG 55 1.414 7.268 -13.899 397 HA ARG 55 HA ARG 55 0.414 9.847 -13.337 398 1HB ARG 55 2HB ARG 55 -1.538 8.682 -12.370 399 2HB ARG 55 1HB ARG 55 -1.077 7.997 -13.928 400 1HG ARG 55 2HG ARG 55 0.211 6.225 -12.711 401 2HG ARG 55 1HG ARG 55 -0.412 6.870 -11.192 402 1HD ARG 55 2HD ARG 55 -2.083 5.799 -13.481 403 2HD ARG 55 1HD ARG 55 -1.782 4.977 -11.954 404 HE ARG 55 HE ARG 55 -3.618 7.183 -12.404 405 1HH1 ARG 55 2HH1 ARG 55 -1.789 7.773 -10.002 406 2HH1 ARG 55 1HH1 ARG 55 -2.739 7.142 -8.698 407 1HH2 ARG 55 1HH2 ARG 55 -4.843 5.316 -10.760 408 2HH2 ARG 55 2HH2 ARG 55 -4.467 5.752 -9.126 409 H TYR 56 H TYR 56 1.736 7.315 -11.270 410 HA TYR 56 HA TYR 56 1.130 8.552 -8.783 411 1HB TYR 56 2HB TYR 56 3.348 6.610 -9.481 412 2HB TYR 56 1HB TYR 56 2.829 7.025 -7.847 413 HD1 TYR 56 HD2 TYR 56 0.637 6.311 -6.996 414 HD2 TYR 56 HD1 TYR 56 1.971 5.225 -10.932 415 HE1 TYR 56 HE2 TYR 56 -1.157 4.603 -7.132 416 HE2 TYR 56 HE1 TYR 56 0.178 3.517 -11.068 417 HH TYR 56 HH TYR 56 -1.211 2.182 -9.502 418 H GLY 57 H GLY 57 4.046 8.509 -10.811 419 1HA GLY 57 2HA GLY 57 5.641 10.173 -11.106 420 2HA GLY 57 1HA GLY 57 4.773 11.169 -9.945 421 H VAL 58 H VAL 58 5.643 7.911 -9.064 422 HA VAL 58 HA VAL 58 7.634 9.010 -7.197 423 HB VAL 58 HB VAL 58 5.711 7.923 -6.133 424 1HG1 VAL 58 1HG1 VAL 58 6.323 5.839 -8.148 425 2HG1 VAL 58 3HG1 VAL 58 5.902 5.241 -6.543 426 3HG1 VAL 58 2HG1 VAL 58 4.782 6.284 -7.417 427 1HG2 VAL 58 3HG2 VAL 58 8.020 7.731 -5.163 428 2HG2 VAL 58 2HG2 VAL 58 6.936 6.419 -4.697 429 3HG2 VAL 58 1HG2 VAL 58 8.157 6.154 -5.942 430 H SER 59 H SER 59 9.500 7.673 -6.738 431 HA SER 59 HA SER 59 10.236 5.480 -8.416 432 1HB SER 59 2HB SER 59 11.870 6.494 -9.822 433 2HB SER 59 1HB SER 59 10.410 7.463 -9.998 434 HG SER 59 HG SER 59 11.593 9.068 -9.360 435 H ILE 60 H ILE 60 10.239 6.266 -5.601 436 HA ILE 60 HA ILE 60 13.069 6.511 -4.934 437 HB ILE 60 HB ILE 60 10.785 6.203 -2.982 438 1HG1 ILE 60 2HG1 ILE 60 12.007 8.770 -4.040 439 2HG1 ILE 60 1HG1 ILE 60 10.444 8.138 -4.560 440 1HG2 ILE 60 3HG2 ILE 60 13.604 7.294 -2.810 441 2HG2 ILE 60 2HG2 ILE 60 12.410 7.430 -1.521 442 3HG2 ILE 60 1HG2 ILE 60 12.984 5.841 -2.026 443 1HD1 ILE 60 3HD1 ILE 60 10.929 8.418 -1.624 444 2HD1 ILE 60 2HD1 ILE 60 10.627 9.885 -2.554 445 3HD1 ILE 60 1HD1 ILE 60 9.429 8.592 -2.534 446 HA PRO 61 HA PRO 61 12.261 2.169 -3.161 447 1HB PRO 61 2HB PRO 61 9.964 0.848 -3.820 448 2HB PRO 61 1HB PRO 61 10.119 1.907 -2.410 449 1HG PRO 61 2HG PRO 61 8.706 2.378 -4.965 450 2HG PRO 61 1HG PRO 61 8.412 3.080 -3.369 451 1HD PRO 61 2HD PRO 61 9.759 4.319 -5.542 452 2HD PRO 61 1HD PRO 61 9.658 4.916 -3.871 453 H ASP 62 H ASP 62 13.900 1.597 -4.618 454 HA ASP 62 HA ASP 62 13.096 0.473 -7.219 455 1HB ASP 62 2HB ASP 62 15.736 1.391 -6.089 456 2HB ASP 62 1HB ASP 62 15.648 0.397 -7.545 457 H ASP 63 H ASP 63 14.826 -0.324 -4.239 458 HA ASP 63 HA ASP 63 15.276 -3.068 -5.101 459 1HB ASP 63 2HB ASP 63 15.836 -1.685 -2.466 460 2HB ASP 63 1HB ASP 63 16.304 -3.340 -2.859 461 H VAL 64 H VAL 64 13.419 -1.398 -2.555 462 HA VAL 64 HA VAL 64 12.206 -3.700 -1.475 463 HB VAL 64 HB VAL 64 12.206 -1.501 -0.342 464 1HG1 VAL 64 2HG1 VAL 64 11.669 -0.255 -2.533 465 2HG1 VAL 64 1HG1 VAL 64 9.986 -0.676 -2.211 466 3HG1 VAL 64 3HG1 VAL 64 10.881 0.321 -1.063 467 1HG2 VAL 64 1HG2 VAL 64 10.471 -3.346 0.087 468 2HG2 VAL 64 3HG2 VAL 64 10.050 -1.727 0.643 469 3HG2 VAL 64 2HG2 VAL 64 9.351 -2.356 -0.849 470 H ALA 65 H ALA 65 11.151 -1.487 -4.034 471 HA ALA 65 HA ALA 65 8.711 -2.959 -4.531 472 1HB ALA 65 3HB ALA 65 8.929 -0.497 -4.956 473 2HB ALA 65 2HB ALA 65 10.035 -0.869 -6.278 474 3HB ALA 65 1HB ALA 65 8.358 -1.408 -6.354 475 H GLY 66 H GLY 66 11.970 -2.839 -5.809 476 1HA GLY 66 2HA GLY 66 11.565 -4.208 -8.237 477 2HA GLY 66 1HA GLY 66 13.079 -4.153 -7.339 478 H ARG 67 H ARG 67 11.696 -5.331 -4.935 479 HA ARG 67 HA ARG 67 11.266 -8.081 -5.911 480 1HB ARG 67 2HB ARG 67 13.267 -7.134 -3.884 481 2HB ARG 67 1HB ARG 67 12.569 -8.748 -3.745 482 1HG ARG 67 2HG ARG 67 13.275 -9.242 -6.068 483 2HG ARG 67 1HG ARG 67 14.008 -7.641 -6.176 484 1HD ARG 67 2HD ARG 67 15.631 -8.157 -4.515 485 2HD ARG 67 1HD ARG 67 14.761 -9.601 -4.006 486 HE ARG 67 HE ARG 67 15.976 -9.427 -6.700 487 1HH1 ARG 67 2HH1 ARG 67 14.572 -11.940 -5.902 488 2HH1 ARG 67 1HH1 ARG 67 15.866 -12.934 -5.321 489 1HH2 ARG 67 1HH2 ARG 67 18.086 -10.295 -4.960 490 2HH2 ARG 67 2HH2 ARG 67 17.855 -12.002 -4.788 491 H VAL 68 H VAL 68 9.082 -6.824 -5.440 492 HA VAL 68 HA VAL 68 8.300 -6.816 -2.649 493 HB VAL 68 HB VAL 68 7.358 -5.164 -4.223 494 1HG1 VAL 68 3HG1 VAL 68 6.142 -7.611 -5.538 495 2HG1 VAL 68 2HG1 VAL 68 5.670 -5.949 -5.892 496 3HG1 VAL 68 1HG1 VAL 68 7.306 -6.496 -6.256 497 1HG2 VAL 68 2HG2 VAL 68 6.008 -6.553 -2.262 498 2HG2 VAL 68 1HG2 VAL 68 5.393 -5.118 -3.083 499 3HG2 VAL 68 3HG2 VAL 68 4.922 -6.724 -3.642 500 H ASP 69 H ASP 69 7.212 -8.373 -1.570 501 HA ASP 69 HA ASP 69 6.607 -10.856 -3.063 502 1HB ASP 69 2HB ASP 69 7.696 -10.362 -0.317 503 2HB ASP 69 1HB ASP 69 6.776 -11.834 -0.635 504 H THR 70 H THR 70 5.323 -8.415 -0.938 505 HA THR 70 HA THR 70 2.828 -9.978 -0.668 506 HB THR 70 HB THR 70 2.446 -7.939 1.051 507 HG1 THR 70 HG1 THR 70 5.229 -8.465 1.117 508 1HG2 THR 70 3HG2 THR 70 3.954 -10.526 1.486 509 2HG2 THR 70 2HG2 THR 70 3.394 -9.504 2.810 510 3HG2 THR 70 1HG2 THR 70 2.229 -10.236 1.708 511 HA PRO 71 HA PRO 71 0.831 -6.977 -3.232 512 1HB PRO 71 2HB PRO 71 -1.758 -7.340 -2.448 513 2HB PRO 71 1HB PRO 71 -0.866 -8.494 -3.447 514 1HG PRO 71 2HG PRO 71 -1.645 -8.689 -0.603 515 2HG PRO 71 1HG PRO 71 -1.302 -9.973 -1.765 516 1HD PRO 71 2HD PRO 71 0.439 -9.010 0.269 517 2HD PRO 71 1HD PRO 71 0.850 -10.150 -1.034 518 H ARG 72 H ARG 72 -0.755 -6.934 -0.022 519 HA ARG 72 HA ARG 72 -1.537 -4.239 -0.059 520 1HB ARG 72 2HB ARG 72 -2.278 -5.988 1.604 521 2HB ARG 72 1HB ARG 72 -0.732 -5.769 2.421 522 1HG ARG 72 2HG ARG 72 -1.259 -3.312 2.595 523 2HG ARG 72 1HG ARG 72 -2.870 -3.670 1.972 524 1HD ARG 72 2HD ARG 72 -2.737 -5.512 3.940 525 2HD ARG 72 1HD ARG 72 -1.685 -4.280 4.628 526 HE ARG 72 HE ARG 72 -3.620 -2.709 4.316 527 1HH1 ARG 72 1HH2 ARG 72 -4.718 -5.655 3.234 528 2HH1 ARG 72 2HH2 ARG 72 -6.070 -5.779 4.308 529 1HH2 ARG 72 2HH1 ARG 72 -5.107 -3.072 6.252 530 2HH2 ARG 72 1HH1 ARG 72 -6.291 -4.315 6.019 531 H GLU 73 H GLU 73 1.563 -5.695 0.638 532 HA GLU 73 HA GLU 73 2.737 -3.531 2.040 533 1HB GLU 73 2HB GLU 73 3.691 -5.853 1.910 534 2HB GLU 73 1HB GLU 73 4.168 -5.505 0.248 535 1HG GLU 73 2HG GLU 73 6.108 -4.914 1.391 536 2HG GLU 73 1HG GLU 73 5.269 -3.364 1.333 537 H LEU 74 H LEU 74 2.475 -4.290 -1.399 538 HA LEU 74 HA LEU 74 4.210 -2.275 -2.354 539 1HB LEU 74 2HB LEU 74 2.991 -4.268 -3.594 540 2HB LEU 74 1HB LEU 74 1.773 -3.033 -3.913 541 HG LEU 74 HG LEU 74 3.939 -1.607 -4.566 542 1HD1 LEU 74 2HD1 LEU 74 4.723 -4.509 -4.859 543 2HD1 LEU 74 1HD1 LEU 74 5.429 -3.258 -5.881 544 3HD1 LEU 74 3HD1 LEU 74 5.646 -3.194 -4.132 545 1HD2 LEU 74 3HD2 LEU 74 2.344 -3.597 -6.170 546 2HD2 LEU 74 2HD2 LEU 74 2.245 -1.836 -6.180 547 3HD2 LEU 74 1HD2 LEU 74 3.612 -2.648 -6.945 548 H LEU 75 H LEU 75 0.874 -2.235 -1.297 549 HA LEU 75 HA LEU 75 0.201 0.323 -2.378 550 1HB LEU 75 2HB LEU 75 -1.530 -1.300 -1.781 551 2HB LEU 75 1HB LEU 75 -1.032 -1.247 -0.095 552 HG LEU 75 HG LEU 75 -1.495 1.397 -0.513 553 1HD1 LEU 75 2HD1 LEU 75 -2.305 0.510 -2.900 554 2HD1 LEU 75 1HD1 LEU 75 -3.794 0.224 -2.000 555 3HD1 LEU 75 3HD1 LEU 75 -3.113 1.848 -2.083 556 1HD2 LEU 75 3HD2 LEU 75 -3.533 -0.746 0.150 557 2HD2 LEU 75 2HD2 LEU 75 -2.462 0.067 1.291 558 3HD2 LEU 75 1HD2 LEU 75 -3.745 0.971 0.485 559 H ASP 76 H ASP 76 1.137 -0.737 0.912 560 HA ASP 76 HA ASP 76 1.090 1.897 1.976 561 1HB ASP 76 2HB ASP 76 2.296 0.964 3.891 562 2HB ASP 76 1HB ASP 76 0.957 -0.073 3.421 563 H LEU 77 H LEU 77 3.405 0.206 0.102 564 HA LEU 77 HA LEU 77 5.718 1.695 0.872 565 1HB LEU 77 2HB LEU 77 5.383 -0.609 -0.481 566 2HB LEU 77 1HB LEU 77 5.599 0.491 -1.839 567 HG LEU 77 HG LEU 77 7.758 -0.404 -1.157 568 1HD1 LEU 77 2HD1 LEU 77 7.635 1.961 -1.924 569 2HD1 LEU 77 1HD1 LEU 77 7.490 2.473 -0.243 570 3HD1 LEU 77 3HD1 LEU 77 8.966 1.686 -0.802 571 1HD2 LEU 77 1HD2 LEU 77 6.808 -0.589 1.326 572 2HD2 LEU 77 3HD2 LEU 77 8.539 -0.450 1.020 573 3HD2 LEU 77 2HD2 LEU 77 7.610 0.973 1.492 574 H ILE 78 H ILE 78 4.056 1.646 -2.288 575 HA ILE 78 HA ILE 78 5.230 4.048 -3.210 576 HB ILE 78 HB ILE 78 2.600 2.826 -4.091 577 1HG1 ILE 78 2HG1 ILE 78 5.213 2.424 -5.506 578 2HG1 ILE 78 1HG1 ILE 78 4.876 1.450 -4.076 579 1HG2 ILE 78 1HG2 ILE 78 4.451 4.917 -5.212 580 2HG2 ILE 78 3HG2 ILE 78 3.495 3.916 -6.303 581 3HG2 ILE 78 2HG2 ILE 78 2.692 4.935 -5.108 582 1HD1 ILE 78 3HD1 ILE 78 2.585 0.974 -5.197 583 2HD1 ILE 78 2HD1 ILE 78 3.351 1.562 -6.674 584 3HD1 ILE 78 1HD1 ILE 78 4.005 0.151 -5.842 585 H ASN 79 H ASN 79 2.106 3.415 -1.678 586 HA ASN 79 HA ASN 79 0.995 5.980 -1.879 587 1HB ASN 79 2HB ASN 79 -0.135 3.823 -1.126 588 2HB ASN 79 1HB ASN 79 0.577 4.119 0.459 589 1HD2 ASN 79 2HD2 ASN 79 -2.812 5.657 0.418 590 2HD2 ASN 79 1HD2 ASN 79 -2.202 4.084 0.235 591 H GLY 80 H GLY 80 3.375 4.662 0.318 592 1HA GLY 80 2HA GLY 80 3.236 6.901 2.158 593 2HA GLY 80 1HA GLY 80 4.390 5.572 2.210 594 H ALA 81 H ALA 81 5.077 5.978 -0.666 595 HA ALA 81 HA ALA 81 7.298 7.704 -0.307 596 1HB ALA 81 1HB ALA 81 6.045 6.444 -2.742 597 2HB ALA 81 3HB ALA 81 7.444 7.511 -2.861 598 3HB ALA 81 2HB ALA 81 7.554 6.011 -1.939 599 H LEU 82 H LEU 82 4.392 8.073 -2.344 600 HA LEU 82 HA LEU 82 4.904 10.725 -3.139 601 1HB LEU 82 2HB LEU 82 2.262 9.277 -2.850 602 2HB LEU 82 1HB LEU 82 2.487 10.808 -3.696 603 HG LEU 82 HG LEU 82 4.241 8.499 -4.441 604 1HD1 LEU 82 2HD1 LEU 82 1.768 7.763 -4.315 605 2HD1 LEU 82 1HD1 LEU 82 1.505 8.868 -5.663 606 3HD1 LEU 82 3HD1 LEU 82 2.609 7.505 -5.844 607 1HD2 LEU 82 1HD2 LEU 82 4.402 10.893 -5.343 608 2HD2 LEU 82 3HD2 LEU 82 4.295 9.615 -6.553 609 3HD2 LEU 82 2HD2 LEU 82 2.872 10.580 -6.161 610 H ALA 83 H ALA 83 3.332 9.378 -0.303 611 HA ALA 83 HA ALA 83 2.149 11.765 0.666 612 1HB ALA 83 3HB ALA 83 2.992 9.182 1.958 613 2HB ALA 83 2HB ALA 83 2.408 10.528 2.936 614 3HB ALA 83 1HB ALA 83 1.366 9.815 1.705 615 H GLU 84 H GLU 84 5.375 10.414 0.891 616 HA GLU 84 HA GLU 84 6.216 12.673 2.597 617 1HB GLU 84 2HB GLU 84 7.493 9.994 2.027 618 2HB GLU 84 1HB GLU 84 8.322 11.297 2.880 619 1HG GLU 84 2HG GLU 84 5.600 10.353 3.767 620 2HG GLU 84 1HG GLU 84 7.065 9.529 4.303 621 H ALA 85 H ALA 85 5.657 12.926 -0.243 622 HA ALA 85 HA ALA 85 8.369 13.430 -1.311 623 1HB ALA 85 1HB ALA 85 5.733 13.091 -2.760 624 2HB ALA 85 3HB ALA 85 7.263 13.499 -3.537 625 3HB ALA 85 2HB ALA 85 7.070 11.940 -2.733 626 H ALA 86 HN ALA 86 5.094 14.796 -1.097 627 HA ALA 86 HA ALA 86 6.131 17.443 -1.822 628 1HB ALA 86 1HB ALA 86 3.884 16.352 -2.653 629 2HB ALA 86 3HB ALA 86 3.266 16.935 -1.107 630 3HB ALA 86 2HB ALA 86 3.944 18.073 -2.271 No H/Q in entry = 630 Start of MODEL 20 1 1H MET 1 2H MET 1 0.169 18.554 -4.710 2 2H MET 1 1H MET 1 -0.901 19.873 -4.762 3 3H MET 1 3H MET 1 0.131 19.672 -3.432 4 HA MET 1 HA MET 1 -1.062 17.907 -2.572 5 1HB MET 1 2HB MET 1 -2.288 20.193 -2.692 6 2HB MET 1 1HB MET 1 -3.283 19.427 -3.931 7 1HG MET 1 2HG MET 1 -4.512 18.896 -2.039 8 2HG MET 1 1HG MET 1 -3.449 17.491 -2.126 9 1HE MET 1 2HE MET 1 -3.609 16.769 0.147 10 2HE MET 1 1HE MET 1 -1.902 16.754 -0.287 11 3HE MET 1 3HE MET 1 -2.405 17.301 1.318 12 H ALA 2 H ALA 2 -1.875 15.915 -2.921 13 HA ALA 2 HA ALA 2 -3.026 15.288 -5.564 14 1HB ALA 2 2HB ALA 2 -0.630 14.045 -4.280 15 2HB ALA 2 1HB ALA 2 -1.718 13.014 -5.208 16 3HB ALA 2 3HB ALA 2 -0.937 14.394 -5.981 17 H THR 3 H THR 3 -3.969 12.997 -5.514 18 HA THR 3 HA THR 3 -5.745 12.848 -3.226 19 HB THR 3 HB THR 3 -5.671 10.761 -5.374 20 HG1 THR 3 HG1 THR 3 -6.825 13.333 -5.649 21 1HG2 THR 3 2HG2 THR 3 -7.641 12.005 -3.504 22 2HG2 THR 3 1HG2 THR 3 -8.237 11.375 -5.040 23 3HG2 THR 3 3HG2 THR 3 -7.402 10.306 -3.912 24 H LEU 4 H LEU 4 -6.054 10.948 -1.952 25 HA LEU 4 HA LEU 4 -3.531 9.614 -1.330 26 1HB LEU 4 2HB LEU 4 -6.185 9.878 0.055 27 2HB LEU 4 1HB LEU 4 -5.072 8.600 0.530 28 HG LEU 4 HG LEU 4 -4.763 10.625 1.916 29 1HD1 LEU 4 3HD1 LEU 4 -2.833 9.077 1.111 30 2HD1 LEU 4 2HD1 LEU 4 -2.367 10.445 0.101 31 3HD1 LEU 4 1HD1 LEU 4 -2.416 10.620 1.855 32 1HD2 LEU 4 1HD2 LEU 4 -5.378 12.086 -0.227 33 2HD2 LEU 4 3HD2 LEU 4 -4.349 12.732 1.052 34 3HD2 LEU 4 2HD2 LEU 4 -3.626 12.099 -0.427 35 H LEU 5 H LEU 5 -3.343 7.333 -1.140 36 HA LEU 5 HA LEU 5 -5.108 5.881 -3.006 37 1HB LEU 5 2HB LEU 5 -2.280 5.961 -2.706 38 2HB LEU 5 1HB LEU 5 -2.795 4.348 -2.221 39 HG LEU 5 HG LEU 5 -4.110 4.183 -4.346 40 1HD1 LEU 5 3HD1 LEU 5 -2.697 6.800 -4.944 41 2HD1 LEU 5 2HD1 LEU 5 -3.594 5.847 -6.125 42 3HD1 LEU 5 1HD1 LEU 5 -4.436 6.574 -4.756 43 1HD2 LEU 5 2HD2 LEU 5 -1.712 3.374 -4.076 44 2HD2 LEU 5 1HD2 LEU 5 -2.206 3.709 -5.736 45 3HD2 LEU 5 3HD2 LEU 5 -1.204 4.869 -4.864 46 H THR 6 H THR 6 -6.016 3.902 -2.426 47 HA THR 6 HA THR 6 -5.800 3.158 0.426 48 HB THR 6 HB THR 6 -7.890 4.392 0.160 49 HG1 THR 6 HG1 THR 6 -9.091 2.897 1.126 50 1HG2 THR 6 2HG2 THR 6 -7.998 3.784 -2.359 51 2HG2 THR 6 1HG2 THR 6 -8.815 2.319 -1.817 52 3HG2 THR 6 3HG2 THR 6 -9.515 3.898 -1.468 53 H THR 7 H THR 7 -6.767 0.939 0.812 54 HA THR 7 HA THR 7 -5.426 -1.019 -0.657 55 HB THR 7 HB THR 7 -7.973 -1.391 0.938 56 HG1 THR 7 HG1 THR 7 -5.275 -1.533 1.787 57 1HG2 THR 7 3HG2 THR 7 -5.927 -3.196 -0.239 58 2HG2 THR 7 2HG2 THR 7 -6.506 -3.595 1.378 59 3HG2 THR 7 1HG2 THR 7 -7.646 -3.470 0.038 60 H ASP 8 H ASP 8 -8.713 0.218 -0.959 61 HA ASP 8 HA ASP 8 -9.736 -1.610 -2.828 62 1HB ASP 8 2HB ASP 8 -10.345 1.353 -2.656 63 2HB ASP 8 1HB ASP 8 -11.353 0.119 -3.413 64 H ASP 9 H ASP 9 -7.823 1.330 -3.236 65 HA ASP 9 HA ASP 9 -7.873 1.386 -6.080 66 1HB ASP 9 2HB ASP 9 -7.094 3.230 -4.404 67 2HB ASP 9 1HB ASP 9 -5.541 2.396 -4.469 68 H LEU 10 H LEU 10 -5.915 -0.264 -3.682 69 HA LEU 10 HA LEU 10 -3.728 -1.112 -5.187 70 1HB LEU 10 2HB LEU 10 -4.439 -1.527 -2.655 71 2HB LEU 10 1HB LEU 10 -5.023 -3.050 -3.316 72 HG LEU 10 HG LEU 10 -2.190 -1.974 -3.505 73 1HD1 LEU 10 1HD1 LEU 10 -2.969 -2.959 -1.312 74 2HD1 LEU 10 3HD1 LEU 10 -3.262 -4.474 -2.168 75 3HD1 LEU 10 2HD1 LEU 10 -1.625 -3.823 -2.058 76 1HD2 LEU 10 3HD2 LEU 10 -3.442 -4.503 -4.634 77 2HD2 LEU 10 2HD2 LEU 10 -2.717 -3.187 -5.557 78 3HD2 LEU 10 1HD2 LEU 10 -1.704 -4.213 -4.542 79 H ARG 11 H ARG 11 -6.719 -2.950 -4.555 80 HA ARG 11 HA ARG 11 -6.196 -5.055 -6.339 81 1HB ARG 11 2HB ARG 11 -8.138 -4.585 -4.525 82 2HB ARG 11 1HB ARG 11 -9.030 -4.243 -6.006 83 1HG ARG 11 2HG ARG 11 -7.788 -6.515 -6.765 84 2HG ARG 11 1HG ARG 11 -7.899 -6.814 -5.029 85 1HD ARG 11 2HD ARG 11 -10.299 -5.831 -6.549 86 2HD ARG 11 1HD ARG 11 -9.884 -7.540 -6.566 87 HE ARG 11 HE ARG 11 -10.514 -7.677 -4.317 88 1HH1 ARG 11 2HH1 ARG 11 -9.175 -5.445 -3.018 89 2HH1 ARG 11 1HH1 ARG 11 -10.451 -4.331 -2.659 90 1HH2 ARG 11 1HH2 ARG 11 -12.693 -5.774 -4.876 91 2HH2 ARG 11 2HH2 ARG 11 -12.443 -4.517 -3.711 92 H ARG 12 H ARG 12 -8.257 -2.190 -6.832 93 HA ARG 12 HA ARG 12 -9.046 -2.673 -9.451 94 1HB ARG 12 2HB ARG 12 -9.574 -0.710 -7.714 95 2HB ARG 12 1HB ARG 12 -8.407 0.140 -8.728 96 1HG ARG 12 2HG ARG 12 -10.259 0.577 -10.001 97 2HG ARG 12 1HG ARG 12 -9.920 -1.029 -10.649 98 1HD ARG 12 2HD ARG 12 -11.435 -1.999 -8.920 99 2HD ARG 12 1HD ARG 12 -11.831 -0.367 -8.392 100 HE ARG 12 HE ARG 12 -12.367 -1.249 -11.169 101 1HH1 ARG 12 2HH1 ARG 12 -13.330 1.342 -11.064 102 2HH1 ARG 12 1HH1 ARG 12 -14.898 1.277 -10.329 103 1HH2 ARG 12 1HH2 ARG 12 -14.411 -1.866 -8.947 104 2HH2 ARG 12 2HH2 ARG 12 -15.509 -0.540 -9.130 105 H ALA 13 H ALA 13 -5.927 -1.675 -8.288 106 HA ALA 13 HA ALA 13 -5.031 -0.615 -10.827 107 1HB ALA 13 1HB ALA 13 -3.581 -1.300 -8.266 108 2HB ALA 13 3HB ALA 13 -2.772 -0.659 -9.696 109 3HB ALA 13 2HB ALA 13 -3.998 0.303 -8.870 110 H LEU 14 H LEU 14 -4.216 -3.483 -8.882 111 HA LEU 14 HA LEU 14 -2.510 -4.720 -10.714 112 1HB LEU 14 2HB LEU 14 -4.156 -5.654 -8.408 113 2HB LEU 14 1HB LEU 14 -3.478 -6.871 -9.487 114 HG LEU 14 HG LEU 14 -1.709 -4.654 -8.512 115 1HD1 LEU 14 2HD1 LEU 14 -3.114 -6.009 -6.646 116 2HD1 LEU 14 1HD1 LEU 14 -1.795 -7.150 -6.899 117 3HD1 LEU 14 3HD1 LEU 14 -1.444 -5.498 -6.397 118 1HD2 LEU 14 3HD2 LEU 14 -1.222 -6.619 -10.227 119 2HD2 LEU 14 2HD2 LEU 14 0.006 -6.120 -9.065 120 3HD2 LEU 14 1HD2 LEU 14 -0.975 -7.550 -8.749 121 H VAL 15 H VAL 15 -5.980 -4.480 -10.686 122 HA VAL 15 HA VAL 15 -6.435 -6.683 -12.493 123 HB VAL 15 HB VAL 15 -8.277 -4.373 -11.818 124 1HG1 VAL 15 3HG1 VAL 15 -8.830 -5.757 -13.844 125 2HG1 VAL 15 2HG1 VAL 15 -8.890 -7.176 -12.800 126 3HG1 VAL 15 1HG1 VAL 15 -10.041 -5.862 -12.567 127 1HG2 VAL 15 2HG2 VAL 15 -7.274 -6.057 -9.965 128 2HG2 VAL 15 1HG2 VAL 15 -8.937 -5.475 -9.908 129 3HG2 VAL 15 3HG2 VAL 15 -8.584 -7.067 -10.578 130 H GLU 16 H GLU 16 -6.237 -3.156 -12.724 131 HA GLU 16 HA GLU 16 -6.888 -2.936 -15.467 132 1HB GLU 16 2HB GLU 16 -5.444 -1.185 -13.507 133 2HB GLU 16 1HB GLU 16 -5.438 -0.768 -15.221 134 1HG GLU 16 2HG GLU 16 -7.797 -0.569 -15.298 135 2HG GLU 16 1HG GLU 16 -8.002 -1.424 -13.769 136 H CYS 17 H CYS 17 -3.964 -3.871 -13.818 137 HA CYS 17 HA CYS 17 -2.046 -3.317 -15.785 138 1HB CYS 17 2HB CYS 17 -2.244 -5.363 -13.600 139 2HB CYS 17 1HB CYS 17 -0.918 -5.439 -14.758 140 HG CYS 17 HG CYS 17 -0.007 -3.853 -12.981 141 H ALA 18 H ALA 18 -4.365 -5.935 -15.485 142 HA ALA 18 HA ALA 18 -3.228 -7.352 -17.779 143 1HB ALA 18 2HB ALA 18 -4.372 -8.352 -15.583 144 2HB ALA 18 1HB ALA 18 -5.823 -8.174 -16.570 145 3HB ALA 18 3HB ALA 18 -4.482 -9.166 -17.143 146 H GLY 19 H GLY 19 -6.489 -6.222 -16.872 147 1HA GLY 19 2HA GLY 19 -7.047 -4.613 -19.041 148 2HA GLY 19 1HA GLY 19 -7.438 -6.247 -19.574 149 H GLU 20 H GLU 20 -9.548 -6.591 -19.443 150 HA GLU 20 HA GLU 20 -11.036 -5.454 -17.153 151 1HB GLU 20 2HB GLU 20 -11.728 -5.892 -20.013 152 2HB GLU 20 1HB GLU 20 -13.009 -6.153 -18.830 153 1HG GLU 20 2HG GLU 20 -11.361 -3.698 -18.488 154 2HG GLU 20 1HG GLU 20 -12.468 -3.721 -19.861 155 H THR 21 H THR 21 -11.780 -6.826 -15.681 156 HA THR 21 HA THR 21 -12.966 -9.323 -16.224 157 HB THR 21 HB THR 21 -10.794 -10.188 -16.761 158 HG1 THR 21 HG1 THR 21 -11.938 -11.563 -15.453 159 1HG2 THR 21 3HG2 THR 21 -9.948 -8.322 -14.687 160 2HG2 THR 21 2HG2 THR 21 -9.234 -9.919 -14.463 161 3HG2 THR 21 1HG2 THR 21 -9.005 -9.058 -15.984 162 H ASP 22 H ASP 22 -14.384 -9.418 -14.641 163 HA ASP 22 HA ASP 22 -13.684 -8.317 -12.001 164 1HB ASP 22 2HB ASP 22 -16.150 -8.461 -11.574 165 2HB ASP 22 1HB ASP 22 -15.725 -7.398 -12.916 166 H GLY 23 H GLY 23 -12.690 -10.891 -12.927 167 1HA GLY 23 2HA GLY 23 -14.244 -12.905 -11.505 168 2HA GLY 23 1HA GLY 23 -12.748 -13.172 -12.396 169 H THR 24 H THR 24 -14.015 -11.655 -9.444 170 HA THR 24 HA THR 24 -11.945 -12.840 -7.837 171 HB THR 24 HB THR 24 -11.896 -9.896 -7.526 172 HG1 THR 24 HG1 THR 24 -10.482 -9.647 -9.259 173 1HG2 THR 24 2HG2 THR 24 -10.548 -11.553 -6.199 174 2HG2 THR 24 1HG2 THR 24 -9.686 -11.960 -7.683 175 3HG2 THR 24 3HG2 THR 24 -9.575 -10.331 -7.016 176 H ASP 25 H ASP 25 -12.823 -13.273 -5.944 177 HA ASP 25 HA ASP 25 -15.014 -11.547 -4.959 178 1HB ASP 25 2HB ASP 25 -15.997 -13.615 -3.938 179 2HB ASP 25 1HB ASP 25 -16.019 -13.609 -5.702 180 H LEU 26 H LEU 26 -13.005 -10.570 -3.979 181 HA LEU 26 HA LEU 26 -12.757 -11.578 -1.261 182 1HB LEU 26 2HB LEU 26 -10.151 -11.047 -1.538 183 2HB LEU 26 1HB LEU 26 -10.807 -12.657 -1.799 184 HG LEU 26 HG LEU 26 -11.042 -11.970 -4.280 185 1HD1 LEU 26 1HD1 LEU 26 -9.470 -9.688 -3.126 186 2HD1 LEU 26 3HD1 LEU 26 -9.118 -10.234 -4.766 187 3HD1 LEU 26 2HD1 LEU 26 -10.735 -9.660 -4.355 188 1HD2 LEU 26 2HD2 LEU 26 -9.306 -13.514 -3.329 189 2HD2 LEU 26 1HD2 LEU 26 -8.747 -12.613 -4.738 190 3HD2 LEU 26 3HD2 LEU 26 -8.245 -12.120 -3.122 191 H SER 27 H SER 27 -13.151 -9.912 -0.011 192 HA SER 27 HA SER 27 -11.963 -7.301 -0.670 193 1HB SER 27 2HB SER 27 -14.547 -7.695 -1.268 194 2HB SER 27 1HB SER 27 -14.720 -7.260 0.429 195 HG SER 27 HG SER 27 -14.733 -5.381 -0.759 196 H GLY 28 H GLY 28 -10.544 -8.216 1.033 197 1HA GLY 28 2HA GLY 28 -10.563 -6.919 3.383 198 2HA GLY 28 1HA GLY 28 -11.615 -8.286 3.739 199 H ASP 29 H ASP 29 -10.122 -10.063 1.897 200 HA ASP 29 HA ASP 29 -7.564 -10.318 3.348 201 1HB ASP 29 2HB ASP 29 -9.378 -11.832 4.304 202 2HB ASP 29 1HB ASP 29 -9.336 -12.690 2.764 203 H PHE 30 H PHE 30 -6.586 -9.510 1.429 204 HA PHE 30 HA PHE 30 -6.074 -11.613 -0.519 205 1HB PHE 30 2HB PHE 30 -6.610 -10.314 -2.466 206 2HB PHE 30 1HB PHE 30 -8.025 -10.312 -1.422 207 HD1 PHE 30 HD1 PHE 30 -7.905 -8.282 0.438 208 HD2 PHE 30 HD2 PHE 30 -6.070 -8.280 -3.447 209 HE1 PHE 30 HE1 PHE 30 -7.889 -5.804 0.442 210 HE2 PHE 30 HE2 PHE 30 -6.054 -5.805 -3.438 211 HZ PHE 30 HZ PHE 30 -6.965 -4.568 -1.499 212 H LEU 31 H LEU 31 -4.580 -10.296 1.575 213 HA LEU 31 HA LEU 31 -2.414 -9.178 -0.083 214 1HB LEU 31 2HB LEU 31 -3.208 -8.145 2.647 215 2HB LEU 31 1HB LEU 31 -1.917 -7.520 1.618 216 HG LEU 31 HG LEU 31 -4.788 -7.671 0.684 217 1HD1 LEU 31 3HD1 LEU 31 -4.021 -6.117 2.804 218 2HD1 LEU 31 2HD1 LEU 31 -3.719 -5.029 1.448 219 3HD1 LEU 31 1HD1 LEU 31 -5.328 -5.713 1.691 220 1HD2 LEU 31 1HD2 LEU 31 -2.275 -6.260 -0.238 221 2HD2 LEU 31 3HD2 LEU 31 -3.254 -7.428 -1.126 222 3HD2 LEU 31 2HD2 LEU 31 -3.878 -5.807 -0.818 223 H ASP 32 H ASP 32 -1.864 -11.497 0.077 224 HA ASP 32 HA ASP 32 0.087 -11.869 2.208 225 1HB ASP 32 2HB ASP 32 -2.331 -13.620 1.849 226 2HB ASP 32 1HB ASP 32 -0.817 -14.306 2.441 227 H LEU 33 H LEU 33 -1.569 -13.338 -0.561 228 HA LEU 33 HA LEU 33 1.018 -13.836 -1.841 229 1HB LEU 33 2HB LEU 33 -0.971 -15.960 -1.079 230 2HB LEU 33 1HB LEU 33 0.039 -16.156 -2.511 231 HG LEU 33 HG LEU 33 1.927 -15.381 -0.737 232 1HD1 LEU 33 2HD1 LEU 33 -0.395 -16.409 0.815 233 2HD1 LEU 33 1HD1 LEU 33 1.193 -17.021 1.278 234 3HD1 LEU 33 3HD1 LEU 33 0.877 -15.286 1.301 235 1HD2 LEU 33 2HD2 LEU 33 0.829 -18.037 -1.563 236 2HD2 LEU 33 1HD2 LEU 33 2.415 -17.332 -1.879 237 3HD2 LEU 33 3HD2 LEU 33 2.052 -18.014 -0.292 238 H ARG 34 H ARG 34 -1.122 -11.951 -2.276 239 HA ARG 34 HA ARG 34 -2.908 -12.715 -4.307 240 1HB ARG 34 2HB ARG 34 -2.852 -10.533 -2.931 241 2HB ARG 34 1HB ARG 34 -1.711 -9.955 -4.142 242 1HG ARG 34 2HG ARG 34 -3.790 -11.115 -5.632 243 2HG ARG 34 1HG ARG 34 -4.604 -10.248 -4.331 244 1HD ARG 34 2HD ARG 34 -4.362 -8.453 -5.705 245 2HD ARG 34 1HD ARG 34 -2.728 -8.412 -5.052 246 HE ARG 34 HE ARG 34 -1.938 -9.127 -7.123 247 1HH1 ARG 34 2HH1 ARG 34 -5.107 -8.247 -7.542 248 2HH1 ARG 34 1HH1 ARG 34 -5.429 -9.265 -8.904 249 1HH2 ARG 34 1HH2 ARG 34 -2.462 -11.037 -8.622 250 2HH2 ARG 34 2HH2 ARG 34 -3.932 -10.842 -9.516 251 H PHE 35 H PHE 35 0.412 -11.478 -4.470 252 HA PHE 35 HA PHE 35 0.542 -11.146 -7.272 253 1HB PHE 35 2HB PHE 35 2.612 -11.613 -5.143 254 2HB PHE 35 1HB PHE 35 3.071 -11.619 -6.846 255 HD1 PHE 35 HD2 PHE 35 1.577 -9.581 -8.140 256 HD2 PHE 35 HD1 PHE 35 3.126 -9.581 -4.135 257 HE1 PHE 35 HE2 PHE 35 1.565 -7.108 -8.139 258 HE2 PHE 35 HE1 PHE 35 3.125 -7.103 -4.140 259 HZ PHE 35 HZ PHE 35 2.342 -5.868 -6.143 260 H GLU 36 H GLU 36 1.429 -13.899 -5.199 261 HA GLU 36 HA GLU 36 1.923 -15.581 -7.527 262 1HB GLU 36 2HB GLU 36 1.939 -16.289 -4.581 263 2HB GLU 36 1HB GLU 36 2.524 -17.306 -5.898 264 1HG GLU 36 2HG GLU 36 4.102 -15.389 -6.499 265 2HG GLU 36 1HG GLU 36 3.659 -14.665 -4.953 266 H ASP 37 H ASP 37 -0.325 -15.267 -8.289 267 HA ASP 37 HA ASP 37 -1.980 -17.485 -7.382 268 1HB ASP 37 2HB ASP 37 -2.557 -15.252 -6.103 269 2HB ASP 37 1HB ASP 37 -3.372 -14.846 -7.613 270 H ILE 38 H ILE 38 -2.050 -14.548 -9.419 271 HA ILE 38 HA ILE 38 -3.456 -16.017 -11.510 272 HB ILE 38 HB ILE 38 -3.711 -13.910 -12.634 273 1HG1 ILE 38 2HG1 ILE 38 -2.602 -11.860 -11.322 274 2HG1 ILE 38 1HG1 ILE 38 -1.415 -13.091 -10.892 275 1HG2 ILE 38 2HG2 ILE 38 -4.769 -14.409 -10.201 276 2HG2 ILE 38 1HG2 ILE 38 -3.916 -12.905 -9.846 277 3HG2 ILE 38 3HG2 ILE 38 -5.134 -12.949 -11.122 278 1HD1 ILE 38 2HD1 ILE 38 -1.787 -13.540 -13.597 279 2HD1 ILE 38 1HD1 ILE 38 -1.901 -11.786 -13.479 280 3HD1 ILE 38 3HD1 ILE 38 -0.460 -12.617 -12.897 281 H GLY 39 H GLY 39 -0.286 -14.717 -10.828 282 1HA GLY 39 2HA GLY 39 1.423 -16.262 -12.058 283 2HA GLY 39 1HA GLY 39 0.711 -15.503 -13.481 284 H TYR 40 H TYR 40 1.528 -14.175 -10.288 285 HA TYR 40 HA TYR 40 3.426 -12.322 -11.598 286 1HB TYR 40 2HB TYR 40 1.221 -11.719 -9.640 287 2HB TYR 40 1HB TYR 40 2.649 -10.692 -9.726 288 HD1 TYR 40 HD2 TYR 40 3.371 -10.276 -12.366 289 HD2 TYR 40 HD1 TYR 40 -0.599 -10.942 -10.855 290 HE1 TYR 40 HE2 TYR 40 2.424 -9.122 -14.345 291 HE2 TYR 40 HE1 TYR 40 -1.541 -9.781 -12.835 292 HH TYR 40 HH TYR 40 -0.158 -7.792 -14.634 293 H ASP 41 H ASP 41 5.391 -12.832 -10.844 294 HA ASP 41 HA ASP 41 5.619 -13.713 -8.032 295 1HB ASP 41 2HB ASP 41 8.025 -14.357 -8.847 296 2HB ASP 41 1HB ASP 41 6.663 -15.402 -9.232 297 H SER 42 H SER 42 7.584 -11.879 -10.389 298 HA SER 42 HA SER 42 7.793 -9.608 -8.656 299 1HB SER 42 2HB SER 42 10.380 -11.095 -9.106 300 2HB SER 42 1HB SER 42 10.084 -9.720 -8.047 301 HG SER 42 HG SER 42 9.132 -11.012 -6.616 302 H LEU 43 H LEU 43 9.901 -11.232 -11.032 303 HA LEU 43 HA LEU 43 10.509 -8.872 -12.469 304 1HB LEU 43 2HB LEU 43 10.973 -11.762 -12.787 305 2HB LEU 43 1HB LEU 43 10.834 -10.898 -14.315 306 HG LEU 43 HG LEU 43 13.172 -10.958 -13.556 307 1HD1 LEU 43 2HD1 LEU 43 11.966 -8.861 -14.638 308 2HD1 LEU 43 1HD1 LEU 43 12.344 -8.120 -13.082 309 3HD1 LEU 43 3HD1 LEU 43 13.641 -8.755 -14.094 310 1HD2 LEU 43 3HD2 LEU 43 11.912 -10.094 -11.024 311 2HD2 LEU 43 2HD2 LEU 43 13.410 -10.983 -11.291 312 3HD2 LEU 43 1HD2 LEU 43 13.390 -9.226 -11.439 313 H ALA 44 H ALA 44 7.938 -11.240 -12.718 314 HA ALA 44 HA ALA 44 6.958 -10.427 -15.268 315 1HB ALA 44 2HB ALA 44 6.442 -12.605 -14.011 316 2HB ALA 44 1HB ALA 44 5.275 -11.657 -13.090 317 3HB ALA 44 3HB ALA 44 5.097 -11.820 -14.838 318 H LEU 45 H LEU 45 6.145 -9.547 -11.928 319 HA LEU 45 HA LEU 45 4.163 -7.633 -12.882 320 1HB LEU 45 2HB LEU 45 3.414 -7.445 -10.663 321 2HB LEU 45 1HB LEU 45 3.860 -9.135 -10.827 322 HG LEU 45 HG LEU 45 6.231 -7.953 -9.980 323 1HD1 LEU 45 2HD1 LEU 45 4.629 -5.930 -9.546 324 2HD1 LEU 45 1HD1 LEU 45 4.077 -6.891 -8.174 325 3HD1 LEU 45 3HD1 LEU 45 5.768 -6.402 -8.282 326 1HD2 LEU 45 2HD2 LEU 45 4.010 -9.462 -8.618 327 2HD2 LEU 45 1HD2 LEU 45 5.637 -10.009 -9.022 328 3HD2 LEU 45 3HD2 LEU 45 5.389 -8.898 -7.676 329 H MET 46 H MET 46 7.447 -7.537 -12.635 330 HA MET 46 HA MET 46 7.690 -4.890 -11.458 331 1HB MET 46 2HB MET 46 9.470 -6.632 -11.183 332 2HB MET 46 1HB MET 46 9.789 -6.516 -12.913 333 1HG MET 46 2HG MET 46 10.116 -4.003 -12.533 334 2HG MET 46 1HG MET 46 10.147 -4.376 -10.809 335 1HE MET 46 1HE MET 46 12.334 -3.062 -11.017 336 2HE MET 46 3HE MET 46 13.853 -3.678 -11.684 337 3HE MET 46 2HE MET 46 12.596 -3.071 -12.759 338 H GLU 47 H GLU 47 7.584 -6.386 -14.626 339 HA GLU 47 HA GLU 47 8.434 -4.053 -16.071 340 1HB GLU 47 2HB GLU 47 8.474 -6.510 -16.869 341 2HB GLU 47 1HB GLU 47 6.764 -6.276 -17.231 342 1HG GLU 47 2HG GLU 47 7.202 -4.609 -18.835 343 2HG GLU 47 1HG GLU 47 8.827 -4.313 -18.214 344 H THR 48 H THR 48 5.296 -5.624 -15.494 345 HA THR 48 HA THR 48 3.741 -3.668 -16.845 346 HB THR 48 HB THR 48 2.814 -5.427 -14.567 347 HG1 THR 48 HG1 THR 48 2.703 -7.044 -15.964 348 1HG2 THR 48 1HG2 THR 48 1.464 -4.087 -16.920 349 2HG2 THR 48 3HG2 THR 48 0.687 -5.333 -15.943 350 3HG2 THR 48 2HG2 THR 48 1.164 -3.803 -15.205 351 H ALA 49 H ALA 49 4.519 -4.165 -13.409 352 HA ALA 49 HA ALA 49 3.069 -1.914 -12.459 353 1HB ALA 49 3HB ALA 49 3.777 -3.763 -10.984 354 2HB ALA 49 2HB ALA 49 5.460 -3.290 -11.211 355 3HB ALA 49 1HB ALA 49 4.342 -2.204 -10.387 356 H ALA 50 H ALA 50 6.230 -2.291 -13.879 357 HA ALA 50 HA ALA 50 7.401 0.114 -12.922 358 1HB ALA 50 3HB ALA 50 7.946 -1.705 -15.251 359 2HB ALA 50 2HB ALA 50 8.790 -0.162 -15.112 360 3HB ALA 50 1HB ALA 50 8.953 -1.373 -13.841 361 H ARG 51 H ARG 51 5.757 -0.682 -15.981 362 HA ARG 51 HA ARG 51 5.880 1.915 -17.091 363 1HB ARG 51 2HB ARG 51 4.008 -0.407 -17.566 364 2HB ARG 51 1HB ARG 51 3.893 1.104 -18.468 365 1HG ARG 51 2HG ARG 51 6.336 0.825 -19.067 366 2HG ARG 51 1HG ARG 51 6.254 -0.789 -18.358 367 1HD ARG 51 2HD ARG 51 5.859 -1.073 -20.699 368 2HD ARG 51 1HD ARG 51 4.295 -1.246 -19.910 369 HE ARG 51 HE ARG 51 3.596 0.672 -21.018 370 1HH1 ARG 51 2HH1 ARG 51 5.551 2.666 -20.152 371 2HH1 ARG 51 1HH1 ARG 51 6.435 3.040 -21.594 372 1HH2 ARG 51 1HH2 ARG 51 5.392 0.197 -23.285 373 2HH2 ARG 51 2HH2 ARG 51 6.345 1.642 -23.368 374 H LEU 52 H LEU 52 3.586 0.333 -14.953 375 HA LEU 52 HA LEU 52 1.611 2.407 -15.047 376 1HB LEU 52 2HB LEU 52 1.321 -0.058 -14.314 377 2HB LEU 52 1HB LEU 52 1.936 0.490 -12.754 378 HG LEU 52 HG LEU 52 -0.205 2.141 -13.997 379 1HD1 LEU 52 2HD1 LEU 52 -0.749 -0.410 -14.241 380 2HD1 LEU 52 1HD1 LEU 52 -0.985 -0.346 -12.494 381 3HD1 LEU 52 3HD1 LEU 52 -1.969 0.663 -13.554 382 1HD2 LEU 52 3HD2 LEU 52 1.082 2.162 -11.606 383 2HD2 LEU 52 2HD2 LEU 52 -0.553 2.782 -11.824 384 3HD2 LEU 52 1HD2 LEU 52 -0.304 1.153 -11.196 385 H GLU 53 H GLU 53 4.586 1.968 -13.319 386 HA GLU 53 HA GLU 53 4.047 3.552 -11.041 387 1HB GLU 53 2HB GLU 53 6.091 2.022 -11.569 388 2HB GLU 53 1HB GLU 53 6.758 3.466 -12.332 389 1HG GLU 53 2HG GLU 53 6.845 4.651 -10.325 390 2HG GLU 53 1HG GLU 53 5.594 3.662 -9.570 391 H SER 54 H SER 54 4.990 4.331 -14.328 392 HA SER 54 HA SER 54 5.816 6.993 -13.966 393 1HB SER 54 2HB SER 54 5.915 5.526 -16.091 394 2HB SER 54 1HB SER 54 4.270 6.086 -16.384 395 HG SER 54 HG SER 54 6.688 7.505 -16.343 396 H ARG 55 H ARG 55 2.638 5.552 -14.029 397 HA ARG 55 HA ARG 55 1.038 7.763 -14.622 398 1HB ARG 55 2HB ARG 55 0.266 5.378 -14.326 399 2HB ARG 55 1HB ARG 55 0.362 5.635 -12.584 400 1HG ARG 55 2HG ARG 55 -1.806 6.307 -12.827 401 2HG ARG 55 1HG ARG 55 -1.067 7.830 -13.318 402 1HD ARG 55 2HD ARG 55 -1.674 7.566 -15.491 403 2HD ARG 55 1HD ARG 55 -1.293 5.848 -15.489 404 HE ARG 55 HE ARG 55 -3.521 5.408 -14.985 405 1HH1 ARG 55 1HH2 ARG 55 -3.812 7.167 -12.580 406 2HH1 ARG 55 2HH2 ARG 55 -4.987 8.330 -13.101 407 1HH2 ARG 55 2HH1 ARG 55 -4.603 7.602 -16.469 408 2HH2 ARG 55 1HH1 ARG 55 -5.434 8.575 -15.303 409 H TYR 56 H TYR 56 2.472 6.742 -11.550 410 HA TYR 56 HA TYR 56 1.271 8.991 -10.131 411 1HB TYR 56 2HB TYR 56 3.127 6.767 -9.259 412 2HB TYR 56 1HB TYR 56 2.614 8.074 -8.192 413 HD1 TYR 56 HD2 TYR 56 1.093 5.647 -10.628 414 HD2 TYR 56 HD1 TYR 56 0.726 7.702 -6.871 415 HE1 TYR 56 HE2 TYR 56 -1.031 4.449 -10.177 416 HE2 TYR 56 HE1 TYR 56 -1.395 6.503 -6.425 417 HH TYR 56 HH TYR 56 -3.192 5.058 -8.639 418 H GLY 57 H GLY 57 4.616 7.778 -10.412 419 1HA GLY 57 2HA GLY 57 6.577 8.918 -10.918 420 2HA GLY 57 1HA GLY 57 5.620 10.366 -11.214 421 H VAL 58 H VAL 58 5.421 8.494 -8.258 422 HA VAL 58 HA VAL 58 6.132 10.837 -6.711 423 HB VAL 58 HB VAL 58 4.235 9.374 -6.060 424 1HG1 VAL 58 2HG1 VAL 58 5.322 7.216 -6.752 425 2HG1 VAL 58 1HG1 VAL 58 6.374 7.349 -5.343 426 3HG1 VAL 58 3HG1 VAL 58 4.633 7.171 -5.131 427 1HG2 VAL 58 3HG2 VAL 58 5.557 10.766 -4.426 428 2HG2 VAL 58 2HG2 VAL 58 4.730 9.384 -3.708 429 3HG2 VAL 58 1HG2 VAL 58 6.464 9.309 -4.019 430 H SER 59 H SER 59 7.387 7.569 -7.263 431 HA SER 59 HA SER 59 10.067 8.480 -6.545 432 1HB SER 59 2HB SER 59 10.321 6.406 -5.051 433 2HB SER 59 1HB SER 59 9.437 7.775 -4.381 434 HG SER 59 HG SER 59 7.973 6.277 -4.070 435 H ILE 60 H ILE 60 11.539 6.339 -6.624 436 HA ILE 60 HA ILE 60 10.686 4.681 -8.907 437 HB ILE 60 HB ILE 60 13.402 6.006 -8.727 438 1HG1 ILE 60 2HG1 ILE 60 11.088 6.640 -10.585 439 2HG1 ILE 60 1HG1 ILE 60 11.518 7.610 -9.176 440 1HG2 ILE 60 1HG2 ILE 60 12.025 4.244 -10.765 441 2HG2 ILE 60 3HG2 ILE 60 13.443 5.217 -11.157 442 3HG2 ILE 60 2HG2 ILE 60 13.553 3.948 -9.936 443 1HD1 ILE 60 1HD1 ILE 60 13.924 7.560 -10.297 444 2HD1 ILE 60 3HD1 ILE 60 12.986 7.268 -11.762 445 3HD1 ILE 60 2HD1 ILE 60 12.711 8.731 -10.817 446 HA PRO 61 HA PRO 61 12.732 2.134 -5.646 447 1HB PRO 61 2HB PRO 61 10.757 0.258 -5.439 448 2HB PRO 61 1HB PRO 61 10.778 1.770 -4.517 449 1HG PRO 61 2HG PRO 61 9.081 0.994 -6.811 450 2HG PRO 61 1HG PRO 61 8.774 2.174 -5.530 451 1HD PRO 61 2HD PRO 61 9.617 2.731 -8.193 452 2HD PRO 61 1HD PRO 61 9.509 3.887 -6.846 453 H ASP 62 H ASP 62 14.265 0.785 -6.385 454 HA ASP 62 HA ASP 62 13.720 -0.833 -8.785 455 1HB ASP 62 2HB ASP 62 16.278 0.065 -7.459 456 2HB ASP 62 1HB ASP 62 16.247 -1.159 -8.730 457 H ASP 63 H ASP 63 15.065 -1.103 -5.504 458 HA ASP 63 HA ASP 63 15.274 -3.991 -5.713 459 1HB ASP 63 2HB ASP 63 16.852 -2.458 -4.396 460 2HB ASP 63 1HB ASP 63 15.572 -2.381 -3.185 461 H VAL 64 H VAL 64 13.480 -1.774 -3.552 462 HA VAL 64 HA VAL 64 11.936 -3.741 -2.294 463 HB VAL 64 HB VAL 64 12.143 -1.423 -1.471 464 1HG1 VAL 64 3HG1 VAL 64 11.912 -0.375 -3.761 465 2HG1 VAL 64 2HG1 VAL 64 10.179 -0.680 -3.647 466 3HG1 VAL 64 1HG1 VAL 64 10.961 0.399 -2.493 467 1HG2 VAL 64 2HG2 VAL 64 9.330 -2.405 -2.027 468 2HG2 VAL 64 1HG2 VAL 64 10.309 -2.742 -0.599 469 3HG2 VAL 64 3HG2 VAL 64 9.709 -1.109 -0.893 470 H ALA 65 H ALA 65 11.219 -1.808 -5.186 471 HA ALA 65 HA ALA 65 8.655 -3.103 -5.571 472 1HB ALA 65 3HB ALA 65 10.195 -0.950 -6.923 473 2HB ALA 65 2HB ALA 65 9.040 -1.844 -7.910 474 3HB ALA 65 1HB ALA 65 8.496 -1.000 -6.460 475 H GLY 66 H GLY 66 11.896 -3.283 -6.972 476 1HA GLY 66 2HA GLY 66 11.350 -4.931 -9.173 477 2HA GLY 66 1HA GLY 66 12.889 -4.866 -8.324 478 H ARG 67 H ARG 67 11.522 -5.679 -5.771 479 HA ARG 67 HA ARG 67 10.858 -8.477 -6.406 480 1HB ARG 67 2HB ARG 67 13.349 -7.932 -5.605 481 2HB ARG 67 1HB ARG 67 12.574 -7.981 -4.022 482 1HG ARG 67 2HG ARG 67 11.919 -10.221 -4.265 483 2HG ARG 67 1HG ARG 67 12.059 -10.169 -6.023 484 1HD ARG 67 2HD ARG 67 13.950 -11.407 -5.245 485 2HD ARG 67 1HD ARG 67 14.554 -9.817 -5.698 486 HE ARG 67 HE ARG 67 14.904 -9.336 -3.411 487 1HH1 ARG 67 1HH2 ARG 67 12.833 -10.237 -1.767 488 2HH1 ARG 67 2HH2 ARG 67 13.347 -11.754 -1.107 489 1HH2 ARG 67 2HH1 ARG 67 15.821 -12.251 -3.487 490 2HH2 ARG 67 1HH1 ARG 67 15.040 -12.894 -2.082 491 H VAL 68 H VAL 68 8.718 -7.397 -5.961 492 HA VAL 68 HA VAL 68 8.225 -7.031 -3.083 493 HB VAL 68 HB VAL 68 7.425 -5.249 -4.609 494 1HG1 VAL 68 1HG1 VAL 68 6.761 -7.270 -6.325 495 2HG1 VAL 68 3HG1 VAL 68 5.186 -6.880 -5.633 496 3HG1 VAL 68 2HG1 VAL 68 6.130 -5.628 -6.438 497 1HG2 VAL 68 2HG2 VAL 68 5.721 -6.820 -2.784 498 2HG2 VAL 68 1HG2 VAL 68 6.059 -5.091 -2.801 499 3HG2 VAL 68 3HG2 VAL 68 4.832 -5.760 -3.876 500 H ASP 69 H ASP 69 7.769 -8.853 -2.058 501 HA ASP 69 HA ASP 69 6.555 -11.110 -3.399 502 1HB ASP 69 2HB ASP 69 7.542 -10.589 -0.607 503 2HB ASP 69 1HB ASP 69 6.568 -12.016 -0.963 504 H THR 70 H THR 70 5.606 -8.793 -0.878 505 HA THR 70 HA THR 70 2.860 -9.853 -0.987 506 HB THR 70 HB THR 70 2.474 -8.595 1.076 507 HG1 THR 70 HG1 THR 70 5.198 -7.849 0.836 508 1HG2 THR 70 2HG2 THR 70 3.469 -10.866 1.198 509 2HG2 THR 70 1HG2 THR 70 5.077 -10.143 1.176 510 3HG2 THR 70 3HG2 THR 70 3.993 -9.842 2.534 511 HA PRO 71 HA PRO 71 1.600 -6.236 -3.230 512 1HB PRO 71 2HB PRO 71 -1.086 -6.325 -2.747 513 2HB PRO 71 1HB PRO 71 -0.252 -7.426 -3.856 514 1HG PRO 71 2HG PRO 71 -1.322 -7.942 -1.145 515 2HG PRO 71 1HG PRO 71 -1.101 -9.058 -2.496 516 1HD PRO 71 2HD PRO 71 0.580 -8.819 -0.237 517 2HD PRO 71 1HD PRO 71 0.956 -9.698 -1.738 518 H ARG 72 H ARG 72 0.581 -6.622 0.111 519 HA ARG 72 HA ARG 72 -0.489 -4.089 0.633 520 1HB ARG 72 2HB ARG 72 -0.530 -6.055 2.196 521 2HB ARG 72 1HB ARG 72 1.165 -5.732 2.559 522 1HG ARG 72 2HG ARG 72 0.672 -3.621 3.525 523 2HG ARG 72 1HG ARG 72 -0.951 -3.594 2.832 524 1HD ARG 72 2HD ARG 72 -0.365 -5.910 4.580 525 2HD ARG 72 1HD ARG 72 -0.405 -4.349 5.394 526 HE ARG 72 HE ARG 72 -2.659 -5.743 4.213 527 1HH1 ARG 72 1HH2 ARG 72 -3.604 -3.521 3.004 528 2HH1 ARG 72 2HH2 ARG 72 -4.142 -2.413 4.222 529 1HH2 ARG 72 2HH1 ARG 72 -2.379 -3.956 6.778 530 2HH2 ARG 72 1HH1 ARG 72 -3.448 -2.659 6.360 531 H GLU 73 H GLU 73 2.814 -5.101 0.183 532 HA GLU 73 HA GLU 73 4.017 -2.801 1.418 533 1HB GLU 73 2HB GLU 73 5.177 -5.016 1.069 534 2HB GLU 73 1HB GLU 73 5.249 -4.630 -0.650 535 1HG GLU 73 2HG GLU 73 7.280 -3.753 0.009 536 2HG GLU 73 1HG GLU 73 6.258 -2.343 0.286 537 H LEU 74 H LEU 74 3.092 -3.738 -1.859 538 HA LEU 74 HA LEU 74 4.289 -1.587 -3.237 539 1HB LEU 74 2HB LEU 74 2.649 -3.789 -3.901 540 2HB LEU 74 1HB LEU 74 1.778 -2.364 -4.461 541 HG LEU 74 HG LEU 74 4.106 -1.640 -5.422 542 1HD1 LEU 74 1HD1 LEU 74 5.170 -3.655 -4.187 543 2HD1 LEU 74 3HD1 LEU 74 4.494 -4.633 -5.490 544 3HD1 LEU 74 2HD1 LEU 74 5.664 -3.365 -5.855 545 1HD2 LEU 74 2HD2 LEU 74 2.120 -2.247 -6.776 546 2HD2 LEU 74 1HD2 LEU 74 3.606 -2.849 -7.511 547 3HD2 LEU 74 3HD2 LEU 74 2.549 -3.951 -6.630 548 H LEU 75 H LEU 75 1.074 -1.965 -1.785 549 HA LEU 75 HA LEU 75 0.019 0.540 -2.577 550 1HB LEU 75 2HB LEU 75 -1.421 -1.250 -1.718 551 2HB LEU 75 1HB LEU 75 -0.622 -1.170 -0.152 552 HG LEU 75 HG LEU 75 -1.382 1.397 -0.312 553 1HD1 LEU 75 2HD1 LEU 75 -2.416 0.709 -2.642 554 2HD1 LEU 75 1HD1 LEU 75 -3.733 0.101 -1.638 555 3HD1 LEU 75 3HD1 LEU 75 -3.287 1.807 -1.570 556 1HD2 LEU 75 2HD2 LEU 75 -2.872 -1.061 0.559 557 2HD2 LEU 75 1HD2 LEU 75 -2.101 0.181 1.548 558 3HD2 LEU 75 3HD2 LEU 75 -3.626 0.525 0.731 559 H ASP 76 H ASP 76 1.633 -0.492 0.426 560 HA ASP 76 HA ASP 76 1.615 2.116 1.588 561 1HB ASP 76 2HB ASP 76 1.956 -0.244 2.698 562 2HB ASP 76 1HB ASP 76 3.658 0.070 2.355 563 H LEU 77 H LEU 77 3.461 0.833 -0.958 564 HA LEU 77 HA LEU 77 5.900 2.268 -0.379 565 1HB LEU 77 2HB LEU 77 5.677 0.108 -1.764 566 2HB LEU 77 1HB LEU 77 5.126 1.159 -3.069 567 HG LEU 77 HG LEU 77 7.251 2.553 -2.578 568 1HD1 LEU 77 1HD1 LEU 77 7.901 -0.062 -1.184 569 2HD1 LEU 77 3HD1 LEU 77 9.108 1.141 -1.640 570 3HD1 LEU 77 2HD1 LEU 77 7.864 1.545 -0.457 571 1HD2 LEU 77 1HD2 LEU 77 7.225 -0.204 -3.817 572 2HD2 LEU 77 3HD2 LEU 77 7.149 1.359 -4.629 573 3HD2 LEU 77 2HD2 LEU 77 8.656 0.824 -3.884 574 H ILE 78 H ILE 78 3.524 2.505 -3.047 575 HA ILE 78 HA ILE 78 4.469 5.086 -3.859 576 HB ILE 78 HB ILE 78 1.808 3.785 -4.498 577 1HG1 ILE 78 2HG1 ILE 78 4.300 3.696 -6.200 578 2HG1 ILE 78 1HG1 ILE 78 3.986 2.458 -4.983 579 1HG2 ILE 78 1HG2 ILE 78 2.053 6.226 -5.020 580 2HG2 ILE 78 3HG2 ILE 78 3.450 5.831 -6.024 581 3HG2 ILE 78 2HG2 ILE 78 1.850 5.226 -6.459 582 1HD1 ILE 78 1HD1 ILE 78 1.678 2.195 -6.066 583 2HD1 ILE 78 3HD1 ILE 78 2.315 3.152 -7.404 584 3HD1 ILE 78 2HD1 ILE 78 3.052 1.601 -6.999 585 H ASN 79 H ASN 79 1.716 3.932 -1.997 586 HA ASN 79 HA ASN 79 0.372 6.362 -1.613 587 1HB ASN 79 2HB ASN 79 -0.521 4.085 -1.063 588 2HB ASN 79 1HB ASN 79 0.539 4.061 0.344 589 1HD2 ASN 79 2HD2 ASN 79 -2.796 5.358 1.409 590 2HD2 ASN 79 1HD2 ASN 79 -2.248 3.914 0.704 591 H GLY 80 H GLY 80 2.828 4.752 0.409 592 1HA GLY 80 2HA GLY 80 2.910 6.747 2.425 593 2HA GLY 80 1HA GLY 80 4.161 5.547 2.116 594 H ALA 81 H ALA 81 4.521 6.389 -0.666 595 HA ALA 81 HA ALA 81 6.529 8.371 -0.244 596 1HB ALA 81 3HB ALA 81 6.448 6.535 -2.055 597 2HB ALA 81 2HB ALA 81 5.408 7.649 -2.942 598 3HB ALA 81 1HB ALA 81 7.055 8.123 -2.523 599 H LEU 82 H LEU 82 3.190 8.465 -1.279 600 HA LEU 82 HA LEU 82 3.329 11.171 -2.288 601 1HB LEU 82 2HB LEU 82 1.190 9.130 -1.914 602 2HB LEU 82 1HB LEU 82 0.703 10.823 -1.994 603 HG LEU 82 HG LEU 82 2.520 9.531 -4.041 604 1HD1 LEU 82 1HD1 LEU 82 0.146 8.548 -3.857 605 2HD1 LEU 82 3HD1 LEU 82 -0.419 10.126 -4.407 606 3HD1 LEU 82 2HD1 LEU 82 0.635 9.159 -5.437 607 1HD2 LEU 82 1HD2 LEU 82 1.089 12.168 -3.756 608 2HD2 LEU 82 3HD2 LEU 82 2.780 11.869 -4.155 609 3HD2 LEU 82 2HD2 LEU 82 1.523 11.554 -5.351 610 H ALA 83 H ALA 83 2.483 9.577 0.720 611 HA ALA 83 HA ALA 83 1.165 11.713 2.001 612 1HB ALA 83 2HB ALA 83 1.426 9.248 2.759 613 2HB ALA 83 1HB ALA 83 2.942 9.790 3.480 614 3HB ALA 83 3HB ALA 83 1.414 10.506 3.995 615 H GLU 84 H GLU 84 4.587 10.723 2.111 616 HA GLU 84 HA GLU 84 5.494 12.801 3.770 617 1HB GLU 84 2HB GLU 84 6.647 10.610 2.530 618 2HB GLU 84 1HB GLU 84 7.429 11.970 1.726 619 1HG GLU 84 2HG GLU 84 8.814 11.872 3.545 620 2HG GLU 84 1HG GLU 84 7.537 12.833 4.289 621 H ALA 85 H ALA 85 4.818 12.690 0.340 622 HA ALA 85 HA ALA 85 5.974 15.362 -0.054 623 1HB ALA 85 3HB ALA 85 5.110 13.150 -1.873 624 2HB ALA 85 2HB ALA 85 5.098 14.803 -2.486 625 3HB ALA 85 1HB ALA 85 6.598 14.097 -1.887 626 H ALA 86 HN ALA 86 3.758 15.280 1.634 627 HA ALA 86 HA ALA 86 1.938 17.012 0.172 628 1HB ALA 86 2HB ALA 86 1.116 14.562 -0.037 629 2HB ALA 86 1HB ALA 86 0.708 14.711 1.673 630 3HB ALA 86 3HB ALA 86 -0.039 15.787 0.490 No H/Q in entry = 630 Start of MODEL 21 1 1H MET 1 1H MET 1 -8.633 18.633 -0.860 2 2H MET 1 3H MET 1 -7.313 19.468 -1.521 3 3H MET 1 2H MET 1 -8.836 19.560 -2.269 4 HA MET 1 HA MET 1 -8.757 17.273 -2.903 5 1HB MET 1 2HB MET 1 -7.417 19.151 -4.150 6 2HB MET 1 1HB MET 1 -6.002 18.302 -3.527 7 1HG MET 1 2HG MET 1 -8.153 16.699 -4.857 8 2HG MET 1 1HG MET 1 -7.051 17.633 -5.869 9 1HE MET 1 1HE MET 1 -4.663 17.607 -5.812 10 2HE MET 1 3HE MET 1 -3.761 16.087 -5.754 11 3HE MET 1 2HE MET 1 -5.075 16.294 -6.910 12 H ALA 2 H ALA 2 -8.689 15.999 -0.959 13 HA ALA 2 HA ALA 2 -5.970 15.020 -0.312 14 1HB ALA 2 2HB ALA 2 -7.319 16.304 1.516 15 2HB ALA 2 1HB ALA 2 -8.256 14.815 1.625 16 3HB ALA 2 3HB ALA 2 -6.522 14.791 1.944 17 H THR 3 H THR 3 -5.835 13.204 -1.503 18 HA THR 3 HA THR 3 -7.703 11.040 -0.866 19 HB THR 3 HB THR 3 -7.000 11.419 -3.751 20 HG1 THR 3 HG1 THR 3 -8.463 12.925 -4.010 21 1HG2 THR 3 2HG2 THR 3 -9.061 10.003 -2.099 22 2HG2 THR 3 1HG2 THR 3 -9.443 10.427 -3.767 23 3HG2 THR 3 3HG2 THR 3 -8.067 9.381 -3.417 24 H LEU 4 H LEU 4 -6.354 9.572 -0.065 25 HA LEU 4 HA LEU 4 -3.685 9.237 -1.250 26 1HB LEU 4 2HB LEU 4 -4.893 8.064 1.269 27 2HB LEU 4 1HB LEU 4 -3.232 7.822 0.728 28 HG LEU 4 HG LEU 4 -3.265 10.491 0.642 29 1HD1 LEU 4 3HD1 LEU 4 -5.368 9.724 2.685 30 2HD1 LEU 4 2HD1 LEU 4 -4.560 11.292 2.663 31 3HD1 LEU 4 1HD1 LEU 4 -5.566 10.800 1.301 32 1HD2 LEU 4 2HD2 LEU 4 -2.870 8.670 3.023 33 2HD2 LEU 4 1HD2 LEU 4 -1.642 9.352 1.957 34 3HD2 LEU 4 3HD2 LEU 4 -2.495 10.392 3.098 35 H LEU 5 H LEU 5 -3.036 6.710 -0.901 36 HA LEU 5 HA LEU 5 -4.762 5.297 -2.790 37 1HB LEU 5 2HB LEU 5 -2.048 5.432 -2.585 38 2HB LEU 5 1HB LEU 5 -2.366 3.930 -1.715 39 HG LEU 5 HG LEU 5 -3.772 3.188 -3.673 40 1HD1 LEU 5 2HD1 LEU 5 -2.661 5.770 -4.781 41 2HD1 LEU 5 1HD1 LEU 5 -3.189 4.459 -5.834 42 3HD1 LEU 5 3HD1 LEU 5 -4.341 5.231 -4.745 43 1HD2 LEU 5 1HD2 LEU 5 -1.153 2.864 -3.269 44 2HD2 LEU 5 3HD2 LEU 5 -1.927 2.289 -4.745 45 3HD2 LEU 5 2HD2 LEU 5 -1.053 3.819 -4.747 46 H THR 6 H THR 6 -5.863 3.423 -2.337 47 HA THR 6 HA THR 6 -5.757 2.455 0.455 48 HB THR 6 HB THR 6 -7.758 3.819 0.256 49 HG1 THR 6 HG1 THR 6 -9.049 2.326 1.069 50 1HG2 THR 6 1HG2 THR 6 -7.850 3.584 -2.276 51 2HG2 THR 6 3HG2 THR 6 -8.621 2.020 -2.016 52 3HG2 THR 6 2HG2 THR 6 -9.403 3.495 -1.448 53 H THR 7 H THR 7 -6.819 0.295 0.689 54 HA THR 7 HA THR 7 -5.587 -1.665 -0.834 55 HB THR 7 HB THR 7 -8.237 -1.941 0.604 56 HG1 THR 7 HG1 THR 7 -5.605 -2.340 1.571 57 1HG2 THR 7 1HG2 THR 7 -6.954 -3.778 -0.977 58 2HG2 THR 7 3HG2 THR 7 -6.270 -4.134 0.609 59 3HG2 THR 7 2HG2 THR 7 -8.017 -4.187 0.369 60 H ASP 8 H ASP 8 -8.780 -0.209 -1.252 61 HA ASP 8 HA ASP 8 -9.811 -1.879 -3.249 62 1HB ASP 8 2HB ASP 8 -10.207 1.105 -2.907 63 2HB ASP 8 1HB ASP 8 -11.211 0.052 -3.905 64 H ASP 9 H ASP 9 -7.767 1.010 -3.513 65 HA ASP 9 HA ASP 9 -7.660 1.074 -6.351 66 1HB ASP 9 2HB ASP 9 -6.885 2.842 -4.540 67 2HB ASP 9 1HB ASP 9 -5.342 2.007 -4.707 68 H LEU 10 H LEU 10 -5.915 -0.698 -3.894 69 HA LEU 10 HA LEU 10 -3.662 -1.552 -5.316 70 1HB LEU 10 2HB LEU 10 -4.481 -1.945 -2.815 71 2HB LEU 10 1HB LEU 10 -5.061 -3.464 -3.495 72 HG LEU 10 HG LEU 10 -2.211 -2.431 -3.681 73 1HD1 LEU 10 2HD1 LEU 10 -3.191 -3.306 -1.423 74 2HD1 LEU 10 1HD1 LEU 10 -3.144 -4.885 -2.207 75 3HD1 LEU 10 3HD1 LEU 10 -1.655 -3.966 -1.989 76 1HD2 LEU 10 3HD2 LEU 10 -3.559 -4.978 -4.624 77 2HD2 LEU 10 2HD2 LEU 10 -2.705 -3.790 -5.612 78 3HD2 LEU 10 1HD2 LEU 10 -1.808 -4.806 -4.483 79 H ARG 11 H ARG 11 -6.751 -3.260 -4.852 80 HA ARG 11 HA ARG 11 -6.211 -5.402 -6.594 81 1HB ARG 11 2HB ARG 11 -8.168 -4.937 -4.841 82 2HB ARG 11 1HB ARG 11 -9.017 -4.452 -6.309 83 1HG ARG 11 2HG ARG 11 -7.921 -6.733 -7.210 84 2HG ARG 11 1HG ARG 11 -8.023 -7.140 -5.497 85 1HD ARG 11 2HD ARG 11 -10.062 -7.799 -6.774 86 2HD ARG 11 1HD ARG 11 -10.404 -6.667 -5.472 87 HE ARG 11 HE ARG 11 -9.941 -5.322 -7.966 88 1HH1 ARG 11 2HH1 ARG 11 -11.973 -4.167 -6.312 89 2HH1 ARG 11 1HH1 ARG 11 -13.472 -4.737 -6.969 90 1HH2 ARG 11 1HH2 ARG 11 -12.012 -7.339 -8.736 91 2HH2 ARG 11 2HH2 ARG 11 -13.493 -6.533 -8.341 92 H ARG 12 H ARG 12 -8.325 -2.586 -7.169 93 HA ARG 12 HA ARG 12 -8.926 -3.054 -9.832 94 1HB ARG 12 2HB ARG 12 -9.636 -1.138 -8.107 95 2HB ARG 12 1HB ARG 12 -8.455 -0.227 -9.048 96 1HG ARG 12 2HG ARG 12 -9.654 -0.496 -11.053 97 2HG ARG 12 1HG ARG 12 -10.568 -1.870 -10.429 98 1HD ARG 12 2HD ARG 12 -11.875 -0.468 -8.999 99 2HD ARG 12 1HD ARG 12 -10.817 0.912 -9.275 100 HE ARG 12 HE ARG 12 -11.720 1.054 -11.530 101 1HH1 ARG 12 2HH1 ARG 12 -13.839 0.361 -9.100 102 2HH1 ARG 12 1HH1 ARG 12 -15.079 -0.341 -10.086 103 1HH2 ARG 12 1HH2 ARG 12 -13.100 -0.499 -12.929 104 2HH2 ARG 12 2HH2 ARG 12 -14.662 -0.827 -12.253 105 H ALA 13 H ALA 13 -5.924 -1.945 -8.484 106 HA ALA 13 HA ALA 13 -4.932 -0.808 -10.949 107 1HB ALA 13 3HB ALA 13 -3.680 -1.438 -8.282 108 2HB ALA 13 2HB ALA 13 -2.713 -0.902 -9.655 109 3HB ALA 13 1HB ALA 13 -3.979 0.141 -9.009 110 H LEU 14 H LEU 14 -4.566 -3.842 -9.177 111 HA LEU 14 HA LEU 14 -2.587 -4.923 -10.951 112 1HB LEU 14 2HB LEU 14 -4.183 -5.931 -8.649 113 2HB LEU 14 1HB LEU 14 -3.502 -7.124 -9.757 114 HG LEU 14 HG LEU 14 -1.764 -4.889 -8.756 115 1HD1 LEU 14 1HD1 LEU 14 -3.034 -6.159 -6.850 116 2HD1 LEU 14 3HD1 LEU 14 -1.958 -7.493 -7.263 117 3HD1 LEU 14 2HD1 LEU 14 -1.287 -5.954 -6.725 118 1HD2 LEU 14 2HD2 LEU 14 -1.270 -6.776 -10.558 119 2HD2 LEU 14 1HD2 LEU 14 -0.027 -6.287 -9.407 120 3HD2 LEU 14 3HD2 LEU 14 -0.963 -7.754 -9.123 121 H VAL 15 H VAL 15 -6.044 -4.717 -11.042 122 HA VAL 15 HA VAL 15 -6.320 -6.947 -12.901 123 HB VAL 15 HB VAL 15 -8.402 -4.917 -12.055 124 1HG1 VAL 15 2HG1 VAL 15 -8.474 -7.585 -13.472 125 2HG1 VAL 15 1HG1 VAL 15 -9.896 -6.925 -12.665 126 3HG1 VAL 15 3HG1 VAL 15 -9.156 -6.047 -14.003 127 1HG2 VAL 15 3HG2 VAL 15 -7.244 -7.284 -10.695 128 2HG2 VAL 15 2HG2 VAL 15 -8.093 -5.896 -10.013 129 3HG2 VAL 15 1HG2 VAL 15 -9.007 -7.225 -10.726 130 H GLU 16 H GLU 16 -6.794 -3.420 -12.938 131 HA GLU 16 HA GLU 16 -7.451 -3.168 -15.658 132 1HB GLU 16 2HB GLU 16 -6.209 -1.267 -13.675 133 2HB GLU 16 1HB GLU 16 -6.506 -0.794 -15.349 134 1HG GLU 16 2HG GLU 16 -8.913 -1.739 -14.906 135 2HG GLU 16 1HG GLU 16 -8.489 -1.513 -13.208 136 H CYS 17 H CYS 17 -4.366 -3.487 -14.035 137 HA CYS 17 HA CYS 17 -2.857 -2.841 -16.445 138 1HB CYS 17 2HB CYS 17 -2.026 -3.716 -13.674 139 2HB CYS 17 1HB CYS 17 -0.883 -3.469 -14.994 140 HG CYS 17 HG CYS 17 -1.607 -1.266 -13.348 141 H ALA 18 H ALA 18 -4.041 -5.651 -14.754 142 HA ALA 18 HA ALA 18 -2.359 -7.444 -16.359 143 1HB ALA 18 1HB ALA 18 -2.598 -7.920 -13.948 144 2HB ALA 18 3HB ALA 18 -4.341 -8.084 -14.163 145 3HB ALA 18 2HB ALA 18 -3.246 -9.228 -14.938 146 H GLY 19 H GLY 19 -4.199 -5.970 -17.837 147 1HA GLY 19 2HA GLY 19 -5.637 -6.371 -19.606 148 2HA GLY 19 1HA GLY 19 -5.625 -8.076 -19.167 149 H GLU 20 H GLU 20 -7.590 -8.798 -18.727 150 HA GLU 20 HA GLU 20 -9.374 -7.139 -17.063 151 1HB GLU 20 2HB GLU 20 -11.295 -7.880 -18.457 152 2HB GLU 20 1HB GLU 20 -10.152 -6.866 -19.336 153 1HG GLU 20 2HG GLU 20 -9.068 -8.935 -20.229 154 2HG GLU 20 1HG GLU 20 -10.327 -9.889 -19.445 155 H THR 21 H THR 21 -7.867 -9.013 -15.947 156 HA THR 21 HA THR 21 -9.693 -10.716 -14.669 157 HB THR 21 HB THR 21 -9.816 -12.082 -16.623 158 HG1 THR 21 HG1 THR 21 -8.663 -13.972 -15.875 159 1HG2 THR 21 3HG2 THR 21 -7.753 -11.094 -17.688 160 2HG2 THR 21 2HG2 THR 21 -6.791 -12.164 -16.671 161 3HG2 THR 21 1HG2 THR 21 -7.895 -12.842 -17.868 162 H ASP 22 H ASP 22 -8.852 -10.854 -12.739 163 HA ASP 22 HA ASP 22 -5.967 -10.630 -12.360 164 1HB ASP 22 2HB ASP 22 -6.563 -10.487 -9.946 165 2HB ASP 22 1HB ASP 22 -7.366 -9.263 -10.927 166 H GLY 23 H GLY 23 -8.256 -13.137 -12.673 167 1HA GLY 23 2HA GLY 23 -8.162 -15.404 -12.285 168 2HA GLY 23 1HA GLY 23 -6.412 -15.207 -12.284 169 H THR 24 H THR 24 -9.146 -14.366 -10.143 170 HA THR 24 HA THR 24 -8.154 -15.951 -7.983 171 HB THR 24 HB THR 24 -8.060 -12.947 -7.615 172 HG1 THR 24 HG1 THR 24 -5.760 -13.432 -7.410 173 1HG2 THR 24 2HG2 THR 24 -8.630 -14.412 -5.639 174 2HG2 THR 24 1HG2 THR 24 -7.056 -15.181 -5.837 175 3HG2 THR 24 3HG2 THR 24 -7.155 -13.465 -5.443 176 H ASP 25 H ASP 25 -9.665 -16.169 -6.389 177 HA ASP 25 HA ASP 25 -12.356 -15.278 -7.063 178 1HB ASP 25 2HB ASP 25 -11.482 -17.658 -6.147 179 2HB ASP 25 1HB ASP 25 -11.881 -16.885 -4.613 180 H LEU 26 H LEU 26 -11.983 -13.079 -6.588 181 HA LEU 26 HA LEU 26 -11.095 -11.944 -4.225 182 1HB LEU 26 2HB LEU 26 -13.037 -11.040 -6.326 183 2HB LEU 26 1HB LEU 26 -12.812 -10.074 -4.870 184 HG LEU 26 HG LEU 26 -11.323 -9.315 -6.685 185 1HD1 LEU 26 1HD1 LEU 26 -10.662 -9.466 -4.143 186 2HD1 LEU 26 3HD1 LEU 26 -9.518 -10.681 -4.713 187 3HD1 LEU 26 2HD1 LEU 26 -9.440 -9.035 -5.339 188 1HD2 LEU 26 2HD2 LEU 26 -11.126 -11.615 -7.737 189 2HD2 LEU 26 1HD2 LEU 26 -9.605 -10.732 -7.602 190 3HD2 LEU 26 3HD2 LEU 26 -9.980 -12.022 -6.459 191 H SER 27 H SER 27 -11.793 -13.117 -2.468 192 HA SER 27 HA SER 27 -14.631 -12.706 -1.728 193 1HB SER 27 2HB SER 27 -14.223 -15.087 -2.102 194 2HB SER 27 1HB SER 27 -12.835 -15.041 -1.020 195 HG SER 27 HG SER 27 -14.472 -15.690 0.255 196 H GLY 28 H GLY 28 -12.408 -10.930 -1.260 197 1HA GLY 28 2HA GLY 28 -12.078 -9.490 0.593 198 2HA GLY 28 1HA GLY 28 -12.572 -10.797 1.667 199 H ASP 29 H ASP 29 -10.244 -9.169 1.973 200 HA ASP 29 HA ASP 29 -8.075 -9.429 2.668 201 1HB ASP 29 2HB ASP 29 -9.067 -12.160 2.614 202 2HB ASP 29 1HB ASP 29 -7.365 -12.103 2.161 203 H PHE 30 H PHE 30 -7.916 -12.019 0.247 204 HA PHE 30 HA PHE 30 -6.492 -12.286 -1.534 205 1HB PHE 30 2HB PHE 30 -6.896 -10.759 -3.367 206 2HB PHE 30 1HB PHE 30 -8.404 -11.085 -2.527 207 HD1 PHE 30 HD1 PHE 30 -5.817 -8.549 -3.228 208 HD2 PHE 30 HD2 PHE 30 -9.518 -9.353 -1.198 209 HE1 PHE 30 HE1 PHE 30 -6.155 -6.121 -2.892 210 HE2 PHE 30 HE2 PHE 30 -9.856 -6.921 -0.861 211 HZ PHE 30 HZ PHE 30 -8.177 -5.305 -1.708 212 H LEU 31 H LEU 31 -5.270 -11.003 0.822 213 HA LEU 31 HA LEU 31 -2.997 -9.775 -0.594 214 1HB LEU 31 2HB LEU 31 -4.322 -8.747 1.916 215 2HB LEU 31 1HB LEU 31 -2.722 -8.233 1.378 216 HG LEU 31 HG LEU 31 -4.908 -8.166 -0.644 217 1HD1 LEU 31 3HD1 LEU 31 -5.541 -7.122 1.778 218 2HD1 LEU 31 2HD1 LEU 31 -4.714 -5.745 1.049 219 3HD1 LEU 31 1HD1 LEU 31 -6.116 -6.458 0.249 220 1HD2 LEU 31 3HD2 LEU 31 -2.252 -7.150 -0.309 221 2HD2 LEU 31 2HD2 LEU 31 -3.310 -6.992 -1.709 222 3HD2 LEU 31 1HD2 LEU 31 -3.343 -5.772 -0.438 223 H ASP 32 H ASP 32 -3.686 -12.471 0.723 224 HA ASP 32 HA ASP 32 -1.489 -12.572 2.689 225 1HB ASP 32 2HB ASP 32 -3.759 -14.481 2.084 226 2HB ASP 32 1HB ASP 32 -2.413 -14.887 3.149 227 H LEU 33 H LEU 33 -2.701 -13.872 -0.327 228 HA LEU 33 HA LEU 33 -0.007 -14.705 -1.082 229 1HB LEU 33 2HB LEU 33 -2.360 -16.578 -0.850 230 2HB LEU 33 1HB LEU 33 -1.049 -16.891 -1.986 231 HG LEU 33 HG LEU 33 -0.590 -16.365 0.959 232 1HD1 LEU 33 1HD1 LEU 33 -1.951 -18.415 0.633 233 2HD1 LEU 33 3HD1 LEU 33 -0.742 -19.022 -0.496 234 3HD1 LEU 33 2HD1 LEU 33 -0.325 -18.794 1.202 235 1HD2 LEU 33 2HD2 LEU 33 1.096 -17.314 -1.362 236 2HD2 LEU 33 1HD2 LEU 33 1.402 -15.964 -0.270 237 3HD2 LEU 33 3HD2 LEU 33 1.571 -17.621 0.308 238 H ARG 34 H ARG 34 -0.739 -12.607 -2.198 239 HA ARG 34 HA ARG 34 -2.468 -13.111 -4.517 240 1HB ARG 34 2HB ARG 34 -2.830 -11.058 -3.154 241 2HB ARG 34 1HB ARG 34 -1.215 -10.508 -3.597 242 1HG ARG 34 2HG ARG 34 -2.600 -9.447 -5.180 243 2HG ARG 34 1HG ARG 34 -2.009 -10.863 -6.049 244 1HD ARG 34 2HD ARG 34 -4.055 -12.078 -5.565 245 2HD ARG 34 1HD ARG 34 -4.634 -10.768 -4.543 246 HE ARG 34 HE ARG 34 -5.446 -9.803 -6.477 247 1HH1 ARG 34 2HH1 ARG 34 -2.533 -9.405 -7.459 248 2HH1 ARG 34 1HH1 ARG 34 -2.627 -10.107 -9.040 249 1HH2 ARG 34 1HH2 ARG 34 -5.633 -11.725 -8.430 250 2HH2 ARG 34 2HH2 ARG 34 -4.382 -11.420 -9.589 251 H PHE 35 H PHE 35 0.683 -11.518 -3.922 252 HA PHE 35 HA PHE 35 1.499 -11.559 -6.627 253 1HB PHE 35 2HB PHE 35 2.888 -11.162 -4.010 254 2HB PHE 35 1HB PHE 35 3.873 -11.478 -5.435 255 HD1 PHE 35 HD1 PHE 35 0.615 -9.640 -5.275 256 HD2 PHE 35 HD2 PHE 35 4.869 -9.352 -5.866 257 HE1 PHE 35 HE1 PHE 35 0.368 -7.272 -5.963 258 HE2 PHE 35 HE2 PHE 35 4.604 -6.989 -6.553 259 HZ PHE 35 HZ PHE 35 2.368 -5.954 -6.599 260 H GLU 36 H GLU 36 2.584 -13.614 -3.917 261 HA GLU 36 HA GLU 36 3.733 -15.538 -5.773 262 1HB GLU 36 2HB GLU 36 3.567 -15.479 -2.751 263 2HB GLU 36 1HB GLU 36 4.354 -16.761 -3.674 264 1HG GLU 36 2HG GLU 36 5.109 -13.914 -4.230 265 2HG GLU 36 1HG GLU 36 5.759 -14.701 -2.792 266 H ASP 37 H ASP 37 1.613 -15.972 -6.774 267 HA ASP 37 HA ASP 37 0.435 -18.346 -5.606 268 1HB ASP 37 2HB ASP 37 -0.837 -16.456 -4.546 269 2HB ASP 37 1HB ASP 37 -1.370 -15.985 -6.159 270 H ILE 38 H ILE 38 -0.544 -15.860 -7.974 271 HA ILE 38 HA ILE 38 -1.196 -17.906 -9.916 272 HB ILE 38 HB ILE 38 -1.978 -16.102 -11.317 273 1HG1 ILE 38 2HG1 ILE 38 -0.778 -14.180 -9.292 274 2HG1 ILE 38 1HG1 ILE 38 -0.049 -14.545 -10.856 275 1HG2 ILE 38 2HG2 ILE 38 -3.031 -16.727 -8.897 276 2HG2 ILE 38 1HG2 ILE 38 -2.774 -14.994 -8.681 277 3HG2 ILE 38 3HG2 ILE 38 -3.777 -15.580 -10.010 278 1HD1 ILE 38 1HD1 ILE 38 -2.831 -13.902 -11.248 279 2HD1 ILE 38 3HD1 ILE 38 -2.067 -12.628 -10.298 280 3HD1 ILE 38 2HD1 ILE 38 -1.409 -13.068 -11.871 281 H GLY 39 H GLY 39 1.524 -15.888 -9.189 282 1HA GLY 39 2HA GLY 39 3.538 -17.034 -10.411 283 2HA GLY 39 1HA GLY 39 2.731 -16.364 -11.823 284 H TYR 40 H TYR 40 1.915 -14.070 -9.792 285 HA TYR 40 HA TYR 40 3.773 -12.167 -10.674 286 1HB TYR 40 2HB TYR 40 1.730 -12.226 -8.482 287 2HB TYR 40 1HB TYR 40 2.870 -10.884 -8.568 288 HD1 TYR 40 HD2 TYR 40 3.194 -9.858 -11.002 289 HD2 TYR 40 HD1 TYR 40 -0.255 -12.071 -9.697 290 HE1 TYR 40 HE2 TYR 40 1.846 -8.823 -12.808 291 HE2 TYR 40 HE1 TYR 40 -1.601 -11.028 -11.504 292 HH TYR 40 HH TYR 40 -0.245 -9.408 -14.105 293 H ASP 41 H ASP 41 5.884 -12.883 -10.303 294 HA ASP 41 HA ASP 41 6.715 -13.231 -7.502 295 1HB ASP 41 2HB ASP 41 8.881 -13.969 -8.483 296 2HB ASP 41 1HB ASP 41 7.520 -14.944 -9.030 297 H SER 42 H SER 42 7.388 -11.333 -10.398 298 HA SER 42 HA SER 42 7.781 -8.889 -9.142 299 1HB SER 42 2HB SER 42 9.736 -9.692 -8.017 300 2HB SER 42 1HB SER 42 10.345 -10.461 -9.480 301 HG SER 42 HG SER 42 9.879 -7.672 -9.223 302 H LEU 43 H LEU 43 8.999 -11.017 -11.690 303 HA LEU 43 HA LEU 43 9.633 -8.992 -13.567 304 1HB LEU 43 2HB LEU 43 9.111 -11.936 -13.731 305 2HB LEU 43 1HB LEU 43 9.176 -10.991 -15.220 306 HG LEU 43 HG LEU 43 11.384 -10.025 -14.273 307 1HD1 LEU 43 1HD1 LEU 43 11.019 -12.501 -12.560 308 2HD1 LEU 43 3HD1 LEU 43 12.549 -11.645 -12.749 309 3HD1 LEU 43 2HD1 LEU 43 11.175 -10.839 -11.992 310 1HD2 LEU 43 3HD2 LEU 43 11.198 -12.947 -15.078 311 2HD2 LEU 43 2HD2 LEU 43 11.267 -11.577 -16.186 312 3HD2 LEU 43 1HD2 LEU 43 12.655 -11.956 -15.165 313 H ALA 44 H ALA 44 6.695 -10.890 -12.990 314 HA ALA 44 HA ALA 44 5.200 -9.996 -15.200 315 1HB ALA 44 3HB ALA 44 4.243 -10.813 -12.446 316 2HB ALA 44 2HB ALA 44 3.210 -10.632 -13.864 317 3HB ALA 44 1HB ALA 44 4.457 -11.879 -13.835 318 H LEU 45 H LEU 45 5.071 -8.859 -11.825 319 HA LEU 45 HA LEU 45 3.510 -6.546 -12.494 320 1HB LEU 45 2HB LEU 45 3.965 -5.873 -10.135 321 2HB LEU 45 1HB LEU 45 3.283 -7.486 -10.300 322 HG LEU 45 HG LEU 45 6.071 -7.864 -10.455 323 1HD1 LEU 45 3HD1 LEU 45 5.507 -5.456 -8.981 324 2HD1 LEU 45 2HD1 LEU 45 6.076 -6.693 -7.862 325 3HD1 LEU 45 1HD1 LEU 45 7.060 -6.243 -9.253 326 1HD2 LEU 45 1HD2 LEU 45 3.839 -8.473 -8.597 327 2HD2 LEU 45 3HD2 LEU 45 5.040 -9.552 -9.303 328 3HD2 LEU 45 2HD2 LEU 45 5.452 -8.575 -7.893 329 H MET 46 H MET 46 6.770 -7.211 -12.950 330 HA MET 46 HA MET 46 8.067 -4.847 -12.196 331 1HB MET 46 2HB MET 46 8.853 -7.159 -13.437 332 2HB MET 46 1HB MET 46 8.957 -6.005 -14.763 333 1HG MET 46 2HG MET 46 10.480 -4.616 -13.573 334 2HG MET 46 1HG MET 46 10.147 -5.430 -12.044 335 1HE MET 46 3HE MET 46 12.585 -5.458 -11.670 336 2HE MET 46 2HE MET 46 11.921 -6.980 -11.079 337 3HE MET 46 1HE MET 46 13.453 -6.973 -11.947 338 H GLU 47 H GLU 47 6.688 -5.718 -15.368 339 HA GLU 47 HA GLU 47 7.098 -3.163 -16.539 340 1HB GLU 47 2HB GLU 47 5.447 -5.564 -17.241 341 2HB GLU 47 1HB GLU 47 5.201 -4.052 -18.117 342 1HG GLU 47 2HG GLU 47 6.874 -4.973 -19.418 343 2HG GLU 47 1HG GLU 47 7.865 -4.114 -18.238 344 H THR 48 H THR 48 4.569 -4.500 -14.536 345 HA THR 48 HA THR 48 2.454 -2.760 -15.136 346 HB THR 48 HB THR 48 3.104 -3.833 -12.384 347 HG1 THR 48 HG1 THR 48 1.725 -5.059 -14.538 348 1HG2 THR 48 1HG2 THR 48 0.736 -2.643 -13.741 349 2HG2 THR 48 3HG2 THR 48 0.437 -3.992 -12.644 350 3HG2 THR 48 2HG2 THR 48 1.239 -2.536 -12.054 351 H ALA 49 H ALA 49 5.062 -2.444 -12.740 352 HA ALA 49 HA ALA 49 4.193 0.166 -11.878 353 1HB ALA 49 3HB ALA 49 5.503 -1.484 -10.463 354 2HB ALA 49 2HB ALA 49 6.914 -1.074 -11.439 355 3HB ALA 49 1HB ALA 49 6.121 0.167 -10.469 356 H ALA 50 H ALA 50 6.443 -1.112 -14.235 357 HA ALA 50 HA ALA 50 7.999 1.187 -14.695 358 1HB ALA 50 2HB ALA 50 8.579 -1.025 -15.612 359 2HB ALA 50 1HB ALA 50 7.176 -0.947 -16.679 360 3HB ALA 50 3HB ALA 50 8.504 0.195 -16.883 361 H ARG 51 H ARG 51 4.798 0.272 -15.781 362 HA ARG 51 HA ARG 51 4.637 2.463 -17.692 363 1HB ARG 51 2HB ARG 51 3.450 0.079 -17.736 364 2HB ARG 51 1HB ARG 51 2.216 0.951 -16.824 365 1HG ARG 51 2HG ARG 51 1.557 1.290 -19.057 366 2HG ARG 51 1HG ARG 51 2.451 2.763 -18.680 367 1HD ARG 51 2HD ARG 51 4.011 0.462 -19.750 368 2HD ARG 51 1HD ARG 51 2.957 1.308 -20.877 369 HE ARG 51 HE ARG 51 4.366 3.300 -19.586 370 1HH1 ARG 51 2HH1 ARG 51 4.551 2.303 -22.553 371 2HH1 ARG 51 1HH1 ARG 51 6.267 2.124 -22.705 372 1HH2 ARG 51 1HH2 ARG 51 6.850 2.276 -19.289 373 2HH2 ARG 51 2HH2 ARG 51 7.569 2.109 -20.857 374 H LEU 52 H LEU 52 3.291 1.587 -14.532 375 HA LEU 52 HA LEU 52 1.908 4.154 -14.336 376 1HB LEU 52 2HB LEU 52 1.965 1.661 -12.655 377 2HB LEU 52 1HB LEU 52 1.323 3.166 -12.004 378 HG LEU 52 HG LEU 52 -0.469 1.779 -12.992 379 1HD1 LEU 52 2HD1 LEU 52 -0.396 4.361 -13.126 380 2HD1 LEU 52 1HD1 LEU 52 -0.028 4.126 -14.835 381 3HD1 LEU 52 3HD1 LEU 52 -1.544 3.520 -14.167 382 1HD2 LEU 52 1HD2 LEU 52 1.093 0.747 -14.731 383 2HD2 LEU 52 3HD2 LEU 52 -0.507 1.204 -15.316 384 3HD2 LEU 52 2HD2 LEU 52 0.886 2.230 -15.662 385 H GLU 53 H GLU 53 5.008 3.638 -14.162 386 HA GLU 53 HA GLU 53 5.726 4.432 -11.511 387 1HB GLU 53 2HB GLU 53 7.101 3.811 -14.007 388 2HB GLU 53 1HB GLU 53 7.829 5.195 -13.194 389 1HG GLU 53 2HG GLU 53 7.127 2.787 -11.556 390 2HG GLU 53 1HG GLU 53 8.566 2.723 -12.575 391 H SER 54 H SER 54 5.365 6.132 -14.603 392 HA SER 54 HA SER 54 5.954 8.707 -13.389 393 1HB SER 54 2HB SER 54 5.468 9.599 -15.653 394 2HB SER 54 1HB SER 54 6.679 8.322 -15.680 395 HG SER 54 HG SER 54 4.833 8.236 -17.240 396 H ARG 55 H ARG 55 3.161 6.803 -14.274 397 HA ARG 55 HA ARG 55 1.190 8.795 -14.376 398 1HB ARG 55 2HB ARG 55 0.892 6.356 -14.963 399 2HB ARG 55 1HB ARG 55 0.806 6.022 -13.234 400 1HG ARG 55 2HG ARG 55 -1.429 6.373 -13.537 401 2HG ARG 55 1HG ARG 55 -0.975 8.074 -13.425 402 1HD ARG 55 2HD ARG 55 -0.929 6.609 -16.060 403 2HD ARG 55 1HD ARG 55 -2.406 7.349 -15.451 404 HE ARG 55 HE ARG 55 -0.036 8.745 -16.423 405 1HH1 ARG 55 2HH1 ARG 55 -0.234 10.610 -14.486 406 2HH1 ARG 55 1HH1 ARG 55 -1.663 11.549 -14.760 407 1HH2 ARG 55 1HH2 ARG 55 -3.110 9.215 -16.877 408 2HH2 ARG 55 2HH2 ARG 55 -3.291 10.760 -16.114 409 H TYR 56 H TYR 56 2.805 7.289 -11.658 410 HA TYR 56 HA TYR 56 0.979 8.575 -9.754 411 1HB TYR 56 2HB TYR 56 3.161 6.519 -9.495 412 2HB TYR 56 1HB TYR 56 2.555 7.382 -8.079 413 HD1 TYR 56 HD1 TYR 56 1.250 5.591 -11.111 414 HD2 TYR 56 HD2 TYR 56 0.729 6.480 -6.939 415 HE1 TYR 56 HE1 TYR 56 -0.720 4.086 -11.036 416 HE2 TYR 56 HE2 TYR 56 -1.239 4.974 -6.865 417 HH TYR 56 HH TYR 56 -2.979 4.112 -9.129 418 H GLY 57 H GLY 57 4.511 8.342 -10.262 419 1HA GLY 57 2HA GLY 57 5.754 10.469 -10.486 420 2HA GLY 57 1HA GLY 57 4.731 11.101 -9.202 421 H VAL 58 H VAL 58 5.033 8.245 -7.950 422 HA VAL 58 HA VAL 58 6.973 8.917 -6.045 423 HB VAL 58 HB VAL 58 5.191 7.279 -5.639 424 1HG1 VAL 58 1HG1 VAL 58 6.647 5.767 -7.796 425 2HG1 VAL 58 3HG1 VAL 58 5.714 4.901 -6.576 426 3HG1 VAL 58 2HG1 VAL 58 4.919 6.072 -7.628 427 1HG2 VAL 58 3HG2 VAL 58 7.344 7.218 -4.336 428 2HG2 VAL 58 2HG2 VAL 58 6.499 5.672 -4.399 429 3HG2 VAL 58 1HG2 VAL 58 7.903 5.951 -5.428 430 H SER 59 H SER 59 8.993 7.818 -5.592 431 HA SER 59 HA SER 59 10.395 6.822 -7.995 432 1HB SER 59 2HB SER 59 12.366 8.127 -7.417 433 2HB SER 59 1HB SER 59 10.988 9.208 -7.608 434 HG SER 59 HG SER 59 12.489 8.622 -5.394 435 H ILE 60 H ILE 60 10.951 4.798 -7.555 436 HA ILE 60 HA ILE 60 12.236 4.218 -4.966 437 HB ILE 60 HB ILE 60 11.025 2.025 -4.912 438 1HG1 ILE 60 2HG1 ILE 60 8.927 3.144 -6.704 439 2HG1 ILE 60 1HG1 ILE 60 10.382 2.524 -7.487 440 1HG2 ILE 60 3HG2 ILE 60 10.317 4.268 -3.754 441 2HG2 ILE 60 2HG2 ILE 60 8.995 4.244 -4.921 442 3HG2 ILE 60 1HG2 ILE 60 9.184 2.916 -3.774 443 1HD1 ILE 60 2HD1 ILE 60 10.111 0.397 -6.193 444 2HD1 ILE 60 1HD1 ILE 60 8.581 1.017 -5.571 445 3HD1 ILE 60 3HD1 ILE 60 8.772 0.713 -7.296 446 HA PRO 61 HA PRO 61 15.076 2.012 -7.530 447 1HB PRO 61 2HB PRO 61 16.055 0.162 -5.774 448 2HB PRO 61 1HB PRO 61 16.459 1.884 -5.717 449 1HG PRO 61 2HG PRO 61 14.682 0.310 -3.946 450 2HG PRO 61 1HG PRO 61 15.594 1.786 -3.606 451 1HD PRO 61 2HD PRO 61 12.820 1.620 -4.156 452 2HD PRO 61 1HD PRO 61 13.795 3.106 -4.095 453 H ASP 62 H ASP 62 15.889 -0.566 -7.623 454 HA ASP 62 HA ASP 62 13.483 -1.967 -8.575 455 1HB ASP 62 2HB ASP 62 16.305 -1.855 -9.404 456 2HB ASP 62 1HB ASP 62 15.609 -3.474 -9.426 457 H ASP 63 H ASP 63 15.489 -1.977 -5.868 458 HA ASP 63 HA ASP 63 15.519 -4.843 -5.460 459 1HB ASP 63 2HB ASP 63 17.299 -3.235 -4.609 460 2HB ASP 63 1HB ASP 63 16.121 -2.723 -3.399 461 H VAL 64 H VAL 64 13.806 -2.047 -4.084 462 HA VAL 64 HA VAL 64 12.314 -3.575 -2.199 463 HB VAL 64 HB VAL 64 12.686 -1.137 -1.974 464 1HG1 VAL 64 3HG1 VAL 64 12.373 -0.608 -4.408 465 2HG1 VAL 64 2HG1 VAL 64 10.641 -0.862 -4.192 466 3HG1 VAL 64 1HG1 VAL 64 11.454 0.443 -3.331 467 1HG2 VAL 64 3HG2 VAL 64 10.715 -2.406 -0.936 468 2HG2 VAL 64 2HG2 VAL 64 10.544 -0.654 -1.049 469 3HG2 VAL 64 1HG2 VAL 64 9.725 -1.697 -2.211 470 H ALA 65 H ALA 65 11.564 -2.342 -5.443 471 HA ALA 65 HA ALA 65 8.926 -3.547 -5.429 472 1HB ALA 65 1HB ALA 65 9.319 -1.450 -6.657 473 2HB ALA 65 3HB ALA 65 10.485 -2.274 -7.693 474 3HB ALA 65 2HB ALA 65 8.782 -2.731 -7.745 475 H GLY 66 H GLY 66 11.981 -4.066 -7.175 476 1HA GLY 66 2HA GLY 66 11.192 -6.286 -8.692 477 2HA GLY 66 1HA GLY 66 12.847 -5.926 -8.223 478 H ARG 67 H ARG 67 11.960 -6.027 -5.308 479 HA ARG 67 HA ARG 67 11.891 -8.978 -5.088 480 1HB ARG 67 2HB ARG 67 13.991 -7.570 -4.339 481 2HB ARG 67 1HB ARG 67 13.006 -7.251 -2.911 482 1HG ARG 67 2HG ARG 67 14.171 -9.211 -2.328 483 2HG ARG 67 1HG ARG 67 12.611 -9.820 -2.882 484 1HD ARG 67 2HD ARG 67 13.526 -10.332 -5.070 485 2HD ARG 67 1HD ARG 67 15.058 -9.576 -4.649 486 HE ARG 67 HE ARG 67 14.198 -12.231 -3.924 487 1HH1 ARG 67 1HH2 ARG 67 14.806 -11.050 -1.266 488 2HH1 ARG 67 2HH2 ARG 67 16.512 -11.299 -1.108 489 1HH2 ARG 67 2HH1 ARG 67 17.007 -11.898 -4.486 490 2HH2 ARG 67 1HH1 ARG 67 17.758 -11.779 -2.930 491 H VAL 68 H VAL 68 9.481 -7.679 -5.277 492 HA VAL 68 HA VAL 68 8.524 -7.351 -2.517 493 HB VAL 68 HB VAL 68 7.893 -5.611 -4.179 494 1HG1 VAL 68 3HG1 VAL 68 7.695 -7.332 -6.091 495 2HG1 VAL 68 2HG1 VAL 68 6.094 -7.684 -5.443 496 3HG1 VAL 68 1HG1 VAL 68 6.472 -6.063 -6.022 497 1HG2 VAL 68 2HG2 VAL 68 6.463 -6.211 -2.190 498 2HG2 VAL 68 1HG2 VAL 68 5.568 -5.495 -3.531 499 3HG2 VAL 68 3HG2 VAL 68 5.507 -7.237 -3.259 500 H ASP 69 H ASP 69 7.882 -9.132 -1.528 501 HA ASP 69 HA ASP 69 6.633 -11.278 -3.128 502 1HB ASP 69 2HB ASP 69 8.125 -11.301 -0.511 503 2HB ASP 69 1HB ASP 69 7.103 -12.650 -1.007 504 H THR 70 H THR 70 5.447 -8.720 -1.769 505 HA THR 70 HA THR 70 3.141 -10.144 -0.642 506 HB THR 70 HB THR 70 3.133 -8.017 0.995 507 HG1 THR 70 HG1 THR 70 5.274 -7.656 1.664 508 1HG2 THR 70 2HG2 THR 70 3.005 -10.410 1.634 509 2HG2 THR 70 1HG2 THR 70 4.757 -10.532 1.468 510 3HG2 THR 70 3HG2 THR 70 4.060 -9.497 2.713 511 HA PRO 71 HA PRO 71 1.083 -7.132 -3.180 512 1HB PRO 71 2HB PRO 71 -1.468 -7.487 -2.278 513 2HB PRO 71 1HB PRO 71 -0.632 -8.634 -3.332 514 1HG PRO 71 2HG PRO 71 -1.264 -8.854 -0.449 515 2HG PRO 71 1HG PRO 71 -1.015 -10.131 -1.647 516 1HD PRO 71 2HD PRO 71 0.855 -9.242 0.297 517 2HD PRO 71 1HD PRO 71 1.178 -10.345 -1.061 518 H ARG 72 H ARG 72 -0.046 -7.135 0.212 519 HA ARG 72 HA ARG 72 -1.006 -4.491 0.274 520 1HB ARG 72 2HB ARG 72 -1.387 -6.294 2.017 521 2HB ARG 72 1HB ARG 72 0.231 -5.935 2.621 522 1HG ARG 72 2HG ARG 72 -0.842 -4.400 3.916 523 2HG ARG 72 1HG ARG 72 -0.827 -3.418 2.451 524 1HD ARG 72 2HD ARG 72 -3.092 -3.557 3.462 525 2HD ARG 72 1HD ARG 72 -3.044 -4.234 1.839 526 HE ARG 72 HE ARG 72 -3.743 -6.216 2.794 527 1HH1 ARG 72 1HH2 ARG 72 -1.332 -7.057 4.158 528 2HH1 ARG 72 2HH2 ARG 72 -1.753 -7.040 5.838 529 1HH2 ARG 72 2HH1 ARG 72 -4.550 -5.041 5.389 530 2HH2 ARG 72 1HH1 ARG 72 -3.575 -5.899 6.535 531 H GLU 73 H GLU 73 2.237 -5.734 0.348 532 HA GLU 73 HA GLU 73 3.567 -3.656 1.686 533 1HB GLU 73 2HB GLU 73 4.560 -5.868 0.972 534 2HB GLU 73 1HB GLU 73 4.675 -5.204 -0.659 535 1HG GLU 73 2HG GLU 73 5.777 -3.596 1.613 536 2HG GLU 73 1HG GLU 73 6.704 -4.980 1.035 537 H LEU 74 H LEU 74 3.395 -4.131 -1.856 538 HA LEU 74 HA LEU 74 4.448 -1.685 -2.609 539 1HB LEU 74 2HB LEU 74 3.210 -1.963 -4.756 540 2HB LEU 74 1HB LEU 74 4.118 -3.391 -4.270 541 HG LEU 74 HG LEU 74 1.353 -3.335 -3.251 542 1HD1 LEU 74 2HD1 LEU 74 1.954 -3.326 -6.213 543 2HD1 LEU 74 1HD1 LEU 74 0.504 -4.086 -5.557 544 3HD1 LEU 74 3HD1 LEU 74 0.767 -2.355 -5.342 545 1HD2 LEU 74 1HD2 LEU 74 3.234 -5.273 -4.587 546 2HD2 LEU 74 3HD2 LEU 74 2.485 -5.386 -2.996 547 3HD2 LEU 74 2HD2 LEU 74 1.521 -5.659 -4.441 548 H LEU 75 H LEU 75 1.198 -2.418 -1.533 549 HA LEU 75 HA LEU 75 -0.124 -0.076 -2.385 550 1HB LEU 75 2HB LEU 75 -1.360 -1.970 -1.465 551 2HB LEU 75 1HB LEU 75 -0.578 -1.765 0.094 552 HG LEU 75 HG LEU 75 -1.598 0.609 0.097 553 1HD1 LEU 75 2HD1 LEU 75 -2.246 0.102 -2.465 554 2HD1 LEU 75 1HD1 LEU 75 -3.721 -0.471 -1.686 555 3HD1 LEU 75 3HD1 LEU 75 -3.186 1.193 -1.448 556 1HD2 LEU 75 2HD2 LEU 75 -2.401 -1.633 1.250 557 2HD2 LEU 75 1HD2 LEU 75 -3.422 -0.195 1.284 558 3HD2 LEU 75 3HD2 LEU 75 -3.745 -1.478 0.119 559 H ASP 76 H ASP 76 1.341 -0.803 0.790 560 HA ASP 76 HA ASP 76 1.067 1.774 1.874 561 1HB ASP 76 2HB ASP 76 1.827 -0.522 2.950 562 2HB ASP 76 1HB ASP 76 3.438 0.113 2.610 563 H LEU 77 H LEU 77 3.398 0.472 -0.369 564 HA LEU 77 HA LEU 77 5.500 2.310 -0.017 565 1HB LEU 77 2HB LEU 77 5.586 0.214 -1.409 566 2HB LEU 77 1HB LEU 77 4.649 1.065 -2.637 567 HG LEU 77 HG LEU 77 6.763 2.819 -1.934 568 1HD1 LEU 77 2HD1 LEU 77 7.637 0.415 -1.097 569 2HD1 LEU 77 1HD1 LEU 77 8.070 0.287 -2.802 570 3HD1 LEU 77 3HD1 LEU 77 8.711 1.608 -1.826 571 1HD2 LEU 77 3HD2 LEU 77 5.555 2.207 -4.181 572 2HD2 LEU 77 2HD2 LEU 77 7.236 2.734 -4.228 573 3HD2 LEU 77 1HD2 LEU 77 6.847 1.018 -4.345 574 H ILE 78 H ILE 78 3.086 2.320 -2.644 575 HA ILE 78 HA ILE 78 3.622 4.915 -3.569 576 HB ILE 78 HB ILE 78 0.997 3.404 -3.664 577 1HG1 ILE 78 2HG1 ILE 78 2.867 2.100 -4.606 578 2HG1 ILE 78 1HG1 ILE 78 1.784 2.647 -5.884 579 1HG2 ILE 78 1HG2 ILE 78 0.862 5.845 -4.200 580 2HG2 ILE 78 3HG2 ILE 78 2.047 5.589 -5.481 581 3HG2 ILE 78 2HG2 ILE 78 0.469 4.808 -5.572 582 1HD1 ILE 78 3HD1 ILE 78 3.344 4.621 -6.221 583 2HD1 ILE 78 2HD1 ILE 78 4.472 3.824 -5.124 584 3HD1 ILE 78 1HD1 ILE 78 4.031 3.053 -6.648 585 H ASN 79 H ASN 79 1.528 3.753 -1.035 586 HA ASN 79 HA ASN 79 -0.112 5.909 -0.507 587 1HB ASN 79 2HB ASN 79 0.370 3.511 0.704 588 2HB ASN 79 1HB ASN 79 1.036 4.625 1.895 589 1HD2 ASN 79 2HD2 ASN 79 -2.867 4.125 1.892 590 2HD2 ASN 79 1HD2 ASN 79 -1.724 3.007 1.323 591 H GLY 80 H GLY 80 3.065 5.273 0.989 592 1HA GLY 80 2HA GLY 80 3.197 7.776 2.343 593 2HA GLY 80 1HA GLY 80 4.541 6.670 2.082 594 H ALA 81 H ALA 81 4.147 6.682 -0.845 595 HA ALA 81 HA ALA 81 5.939 8.749 -1.523 596 1HB ALA 81 3HB ALA 81 5.543 6.630 -2.835 597 2HB ALA 81 2HB ALA 81 4.049 7.356 -3.427 598 3HB ALA 81 1HB ALA 81 5.601 8.100 -3.808 599 H LEU 82 H LEU 82 2.440 8.606 -1.453 600 HA LEU 82 HA LEU 82 2.056 11.034 -2.961 601 1HB LEU 82 2HB LEU 82 0.143 9.527 -1.161 602 2HB LEU 82 1HB LEU 82 -0.296 10.833 -2.263 603 HG LEU 82 HG LEU 82 1.124 8.345 -3.224 604 1HD1 LEU 82 3HD1 LEU 82 -1.119 7.887 -2.056 605 2HD1 LEU 82 2HD1 LEU 82 -1.860 8.806 -3.366 606 3HD1 LEU 82 1HD1 LEU 82 -0.968 7.326 -3.722 607 1HD2 LEU 82 3HD2 LEU 82 0.859 10.644 -4.508 608 2HD2 LEU 82 2HD2 LEU 82 0.609 9.120 -5.360 609 3HD2 LEU 82 1HD2 LEU 82 -0.778 10.053 -4.797 610 H ALA 83 H ALA 83 2.449 10.161 0.403 611 HA ALA 83 HA ALA 83 1.502 12.627 1.499 612 1HB ALA 83 2HB ALA 83 3.122 10.333 2.564 613 2HB ALA 83 1HB ALA 83 2.941 11.811 3.507 614 3HB ALA 83 3HB ALA 83 1.517 10.877 3.050 615 H GLU 84 H GLU 84 4.587 11.462 0.315 616 HA GLU 84 HA GLU 84 6.089 13.692 1.376 617 1HB GLU 84 2HB GLU 84 7.947 12.780 0.001 618 2HB GLU 84 1HB GLU 84 7.227 11.565 1.056 619 1HG GLU 84 2HG GLU 84 6.015 10.576 -0.749 620 2HG GLU 84 1HG GLU 84 6.365 11.934 -1.819 621 H ALA 85 H ALA 85 4.431 12.899 -1.599 622 HA ALA 85 HA ALA 85 5.642 14.858 -3.261 623 1HB ALA 85 3HB ALA 85 4.106 12.851 -3.901 624 2HB ALA 85 2HB ALA 85 2.788 13.983 -3.599 625 3HB ALA 85 1HB ALA 85 3.994 14.343 -4.834 626 H ALA 86 HN ALA 86 2.899 14.902 -1.054 627 HA ALA 86 HA ALA 86 2.288 17.684 -1.745 628 1HB ALA 86 3HB ALA 86 0.568 15.757 -1.208 629 2HB ALA 86 2HB ALA 86 0.908 16.207 0.462 630 3HB ALA 86 1HB ALA 86 0.262 17.405 -0.660 No H/Q in entry = 630 Start of MODEL 22 1 1H MET 1 2H MET 1 -4.014 16.066 4.874 2 2H MET 1 1H MET 1 -4.317 15.625 6.487 3 3H MET 1 3H MET 1 -2.765 16.130 6.026 4 HA MET 1 HA MET 1 -2.293 14.182 4.904 5 1HB MET 1 2HB MET 1 -2.501 13.894 7.394 6 2HB MET 1 1HB MET 1 -4.146 13.311 7.140 7 1HG MET 1 2HG MET 1 -3.306 11.482 5.737 8 2HG MET 1 1HG MET 1 -1.657 12.077 5.924 9 1HE MET 1 3HE MET 1 -3.511 9.315 6.680 10 2HE MET 1 2HE MET 1 -3.791 9.124 8.409 11 3HE MET 1 1HE MET 1 -4.702 10.331 7.505 12 H ALA 2 H ALA 2 -3.321 14.230 2.874 13 HA ALA 2 HA ALA 2 -5.994 12.990 2.717 14 1HB ALA 2 3HB ALA 2 -4.395 14.510 0.643 15 2HB ALA 2 2HB ALA 2 -5.984 13.798 0.368 16 3HB ALA 2 1HB ALA 2 -5.796 15.109 1.531 17 H THR 3 H THR 3 -6.367 11.162 1.499 18 HA THR 3 HA THR 3 -3.961 9.587 0.844 19 HB THR 3 HB THR 3 -6.808 8.605 1.122 20 HG1 THR 3 HG1 THR 3 -6.485 8.600 3.183 21 1HG2 THR 3 1HG2 THR 3 -4.891 7.323 -0.144 22 2HG2 THR 3 3HG2 THR 3 -4.308 6.986 1.487 23 3HG2 THR 3 2HG2 THR 3 -5.918 6.456 0.998 24 H LEU 4 H LEU 4 -3.425 9.271 -1.204 25 HA LEU 4 HA LEU 4 -5.272 10.079 -3.322 26 1HB LEU 4 2HB LEU 4 -2.337 9.476 -3.176 27 2HB LEU 4 1HB LEU 4 -3.156 9.387 -4.733 28 HG LEU 4 HG LEU 4 -2.183 11.628 -4.354 29 1HD1 LEU 4 3HD1 LEU 4 -4.593 11.094 -5.405 30 2HD1 LEU 4 2HD1 LEU 4 -5.107 12.128 -4.072 31 3HD1 LEU 4 1HD1 LEU 4 -3.970 12.739 -5.275 32 1HD2 LEU 4 2HD2 LEU 4 -2.356 11.625 -1.878 33 2HD2 LEU 4 1HD2 LEU 4 -3.081 13.072 -2.577 34 3HD2 LEU 4 3HD2 LEU 4 -4.109 11.756 -2.010 35 H LEU 5 H LEU 5 -3.099 7.297 -2.806 36 HA LEU 5 HA LEU 5 -4.845 5.638 -4.469 37 1HB LEU 5 2HB LEU 5 -2.055 5.714 -3.991 38 2HB LEU 5 1HB LEU 5 -2.624 4.194 -3.305 39 HG LEU 5 HG LEU 5 -3.771 3.679 -5.452 40 1HD1 LEU 5 3HD1 LEU 5 -3.715 6.316 -5.970 41 2HD1 LEU 5 2HD1 LEU 5 -2.250 5.844 -6.828 42 3HD1 LEU 5 1HD1 LEU 5 -3.796 5.111 -7.256 43 1HD2 LEU 5 3HD2 LEU 5 -1.167 3.335 -4.851 44 2HD2 LEU 5 2HD2 LEU 5 -1.857 2.809 -6.387 45 3HD2 LEU 5 1HD2 LEU 5 -0.988 4.341 -6.290 46 H THR 6 H THR 6 -5.837 3.748 -3.738 47 HA THR 6 HA THR 6 -5.905 3.376 -0.805 48 HB THR 6 HB THR 6 -7.934 4.551 -1.331 49 HG1 THR 6 HG1 THR 6 -9.360 3.064 -0.600 50 1HG2 THR 6 1HG2 THR 6 -7.788 2.928 -3.770 51 2HG2 THR 6 3HG2 THR 6 -9.405 2.982 -3.068 52 3HG2 THR 6 2HG2 THR 6 -8.579 4.479 -3.497 53 H THR 7 H THR 7 -6.938 1.247 -0.215 54 HA THR 7 HA THR 7 -5.533 -0.899 -1.353 55 HB THR 7 HB THR 7 -8.114 -0.995 0.235 56 HG1 THR 7 HG1 THR 7 -5.424 -1.185 1.103 57 1HG2 THR 7 3HG2 THR 7 -5.997 -3.046 -0.424 58 2HG2 THR 7 2HG2 THR 7 -7.114 -3.240 0.928 59 3HG2 THR 7 1HG2 THR 7 -7.732 -3.141 -0.721 60 H ASP 8 H ASP 8 -8.768 0.358 -1.951 61 HA ASP 8 HA ASP 8 -9.804 -1.688 -3.564 62 1HB ASP 8 2HB ASP 8 -10.267 1.300 -3.753 63 2HB ASP 8 1HB ASP 8 -11.251 0.073 -4.550 64 H ASP 9 H ASP 9 -7.677 1.012 -4.308 65 HA ASP 9 HA ASP 9 -7.661 0.676 -7.138 66 1HB ASP 9 2HB ASP 9 -6.772 2.657 -5.612 67 2HB ASP 9 1HB ASP 9 -5.265 1.746 -5.703 68 H LEU 10 H LEU 10 -5.821 -0.666 -4.464 69 HA LEU 10 HA LEU 10 -3.683 -1.867 -5.797 70 1HB LEU 10 2HB LEU 10 -4.407 -1.805 -3.234 71 2HB LEU 10 1HB LEU 10 -5.061 -3.392 -3.628 72 HG LEU 10 HG LEU 10 -2.184 -2.496 -4.012 73 1HD1 LEU 10 2HD1 LEU 10 -3.022 -3.026 -1.664 74 2HD1 LEU 10 1HD1 LEU 10 -3.308 -4.673 -2.232 75 3HD1 LEU 10 3HD1 LEU 10 -1.672 -4.012 -2.225 76 1HD2 LEU 10 2HD2 LEU 10 -3.667 -5.019 -4.772 77 2HD2 LEU 10 1HD2 LEU 10 -2.599 -4.035 -5.772 78 3HD2 LEU 10 3HD2 LEU 10 -1.927 -5.032 -4.482 79 H ARG 11 H ARG 11 -6.785 -3.385 -4.910 80 HA ARG 11 HA ARG 11 -6.394 -5.808 -6.254 81 1HB ARG 11 2HB ARG 11 -8.354 -4.809 -4.650 82 2HB ARG 11 1HB ARG 11 -9.174 -4.800 -6.211 83 1HG ARG 11 2HG ARG 11 -8.375 -7.202 -6.506 84 2HG ARG 11 1HG ARG 11 -7.899 -7.159 -4.808 85 1HD ARG 11 2HD ARG 11 -10.149 -6.779 -4.091 86 2HD ARG 11 1HD ARG 11 -10.688 -6.453 -5.735 87 HE ARG 11 HE ARG 11 -9.694 -9.136 -4.977 88 1HH1 ARG 11 1HH2 ARG 11 -12.570 -7.419 -5.068 89 2HH1 ARG 11 2HH2 ARG 11 -13.404 -8.497 -6.135 90 1HH2 ARG 11 2HH1 ARG 11 -10.583 -10.373 -6.875 91 2HH2 ARG 11 1HH1 ARG 11 -12.279 -10.170 -7.158 92 H ARG 12 H ARG 12 -8.095 -2.883 -7.352 93 HA ARG 12 HA ARG 12 -8.866 -3.828 -9.878 94 1HB ARG 12 2HB ARG 12 -9.313 -1.536 -8.529 95 2HB ARG 12 1HB ARG 12 -8.107 -0.967 -9.683 96 1HG ARG 12 2HG ARG 12 -9.623 -2.343 -11.393 97 2HG ARG 12 1HG ARG 12 -10.862 -2.015 -10.180 98 1HD ARG 12 2HD ARG 12 -10.988 -0.165 -11.644 99 2HD ARG 12 1HD ARG 12 -10.056 0.428 -10.275 100 HE ARG 12 HE ARG 12 -8.033 -0.135 -11.739 101 1HH1 ARG 12 1HH2 ARG 12 -9.375 -1.090 -14.165 102 2HH1 ARG 12 2HH2 ARG 12 -9.554 0.338 -15.129 103 1HH2 ARG 12 2HH1 ARG 12 -9.033 2.512 -12.476 104 2HH2 ARG 12 1HH1 ARG 12 -9.362 2.378 -14.172 105 H ALA 13 H ALA 13 -5.743 -2.848 -8.734 106 HA ALA 13 HA ALA 13 -4.679 -2.318 -11.383 107 1HB ALA 13 1HB ALA 13 -3.308 -2.574 -8.698 108 2HB ALA 13 3HB ALA 13 -2.511 -2.096 -10.197 109 3HB ALA 13 2HB ALA 13 -3.767 -1.073 -9.501 110 H LEU 14 H LEU 14 -4.657 -4.939 -9.029 111 HA LEU 14 HA LEU 14 -2.732 -6.517 -10.485 112 1HB LEU 14 2HB LEU 14 -4.433 -6.928 -8.063 113 2HB LEU 14 1HB LEU 14 -3.758 -8.342 -8.874 114 HG LEU 14 HG LEU 14 -1.906 -6.058 -8.404 115 1HD1 LEU 14 3HD1 LEU 14 -3.457 -6.690 -6.290 116 2HD1 LEU 14 2HD1 LEU 14 -2.233 -7.951 -6.131 117 3HD1 LEU 14 1HD1 LEU 14 -1.756 -6.254 -6.124 118 1HD2 LEU 14 3HD2 LEU 14 -1.854 -9.024 -8.668 119 2HD2 LEU 14 2HD2 LEU 14 -0.738 -7.819 -9.310 120 3HD2 LEU 14 1HD2 LEU 14 -0.631 -8.306 -7.619 121 H VAL 15 H VAL 15 -6.151 -6.037 -10.659 122 HA VAL 15 HA VAL 15 -6.623 -8.564 -12.043 123 HB VAL 15 HB VAL 15 -8.544 -6.275 -11.554 124 1HG1 VAL 15 3HG1 VAL 15 -9.137 -7.912 -13.356 125 2HG1 VAL 15 2HG1 VAL 15 -9.034 -9.207 -12.163 126 3HG1 VAL 15 1HG1 VAL 15 -10.259 -7.949 -11.995 127 1HG2 VAL 15 2HG2 VAL 15 -7.420 -7.505 -9.517 128 2HG2 VAL 15 1HG2 VAL 15 -9.168 -7.275 -9.531 129 3HG2 VAL 15 3HG2 VAL 15 -8.481 -8.837 -9.977 130 H GLU 16 H GLU 16 -6.218 -5.153 -12.714 131 HA GLU 16 HA GLU 16 -7.253 -5.025 -15.314 132 1HB GLU 16 2HB GLU 16 -6.190 -3.189 -13.693 133 2HB GLU 16 1HB GLU 16 -4.778 -3.488 -14.707 134 1HG GLU 16 2HG GLU 16 -7.457 -3.068 -15.999 135 2HG GLU 16 1HG GLU 16 -6.537 -1.672 -15.435 136 H CYS 17 H CYS 17 -4.318 -6.465 -14.119 137 HA CYS 17 HA CYS 17 -2.713 -6.443 -16.408 138 1HB CYS 17 2HB CYS 17 -2.958 -8.667 -14.369 139 2HB CYS 17 1HB CYS 17 -1.604 -8.405 -15.468 140 HG CYS 17 HG CYS 17 -0.739 -7.045 -13.561 141 H ALA 18 H ALA 18 -5.303 -8.662 -15.453 142 HA ALA 18 HA ALA 18 -5.146 -9.893 -18.141 143 1HB ALA 18 1HB ALA 18 -6.247 -11.057 -15.571 144 2HB ALA 18 3HB ALA 18 -6.274 -11.854 -17.144 145 3HB ALA 18 2HB ALA 18 -4.734 -11.516 -16.354 146 H GLY 19 H GLY 19 -7.593 -9.517 -15.573 147 1HA GLY 19 2HA GLY 19 -9.353 -7.757 -16.605 148 2HA GLY 19 1HA GLY 19 -9.694 -9.199 -17.558 149 H GLU 20 H GLU 20 -11.838 -8.991 -16.530 150 HA GLU 20 HA GLU 20 -12.271 -9.295 -13.764 151 1HB GLU 20 2HB GLU 20 -13.912 -8.841 -15.851 152 2HB GLU 20 1HB GLU 20 -14.220 -10.561 -15.613 153 1HG GLU 20 2HG GLU 20 -15.787 -9.526 -14.187 154 2HG GLU 20 1HG GLU 20 -14.464 -9.951 -13.101 155 H THR 21 H THR 21 -12.657 -11.079 -12.477 156 HA THR 21 HA THR 21 -12.838 -13.747 -13.334 157 HB THR 21 HB THR 21 -10.555 -13.586 -14.101 158 HG1 THR 21 HG1 THR 21 -10.850 -15.498 -13.115 159 1HG2 THR 21 3HG2 THR 21 -10.051 -11.557 -12.652 160 2HG2 THR 21 2HG2 THR 21 -9.780 -12.683 -11.321 161 3HG2 THR 21 1HG2 THR 21 -8.758 -12.753 -12.757 162 H ASP 22 H ASP 22 -13.878 -14.650 -11.710 163 HA ASP 22 HA ASP 22 -13.492 -13.610 -8.987 164 1HB ASP 22 2HB ASP 22 -15.803 -13.974 -10.185 165 2HB ASP 22 1HB ASP 22 -15.565 -15.652 -9.697 166 H GLY 23 H GLY 23 -11.524 -15.366 -10.282 167 1HA GLY 23 2HA GLY 23 -11.761 -17.761 -8.555 168 2HA GLY 23 1HA GLY 23 -10.870 -17.721 -10.075 169 H THR 24 H THR 24 -10.954 -16.329 -6.814 170 HA THR 24 HA THR 24 -8.018 -16.138 -6.887 171 HB THR 24 HB THR 24 -9.456 -14.241 -5.126 172 HG1 THR 24 HG1 THR 24 -9.478 -13.993 -7.949 173 1HG2 THR 24 1HG2 THR 24 -6.898 -14.514 -5.825 174 2HG2 THR 24 3HG2 THR 24 -7.404 -13.475 -7.157 175 3HG2 THR 24 2HG2 THR 24 -7.592 -12.927 -5.490 176 H ASP 25 H ASP 25 -7.735 -15.377 -4.238 177 HA ASP 25 HA ASP 25 -9.128 -17.323 -2.572 178 1HB ASP 25 2HB ASP 25 -6.212 -17.466 -3.266 179 2HB ASP 25 1HB ASP 25 -6.745 -17.958 -1.658 180 H LEU 26 H LEU 26 -9.795 -14.984 -2.123 181 HA LEU 26 HA LEU 26 -7.911 -13.663 -0.281 182 1HB LEU 26 2HB LEU 26 -10.496 -12.453 -1.244 183 2HB LEU 26 1HB LEU 26 -9.051 -11.639 -0.654 184 HG LEU 26 HG LEU 26 -9.302 -13.152 -3.276 185 1HD1 LEU 26 1HD1 LEU 26 -9.672 -10.344 -2.493 186 2HD1 LEU 26 3HD1 LEU 26 -8.529 -10.549 -3.818 187 3HD1 LEU 26 2HD1 LEU 26 -10.170 -11.175 -3.963 188 1HD2 LEU 26 2HD2 LEU 26 -6.977 -12.090 -1.746 189 2HD2 LEU 26 1HD2 LEU 26 -7.056 -13.441 -2.877 190 3HD2 LEU 26 3HD2 LEU 26 -6.979 -11.787 -3.483 191 H SER 27 H SER 27 -8.202 -14.845 1.570 192 HA SER 27 HA SER 27 -10.908 -14.727 2.768 193 1HB SER 27 2HB SER 27 -8.838 -16.717 3.639 194 2HB SER 27 1HB SER 27 -10.591 -16.797 3.791 195 HG SER 27 HG SER 27 -10.750 -17.227 1.634 196 H GLY 28 H GLY 28 -8.829 -12.682 2.872 197 1HA GLY 28 2HA GLY 28 -8.910 -12.087 5.645 198 2HA GLY 28 1HA GLY 28 -7.311 -12.691 5.218 199 H ASP 29 H ASP 29 -9.748 -10.373 4.034 200 HA ASP 29 HA ASP 29 -9.552 -8.260 3.148 201 1HB ASP 29 2HB ASP 29 -8.316 -8.072 5.448 202 2HB ASP 29 1HB ASP 29 -6.866 -7.970 4.450 203 H PHE 30 H PHE 30 -8.403 -10.567 1.730 204 HA PHE 30 HA PHE 30 -6.903 -11.139 0.071 205 1HB PHE 30 2HB PHE 30 -7.513 -10.094 -1.889 206 2HB PHE 30 1HB PHE 30 -8.848 -9.663 -0.836 207 HD1 PHE 30 HD2 PHE 30 -8.697 -7.342 0.363 208 HD2 PHE 30 HD1 PHE 30 -6.297 -8.457 -3.021 209 HE1 PHE 30 HE2 PHE 30 -8.271 -4.953 -0.123 210 HE2 PHE 30 HE1 PHE 30 -5.877 -6.067 -3.509 211 HZ PHE 30 HZ PHE 30 -6.859 -4.312 -2.062 212 H LEU 31 H LEU 31 -5.505 -9.828 2.245 213 HA LEU 31 HA LEU 31 -3.193 -8.895 0.692 214 1HB LEU 31 2HB LEU 31 -4.382 -7.462 3.075 215 2HB LEU 31 1HB LEU 31 -2.775 -7.128 2.425 216 HG LEU 31 HG LEU 31 -5.239 -7.070 0.681 217 1HD1 LEU 31 2HD1 LEU 31 -4.908 -5.368 2.814 218 2HD1 LEU 31 1HD1 LEU 31 -4.122 -4.478 1.508 219 3HD1 LEU 31 3HD1 LEU 31 -5.805 -4.985 1.345 220 1HD2 LEU 31 2HD2 LEU 31 -2.353 -6.451 0.416 221 2HD2 LEU 31 1HD2 LEU 31 -3.506 -6.989 -0.805 222 3HD2 LEU 31 3HD2 LEU 31 -3.448 -5.290 -0.334 223 H ASP 32 H ASP 32 -2.643 -11.140 1.170 224 HA ASP 32 HA ASP 32 -0.914 -11.286 3.475 225 1HB ASP 32 2HB ASP 32 -3.489 -12.794 3.375 226 2HB ASP 32 1HB ASP 32 -2.065 -13.636 3.985 227 H LEU 33 H LEU 33 0.609 -11.452 1.782 228 HA LEU 33 HA LEU 33 2.015 -12.588 0.364 229 1HB LEU 33 2HB LEU 33 0.626 -14.871 1.749 230 2HB LEU 33 1HB LEU 33 1.745 -15.176 0.422 231 HG LEU 33 HG LEU 33 3.395 -13.667 1.698 232 1HD1 LEU 33 1HD1 LEU 33 1.231 -14.114 3.754 233 2HD1 LEU 33 3HD1 LEU 33 2.904 -13.832 4.237 234 3HD1 LEU 33 2HD1 LEU 33 2.032 -12.607 3.314 235 1HD2 LEU 33 1HD2 LEU 33 3.392 -16.224 1.540 236 2HD2 LEU 33 3HD2 LEU 33 4.237 -15.536 2.926 237 3HD2 LEU 33 2HD2 LEU 33 2.624 -16.220 3.127 238 H ARG 34 H ARG 34 -0.333 -11.472 -0.654 239 HA ARG 34 HA ARG 34 -1.801 -13.232 -2.329 240 1HB ARG 34 2HB ARG 34 -2.570 -10.957 -1.672 241 2HB ARG 34 1HB ARG 34 -1.325 -10.264 -2.710 242 1HG ARG 34 2HG ARG 34 -2.882 -12.277 -4.136 243 2HG ARG 34 1HG ARG 34 -3.922 -11.014 -3.479 244 1HD ARG 34 2HD ARG 34 -2.038 -9.422 -4.454 245 2HD ARG 34 1HD ARG 34 -1.726 -10.800 -5.502 246 HE ARG 34 HE ARG 34 -3.893 -8.992 -5.750 247 1HH1 ARG 34 1HH2 ARG 34 -5.229 -11.611 -4.872 248 2HH1 ARG 34 2HH2 ARG 34 -5.580 -12.341 -6.403 249 1HH2 ARG 34 2HH1 ARG 34 -3.439 -10.268 -8.178 250 2HH2 ARG 34 1HH1 ARG 34 -4.566 -11.580 -8.276 251 H PHE 35 H PHE 35 1.147 -11.339 -2.807 252 HA PHE 35 HA PHE 35 1.372 -11.689 -5.602 253 1HB PHE 35 2HB PHE 35 3.316 -11.063 -3.409 254 2HB PHE 35 1HB PHE 35 3.928 -11.466 -5.013 255 HD1 PHE 35 HD2 PHE 35 0.935 -9.543 -3.804 256 HD2 PHE 35 HD1 PHE 35 4.524 -9.517 -6.174 257 HE1 PHE 35 HE2 PHE 35 0.411 -7.247 -4.578 258 HE2 PHE 35 HE1 PHE 35 3.994 -7.223 -6.941 259 HZ PHE 35 HZ PHE 35 1.943 -6.089 -6.145 260 H GLU 36 H GLU 36 2.688 -13.573 -2.886 261 HA GLU 36 HA GLU 36 3.670 -15.621 -4.721 262 1HB GLU 36 2HB GLU 36 4.496 -16.744 -2.680 263 2HB GLU 36 1HB GLU 36 5.059 -15.078 -2.789 264 1HG GLU 36 2HG GLU 36 2.625 -14.885 -1.418 265 2HG GLU 36 1HG GLU 36 3.379 -16.334 -0.758 266 H ASP 37 H ASP 37 1.438 -15.969 -5.507 267 HA ASP 37 HA ASP 37 0.262 -18.235 -4.111 268 1HB ASP 37 2HB ASP 37 -0.845 -16.034 -3.288 269 2HB ASP 37 1HB ASP 37 -1.599 -16.004 -4.882 270 H ILE 38 H ILE 38 -0.608 -15.910 -6.686 271 HA ILE 38 HA ILE 38 -1.625 -17.973 -8.390 272 HB ILE 38 HB ILE 38 -1.927 -16.229 -10.047 273 1HG1 ILE 38 2HG1 ILE 38 -0.348 -14.395 -8.212 274 2HG1 ILE 38 1HG1 ILE 38 0.321 -15.130 -9.669 275 1HG2 ILE 38 1HG2 ILE 38 -3.163 -16.299 -7.660 276 2HG2 ILE 38 3HG2 ILE 38 -2.455 -14.685 -7.558 277 3HG2 ILE 38 2HG2 ILE 38 -3.545 -15.090 -8.886 278 1HD1 ILE 38 3HD1 ILE 38 -2.095 -14.022 -10.529 279 2HD1 ILE 38 2HD1 ILE 38 -1.443 -12.822 -9.413 280 3HD1 ILE 38 1HD1 ILE 38 -0.486 -13.351 -10.796 281 H GLY 39 H GLY 39 1.431 -16.312 -8.042 282 1HA GLY 39 2HA GLY 39 3.377 -17.766 -8.707 283 2HA GLY 39 1HA GLY 39 2.548 -17.936 -10.251 284 H TYR 40 H TYR 40 2.902 -15.022 -8.247 285 HA TYR 40 HA TYR 40 3.799 -13.509 -10.545 286 1HB TYR 40 2HB TYR 40 2.813 -12.908 -7.855 287 2HB TYR 40 1HB TYR 40 4.188 -11.903 -8.291 288 HD1 TYR 40 HD2 TYR 40 4.131 -10.622 -10.482 289 HD2 TYR 40 HD1 TYR 40 0.661 -12.540 -8.815 290 HE1 TYR 40 HE2 TYR 40 2.669 -9.229 -11.922 291 HE2 TYR 40 HE1 TYR 40 -0.798 -11.141 -10.256 292 HH TYR 40 HH TYR 40 0.024 -8.428 -11.625 293 H ASP 41 H ASP 41 5.823 -12.655 -10.888 294 HA ASP 41 HA ASP 41 7.972 -13.836 -9.238 295 1HB ASP 41 2HB ASP 41 9.359 -13.025 -11.386 296 2HB ASP 41 1HB ASP 41 8.601 -14.609 -11.293 297 H SER 42 H SER 42 7.980 -11.033 -11.443 298 HA SER 42 HA SER 42 8.012 -9.015 -9.509 299 1HB SER 42 2HB SER 42 10.043 -9.851 -8.581 300 2HB SER 42 1HB SER 42 10.744 -10.128 -10.172 301 HG SER 42 HG SER 42 9.962 -7.564 -9.239 302 H LEU 43 H LEU 43 9.723 -10.015 -12.480 303 HA LEU 43 HA LEU 43 9.937 -7.430 -13.587 304 1HB LEU 43 2HB LEU 43 10.307 -8.563 -15.738 305 2HB LEU 43 1HB LEU 43 11.240 -9.316 -14.446 306 HG LEU 43 HG LEU 43 8.703 -10.613 -14.486 307 1HD1 LEU 43 2HD1 LEU 43 8.498 -9.689 -16.801 308 2HD1 LEU 43 1HD1 LEU 43 9.988 -10.529 -17.228 309 3HD1 LEU 43 3HD1 LEU 43 8.559 -11.451 -16.762 310 1HD2 LEU 43 3HD2 LEU 43 11.544 -11.336 -15.160 311 2HD2 LEU 43 2HD2 LEU 43 10.552 -11.880 -13.806 312 3HD2 LEU 43 1HD2 LEU 43 10.255 -12.509 -15.427 313 H ALA 44 H ALA 44 7.276 -9.678 -13.452 314 HA ALA 44 HA ALA 44 5.738 -8.522 -15.571 315 1HB ALA 44 1HB ALA 44 5.334 -10.817 -14.744 316 2HB ALA 44 3HB ALA 44 4.806 -10.155 -13.197 317 3HB ALA 44 2HB ALA 44 3.878 -9.827 -14.660 318 H LEU 45 H LEU 45 5.332 -8.407 -12.027 319 HA LEU 45 HA LEU 45 3.405 -6.307 -12.120 320 1HB LEU 45 2HB LEU 45 3.727 -6.203 -9.669 321 2HB LEU 45 1HB LEU 45 3.467 -7.848 -10.244 322 HG LEU 45 HG LEU 45 6.203 -7.641 -10.406 323 1HD1 LEU 45 1HD1 LEU 45 5.628 -5.383 -9.050 324 2HD1 LEU 45 3HD1 LEU 45 5.679 -6.520 -7.703 325 3HD1 LEU 45 2HD1 LEU 45 7.088 -6.325 -8.745 326 1HD2 LEU 45 3HD2 LEU 45 4.255 -8.737 -8.426 327 2HD2 LEU 45 2HD2 LEU 45 5.458 -9.582 -9.400 328 3HD2 LEU 45 1HD2 LEU 45 5.953 -8.709 -7.951 329 H MET 46 H MET 46 6.770 -6.242 -12.537 330 HA MET 46 HA MET 46 7.217 -3.646 -11.335 331 1HB MET 46 2HB MET 46 9.015 -5.384 -11.503 332 2HB MET 46 1HB MET 46 9.003 -5.160 -13.253 333 1HG MET 46 2HG MET 46 9.377 -2.664 -12.769 334 2HG MET 46 1HG MET 46 9.756 -3.156 -11.120 335 1HE MET 46 2HE MET 46 10.543 -2.870 -14.642 336 2HE MET 46 1HE MET 46 11.714 -1.840 -13.823 337 3HE MET 46 3HE MET 46 12.265 -3.210 -14.797 338 H GLU 47 H GLU 47 6.377 -4.948 -14.467 339 HA GLU 47 HA GLU 47 7.052 -2.672 -16.033 340 1HB GLU 47 2HB GLU 47 5.203 -5.013 -16.420 341 2HB GLU 47 1HB GLU 47 5.208 -3.676 -17.571 342 1HG GLU 47 2HG GLU 47 7.807 -4.938 -16.742 343 2HG GLU 47 1HG GLU 47 6.809 -5.713 -17.974 344 H THR 48 H THR 48 4.071 -3.732 -14.432 345 HA THR 48 HA THR 48 2.482 -1.528 -15.289 346 HB THR 48 HB THR 48 2.088 -3.217 -12.808 347 HG1 THR 48 HG1 THR 48 1.271 -3.628 -15.492 348 1HG2 THR 48 3HG2 THR 48 0.729 -1.099 -13.120 349 2HG2 THR 48 2HG2 THR 48 0.058 -1.836 -14.575 350 3HG2 THR 48 1HG2 THR 48 -0.217 -2.583 -13.001 351 H ALA 49 H ALA 49 4.301 -2.232 -12.324 352 HA ALA 49 HA ALA 49 3.608 0.095 -10.895 353 1HB ALA 49 2HB ALA 49 4.742 -1.867 -9.882 354 2HB ALA 49 1HB ALA 49 6.212 -1.442 -10.758 355 3HB ALA 49 3HB ALA 49 5.574 -0.353 -9.526 356 H ALA 50 H ALA 50 5.856 -0.432 -13.505 357 HA ALA 50 HA ALA 50 7.404 1.949 -13.090 358 1HB ALA 50 2HB ALA 50 7.111 -0.016 -15.344 359 2HB ALA 50 1HB ALA 50 7.981 1.498 -15.590 360 3HB ALA 50 3HB ALA 50 8.533 0.351 -14.368 361 H ARG 51 H ARG 51 4.713 1.044 -15.224 362 HA ARG 51 HA ARG 51 4.516 3.495 -16.608 363 1HB ARG 51 2HB ARG 51 2.713 1.169 -16.141 364 2HB ARG 51 1HB ARG 51 1.974 2.670 -16.698 365 1HG ARG 51 2HG ARG 51 3.093 2.637 -18.724 366 2HG ARG 51 1HG ARG 51 4.456 1.725 -18.074 367 1HD ARG 51 2HD ARG 51 3.105 -0.303 -17.980 368 2HD ARG 51 1HD ARG 51 1.680 0.588 -18.503 369 HE ARG 51 HE ARG 51 2.430 0.292 -20.668 370 1HH1 ARG 51 2HH1 ARG 51 4.507 1.648 -21.530 371 2HH1 ARG 51 1HH1 ARG 51 5.944 0.689 -21.410 372 1HH2 ARG 51 1HH2 ARG 51 4.561 -1.586 -19.191 373 2HH2 ARG 51 2HH2 ARG 51 5.975 -1.142 -20.087 374 H LEU 52 H LEU 52 3.346 2.448 -13.481 375 HA LEU 52 HA LEU 52 1.567 4.681 -13.096 376 1HB LEU 52 2HB LEU 52 1.591 2.312 -11.933 377 2HB LEU 52 1HB LEU 52 2.689 3.113 -10.808 378 HG LEU 52 HG LEU 52 0.987 4.933 -10.530 379 1HD1 LEU 52 3HD1 LEU 52 -0.497 3.117 -12.415 380 2HD1 LEU 52 2HD1 LEU 52 -1.390 4.099 -11.254 381 3HD1 LEU 52 1HD1 LEU 52 -0.353 4.874 -12.451 382 1HD2 LEU 52 1HD2 LEU 52 0.298 2.064 -9.870 383 2HD2 LEU 52 3HD2 LEU 52 1.010 3.285 -8.815 384 3HD2 LEU 52 2HD2 LEU 52 -0.684 3.410 -9.292 385 H GLU 53 H GLU 53 4.919 3.936 -12.401 386 HA GLU 53 HA GLU 53 5.470 5.932 -10.500 387 1HB GLU 53 2HB GLU 53 7.019 4.065 -11.165 388 2HB GLU 53 1HB GLU 53 7.367 4.959 -12.646 389 1HG GLU 53 2HG GLU 53 7.778 6.935 -10.875 390 2HG GLU 53 1HG GLU 53 8.163 5.561 -9.838 391 H SER 54 H SER 54 5.180 6.048 -13.989 392 HA SER 54 HA SER 54 6.190 8.771 -14.157 393 1HB SER 54 2HB SER 54 5.185 6.752 -16.129 394 2HB SER 54 1HB SER 54 5.241 8.452 -16.585 395 HG SER 54 HG SER 54 7.252 7.947 -17.013 396 H ARG 55 H ARG 55 3.121 7.108 -13.957 397 HA ARG 55 HA ARG 55 1.416 9.122 -14.925 398 1HB ARG 55 2HB ARG 55 0.913 6.656 -14.173 399 2HB ARG 55 1HB ARG 55 0.596 7.408 -12.609 400 1HG ARG 55 2HG ARG 55 -1.288 8.473 -13.346 401 2HG ARG 55 1HG ARG 55 -0.622 8.756 -14.955 402 1HD ARG 55 2HD ARG 55 -1.483 6.026 -13.980 403 2HD ARG 55 1HD ARG 55 -2.547 7.110 -14.870 404 HE ARG 55 HE ARG 55 -0.326 5.588 -15.951 405 1HH1 ARG 55 1HH2 ARG 55 0.063 8.462 -16.824 406 2HH1 ARG 55 2HH2 ARG 55 -0.829 8.511 -18.308 407 1HH2 ARG 55 2HH1 ARG 55 -2.568 5.580 -17.668 408 2HH2 ARG 55 1HH1 ARG 55 -2.318 6.880 -18.785 409 H TYR 56 H TYR 56 1.986 8.309 -11.492 410 HA TYR 56 HA TYR 56 1.035 10.907 -10.653 411 1HB TYR 56 2HB TYR 56 2.401 8.772 -8.994 412 2HB TYR 56 1HB TYR 56 1.461 10.135 -8.392 413 HD1 TYR 56 HD1 TYR 56 -0.851 10.148 -10.270 414 HD2 TYR 56 HD2 TYR 56 1.166 6.866 -8.360 415 HE1 TYR 56 HE1 TYR 56 -2.915 8.786 -10.427 416 HE2 TYR 56 HE2 TYR 56 -0.898 5.505 -8.525 417 HH TYR 56 HH TYR 56 -3.147 5.795 -10.393 418 H GLY 57 H GLY 57 4.121 9.317 -11.132 419 1HA GLY 57 2HA GLY 57 6.164 10.417 -11.550 420 2HA GLY 57 1HA GLY 57 5.479 11.897 -10.882 421 H VAL 58 H VAL 58 5.247 8.803 -9.264 422 HA VAL 58 HA VAL 58 6.525 9.871 -6.912 423 HB VAL 58 HB VAL 58 4.571 8.395 -6.742 424 1HG1 VAL 58 1HG1 VAL 58 5.785 6.949 -8.764 425 2HG1 VAL 58 3HG1 VAL 58 6.017 5.914 -7.355 426 3HG1 VAL 58 2HG1 VAL 58 4.393 6.416 -7.823 427 1HG2 VAL 58 2HG2 VAL 58 6.324 8.457 -4.940 428 2HG2 VAL 58 1HG2 VAL 58 5.404 6.953 -4.992 429 3HG2 VAL 58 3HG2 VAL 58 7.036 7.012 -5.658 430 H SER 59 H SER 59 8.285 8.759 -5.813 431 HA SER 59 HA SER 59 10.240 7.634 -7.732 432 1HB SER 59 2HB SER 59 10.654 9.336 -5.272 433 2HB SER 59 1HB SER 59 11.961 8.456 -6.059 434 HG SER 59 HG SER 59 10.288 10.471 -7.152 435 H ILE 60 H ILE 60 10.312 5.499 -7.495 436 HA ILE 60 HA ILE 60 10.617 4.410 -4.771 437 HB ILE 60 HB ILE 60 8.933 3.129 -6.939 438 1HG1 ILE 60 2HG1 ILE 60 7.983 4.403 -4.361 439 2HG1 ILE 60 1HG1 ILE 60 8.001 5.267 -5.899 440 1HG2 ILE 60 2HG2 ILE 60 10.011 1.558 -5.361 441 2HG2 ILE 60 1HG2 ILE 60 9.331 2.459 -4.006 442 3HG2 ILE 60 3HG2 ILE 60 8.264 1.607 -5.123 443 1HD1 ILE 60 1HD1 ILE 60 6.761 3.006 -6.686 444 2HD1 ILE 60 3HD1 ILE 60 6.250 3.039 -4.998 445 3HD1 ILE 60 2HD1 ILE 60 5.884 4.400 -6.056 446 HA PRO 61 HA PRO 61 13.982 2.391 -6.890 447 1HB PRO 61 2HB PRO 61 14.818 0.772 -4.853 448 2HB PRO 61 1HB PRO 61 15.134 2.512 -4.920 449 1HG PRO 61 2HG PRO 61 13.251 1.014 -3.206 450 2HG PRO 61 1HG PRO 61 14.010 2.589 -2.938 451 1HD PRO 61 2HD PRO 61 11.341 2.105 -3.813 452 2HD PRO 61 1HD PRO 61 12.169 3.678 -3.730 453 H ASP 62 H ASP 62 14.674 0.312 -7.678 454 HA ASP 62 HA ASP 62 12.459 -1.541 -8.062 455 1HB ASP 62 2HB ASP 62 15.016 -0.951 -9.412 456 2HB ASP 62 1HB ASP 62 14.559 -2.653 -9.407 457 H ASP 63 H ASP 63 15.024 -1.259 -5.863 458 HA ASP 63 HA ASP 63 15.768 -3.989 -5.594 459 1HB ASP 63 2HB ASP 63 16.063 -1.534 -3.904 460 2HB ASP 63 1HB ASP 63 16.399 -3.114 -3.196 461 H VAL 64 H VAL 64 13.859 -1.980 -3.341 462 HA VAL 64 HA VAL 64 12.772 -4.282 -2.023 463 HB VAL 64 HB VAL 64 13.144 -2.132 -0.858 464 1HG1 VAL 64 1HG1 VAL 64 12.364 -0.744 -2.863 465 2HG1 VAL 64 3HG1 VAL 64 10.718 -1.096 -2.331 466 3HG1 VAL 64 2HG1 VAL 64 11.814 -0.203 -1.277 467 1HG2 VAL 64 1HG2 VAL 64 11.450 -3.812 -0.069 468 2HG2 VAL 64 3HG2 VAL 64 11.081 -2.158 0.419 469 3HG2 VAL 64 2HG2 VAL 64 10.211 -2.896 -0.927 470 H ALA 65 H ALA 65 11.487 -1.895 -4.312 471 HA ALA 65 HA ALA 65 8.840 -2.921 -4.378 472 1HB ALA 65 3HB ALA 65 9.686 -0.649 -5.239 473 2HB ALA 65 2HB ALA 65 10.172 -1.522 -6.693 474 3HB ALA 65 1HB ALA 65 8.474 -1.482 -6.213 475 H GLY 66 H GLY 66 11.791 -3.784 -6.047 476 1HA GLY 66 2HA GLY 66 10.547 -5.379 -8.083 477 2HA GLY 66 1HA GLY 66 12.255 -5.388 -7.654 478 H ARG 67 H ARG 67 11.925 -6.005 -4.891 479 HA ARG 67 HA ARG 67 11.258 -8.859 -5.143 480 1HB ARG 67 2HB ARG 67 13.515 -7.999 -4.226 481 2HB ARG 67 1HB ARG 67 12.607 -7.589 -2.769 482 1HG ARG 67 2HG ARG 67 11.925 -9.878 -2.457 483 2HG ARG 67 1HG ARG 67 12.565 -10.341 -4.035 484 1HD ARG 67 2HD ARG 67 14.254 -11.034 -2.557 485 2HD ARG 67 1HD ARG 67 14.836 -9.473 -3.127 486 HE ARG 67 HE ARG 67 14.378 -8.564 -0.994 487 1HH1 ARG 67 1HH1 ARG 67 12.299 -10.898 1.044 488 2HH1 ARG 67 2HH1 ARG 67 11.856 -9.715 -0.142 489 1HH2 ARG 67 1HH2 ARG 67 15.620 -11.031 0.053 490 2HH2 ARG 67 2HH2 ARG 67 14.431 -11.642 1.155 491 H VAL 68 H VAL 68 9.096 -7.069 -5.027 492 HA VAL 68 HA VAL 68 8.111 -6.904 -2.324 493 HB VAL 68 HB VAL 68 7.456 -5.251 -4.046 494 1HG1 VAL 68 1HG1 VAL 68 7.257 -7.265 -5.792 495 2HG1 VAL 68 3HG1 VAL 68 5.570 -7.211 -5.281 496 3HG1 VAL 68 2HG1 VAL 68 6.324 -5.780 -5.983 497 1HG2 VAL 68 2HG2 VAL 68 5.912 -6.280 -2.067 498 2HG2 VAL 68 1HG2 VAL 68 5.398 -4.945 -3.099 499 3HG2 VAL 68 3HG2 VAL 68 4.872 -6.590 -3.459 500 H ASP 69 H ASP 69 7.493 -8.645 -1.245 501 HA ASP 69 HA ASP 69 6.313 -10.911 -2.713 502 1HB ASP 69 2HB ASP 69 7.615 -10.664 -0.006 503 2HB ASP 69 1HB ASP 69 6.629 -12.064 -0.431 504 H THR 70 H THR 70 5.603 -8.443 -0.354 505 HA THR 70 HA THR 70 3.003 -9.681 0.243 506 HB THR 70 HB THR 70 2.972 -7.499 1.783 507 HG1 THR 70 HG1 THR 70 5.107 -7.095 2.474 508 1HG2 THR 70 2HG2 THR 70 3.004 -10.015 2.359 509 2HG2 THR 70 1HG2 THR 70 4.744 -9.810 2.568 510 3HG2 THR 70 3HG2 THR 70 3.621 -8.897 3.575 511 HA PRO 71 HA PRO 71 1.047 -6.780 -2.495 512 1HB PRO 71 2HB PRO 71 -1.522 -6.985 -1.586 513 2HB PRO 71 1HB PRO 71 -0.721 -8.235 -2.553 514 1HG PRO 71 2HG PRO 71 -1.360 -8.216 0.340 515 2HG PRO 71 1HG PRO 71 -1.174 -9.586 -0.764 516 1HD PRO 71 2HD PRO 71 0.742 -8.667 1.110 517 2HD PRO 71 1HD PRO 71 1.020 -9.849 -0.191 518 H ARG 72 H ARG 72 0.018 -6.525 0.907 519 HA ARG 72 HA ARG 72 -0.953 -3.893 0.836 520 1HB ARG 72 2HB ARG 72 -1.104 -5.668 2.723 521 2HB ARG 72 1HB ARG 72 0.442 -5.006 3.253 522 1HG ARG 72 2HG ARG 72 -0.481 -2.842 3.598 523 2HG ARG 72 1HG ARG 72 -1.942 -3.236 2.692 524 1HD ARG 72 2HD ARG 72 -2.310 -5.064 4.492 525 2HD ARG 72 1HD ARG 72 -1.125 -4.170 5.438 526 HE ARG 72 HE ARG 72 -2.654 -2.279 5.424 527 1HH1 ARG 72 1HH2 ARG 72 -4.477 -2.397 3.290 528 2HH1 ARG 72 2HH2 ARG 72 -5.871 -3.233 3.887 529 1HH2 ARG 72 2HH1 ARG 72 -4.212 -4.614 6.600 530 2HH2 ARG 72 1HH1 ARG 72 -5.722 -4.488 5.760 531 H GLU 73 H GLU 73 2.299 -5.095 0.790 532 HA GLU 73 HA GLU 73 3.559 -2.725 1.804 533 1HB GLU 73 2HB GLU 73 4.624 -5.002 1.783 534 2HB GLU 73 1HB GLU 73 4.775 -4.853 0.031 535 1HG GLU 73 2HG GLU 73 6.835 -4.018 0.686 536 2HG GLU 73 1HG GLU 73 5.891 -2.529 0.661 537 H LEU 74 H LEU 74 2.747 -3.984 -1.395 538 HA LEU 74 HA LEU 74 4.123 -2.078 -2.948 539 1HB LEU 74 2HB LEU 74 2.892 -4.254 -3.678 540 2HB LEU 74 1HB LEU 74 1.474 -3.211 -3.802 541 HG LEU 74 HG LEU 74 3.128 -1.645 -5.141 542 1HD1 LEU 74 1HD1 LEU 74 5.008 -3.360 -4.577 543 2HD1 LEU 74 3HD1 LEU 74 4.293 -4.327 -5.867 544 3HD1 LEU 74 2HD1 LEU 74 4.923 -2.719 -6.217 545 1HD2 LEU 74 3HD2 LEU 74 1.544 -4.032 -5.970 546 2HD2 LEU 74 2HD2 LEU 74 1.335 -2.338 -6.412 547 3HD2 LEU 74 1HD2 LEU 74 2.589 -3.304 -7.190 548 H LEU 75 H LEU 75 0.788 -2.106 -1.711 549 HA LEU 75 HA LEU 75 -0.019 0.355 -2.843 550 1HB LEU 75 2HB LEU 75 -1.621 -1.267 -1.908 551 2HB LEU 75 1HB LEU 75 -0.973 -0.987 -0.295 552 HG LEU 75 HG LEU 75 -1.554 1.550 -0.876 553 1HD1 LEU 75 1HD1 LEU 75 -2.281 0.995 -3.192 554 2HD1 LEU 75 3HD1 LEU 75 -3.562 -0.014 -2.519 555 3HD1 LEU 75 2HD1 LEU 75 -3.571 1.726 -2.236 556 1HD2 LEU 75 2HD2 LEU 75 -3.486 -0.619 -0.029 557 2HD2 LEU 75 1HD2 LEU 75 -2.495 0.401 1.014 558 3HD2 LEU 75 3HD2 LEU 75 -3.839 1.103 0.114 559 H ASP 76 H ASP 76 1.250 -0.416 0.392 560 HA ASP 76 HA ASP 76 1.315 2.301 1.260 561 1HB ASP 76 2HB ASP 76 2.464 -0.271 2.284 562 2HB ASP 76 1HB ASP 76 2.998 1.261 2.977 563 H LEU 77 H LEU 77 3.286 0.631 -0.949 564 HA LEU 77 HA LEU 77 5.755 1.994 -0.305 565 1HB LEU 77 2HB LEU 77 5.680 -0.281 -1.360 566 2HB LEU 77 1HB LEU 77 5.056 0.476 -2.825 567 HG LEU 77 HG LEU 77 7.083 1.946 -2.866 568 1HD1 LEU 77 1HD1 LEU 77 7.684 0.304 -0.421 569 2HD1 LEU 77 3HD1 LEU 77 9.012 0.901 -1.418 570 3HD1 LEU 77 2HD1 LEU 77 7.888 2.038 -0.674 571 1HD2 LEU 77 1HD2 LEU 77 7.456 -1.062 -2.890 572 2HD2 LEU 77 3HD2 LEU 77 7.111 -0.013 -4.266 573 3HD2 LEU 77 2HD2 LEU 77 8.682 0.065 -3.470 574 H ILE 78 H ILE 78 3.658 2.006 -3.208 575 HA ILE 78 HA ILE 78 4.826 4.400 -4.250 576 HB ILE 78 HB ILE 78 2.139 3.185 -4.940 577 1HG1 ILE 78 2HG1 ILE 78 4.473 2.687 -6.690 578 2HG1 ILE 78 1HG1 ILE 78 4.559 1.892 -5.118 579 1HG2 ILE 78 1HG2 ILE 78 2.592 5.514 -5.746 580 2HG2 ILE 78 3HG2 ILE 78 4.025 4.906 -6.575 581 3HG2 ILE 78 2HG2 ILE 78 2.423 4.347 -7.058 582 1HD1 ILE 78 1HD1 ILE 78 2.311 0.928 -5.493 583 2HD1 ILE 78 3HD1 ILE 78 2.253 1.700 -7.079 584 3HD1 ILE 78 2HD1 ILE 78 3.443 0.438 -6.755 585 H ASN 79 H ASN 79 1.873 3.661 -2.493 586 HA ASN 79 HA ASN 79 0.713 6.234 -2.536 587 1HB ASN 79 2HB ASN 79 -0.440 4.084 -1.904 588 2HB ASN 79 1HB ASN 79 0.408 4.159 -0.360 589 1HD2 ASN 79 2HD2 ASN 79 -2.903 5.808 0.076 590 2HD2 ASN 79 1HD2 ASN 79 -2.381 4.247 -0.342 591 H GLY 80 H GLY 80 2.776 4.613 -0.136 592 1HA GLY 80 2HA GLY 80 2.816 6.776 1.714 593 2HA GLY 80 1HA GLY 80 3.947 5.428 1.678 594 H ALA 81 H ALA 81 4.648 6.054 -1.171 595 HA ALA 81 HA ALA 81 6.827 7.840 -0.602 596 1HB ALA 81 2HB ALA 81 5.878 6.401 -3.069 597 2HB ALA 81 1HB ALA 81 7.167 7.601 -3.156 598 3HB ALA 81 3HB ALA 81 7.368 6.163 -2.155 599 H LEU 82 H LEU 82 3.709 8.084 -2.177 600 HA LEU 82 HA LEU 82 4.217 10.675 -3.338 601 1HB LEU 82 2HB LEU 82 2.345 8.706 -3.790 602 2HB LEU 82 1HB LEU 82 1.401 9.918 -2.926 603 HG LEU 82 HG LEU 82 3.218 10.769 -5.164 604 1HD1 LEU 82 2HD1 LEU 82 0.610 9.303 -5.365 605 2HD1 LEU 82 1HD1 LEU 82 0.946 10.596 -6.517 606 3HD1 LEU 82 3HD1 LEU 82 2.028 9.207 -6.409 607 1HD2 LEU 82 1HD2 LEU 82 0.628 11.775 -3.948 608 2HD2 LEU 82 3HD2 LEU 82 2.221 12.524 -3.831 609 3HD2 LEU 82 2HD2 LEU 82 1.375 12.486 -5.380 610 H ALA 83 H ALA 83 2.880 9.429 -0.355 611 HA ALA 83 HA ALA 83 1.707 11.919 0.489 612 1HB ALA 83 3HB ALA 83 0.862 9.770 1.335 613 2HB ALA 83 2HB ALA 83 2.424 9.450 2.090 614 3HB ALA 83 1HB ALA 83 1.428 10.790 2.658 615 H GLU 84 H GLU 84 4.779 10.280 0.904 616 HA GLU 84 HA GLU 84 5.758 12.599 2.462 617 1HB GLU 84 2HB GLU 84 6.415 9.668 2.643 618 2HB GLU 84 1HB GLU 84 7.571 10.884 3.189 619 1HG GLU 84 2HG GLU 84 5.761 11.871 4.624 620 2HG GLU 84 1HG GLU 84 4.728 10.516 4.172 621 H ALA 85 H ALA 85 5.645 12.643 -0.334 622 HA ALA 85 HA ALA 85 8.016 11.800 -1.619 623 1HB ALA 85 2HB ALA 85 5.804 12.719 -2.642 624 2HB ALA 85 1HB ALA 85 6.554 14.300 -2.426 625 3HB ALA 85 3HB ALA 85 7.328 13.089 -3.447 626 H ALA 86 HN ALA 86 7.169 14.736 0.140 627 HA ALA 86 HA ALA 86 8.447 16.461 0.963 628 1HB ALA 86 1HB ALA 86 10.505 14.278 0.706 629 2HB ALA 86 3HB ALA 86 10.951 15.895 1.252 630 3HB ALA 86 2HB ALA 86 9.782 14.946 2.169 No H/Q in entry = 630 Start of MODEL 23 1 1H MET 1 1H MET 1 -4.591 12.521 -11.471 2 2H MET 1 3H MET 1 -4.712 13.923 -12.419 3 3H MET 1 2H MET 1 -3.276 13.591 -11.574 4 HA MET 1 HA MET 1 -4.281 13.984 -9.487 5 1HB MET 1 2HB MET 1 -3.797 15.941 -11.235 6 2HB MET 1 1HB MET 1 -5.542 16.161 -11.102 7 1HG MET 1 2HG MET 1 -5.106 16.030 -8.526 8 2HG MET 1 1HG MET 1 -3.441 16.410 -8.964 9 1HE MET 1 3HE MET 1 -3.329 18.362 -7.663 10 2HE MET 1 2HE MET 1 -2.619 18.858 -9.197 11 3HE MET 1 1HE MET 1 -3.690 19.959 -8.332 12 H ALA 2 H ALA 2 -5.841 12.350 -9.066 13 HA ALA 2 HA ALA 2 -8.606 13.321 -9.309 14 1HB ALA 2 3HB ALA 2 -7.923 11.542 -11.115 15 2HB ALA 2 2HB ALA 2 -8.072 10.408 -9.773 16 3HB ALA 2 1HB ALA 2 -9.459 11.382 -10.262 17 H THR 3 H THR 3 -6.615 10.636 -8.052 18 HA THR 3 HA THR 3 -7.601 11.163 -5.358 19 HB THR 3 HB THR 3 -7.817 8.314 -6.177 20 HG1 THR 3 HG1 THR 3 -9.857 8.655 -7.029 21 1HG2 THR 3 1HG2 THR 3 -8.926 10.199 -4.167 22 2HG2 THR 3 3HG2 THR 3 -9.998 8.905 -4.701 23 3HG2 THR 3 2HG2 THR 3 -8.435 8.515 -3.982 24 H LEU 4 H LEU 4 -6.610 9.407 -3.837 25 HA LEU 4 HA LEU 4 -3.750 9.375 -4.418 26 1HB LEU 4 2HB LEU 4 -3.525 8.652 -2.056 27 2HB LEU 4 1HB LEU 4 -4.442 10.148 -2.210 28 HG LEU 4 HG LEU 4 -6.085 7.694 -2.339 29 1HD1 LEU 4 3HD1 LEU 4 -4.497 8.434 0.126 30 2HD1 LEU 4 2HD1 LEU 4 -6.005 7.527 0.216 31 3HD1 LEU 4 1HD1 LEU 4 -4.623 6.856 -0.651 32 1HD2 LEU 4 3HD2 LEU 4 -6.621 10.311 -2.063 33 2HD2 LEU 4 2HD2 LEU 4 -7.663 9.071 -1.366 34 3HD2 LEU 4 1HD2 LEU 4 -6.475 9.894 -0.356 35 H LEU 5 H LEU 5 -2.745 7.251 -3.199 36 HA LEU 5 HA LEU 5 -3.607 5.041 -4.902 37 1HB LEU 5 2HB LEU 5 -1.157 5.743 -3.375 38 2HB LEU 5 1HB LEU 5 -1.515 4.026 -3.530 39 HG LEU 5 HG LEU 5 -0.055 4.953 -5.370 40 1HD1 LEU 5 1HD1 LEU 5 -1.516 2.916 -5.602 41 2HD1 LEU 5 3HD1 LEU 5 -2.739 3.950 -6.340 42 3HD1 LEU 5 2HD1 LEU 5 -1.172 3.741 -7.123 43 1HD2 LEU 5 1HD2 LEU 5 -1.746 7.080 -5.382 44 2HD2 LEU 5 3HD2 LEU 5 -0.747 6.634 -6.766 45 3HD2 LEU 5 2HD2 LEU 5 -2.436 6.133 -6.701 46 H THR 6 H THR 6 -5.580 4.562 -3.865 47 HA THR 6 HA THR 6 -5.492 3.638 -1.093 48 HB THR 6 HB THR 6 -7.417 4.986 -1.814 49 HG1 THR 6 HG1 THR 6 -9.018 3.506 -1.120 50 1HG2 THR 6 3HG2 THR 6 -7.229 3.491 -4.171 51 2HG2 THR 6 2HG2 THR 6 -8.719 2.932 -3.413 52 3HG2 THR 6 1HG2 THR 6 -8.498 4.645 -3.762 53 H THR 7 H THR 7 -6.715 1.539 -0.641 54 HA THR 7 HA THR 7 -5.319 -0.632 -1.723 55 HB THR 7 HB THR 7 -8.065 -0.725 -0.449 56 HG1 THR 7 HG1 THR 7 -5.513 -0.888 0.771 57 1HG2 THR 7 2HG2 THR 7 -7.110 -2.794 -1.596 58 2HG2 THR 7 1HG2 THR 7 -5.841 -2.768 -0.371 59 3HG2 THR 7 3HG2 THR 7 -7.526 -2.980 0.109 60 H ASP 8 H ASP 8 -8.496 0.696 -2.541 61 HA ASP 8 HA ASP 8 -9.283 -1.288 -4.385 62 1HB ASP 8 2HB ASP 8 -10.578 0.799 -3.386 63 2HB ASP 8 1HB ASP 8 -10.015 1.570 -4.871 64 H ASP 9 H ASP 9 -7.221 1.533 -4.665 65 HA ASP 9 HA ASP 9 -7.030 1.694 -7.470 66 1HB ASP 9 2HB ASP 9 -6.156 3.414 -5.848 67 2HB ASP 9 1HB ASP 9 -4.818 2.318 -5.499 68 H LEU 10 H LEU 10 -4.853 0.081 -5.131 69 HA LEU 10 HA LEU 10 -3.192 -1.089 -7.086 70 1HB LEU 10 2HB LEU 10 -2.102 -2.150 -5.343 71 2HB LEU 10 1HB LEU 10 -2.889 -0.842 -4.475 72 HG LEU 10 HG LEU 10 -4.841 -2.663 -4.259 73 1HD1 LEU 10 3HD1 LEU 10 -3.092 -4.177 -5.619 74 2HD1 LEU 10 2HD1 LEU 10 -2.518 -4.506 -3.983 75 3HD1 LEU 10 1HD1 LEU 10 -4.190 -4.861 -4.420 76 1HD2 LEU 10 2HD2 LEU 10 -3.570 -1.532 -2.411 77 2HD2 LEU 10 1HD2 LEU 10 -3.960 -3.216 -2.058 78 3HD2 LEU 10 3HD2 LEU 10 -2.329 -2.776 -2.565 79 H ARG 11 H ARG 11 -6.299 -2.028 -5.840 80 HA ARG 11 HA ARG 11 -6.294 -4.761 -6.522 81 1HB ARG 11 2HB ARG 11 -8.057 -3.213 -5.241 82 2HB ARG 11 1HB ARG 11 -8.816 -3.214 -6.834 83 1HG ARG 11 2HG ARG 11 -8.924 -5.625 -6.862 84 2HG ARG 11 1HG ARG 11 -7.944 -5.736 -5.400 85 1HD ARG 11 2HD ARG 11 -9.705 -5.294 -4.036 86 2HD ARG 11 1HD ARG 11 -10.354 -4.061 -5.111 87 HE ARG 11 HE ARG 11 -11.005 -6.907 -5.133 88 1HH1 ARG 11 2HH1 ARG 11 -10.856 -6.677 -7.921 89 2HH1 ARG 11 1HH1 ARG 11 -12.293 -5.848 -8.424 90 1HH2 ARG 11 1HH2 ARG 11 -12.993 -4.598 -5.265 91 2HH2 ARG 11 2HH2 ARG 11 -13.503 -4.671 -6.920 92 H ARG 12 H ARG 12 -7.734 -2.028 -8.314 93 HA ARG 12 HA ARG 12 -8.347 -3.504 -10.636 94 1HB ARG 12 2HB ARG 12 -8.484 -1.286 -11.761 95 2HB ARG 12 1HB ARG 12 -9.381 -1.344 -10.245 96 1HG ARG 12 2HG ARG 12 -7.606 -0.191 -9.074 97 2HG ARG 12 1HG ARG 12 -6.548 -0.295 -10.481 98 1HD ARG 12 2HD ARG 12 -9.220 1.111 -10.567 99 2HD ARG 12 1HD ARG 12 -7.734 1.943 -10.125 100 HE ARG 12 HE ARG 12 -6.903 1.480 -12.367 101 1HH1 ARG 12 2HH1 ARG 12 -10.147 2.173 -11.980 102 2HH1 ARG 12 1HH1 ARG 12 -10.655 1.615 -13.539 103 1HH2 ARG 12 1HH2 ARG 12 -7.602 0.162 -14.308 104 2HH2 ARG 12 2HH2 ARG 12 -9.214 0.477 -14.857 105 H ALA 13 H ALA 13 -5.420 -1.910 -9.582 106 HA ALA 13 HA ALA 13 -4.084 -1.919 -12.103 107 1HB ALA 13 1HB ALA 13 -3.511 -0.585 -9.952 108 2HB ALA 13 3HB ALA 13 -2.655 -2.048 -9.462 109 3HB ALA 13 2HB ALA 13 -2.183 -1.203 -10.936 110 H LEU 14 H LEU 14 -4.515 -4.282 -9.571 111 HA LEU 14 HA LEU 14 -2.417 -6.032 -10.539 112 1HB LEU 14 2HB LEU 14 -4.411 -6.098 -8.319 113 2HB LEU 14 1HB LEU 14 -3.742 -7.630 -8.880 114 HG LEU 14 HG LEU 14 -1.947 -5.289 -8.259 115 1HD1 LEU 14 2HD1 LEU 14 -3.592 -6.173 -6.338 116 2HD1 LEU 14 1HD1 LEU 14 -2.369 -7.440 -6.230 117 3HD1 LEU 14 3HD1 LEU 14 -1.914 -5.752 -5.999 118 1HD2 LEU 14 3HD2 LEU 14 -1.319 -7.515 -9.514 119 2HD2 LEU 14 2HD2 LEU 14 -0.241 -6.889 -8.267 120 3HD2 LEU 14 1HD2 LEU 14 -1.346 -8.214 -7.895 121 H VAL 15 H VAL 15 -5.869 -5.651 -10.924 122 HA VAL 15 HA VAL 15 -6.275 -8.241 -12.128 123 HB VAL 15 HB VAL 15 -8.093 -5.822 -12.205 124 1HG1 VAL 15 3HG1 VAL 15 -8.371 -8.742 -12.861 125 2HG1 VAL 15 2HG1 VAL 15 -9.772 -7.848 -12.271 126 3HG1 VAL 15 1HG1 VAL 15 -8.963 -7.340 -13.754 127 1HG2 VAL 15 3HG2 VAL 15 -7.284 -6.793 -9.893 128 2HG2 VAL 15 2HG2 VAL 15 -8.999 -6.480 -10.151 129 3HG2 VAL 15 1HG2 VAL 15 -8.372 -8.122 -10.287 130 H GLU 16 H GLU 16 -5.392 -5.054 -13.216 131 HA GLU 16 HA GLU 16 -6.191 -5.167 -15.900 132 1HB GLU 16 2HB GLU 16 -4.047 -3.718 -14.408 133 2HB GLU 16 1HB GLU 16 -3.990 -3.720 -16.171 134 1HG GLU 16 2HG GLU 16 -6.583 -3.101 -14.794 135 2HG GLU 16 1HG GLU 16 -5.347 -1.848 -14.905 136 H CYS 17 H CYS 17 -3.526 -6.694 -14.230 137 HA CYS 17 HA CYS 17 -2.222 -7.496 -16.711 138 1HB CYS 17 2HB CYS 17 -1.586 -7.675 -13.805 139 2HB CYS 17 1HB CYS 17 -0.881 -8.893 -14.867 140 HG CYS 17 HG CYS 17 0.807 -7.022 -15.107 141 H ALA 18 H ALA 18 -4.166 -8.914 -14.130 142 HA ALA 18 HA ALA 18 -3.943 -11.600 -15.165 143 1HB ALA 18 2HB ALA 18 -5.692 -10.348 -13.043 144 2HB ALA 18 1HB ALA 18 -5.818 -12.046 -13.505 145 3HB ALA 18 3HB ALA 18 -4.317 -11.430 -12.816 146 H GLY 19 H GLY 19 -6.951 -9.805 -14.540 147 1HA GLY 19 2HA GLY 19 -8.597 -9.210 -16.152 148 2HA GLY 19 1HA GLY 19 -7.834 -10.308 -17.299 149 H GLU 20 H GLU 20 -9.112 -10.639 -13.983 150 HA GLU 20 HA GLU 20 -11.211 -12.427 -14.843 151 1HB GLU 20 2HB GLU 20 -10.383 -14.318 -13.371 152 2HB GLU 20 1HB GLU 20 -9.491 -14.085 -14.874 153 1HG GLU 20 2HG GLU 20 -7.584 -13.481 -13.794 154 2HG GLU 20 1HG GLU 20 -8.451 -12.505 -12.611 155 H THR 21 H THR 21 -12.876 -11.977 -13.582 156 HA THR 21 HA THR 21 -12.894 -12.072 -10.786 157 HB THR 21 HB THR 21 -11.584 -10.061 -10.709 158 HG1 THR 21 HG1 THR 21 -12.897 -9.129 -9.364 159 1HG2 THR 21 3HG2 THR 21 -13.138 -9.403 -13.091 160 2HG2 THR 21 2HG2 THR 21 -13.090 -8.067 -11.941 161 3HG2 THR 21 1HG2 THR 21 -11.588 -8.760 -12.549 162 H ASP 22 H ASP 22 -14.914 -12.659 -10.423 163 HA ASP 22 HA ASP 22 -17.039 -11.714 -12.223 164 1HB ASP 22 2HB ASP 22 -17.000 -13.946 -10.179 165 2HB ASP 22 1HB ASP 22 -18.398 -13.512 -11.163 166 H GLY 23 H GLY 23 -15.828 -10.068 -10.044 167 1HA GLY 23 2HA GLY 23 -17.497 -8.358 -9.150 168 2HA GLY 23 1HA GLY 23 -18.180 -9.737 -8.290 169 H THR 24 H THR 24 -17.200 -10.502 -6.472 170 HA THR 24 HA THR 24 -14.535 -9.783 -5.701 171 HB THR 24 HB THR 24 -16.436 -8.712 -3.700 172 HG1 THR 24 HG1 THR 24 -16.962 -6.956 -4.813 173 1HG2 THR 24 1HG2 THR 24 -13.775 -8.749 -3.889 174 2HG2 THR 24 3HG2 THR 24 -14.067 -7.253 -4.775 175 3HG2 THR 24 2HG2 THR 24 -14.627 -7.415 -3.111 176 H ASP 25 H ASP 25 -13.798 -11.375 -4.499 177 HA ASP 25 HA ASP 25 -15.621 -12.819 -2.690 178 1HB ASP 25 2HB ASP 25 -15.131 -13.962 -5.027 179 2HB ASP 25 1HB ASP 25 -13.614 -14.396 -4.240 180 H LEU 26 H LEU 26 -14.689 -12.060 -0.852 181 HA LEU 26 HA LEU 26 -11.827 -12.715 -0.462 182 1HB LEU 26 2HB LEU 26 -13.250 -10.440 0.930 183 2HB LEU 26 1HB LEU 26 -11.526 -10.779 0.907 184 HG LEU 26 HG LEU 26 -11.813 -8.970 -0.594 185 1HD1 LEU 26 3HD1 LEU 26 -10.813 -11.350 -1.531 186 2HD1 LEU 26 2HD1 LEU 26 -11.989 -10.934 -2.777 187 3HD1 LEU 26 1HD1 LEU 26 -10.699 -9.806 -2.373 188 1HD2 LEU 26 3HD2 LEU 26 -14.424 -9.840 -0.801 189 2HD2 LEU 26 2HD2 LEU 26 -13.711 -8.524 -1.733 190 3HD2 LEU 26 1HD2 LEU 26 -13.790 -10.146 -2.419 191 H SER 27 H SER 27 -12.017 -14.603 0.642 192 HA SER 27 HA SER 27 -13.996 -15.227 2.537 193 1HB SER 27 2HB SER 27 -11.222 -16.302 2.084 194 2HB SER 27 1HB SER 27 -12.262 -16.920 3.364 195 HG SER 27 HG SER 27 -13.810 -17.407 1.769 196 H GLY 28 H GLY 28 -11.198 -13.248 2.786 197 1HA GLY 28 2HA GLY 28 -11.882 -12.489 5.489 198 2HA GLY 28 1HA GLY 28 -10.348 -13.347 5.364 199 H ASP 29 H ASP 29 -9.397 -12.417 2.951 200 HA ASP 29 HA ASP 29 -9.516 -9.607 2.621 201 1HB ASP 29 2HB ASP 29 -8.242 -10.020 4.906 202 2HB ASP 29 1HB ASP 29 -6.887 -10.360 3.828 203 H PHE 30 H PHE 30 -8.202 -8.886 0.913 204 HA PHE 30 HA PHE 30 -6.991 -11.077 -0.653 205 1HB PHE 30 2HB PHE 30 -7.291 -9.597 -2.609 206 2HB PHE 30 1HB PHE 30 -8.812 -9.934 -1.792 207 HD1 PHE 30 HD1 PHE 30 -9.968 -8.209 -0.492 208 HD2 PHE 30 HD2 PHE 30 -6.264 -7.373 -2.504 209 HE1 PHE 30 HE1 PHE 30 -10.352 -5.779 -0.192 210 HE2 PHE 30 HE2 PHE 30 -6.650 -4.943 -2.203 211 HZ PHE 30 HZ PHE 30 -8.693 -4.145 -1.046 212 H LEU 31 H LEU 31 -5.698 -9.567 1.547 213 HA LEU 31 HA LEU 31 -3.331 -8.719 0.030 214 1HB LEU 31 2HB LEU 31 -4.600 -7.124 2.268 215 2HB LEU 31 1HB LEU 31 -3.024 -6.783 1.555 216 HG LEU 31 HG LEU 31 -5.581 -6.922 -0.060 217 1HD1 LEU 31 3HD1 LEU 31 -5.178 -5.031 1.812 218 2HD1 LEU 31 2HD1 LEU 31 -4.243 -4.324 0.495 219 3HD1 LEU 31 1HD1 LEU 31 -5.954 -4.683 0.267 220 1HD2 LEU 31 2HD2 LEU 31 -2.724 -6.112 -0.588 221 2HD2 LEU 31 1HD2 LEU 31 -3.741 -7.219 -1.509 222 3HD2 LEU 31 3HD2 LEU 31 -4.037 -5.482 -1.582 223 H ASP 32 H ASP 32 -3.178 -11.094 0.922 224 HA ASP 32 HA ASP 32 -1.738 -10.935 3.503 225 1HB ASP 32 2HB ASP 32 -3.759 -12.931 2.555 226 2HB ASP 32 1HB ASP 32 -2.462 -13.461 3.626 227 H LEU 33 H LEU 33 -2.159 -12.753 0.483 228 HA LEU 33 HA LEU 33 0.723 -12.986 0.190 229 1HB LEU 33 2HB LEU 33 -0.487 -15.032 1.544 230 2HB LEU 33 1HB LEU 33 -0.600 -15.610 -0.118 231 HG LEU 33 HG LEU 33 1.880 -15.042 -0.343 232 1HD1 LEU 33 1HD1 LEU 33 1.833 -13.576 1.741 233 2HD1 LEU 33 3HD1 LEU 33 1.777 -15.067 2.683 234 3HD1 LEU 33 2HD1 LEU 33 3.168 -14.724 1.654 235 1HD2 LEU 33 1HD2 LEU 33 0.885 -17.350 0.066 236 2HD2 LEU 33 3HD2 LEU 33 2.555 -17.150 0.594 237 3HD2 LEU 33 2HD2 LEU 33 1.245 -17.113 1.776 238 H ARG 34 H ARG 34 -1.448 -11.703 -1.222 239 HA ARG 34 HA ARG 34 -2.357 -13.082 -3.477 240 1HB ARG 34 2HB ARG 34 -2.896 -10.672 -2.592 241 2HB ARG 34 1HB ARG 34 -1.594 -10.193 -3.681 242 1HG ARG 34 2HG ARG 34 -2.719 -11.112 -5.583 243 2HG ARG 34 1HG ARG 34 -3.902 -11.937 -4.565 244 1HD ARG 34 2HD ARG 34 -4.318 -9.433 -3.710 245 2HD ARG 34 1HD ARG 34 -3.731 -9.060 -5.327 246 HE ARG 34 HE ARG 34 -6.300 -10.086 -4.690 247 1HH1 ARG 34 1HH2 ARG 34 -5.761 -12.499 -6.052 248 2HH1 ARG 34 2HH2 ARG 34 -5.861 -12.129 -7.741 249 1HH2 ARG 34 2HH1 ARG 34 -5.543 -8.707 -7.280 250 2HH2 ARG 34 1HH1 ARG 34 -5.738 -9.983 -8.436 251 H PHE 35 H PHE 35 0.821 -11.897 -2.740 252 HA PHE 35 HA PHE 35 1.671 -12.031 -5.539 253 1HB PHE 35 2HB PHE 35 2.938 -11.075 -2.992 254 2HB PHE 35 1HB PHE 35 3.953 -11.483 -4.372 255 HD1 PHE 35 HD2 PHE 35 0.559 -9.879 -4.196 256 HD2 PHE 35 HD1 PHE 35 4.683 -9.475 -5.338 257 HE1 PHE 35 HE2 PHE 35 0.065 -7.670 -5.206 258 HE2 PHE 35 HE1 PHE 35 4.186 -7.268 -6.343 259 HZ PHE 35 HZ PHE 35 1.881 -6.364 -6.275 260 H GLU 36 H GLU 36 2.343 -13.601 -2.421 261 HA GLU 36 HA GLU 36 3.890 -15.678 -3.818 262 1HB GLU 36 2HB GLU 36 3.787 -14.669 -1.016 263 2HB GLU 36 1HB GLU 36 4.200 -16.366 -1.262 264 1HG GLU 36 2HG GLU 36 5.849 -15.462 -3.066 265 2HG GLU 36 1HG GLU 36 5.652 -13.917 -2.235 266 H ASP 37 H ASP 37 1.281 -15.899 -4.452 267 HA ASP 37 HA ASP 37 0.568 -18.422 -3.159 268 1HB ASP 37 2HB ASP 37 -0.659 -16.634 -1.900 269 2HB ASP 37 1HB ASP 37 -1.466 -16.195 -3.406 270 H ILE 38 H ILE 38 -0.996 -16.070 -5.338 271 HA ILE 38 HA ILE 38 -1.983 -18.062 -7.104 272 HB ILE 38 HB ILE 38 -2.991 -15.817 -6.930 273 1HG1 ILE 38 2HG1 ILE 38 -1.902 -16.084 -9.731 274 2HG1 ILE 38 1HG1 ILE 38 -3.034 -17.271 -9.081 275 1HG2 ILE 38 1HG2 ILE 38 -0.890 -14.550 -6.628 276 2HG2 ILE 38 3HG2 ILE 38 -0.456 -14.881 -8.304 277 3HG2 ILE 38 2HG2 ILE 38 -1.864 -13.881 -7.938 278 1HD1 ILE 38 3HD1 ILE 38 -4.427 -15.148 -8.400 279 2HD1 ILE 38 2HD1 ILE 38 -3.468 -14.355 -9.650 280 3HD1 ILE 38 1HD1 ILE 38 -4.490 -15.733 -10.062 281 H GLY 39 H GLY 39 0.976 -16.188 -6.966 282 1HA GLY 39 2HA GLY 39 2.988 -17.218 -7.917 283 2HA GLY 39 1HA GLY 39 1.999 -17.721 -9.285 284 H TYR 40 H TYR 40 2.007 -14.583 -7.649 285 HA TYR 40 HA TYR 40 2.234 -13.207 -10.175 286 1HB TYR 40 2HB TYR 40 1.454 -12.529 -7.473 287 2HB TYR 40 1HB TYR 40 2.642 -11.365 -8.052 288 HD1 TYR 40 HD1 TYR 40 -0.354 -13.216 -9.379 289 HD2 TYR 40 HD2 TYR 40 1.832 -9.520 -9.206 290 HE1 TYR 40 HE1 TYR 40 -2.088 -12.127 -10.772 291 HE2 TYR 40 HE2 TYR 40 0.093 -8.430 -10.600 292 HH TYR 40 HH TYR 40 -2.933 -9.914 -11.253 293 H ASP 41 H ASP 41 4.268 -13.855 -10.976 294 HA ASP 41 HA ASP 41 6.693 -13.681 -9.576 295 1HB ASP 41 2HB ASP 41 7.787 -13.671 -11.780 296 2HB ASP 41 1HB ASP 41 6.517 -14.887 -11.703 297 H SER 42 H SER 42 8.382 -12.153 -9.779 298 HA SER 42 HA SER 42 7.628 -9.510 -9.217 299 1HB SER 42 2HB SER 42 10.066 -8.986 -9.549 300 2HB SER 42 1HB SER 42 9.750 -10.313 -8.434 301 HG SER 42 HG SER 42 11.201 -10.335 -10.645 302 H LEU 43 H LEU 43 8.651 -11.026 -12.233 303 HA LEU 43 HA LEU 43 9.037 -8.696 -13.759 304 1HB LEU 43 2HB LEU 43 9.412 -11.291 -14.277 305 2HB LEU 43 1HB LEU 43 7.864 -11.080 -15.096 306 HG LEU 43 HG LEU 43 9.915 -8.976 -15.567 307 1HD1 LEU 43 1HD1 LEU 43 10.083 -11.759 -16.764 308 2HD1 LEU 43 3HD1 LEU 43 11.009 -10.363 -17.314 309 3HD1 LEU 43 2HD1 LEU 43 11.274 -11.017 -15.697 310 1HD2 LEU 43 3HD2 LEU 43 7.551 -9.156 -16.568 311 2HD2 LEU 43 2HD2 LEU 43 8.870 -8.876 -17.704 312 3HD2 LEU 43 1HD2 LEU 43 8.185 -10.492 -17.530 313 H ALA 44 H ALA 44 6.106 -10.546 -13.056 314 HA ALA 44 HA ALA 44 4.432 -9.193 -14.919 315 1HB ALA 44 3HB ALA 44 3.804 -10.763 -12.417 316 2HB ALA 44 2HB ALA 44 2.563 -10.096 -13.478 317 3HB ALA 44 1HB ALA 44 3.688 -11.308 -14.090 318 H LEU 45 H LEU 45 4.529 -8.930 -11.359 319 HA LEU 45 HA LEU 45 2.870 -6.648 -11.240 320 1HB LEU 45 2HB LEU 45 3.757 -6.408 -8.912 321 2HB LEU 45 1HB LEU 45 3.131 -8.011 -9.288 322 HG LEU 45 HG LEU 45 5.812 -8.167 -10.051 323 1HD1 LEU 45 2HD1 LEU 45 5.433 -6.338 -7.710 324 2HD1 LEU 45 1HD1 LEU 45 6.789 -7.464 -7.701 325 3HD1 LEU 45 3HD1 LEU 45 6.642 -6.274 -8.994 326 1HD2 LEU 45 2HD2 LEU 45 4.066 -9.572 -8.480 327 2HD2 LEU 45 1HD2 LEU 45 5.783 -9.944 -8.618 328 3HD2 LEU 45 3HD2 LEU 45 5.198 -8.972 -7.269 329 H MET 46 H MET 46 6.157 -6.908 -12.177 330 HA MET 46 HA MET 46 6.951 -4.270 -11.309 331 1HB MET 46 2HB MET 46 8.602 -6.103 -11.641 332 2HB MET 46 1HB MET 46 8.260 -6.063 -13.371 333 1HG MET 46 2HG MET 46 9.214 -3.934 -13.636 334 2HG MET 46 1HG MET 46 9.064 -3.549 -11.922 335 1HE MET 46 3HE MET 46 11.413 -2.791 -13.311 336 2HE MET 46 2HE MET 46 12.872 -3.776 -13.223 337 3HE MET 46 1HE MET 46 11.677 -4.096 -14.477 338 H GLU 47 H GLU 47 5.473 -5.684 -14.138 339 HA GLU 47 HA GLU 47 6.005 -3.614 -15.991 340 1HB GLU 47 2HB GLU 47 3.908 -5.754 -15.788 341 2HB GLU 47 1HB GLU 47 3.786 -4.508 -17.032 342 1HG GLU 47 2HG GLU 47 6.111 -5.066 -17.758 343 2HG GLU 47 1HG GLU 47 6.127 -6.385 -16.588 344 H THR 48 H THR 48 3.043 -4.268 -14.100 345 HA THR 48 HA THR 48 1.791 -1.806 -14.780 346 HB THR 48 HB THR 48 1.244 -3.486 -12.325 347 HG1 THR 48 HG1 THR 48 0.149 -3.705 -14.930 348 1HG2 THR 48 1HG2 THR 48 -0.148 -1.300 -13.810 349 2HG2 THR 48 3HG2 THR 48 -1.138 -2.578 -13.105 350 3HG2 THR 48 2HG2 THR 48 -0.081 -1.613 -12.075 351 H ALA 49 H ALA 49 3.537 -2.890 -11.882 352 HA ALA 49 HA ALA 49 3.269 -0.563 -10.349 353 1HB ALA 49 3HB ALA 49 4.208 -2.793 -9.593 354 2HB ALA 49 2HB ALA 49 5.723 -2.324 -10.365 355 3HB ALA 49 1HB ALA 49 5.084 -1.371 -9.026 356 H ALA 50 H ALA 50 5.303 -1.230 -13.097 357 HA ALA 50 HA ALA 50 7.106 0.980 -12.609 358 1HB ALA 50 1HB ALA 50 6.700 -0.906 -14.926 359 2HB ALA 50 3HB ALA 50 7.808 0.462 -15.018 360 3HB ALA 50 2HB ALA 50 8.073 -0.809 -13.824 361 H ARG 51 H ARG 51 4.291 0.316 -14.631 362 HA ARG 51 HA ARG 51 4.354 2.661 -16.197 363 1HB ARG 51 2HB ARG 51 2.798 0.479 -16.238 364 2HB ARG 51 1HB ARG 51 1.710 1.570 -15.379 365 1HG ARG 51 2HG ARG 51 1.984 3.246 -17.186 366 2HG ARG 51 1HG ARG 51 3.024 2.118 -18.057 367 1HD ARG 51 2HD ARG 51 1.011 0.467 -17.794 368 2HD ARG 51 1HD ARG 51 0.074 1.930 -17.509 369 HE ARG 51 HE ARG 51 1.535 2.387 -19.832 370 1HH1 ARG 51 2HH1 ARG 51 -1.537 1.573 -18.956 371 2HH1 ARG 51 1HH1 ARG 51 -1.935 0.666 -20.377 372 1HH2 ARG 51 1HH2 ARG 51 1.321 0.587 -21.565 373 2HH2 ARG 51 2HH2 ARG 51 -0.319 0.108 -21.853 374 H LEU 52 H LEU 52 3.177 2.010 -12.961 375 HA LEU 52 HA LEU 52 1.930 4.637 -12.727 376 1HB LEU 52 2HB LEU 52 2.307 2.466 -10.650 377 2HB LEU 52 1HB LEU 52 1.317 3.914 -10.469 378 HG LEU 52 HG LEU 52 0.866 2.006 -12.761 379 1HD1 LEU 52 3HD1 LEU 52 -0.215 1.840 -9.934 380 2HD1 LEU 52 2HD1 LEU 52 -0.954 1.015 -11.306 381 3HD1 LEU 52 1HD1 LEU 52 0.686 0.602 -10.808 382 1HD2 LEU 52 3HD2 LEU 52 -0.759 4.105 -11.302 383 2HD2 LEU 52 2HD2 LEU 52 -0.260 4.111 -12.993 384 3HD2 LEU 52 1HD2 LEU 52 -1.480 2.965 -12.437 385 H GLU 53 H GLU 53 4.891 3.006 -11.831 386 HA GLU 53 HA GLU 53 5.795 4.721 -9.794 387 1HB GLU 53 2HB GLU 53 6.846 2.527 -10.489 388 2HB GLU 53 1HB GLU 53 7.558 3.386 -11.855 389 1HG GLU 53 2HG GLU 53 9.260 3.590 -10.284 390 2HG GLU 53 1HG GLU 53 8.352 5.072 -9.980 391 H SER 54 H SER 54 5.815 5.025 -13.284 392 HA SER 54 HA SER 54 7.423 7.470 -13.168 393 1HB SER 54 2HB SER 54 7.334 7.405 -15.613 394 2HB SER 54 1HB SER 54 7.859 5.848 -14.978 395 HG SER 54 HG SER 54 6.123 5.901 -16.650 396 H ARG 55 H ARG 55 4.114 6.419 -13.563 397 HA ARG 55 HA ARG 55 2.994 8.710 -14.735 398 1HB ARG 55 2HB ARG 55 1.927 6.389 -14.125 399 2HB ARG 55 1HB ARG 55 1.510 7.199 -12.616 400 1HG ARG 55 2HG ARG 55 -0.329 7.883 -13.779 401 2HG ARG 55 1HG ARG 55 0.769 9.105 -14.418 402 1HD ARG 55 2HD ARG 55 0.833 6.490 -15.808 403 2HD ARG 55 1HD ARG 55 -0.666 7.397 -15.979 404 HE ARG 55 HE ARG 55 1.947 8.643 -16.604 405 1HH1 ARG 55 2HH1 ARG 55 0.651 10.663 -17.538 406 2HH1 ARG 55 1HH1 ARG 55 -0.225 10.249 -18.973 407 1HH2 ARG 55 1HH2 ARG 55 -0.033 6.831 -18.423 408 2HH2 ARG 55 2HH2 ARG 55 -0.614 8.080 -19.474 409 H TYR 56 H TYR 56 2.839 7.840 -11.275 410 HA TYR 56 HA TYR 56 2.269 10.582 -10.547 411 1HB TYR 56 2HB TYR 56 2.913 8.287 -8.686 412 2HB TYR 56 1HB TYR 56 2.065 9.779 -8.293 413 HD1 TYR 56 HD1 TYR 56 0.234 10.019 -10.657 414 HD2 TYR 56 HD2 TYR 56 1.305 6.605 -8.272 415 HE1 TYR 56 HE1 TYR 56 -1.919 8.936 -11.237 416 HE2 TYR 56 HE2 TYR 56 -0.846 5.524 -8.861 417 HH TYR 56 HH TYR 56 -3.178 6.351 -9.595 418 H GLY 57 H GLY 57 5.045 8.454 -10.613 419 1HA GLY 57 2HA GLY 57 7.286 8.842 -10.232 420 2HA GLY 57 1HA GLY 57 6.921 10.554 -10.432 421 H VAL 58 H VAL 58 6.399 7.949 -8.056 422 HA VAL 58 HA VAL 58 6.077 9.635 -5.847 423 HB VAL 58 HB VAL 58 5.302 7.454 -5.536 424 1HG1 VAL 58 3HG1 VAL 58 7.551 6.682 -7.123 425 2HG1 VAL 58 2HG1 VAL 58 7.572 5.734 -5.638 426 3HG1 VAL 58 1HG1 VAL 58 6.143 5.725 -6.670 427 1HG2 VAL 58 3HG2 VAL 58 6.772 8.463 -3.627 428 2HG2 VAL 58 2HG2 VAL 58 6.247 6.783 -3.512 429 3HG2 VAL 58 1HG2 VAL 58 7.889 7.162 -4.037 430 H SER 59 H SER 59 9.007 7.549 -6.131 431 HA SER 59 HA SER 59 10.884 9.627 -6.135 432 1HB SER 59 2HB SER 59 11.574 9.161 -3.617 433 2HB SER 59 1HB SER 59 10.402 10.411 -4.022 434 HG SER 59 HG SER 59 10.079 8.067 -2.665 435 H ILE 60 H ILE 60 10.088 6.419 -4.900 436 HA ILE 60 HA ILE 60 12.849 5.523 -5.129 437 HB ILE 60 HB ILE 60 11.880 3.284 -4.500 438 1HG1 ILE 60 2HG1 ILE 60 9.509 4.257 -5.345 439 2HG1 ILE 60 1HG1 ILE 60 9.635 2.950 -4.180 440 1HG2 ILE 60 3HG2 ILE 60 11.599 5.712 -2.733 441 2HG2 ILE 60 2HG2 ILE 60 11.329 4.081 -2.121 442 3HG2 ILE 60 1HG2 ILE 60 12.905 4.526 -2.776 443 1HD1 ILE 60 3HD1 ILE 60 9.608 5.742 -3.104 444 2HD1 ILE 60 2HD1 ILE 60 8.094 5.098 -3.737 445 3HD1 ILE 60 1HD1 ILE 60 8.923 4.268 -2.420 446 HA PRO 61 HA PRO 61 12.400 3.875 -9.191 447 1HB PRO 61 2HB PRO 61 14.198 1.817 -9.134 448 2HB PRO 61 1HB PRO 61 14.658 3.525 -9.184 449 1HG PRO 61 2HG PRO 61 14.786 1.612 -6.930 450 2HG PRO 61 1HG PRO 61 15.748 3.065 -7.233 451 1HD PRO 61 2HD PRO 61 13.571 2.833 -5.430 452 2HD PRO 61 1HD PRO 61 14.371 4.339 -5.934 453 H ASP 62 H ASP 62 12.479 1.478 -10.303 454 HA ASP 62 HA ASP 62 10.085 0.165 -9.300 455 1HB ASP 62 2HB ASP 62 11.562 0.271 -11.851 456 2HB ASP 62 1HB ASP 62 10.834 -1.292 -11.485 457 H ASP 63 H ASP 63 13.422 -0.244 -8.852 458 HA ASP 63 HA ASP 63 13.626 -3.073 -8.856 459 1HB ASP 63 2HB ASP 63 15.221 -0.864 -7.585 460 2HB ASP 63 1HB ASP 63 15.576 -2.553 -7.221 461 H VAL 64 H VAL 64 12.946 -0.723 -6.274 462 HA VAL 64 HA VAL 64 12.857 -2.503 -4.115 463 HB VAL 64 HB VAL 64 12.838 -0.044 -3.877 464 1HG1 VAL 64 1HG1 VAL 64 11.184 0.321 -5.761 465 2HG1 VAL 64 3HG1 VAL 64 9.915 -0.186 -4.646 466 3HG1 VAL 64 2HG1 VAL 64 10.866 1.259 -4.302 467 1HG2 VAL 64 3HG2 VAL 64 10.520 -1.536 -2.614 468 2HG2 VAL 64 2HG2 VAL 64 12.147 -1.350 -1.958 469 3HG2 VAL 64 1HG2 VAL 64 11.079 0.048 -2.076 470 H ALA 65 H ALA 65 10.301 -1.510 -6.359 471 HA ALA 65 HA ALA 65 8.251 -3.075 -5.108 472 1HB ALA 65 2HB ALA 65 8.482 -1.716 -7.791 473 2HB ALA 65 1HB ALA 65 7.078 -2.692 -7.355 474 3HB ALA 65 3HB ALA 65 7.481 -1.257 -6.412 475 H GLY 66 H GLY 66 10.754 -3.719 -7.436 476 1HA GLY 66 2HA GLY 66 9.613 -6.020 -8.659 477 2HA GLY 66 1HA GLY 66 11.323 -5.601 -8.637 478 H ARG 67 H ARG 67 11.421 -5.459 -5.708 479 HA ARG 67 HA ARG 67 11.621 -8.347 -5.200 480 1HB ARG 67 2HB ARG 67 12.939 -5.914 -4.080 481 2HB ARG 67 1HB ARG 67 12.772 -7.324 -3.034 482 1HG ARG 67 2HG ARG 67 14.130 -8.652 -4.372 483 2HG ARG 67 1HG ARG 67 13.796 -7.709 -5.825 484 1HD ARG 67 2HD ARG 67 16.082 -7.281 -5.068 485 2HD ARG 67 1HD ARG 67 15.107 -5.827 -4.887 486 HE ARG 67 HE ARG 67 15.014 -6.302 -2.488 487 1HH1 ARG 67 2HH1 ARG 67 17.866 -6.793 -4.112 488 2HH1 ARG 67 1HH1 ARG 67 18.614 -7.802 -2.919 489 1HH2 ARG 67 1HH2 ARG 67 15.720 -8.190 -1.049 490 2HH2 ARG 67 2HH2 ARG 67 17.399 -8.593 -1.185 491 H VAL 68 H VAL 68 9.047 -6.835 -5.143 492 HA VAL 68 HA VAL 68 8.294 -6.646 -2.364 493 HB VAL 68 HB VAL 68 7.237 -5.218 -4.093 494 1HG1 VAL 68 2HG1 VAL 68 7.228 -7.149 -5.812 495 2HG1 VAL 68 1HG1 VAL 68 5.739 -7.666 -5.025 496 3HG1 VAL 68 3HG1 VAL 68 5.829 -6.078 -5.784 497 1HG2 VAL 68 2HG2 VAL 68 5.360 -7.150 -2.702 498 2HG2 VAL 68 1HG2 VAL 68 6.016 -5.663 -2.018 499 3HG2 VAL 68 3HG2 VAL 68 4.887 -5.588 -3.370 500 H ASP 69 H ASP 69 7.397 -8.171 -1.110 501 HA ASP 69 HA ASP 69 6.981 -10.835 -2.309 502 1HB ASP 69 2HB ASP 69 7.351 -10.059 0.595 503 2HB ASP 69 1HB ASP 69 7.204 -11.703 -0.025 504 H THR 70 H THR 70 5.447 -8.334 -0.369 505 HA THR 70 HA THR 70 2.930 -9.889 -0.424 506 HB THR 70 HB THR 70 2.326 -8.043 1.372 507 HG1 THR 70 HG1 THR 70 5.137 -8.289 1.628 508 1HG2 THR 70 2HG2 THR 70 2.430 -10.490 1.748 509 2HG2 THR 70 1HG2 THR 70 4.175 -10.369 1.973 510 3HG2 THR 70 3HG2 THR 70 3.081 -9.590 3.117 511 HA PRO 71 HA PRO 71 1.198 -6.729 -2.991 512 1HB PRO 71 2HB PRO 71 -1.449 -6.942 -2.345 513 2HB PRO 71 1HB PRO 71 -0.580 -8.133 -3.324 514 1HG PRO 71 2HG PRO 71 -1.478 -8.310 -0.506 515 2HG PRO 71 1HG PRO 71 -1.231 -9.598 -1.692 516 1HD PRO 71 2HD PRO 71 0.533 -8.900 0.404 517 2HD PRO 71 1HD PRO 71 0.910 -9.960 -0.975 518 H ARG 72 H ARG 72 -0.054 -6.694 0.339 519 HA ARG 72 HA ARG 72 -1.011 -4.052 0.396 520 1HB ARG 72 2HB ARG 72 -1.324 -5.917 2.143 521 2HB ARG 72 1HB ARG 72 0.238 -5.404 2.782 522 1HG ARG 72 2HG ARG 72 -1.140 -4.028 4.022 523 2HG ARG 72 1HG ARG 72 -0.900 -2.996 2.611 524 1HD ARG 72 2HD ARG 72 -3.015 -3.417 1.768 525 2HD ARG 72 1HD ARG 72 -3.135 -4.984 2.560 526 HE ARG 72 HE ARG 72 -3.078 -2.808 4.441 527 1HH1 ARG 72 1HH2 ARG 72 -5.287 -2.360 2.286 528 2HH1 ARG 72 2HH2 ARG 72 -6.659 -3.034 3.101 529 1HH2 ARG 72 2HH1 ARG 72 -4.761 -4.670 5.500 530 2HH2 ARG 72 1HH1 ARG 72 -6.360 -4.343 4.922 531 H GLU 73 H GLU 73 2.230 -5.301 0.483 532 HA GLU 73 HA GLU 73 3.457 -3.019 1.710 533 1HB GLU 73 2HB GLU 73 4.491 -5.308 1.604 534 2HB GLU 73 1HB GLU 73 4.744 -5.054 -0.122 535 1HG GLU 73 2HG GLU 73 6.305 -3.342 0.224 536 2HG GLU 73 1HG GLU 73 5.718 -3.007 1.853 537 H LEU 74 H LEU 74 2.780 -4.040 -1.597 538 HA LEU 74 HA LEU 74 4.293 -2.112 -2.975 539 1HB LEU 74 2HB LEU 74 2.794 -4.185 -3.781 540 2HB LEU 74 1HB LEU 74 1.650 -2.882 -4.099 541 HG LEU 74 HG LEU 74 3.707 -1.707 -5.220 542 1HD1 LEU 74 2HD1 LEU 74 5.201 -3.629 -4.332 543 2HD1 LEU 74 1HD1 LEU 74 4.515 -4.582 -5.649 544 3HD1 LEU 74 3HD1 LEU 74 5.434 -3.119 -6.005 545 1HD2 LEU 74 1HD2 LEU 74 2.030 -3.967 -6.290 546 2HD2 LEU 74 3HD2 LEU 74 1.914 -2.241 -6.636 547 3HD2 LEU 74 2HD2 LEU 74 3.227 -3.192 -7.329 548 H LEU 75 H LEU 75 0.882 -2.043 -1.951 549 HA LEU 75 HA LEU 75 0.292 0.553 -2.893 550 1HB LEU 75 2HB LEU 75 -1.463 -1.023 -2.231 551 2HB LEU 75 1HB LEU 75 -0.900 -0.986 -0.564 552 HG LEU 75 HG LEU 75 -1.299 1.639 -0.857 553 1HD1 LEU 75 3HD1 LEU 75 -3.111 0.347 -2.905 554 2HD1 LEU 75 2HD1 LEU 75 -3.369 1.960 -2.249 555 3HD1 LEU 75 1HD1 LEU 75 -1.918 1.615 -3.187 556 1HD2 LEU 75 1HD2 LEU 75 -2.404 0.084 0.752 557 2HD2 LEU 75 3HD2 LEU 75 -3.502 1.315 0.128 558 3HD2 LEU 75 2HD2 LEU 75 -3.574 -0.330 -0.502 559 H ASP 76 H ASP 76 1.311 -0.566 0.335 560 HA ASP 76 HA ASP 76 1.411 2.049 1.460 561 1HB ASP 76 2HB ASP 76 1.344 -0.299 2.627 562 2HB ASP 76 1HB ASP 76 3.101 -0.188 2.515 563 H LEU 77 H LEU 77 3.475 0.536 -0.777 564 HA LEU 77 HA LEU 77 5.922 1.787 0.140 565 1HB LEU 77 2HB LEU 77 5.830 -0.412 -1.114 566 2HB LEU 77 1HB LEU 77 5.415 0.518 -2.554 567 HG LEU 77 HG LEU 77 7.502 1.903 -2.121 568 1HD1 LEU 77 1HD1 LEU 77 7.743 -0.205 0.005 569 2HD1 LEU 77 3HD1 LEU 77 9.205 0.427 -0.750 570 3HD1 LEU 77 2HD1 LEU 77 8.109 1.519 0.097 571 1HD2 LEU 77 1HD2 LEU 77 7.580 -1.043 -2.781 572 2HD2 LEU 77 3HD2 LEU 77 7.655 0.332 -3.884 573 3HD2 LEU 77 2HD2 LEU 77 9.037 -0.052 -2.858 574 H ILE 78 H ILE 78 4.062 2.040 -2.907 575 HA ILE 78 HA ILE 78 5.330 4.483 -3.678 576 HB ILE 78 HB ILE 78 2.718 3.306 -4.668 577 1HG1 ILE 78 2HG1 ILE 78 4.602 2.773 -6.578 578 2HG1 ILE 78 1HG1 ILE 78 5.564 2.609 -5.111 579 1HG2 ILE 78 2HG2 ILE 78 4.489 5.556 -5.545 580 2HG2 ILE 78 1HG2 ILE 78 3.683 4.592 -6.783 581 3HG2 ILE 78 3HG2 ILE 78 2.729 5.442 -5.567 582 1HD1 ILE 78 3HD1 ILE 78 2.899 1.334 -4.989 583 2HD1 ILE 78 2HD1 ILE 78 4.014 0.614 -6.151 584 3HD1 ILE 78 1HD1 ILE 78 4.465 0.728 -4.450 585 H ASN 79 H ASN 79 2.290 3.679 -2.121 586 HA ASN 79 HA ASN 79 1.224 6.328 -2.102 587 1HB ASN 79 2HB ASN 79 -0.113 4.194 -1.846 588 2HB ASN 79 1HB ASN 79 0.520 4.086 -0.203 589 1HD2 ASN 79 2HD2 ASN 79 -2.591 5.873 0.335 590 2HD2 ASN 79 1HD2 ASN 79 -2.008 4.293 0.122 591 H GLY 80 H GLY 80 3.353 4.521 0.000 592 1HA GLY 80 2HA GLY 80 3.078 6.170 2.311 593 2HA GLY 80 1HA GLY 80 4.403 5.057 1.984 594 H ALA 81 H ALA 81 5.687 5.948 -0.116 595 HA ALA 81 HA ALA 81 7.156 8.168 0.789 596 1HB ALA 81 1HB ALA 81 7.059 6.555 -1.702 597 2HB ALA 81 3HB ALA 81 7.798 8.152 -1.825 598 3HB ALA 81 2HB ALA 81 8.434 6.972 -0.680 599 H LEU 82 H LEU 82 4.575 7.904 -1.608 600 HA LEU 82 HA LEU 82 4.677 10.573 -2.544 601 1HB LEU 82 2HB LEU 82 2.723 8.336 -2.681 602 2HB LEU 82 1HB LEU 82 2.090 9.959 -2.954 603 HG LEU 82 HG LEU 82 4.551 8.923 -4.374 604 1HD1 LEU 82 2HD1 LEU 82 1.627 8.655 -5.070 605 2HD1 LEU 82 1HD1 LEU 82 2.855 8.719 -6.334 606 3HD1 LEU 82 3HD1 LEU 82 2.890 7.426 -5.135 607 1HD2 LEU 82 2HD2 LEU 82 2.618 11.214 -4.840 608 2HD2 LEU 82 1HD2 LEU 82 4.313 11.340 -4.372 609 3HD2 LEU 82 3HD2 LEU 82 3.883 10.746 -5.976 610 H ALA 83 H ALA 83 3.109 9.056 0.202 611 HA ALA 83 HA ALA 83 1.337 11.148 0.888 612 1HB ALA 83 1HB ALA 83 2.530 8.821 2.320 613 2HB ALA 83 3HB ALA 83 1.815 10.104 3.296 614 3HB ALA 83 2HB ALA 83 0.836 9.259 2.098 615 H GLU 84 H GLU 84 4.708 10.505 1.727 616 HA GLU 84 HA GLU 84 5.019 12.591 3.617 617 1HB GLU 84 2HB GLU 84 7.017 11.199 1.823 618 2HB GLU 84 1HB GLU 84 7.471 12.373 3.059 619 1HG GLU 84 2HG GLU 84 6.454 10.991 4.798 620 2HG GLU 84 1HG GLU 84 5.883 9.843 3.586 621 H ALA 85 H ALA 85 5.149 12.487 0.118 622 HA ALA 85 HA ALA 85 6.013 15.296 0.009 623 1HB ALA 85 3HB ALA 85 5.832 13.099 -2.044 624 2HB ALA 85 2HB ALA 85 6.009 14.788 -2.519 625 3HB ALA 85 1HB ALA 85 7.251 14.014 -1.535 626 H ALA 86 HN ALA 86 3.431 14.731 1.041 627 HA ALA 86 HA ALA 86 1.623 15.538 -1.146 628 1HB ALA 86 2HB ALA 86 0.978 13.565 0.250 629 2HB ALA 86 1HB ALA 86 0.907 14.633 1.652 630 3HB ALA 86 3HB ALA 86 -0.201 14.875 0.301 No H/Q in entry = 630 Start of MODEL 24 1 1H MET 1 3H MET 1 -2.829 10.428 6.261 2 2H MET 1 2H MET 1 -3.415 9.940 7.779 3 3H MET 1 1H MET 1 -3.241 8.805 6.528 4 HA MET 1 HA MET 1 -5.503 9.212 6.511 5 1HB MET 1 2HB MET 1 -4.645 12.032 7.144 6 2HB MET 1 1HB MET 1 -6.260 11.701 6.516 7 1HG MET 1 2HG MET 1 -6.887 10.470 8.397 8 2HG MET 1 1HG MET 1 -5.218 10.095 8.831 9 1HE MET 1 3HE MET 1 -6.844 13.446 7.714 10 2HE MET 1 2HE MET 1 -8.063 12.688 8.734 11 3HE MET 1 1HE MET 1 -7.292 14.181 9.260 12 H ALA 2 H ALA 2 -3.404 9.036 4.527 13 HA ALA 2 HA ALA 2 -3.826 10.909 2.422 14 1HB ALA 2 3HB ALA 2 -2.748 8.081 2.311 15 2HB ALA 2 2HB ALA 2 -2.639 9.269 1.011 16 3HB ALA 2 1HB ALA 2 -1.790 9.546 2.532 17 H THR 3 H THR 3 -4.583 10.111 0.210 18 HA THR 3 HA THR 3 -6.697 8.126 0.227 19 HB THR 3 HB THR 3 -7.578 10.859 -0.617 20 HG1 THR 3 HG1 THR 3 -8.256 11.266 1.475 21 1HG2 THR 3 2HG2 THR 3 -8.835 8.290 0.330 22 2HG2 THR 3 1HG2 THR 3 -9.743 9.802 0.345 23 3HG2 THR 3 3HG2 THR 3 -9.115 9.166 -1.174 24 H LEU 4 H LEU 4 -4.204 8.534 -1.170 25 HA LEU 4 HA LEU 4 -5.098 9.155 -3.909 26 1HB LEU 4 2HB LEU 4 -2.436 9.123 -2.540 27 2HB LEU 4 1HB LEU 4 -2.492 8.800 -4.271 28 HG LEU 4 HG LEU 4 -2.144 11.206 -3.815 29 1HD1 LEU 4 1HD1 LEU 4 -3.726 10.174 -5.697 30 2HD1 LEU 4 3HD1 LEU 4 -4.954 11.087 -4.819 31 3HD1 LEU 4 2HD1 LEU 4 -3.553 11.918 -5.495 32 1HD2 LEU 4 3HD2 LEU 4 -3.413 11.191 -1.633 33 2HD2 LEU 4 2HD2 LEU 4 -3.828 12.534 -2.698 34 3HD2 LEU 4 1HD2 LEU 4 -4.907 11.146 -2.569 35 H LEU 5 H LEU 5 -2.697 6.879 -2.593 36 HA LEU 5 HA LEU 5 -3.651 4.864 -4.502 37 1HB LEU 5 2HB LEU 5 -1.094 5.397 -3.106 38 2HB LEU 5 1HB LEU 5 -1.510 3.698 -3.311 39 HG LEU 5 HG LEU 5 -0.165 4.630 -5.213 40 1HD1 LEU 5 1HD1 LEU 5 -2.820 3.340 -5.446 41 2HD1 LEU 5 3HD1 LEU 5 -2.169 4.010 -6.942 42 3HD1 LEU 5 2HD1 LEU 5 -1.250 2.805 -6.039 43 1HD2 LEU 5 2HD2 LEU 5 -1.590 6.878 -4.988 44 2HD2 LEU 5 1HD2 LEU 5 -0.906 6.382 -6.536 45 3HD2 LEU 5 3HD2 LEU 5 -2.605 6.068 -6.181 46 H THR 6 H THR 6 -5.612 4.668 -3.188 47 HA THR 6 HA THR 6 -5.409 3.421 -0.583 48 HB THR 6 HB THR 6 -7.320 4.839 -0.977 49 HG1 THR 6 HG1 THR 6 -8.871 3.431 -0.329 50 1HG2 THR 6 3HG2 THR 6 -7.393 3.361 -3.520 51 2HG2 THR 6 2HG2 THR 6 -8.976 3.579 -2.775 52 3HG2 THR 6 1HG2 THR 6 -7.975 4.983 -3.142 53 H THR 7 H THR 7 -6.602 1.350 -0.167 54 HA THR 7 HA THR 7 -5.406 -0.809 -1.439 55 HB THR 7 HB THR 7 -8.111 -0.846 -0.077 56 HG1 THR 7 HG1 THR 7 -5.533 -1.230 1.032 57 1HG2 THR 7 1HG2 THR 7 -6.894 -2.871 -1.425 58 2HG2 THR 7 3HG2 THR 7 -6.181 -3.076 0.174 59 3HG2 THR 7 2HG2 THR 7 -7.933 -3.118 -0.023 60 H ASP 8 H ASP 8 -8.520 0.723 -2.106 61 HA ASP 8 HA ASP 8 -9.574 -1.086 -3.953 62 1HB ASP 8 2HB ASP 8 -10.562 1.144 -2.972 63 2HB ASP 8 1HB ASP 8 -9.863 1.860 -4.425 64 H ASP 9 H ASP 9 -7.318 1.603 -4.446 65 HA ASP 9 HA ASP 9 -7.124 1.409 -7.263 66 1HB ASP 9 2HB ASP 9 -6.245 3.303 -5.779 67 2HB ASP 9 1HB ASP 9 -4.865 2.256 -5.445 68 H LEU 10 H LEU 10 -5.499 -0.229 -4.610 69 HA LEU 10 HA LEU 10 -3.414 -1.497 -5.991 70 1HB LEU 10 2HB LEU 10 -4.158 -1.486 -3.420 71 2HB LEU 10 1HB LEU 10 -4.866 -3.031 -3.883 72 HG LEU 10 HG LEU 10 -1.959 -2.221 -4.217 73 1HD1 LEU 10 3HD1 LEU 10 -2.888 -2.853 -1.901 74 2HD1 LEU 10 2HD1 LEU 10 -3.115 -4.472 -2.564 75 3HD1 LEU 10 1HD1 LEU 10 -1.497 -3.773 -2.475 76 1HD2 LEU 10 1HD2 LEU 10 -3.506 -4.682 -5.065 77 2HD2 LEU 10 3HD2 LEU 10 -2.469 -3.657 -6.057 78 3HD2 LEU 10 2HD2 LEU 10 -1.758 -4.710 -4.833 79 H ARG 11 H ARG 11 -6.735 -2.572 -5.375 80 HA ARG 11 HA ARG 11 -6.592 -5.082 -6.619 81 1HB ARG 11 2HB ARG 11 -8.513 -3.777 -5.235 82 2HB ARG 11 1HB ARG 11 -9.142 -3.588 -6.870 83 1HG ARG 11 2HG ARG 11 -9.162 -5.959 -7.233 84 2HG ARG 11 1HG ARG 11 -8.241 -6.253 -5.756 85 1HD ARG 11 2HD ARG 11 -10.656 -6.723 -5.446 86 2HD ARG 11 1HD ARG 11 -10.094 -5.428 -4.396 87 HE ARG 11 HE ARG 11 -11.060 -3.892 -6.199 88 1HH1 ARG 11 1HH2 ARG 11 -12.676 -6.250 -4.491 89 2HH1 ARG 11 2HH2 ARG 11 -14.075 -6.315 -5.510 90 1HH2 ARG 11 2HH1 ARG 11 -12.683 -4.337 -7.994 91 2HH2 ARG 11 1HH1 ARG 11 -14.078 -5.232 -7.495 92 H ARG 12 H ARG 12 -7.760 -1.980 -7.922 93 HA ARG 12 HA ARG 12 -8.348 -2.854 -10.514 94 1HB ARG 12 2HB ARG 12 -7.754 -0.222 -9.261 95 2HB ARG 12 1HB ARG 12 -7.659 -0.318 -11.020 96 1HG ARG 12 2HG ARG 12 -9.937 -1.307 -11.069 97 2HG ARG 12 1HG ARG 12 -10.034 -1.126 -9.317 98 1HD ARG 12 2HD ARG 12 -10.312 1.141 -9.430 99 2HD ARG 12 1HD ARG 12 -9.269 1.305 -10.838 100 HE ARG 12 HE ARG 12 -11.326 0.178 -12.015 101 1HH1 ARG 12 1HH2 ARG 12 -10.962 3.230 -10.851 102 2HH1 ARG 12 2HH2 ARG 12 -12.643 3.598 -10.656 103 1HH2 ARG 12 2HH1 ARG 12 -13.687 0.328 -11.149 104 2HH2 ARG 12 1HH1 ARG 12 -14.186 1.955 -10.825 105 H ALA 13 H ALA 13 -5.272 -2.154 -9.031 106 HA ALA 13 HA ALA 13 -3.834 -1.847 -11.510 107 1HB ALA 13 2HB ALA 13 -3.121 -0.878 -9.280 108 2HB ALA 13 1HB ALA 13 -2.663 -2.514 -8.808 109 3HB ALA 13 3HB ALA 13 -1.862 -1.733 -10.171 110 H LEU 14 H LEU 14 -4.557 -4.483 -9.303 111 HA LEU 14 HA LEU 14 -2.742 -6.311 -10.654 112 1HB LEU 14 2HB LEU 14 -4.495 -6.425 -8.253 113 2HB LEU 14 1HB LEU 14 -4.119 -7.947 -9.060 114 HG LEU 14 HG LEU 14 -1.870 -6.042 -8.568 115 1HD1 LEU 14 3HD1 LEU 14 -3.440 -6.403 -6.456 116 2HD1 LEU 14 2HD1 LEU 14 -2.611 -7.957 -6.390 117 3HD1 LEU 14 1HD1 LEU 14 -1.684 -6.460 -6.297 118 1HD2 LEU 14 1HD2 LEU 14 -2.300 -9.026 -8.708 119 2HD2 LEU 14 3HD2 LEU 14 -1.252 -8.019 -9.706 120 3HD2 LEU 14 2HD2 LEU 14 -0.818 -8.353 -8.031 121 H VAL 15 H VAL 15 -5.989 -5.290 -11.062 122 HA VAL 15 HA VAL 15 -6.943 -7.761 -12.224 123 HB VAL 15 HB VAL 15 -8.172 -4.998 -12.354 124 1HG1 VAL 15 1HG1 VAL 15 -9.260 -7.792 -12.804 125 2HG1 VAL 15 3HG1 VAL 15 -10.272 -6.354 -12.662 126 3HG1 VAL 15 2HG1 VAL 15 -9.128 -6.500 -13.997 127 1HG2 VAL 15 1HG2 VAL 15 -7.689 -6.507 -10.064 128 2HG2 VAL 15 3HG2 VAL 15 -8.922 -5.258 -10.229 129 3HG2 VAL 15 2HG2 VAL 15 -9.339 -6.950 -10.497 130 H GLU 16 H GLU 16 -5.427 -4.808 -13.312 131 HA GLU 16 HA GLU 16 -6.131 -4.804 -16.014 132 1HB GLU 16 2HB GLU 16 -4.435 -3.319 -14.403 133 2HB GLU 16 1HB GLU 16 -3.326 -4.088 -15.537 134 1HG GLU 16 2HG GLU 16 -3.914 -2.220 -16.766 135 2HG GLU 16 1HG GLU 16 -5.167 -3.338 -17.304 136 H CYS 17 H CYS 17 -3.860 -6.797 -14.255 137 HA CYS 17 HA CYS 17 -2.471 -7.817 -16.543 138 1HB CYS 17 2HB CYS 17 -2.736 -8.799 -13.697 139 2HB CYS 17 1HB CYS 17 -1.774 -9.637 -14.915 140 HG CYS 17 HG CYS 17 -0.038 -8.034 -14.050 141 H ALA 18 H ALA 18 -5.285 -8.822 -14.670 142 HA ALA 18 HA ALA 18 -5.620 -11.387 -15.811 143 1HB ALA 18 3HB ALA 18 -7.423 -9.464 -14.390 144 2HB ALA 18 2HB ALA 18 -8.130 -10.857 -15.208 145 3HB ALA 18 1HB ALA 18 -6.940 -11.096 -13.928 146 H GLY 19 H GLY 19 -7.705 -8.567 -16.432 147 1HA GLY 19 2HA GLY 19 -7.534 -8.023 -19.020 148 2HA GLY 19 1HA GLY 19 -8.294 -9.610 -19.104 149 H GLU 20 H GLU 20 -8.730 -6.872 -16.873 150 HA GLU 20 HA GLU 20 -10.585 -5.654 -16.279 151 1HB GLU 20 2HB GLU 20 -10.655 -5.271 -18.800 152 2HB GLU 20 1HB GLU 20 -11.862 -6.558 -18.861 153 1HG GLU 20 2HG GLU 20 -13.217 -5.293 -17.176 154 2HG GLU 20 1HG GLU 20 -12.053 -3.972 -17.290 155 H THR 21 H THR 21 -12.143 -6.121 -14.876 156 HA THR 21 HA THR 21 -14.216 -7.973 -15.216 157 HB THR 21 HB THR 21 -12.624 -9.766 -15.089 158 HG1 THR 21 HG1 THR 21 -14.006 -10.645 -13.805 159 1HG2 THR 21 1HG2 THR 21 -10.791 -8.381 -14.083 160 2HG2 THR 21 3HG2 THR 21 -11.604 -8.518 -12.525 161 3HG2 THR 21 2HG2 THR 21 -10.975 -9.960 -13.320 162 H ASP 22 H ASP 22 -15.728 -7.136 -13.966 163 HA ASP 22 HA ASP 22 -14.943 -5.654 -11.552 164 1HB ASP 22 2HB ASP 22 -17.282 -4.798 -11.613 165 2HB ASP 22 1HB ASP 22 -16.380 -4.438 -13.086 166 H GLY 23 H GLY 23 -14.998 -8.615 -11.678 167 1HA GLY 23 2HA GLY 23 -17.181 -9.174 -9.763 168 2HA GLY 23 1HA GLY 23 -16.386 -10.387 -10.761 169 H THR 24 H THR 24 -13.748 -9.868 -10.409 170 HA THR 24 HA THR 24 -11.968 -10.229 -9.014 171 HB THR 24 HB THR 24 -13.452 -9.336 -6.599 172 HG1 THR 24 HG1 THR 24 -14.230 -7.735 -7.724 173 1HG2 THR 24 2HG2 THR 24 -10.882 -9.831 -7.017 174 2HG2 THR 24 1HG2 THR 24 -10.898 -8.185 -7.651 175 3HG2 THR 24 3HG2 THR 24 -11.382 -8.493 -5.984 176 H ASP 25 H ASP 25 -11.245 -12.032 -8.089 177 HA ASP 25 HA ASP 25 -13.166 -13.718 -6.605 178 1HB ASP 25 2HB ASP 25 -11.047 -14.706 -8.530 179 2HB ASP 25 1HB ASP 25 -12.194 -15.700 -7.631 180 H LEU 26 H LEU 26 -12.384 -13.178 -4.589 181 HA LEU 26 HA LEU 26 -9.549 -13.676 -4.046 182 1HB LEU 26 2HB LEU 26 -11.643 -12.305 -2.323 183 2HB LEU 26 1HB LEU 26 -9.940 -12.473 -1.927 184 HG LEU 26 HG LEU 26 -10.233 -10.253 -2.761 185 1HD1 LEU 26 1HD1 LEU 26 -8.438 -11.966 -3.883 186 2HD1 LEU 26 3HD1 LEU 26 -9.265 -11.368 -5.321 187 3HD1 LEU 26 2HD1 LEU 26 -8.488 -10.234 -4.214 188 1HD2 LEU 26 1HD2 LEU 26 -12.387 -11.236 -4.121 189 2HD2 LEU 26 3HD2 LEU 26 -11.687 -9.642 -4.396 190 3HD2 LEU 26 2HD2 LEU 26 -11.241 -10.993 -5.438 191 H SER 27 H SER 27 -9.584 -14.317 -1.489 192 HA SER 27 HA SER 27 -11.493 -16.446 -0.949 193 1HB SER 27 2HB SER 27 -9.299 -17.210 -2.315 194 2HB SER 27 1HB SER 27 -8.666 -17.301 -0.674 195 HG SER 27 HG SER 27 -9.808 -19.217 -1.575 196 H GLY 28 H GLY 28 -11.619 -14.388 0.515 197 1HA GLY 28 2HA GLY 28 -11.577 -13.685 2.722 198 2HA GLY 28 1HA GLY 28 -10.716 -15.171 3.119 199 H ASP 29 H ASP 29 -10.445 -11.809 2.439 200 HA ASP 29 HA ASP 29 -8.695 -10.326 2.615 201 1HB ASP 29 2HB ASP 29 -8.263 -12.040 4.655 202 2HB ASP 29 1HB ASP 29 -6.806 -12.342 3.709 203 H PHE 30 H PHE 30 -8.028 -9.859 0.607 204 HA PHE 30 HA PHE 30 -6.466 -11.829 -0.897 205 1HB PHE 30 2HB PHE 30 -6.867 -10.482 -2.833 206 2HB PHE 30 1HB PHE 30 -8.387 -10.578 -1.952 207 HD1 PHE 30 HD1 PHE 30 -9.101 -8.615 -0.497 208 HD2 PHE 30 HD2 PHE 30 -5.775 -8.390 -3.205 209 HE1 PHE 30 HE1 PHE 30 -9.188 -6.143 -0.401 210 HE2 PHE 30 HE2 PHE 30 -5.864 -5.920 -3.108 211 HZ PHE 30 HZ PHE 30 -7.569 -4.792 -1.706 212 H LEU 31 H LEU 31 -5.442 -10.165 1.463 213 HA LEU 31 HA LEU 31 -3.066 -9.145 0.055 214 1HB LEU 31 2HB LEU 31 -4.412 -7.814 2.415 215 2HB LEU 31 1HB LEU 31 -2.944 -7.261 1.604 216 HG LEU 31 HG LEU 31 -5.496 -7.700 0.063 217 1HD1 LEU 31 1HD1 LEU 31 -5.387 -5.917 2.143 218 2HD1 LEU 31 3HD1 LEU 31 -4.860 -4.922 0.783 219 3HD1 LEU 31 2HD1 LEU 31 -6.418 -5.750 0.721 220 1HD2 LEU 31 2HD2 LEU 31 -2.899 -6.222 -0.342 221 2HD2 LEU 31 1HD2 LEU 31 -3.645 -7.441 -1.377 222 3HD2 LEU 31 3HD2 LEU 31 -4.330 -5.818 -1.290 223 H ASP 32 H ASP 32 -2.463 -11.376 0.626 224 HA ASP 32 HA ASP 32 -0.893 -11.352 3.082 225 1HB ASP 32 2HB ASP 32 -2.995 -13.451 2.496 226 2HB ASP 32 1HB ASP 32 -1.673 -13.698 3.636 227 H LEU 33 H LEU 33 -1.990 -13.251 0.302 228 HA LEU 33 HA LEU 33 0.794 -13.726 -0.478 229 1HB LEU 33 2HB LEU 33 -1.160 -15.813 0.355 230 2HB LEU 33 1HB LEU 33 -0.199 -16.152 -1.085 231 HG LEU 33 HG LEU 33 1.752 -15.213 0.523 232 1HD1 LEU 33 2HD1 LEU 33 -0.516 -16.019 2.270 233 2HD1 LEU 33 1HD1 LEU 33 1.079 -16.606 2.740 234 3HD1 LEU 33 3HD1 LEU 33 0.790 -14.875 2.577 235 1HD2 LEU 33 2HD2 LEU 33 0.589 -17.999 0.311 236 2HD2 LEU 33 1HD2 LEU 33 1.965 -17.326 -0.563 237 3HD2 LEU 33 3HD2 LEU 33 2.102 -17.680 1.160 238 H ARG 34 H ARG 34 -0.302 -11.923 -1.828 239 HA ARG 34 HA ARG 34 -1.983 -12.995 -3.978 240 1HB ARG 34 2HB ARG 34 -2.600 -10.842 -2.891 241 2HB ARG 34 1HB ARG 34 -1.098 -10.136 -3.485 242 1HG ARG 34 2HG ARG 34 -2.696 -9.521 -5.116 243 2HG ARG 34 1HG ARG 34 -1.894 -10.924 -5.824 244 1HD ARG 34 2HD ARG 34 -3.797 -12.249 -4.551 245 2HD ARG 34 1HD ARG 34 -4.636 -10.704 -4.639 246 HE ARG 34 HE ARG 34 -3.687 -11.232 -7.204 247 1HH1 ARG 34 2HH1 ARG 34 -4.705 -13.890 -5.636 248 2HH1 ARG 34 1HH1 ARG 34 -6.208 -14.103 -6.471 249 1HH2 ARG 34 1HH2 ARG 34 -6.122 -10.977 -7.971 250 2HH2 ARG 34 2HH2 ARG 34 -7.010 -12.454 -7.793 251 H PHE 35 H PHE 35 1.274 -11.882 -3.379 252 HA PHE 35 HA PHE 35 1.900 -11.866 -6.248 253 1HB PHE 35 2HB PHE 35 3.349 -10.978 -3.776 254 2HB PHE 35 1HB PHE 35 4.253 -11.299 -5.254 255 HD1 PHE 35 HD1 PHE 35 0.925 -9.723 -4.497 256 HD2 PHE 35 HD2 PHE 35 4.757 -9.337 -6.406 257 HE1 PHE 35 HE1 PHE 35 0.268 -7.498 -5.375 258 HE2 PHE 35 HE2 PHE 35 4.095 -7.118 -7.279 259 HZ PHE 35 HZ PHE 35 1.855 -6.197 -6.766 260 H GLU 36 H GLU 36 2.355 -13.798 -3.371 261 HA GLU 36 HA GLU 36 4.405 -15.468 -4.564 262 1HB GLU 36 2HB GLU 36 3.978 -14.866 -2.023 263 2HB GLU 36 1HB GLU 36 2.923 -16.278 -2.103 264 1HG GLU 36 2HG GLU 36 4.781 -17.634 -2.970 265 2HG GLU 36 1HG GLU 36 5.840 -16.224 -2.928 266 H ASP 37 H ASP 37 0.930 -15.540 -4.135 267 HA ASP 37 HA ASP 37 0.462 -18.288 -4.468 268 1HB ASP 37 2HB ASP 37 -1.265 -16.604 -3.813 269 2HB ASP 37 1HB ASP 37 -1.305 -16.055 -5.488 270 H ILE 38 H ILE 38 0.656 -15.704 -6.918 271 HA ILE 38 HA ILE 38 0.804 -17.815 -8.985 272 HB ILE 38 HB ILE 38 0.494 -15.085 -10.023 273 1HG1 ILE 38 2HG1 ILE 38 -1.830 -16.241 -8.444 274 2HG1 ILE 38 1HG1 ILE 38 -0.854 -14.873 -7.908 275 1HG2 ILE 38 3HG2 ILE 38 0.210 -17.413 -11.131 276 2HG2 ILE 38 2HG2 ILE 38 -1.384 -17.409 -10.377 277 3HG2 ILE 38 1HG2 ILE 38 -0.951 -16.150 -11.534 278 1HD1 ILE 38 3HD1 ILE 38 -2.178 -14.863 -10.616 279 2HD1 ILE 38 2HD1 ILE 38 -3.054 -14.354 -9.173 280 3HD1 ILE 38 1HD1 ILE 38 -1.598 -13.493 -9.670 281 H GLY 39 H GLY 39 1.957 -16.434 -11.041 282 1HA GLY 39 2HA GLY 39 4.729 -16.329 -10.162 283 2HA GLY 39 1HA GLY 39 4.156 -16.283 -11.827 284 H TYR 40 H TYR 40 4.308 -14.354 -8.854 285 HA TYR 40 HA TYR 40 4.512 -11.927 -10.536 286 1HB TYR 40 2HB TYR 40 2.938 -12.455 -8.053 287 2HB TYR 40 1HB TYR 40 3.627 -10.847 -8.277 288 HD1 TYR 40 HD1 TYR 40 1.595 -13.451 -10.027 289 HD2 TYR 40 HD2 TYR 40 2.562 -9.284 -9.674 290 HE1 TYR 40 HE1 TYR 40 -0.225 -12.897 -11.619 291 HE2 TYR 40 HE2 TYR 40 0.743 -8.726 -11.266 292 HH TYR 40 HH TYR 40 -0.576 -10.706 -13.313 293 H ASP 41 H ASP 41 6.794 -13.273 -10.019 294 HA ASP 41 HA ASP 41 8.106 -12.631 -7.597 295 1HB ASP 41 2HB ASP 41 10.202 -13.095 -8.855 296 2HB ASP 41 1HB ASP 41 8.989 -14.355 -9.064 297 H SER 42 H SER 42 7.992 -11.009 -10.744 298 HA SER 42 HA SER 42 8.179 -8.407 -9.704 299 1HB SER 42 2HB SER 42 10.598 -9.503 -9.352 300 2HB SER 42 1HB SER 42 10.784 -8.984 -11.024 301 HG SER 42 HG SER 42 11.370 -7.294 -9.687 302 H LEU 43 H LEU 43 9.103 -10.515 -12.396 303 HA LEU 43 HA LEU 43 9.037 -8.616 -14.461 304 1HB LEU 43 2HB LEU 43 8.748 -11.579 -14.315 305 2HB LEU 43 1HB LEU 43 8.251 -10.778 -15.806 306 HG LEU 43 HG LEU 43 10.863 -9.957 -14.624 307 1HD1 LEU 43 1HD1 LEU 43 10.367 -12.600 -16.023 308 2HD1 LEU 43 3HD1 LEU 43 11.962 -11.871 -15.842 309 3HD1 LEU 43 2HD1 LEU 43 11.049 -12.361 -14.415 310 1HD2 LEU 43 1HD2 LEU 43 9.886 -8.960 -16.702 311 2HD2 LEU 43 3HD2 LEU 43 11.446 -9.732 -16.985 312 3HD2 LEU 43 2HD2 LEU 43 9.957 -10.551 -17.460 313 H ALA 44 H ALA 44 6.451 -10.577 -13.042 314 HA ALA 44 HA ALA 44 4.408 -9.898 -14.863 315 1HB ALA 44 3HB ALA 44 4.210 -11.723 -13.198 316 2HB ALA 44 2HB ALA 44 4.128 -10.518 -11.912 317 3HB ALA 44 1HB ALA 44 2.849 -10.605 -13.123 318 H LEU 45 H LEU 45 5.300 -8.461 -11.735 319 HA LEU 45 HA LEU 45 3.446 -6.247 -12.155 320 1HB LEU 45 2HB LEU 45 4.226 -5.513 -9.917 321 2HB LEU 45 1HB LEU 45 3.600 -7.157 -9.933 322 HG LEU 45 HG LEU 45 6.468 -7.074 -10.509 323 1HD1 LEU 45 2HD1 LEU 45 5.395 -5.797 -8.003 324 2HD1 LEU 45 1HD1 LEU 45 6.933 -6.658 -7.980 325 3HD1 LEU 45 3HD1 LEU 45 6.720 -5.262 -9.037 326 1HD2 LEU 45 2HD2 LEU 45 4.539 -8.551 -8.760 327 2HD2 LEU 45 1HD2 LEU 45 5.705 -9.182 -9.922 328 3HD2 LEU 45 3HD2 LEU 45 6.252 -8.614 -8.344 329 H MET 46 H MET 46 6.303 -6.839 -13.488 330 HA MET 46 HA MET 46 7.841 -4.514 -12.877 331 1HB MET 46 2HB MET 46 8.765 -6.619 -13.907 332 2HB MET 46 1HB MET 46 7.964 -6.161 -15.409 333 1HG MET 46 2HG MET 46 10.135 -5.283 -15.664 334 2HG MET 46 1HG MET 46 9.194 -3.893 -15.125 335 1HE MET 46 3HE MET 46 11.773 -3.700 -15.272 336 2HE MET 46 2HE MET 46 11.994 -2.747 -13.808 337 3HE MET 46 1HE MET 46 12.918 -4.230 -14.032 338 H GLU 47 H GLU 47 5.955 -5.400 -15.774 339 HA GLU 47 HA GLU 47 6.141 -2.892 -17.039 340 1HB GLU 47 2HB GLU 47 5.255 -5.228 -17.899 341 2HB GLU 47 1HB GLU 47 3.695 -4.574 -17.401 342 1HG GLU 47 2HG GLU 47 3.949 -2.661 -18.842 343 2HG GLU 47 1HG GLU 47 5.627 -3.080 -19.193 344 H THR 48 H THR 48 3.881 -4.159 -14.661 345 HA THR 48 HA THR 48 1.913 -2.142 -14.840 346 HB THR 48 HB THR 48 2.718 -3.647 -12.342 347 HG1 THR 48 HG1 THR 48 1.835 -5.339 -13.199 348 1HG2 THR 48 3HG2 THR 48 0.248 -2.180 -13.260 349 2HG2 THR 48 2HG2 THR 48 0.176 -3.402 -11.991 350 3HG2 THR 48 1HG2 THR 48 1.164 -1.958 -11.768 351 H ALA 49 H ALA 49 4.818 -2.432 -12.829 352 HA ALA 49 HA ALA 49 4.423 0.033 -11.441 353 1HB ALA 49 2HB ALA 49 5.832 -1.820 -10.568 354 2HB ALA 49 1HB ALA 49 6.998 -1.502 -11.853 355 3HB ALA 49 3HB ALA 49 6.688 -0.279 -10.619 356 H ALA 50 H ALA 50 5.803 -0.802 -14.523 357 HA ALA 50 HA ALA 50 7.474 1.475 -14.853 358 1HB ALA 50 1HB ALA 50 6.208 -0.469 -16.773 359 2HB ALA 50 3HB ALA 50 7.123 0.924 -17.349 360 3HB ALA 50 2HB ALA 50 7.911 -0.293 -16.344 361 H ARG 51 H ARG 51 4.284 0.741 -16.280 362 HA ARG 51 HA ARG 51 3.838 3.303 -17.353 363 1HB ARG 51 2HB ARG 51 1.976 1.070 -16.557 364 2HB ARG 51 1HB ARG 51 1.373 2.588 -17.224 365 1HG ARG 51 2HG ARG 51 2.167 2.141 -19.318 366 2HG ARG 51 1HG ARG 51 3.622 1.353 -18.708 367 1HD ARG 51 2HD ARG 51 2.228 -0.313 -19.795 368 2HD ARG 51 1HD ARG 51 2.236 -0.617 -18.061 369 HE ARG 51 HE ARG 51 0.012 0.603 -18.058 370 1HH1 ARG 51 1HH2 ARG 51 0.853 -1.965 -20.035 371 2HH1 ARG 51 2HH2 ARG 51 -0.502 -1.836 -21.106 372 1HH2 ARG 51 2HH1 ARG 51 -1.575 1.197 -19.813 373 2HH2 ARG 51 1HH1 ARG 51 -1.877 -0.046 -20.980 374 H LEU 52 H LEU 52 3.018 1.906 -14.207 375 HA LEU 52 HA LEU 52 1.468 4.096 -13.275 376 1HB LEU 52 2HB LEU 52 1.850 1.631 -12.321 377 2HB LEU 52 1HB LEU 52 3.033 2.481 -11.325 378 HG LEU 52 HG LEU 52 1.005 4.200 -11.053 379 1HD1 LEU 52 3HD1 LEU 52 -0.295 2.478 -12.604 380 2HD1 LEU 52 2HD1 LEU 52 -0.544 1.638 -11.073 381 3HD1 LEU 52 1HD1 LEU 52 -1.116 3.294 -11.274 382 1HD2 LEU 52 1HD2 LEU 52 2.236 2.887 -9.279 383 2HD2 LEU 52 3HD2 LEU 52 0.526 3.142 -8.932 384 3HD2 LEU 52 2HD2 LEU 52 1.081 1.579 -9.530 385 H GLU 53 H GLU 53 4.903 3.509 -13.452 386 HA GLU 53 HA GLU 53 5.825 5.296 -11.494 387 1HB GLU 53 2HB GLU 53 7.129 3.607 -13.014 388 2HB GLU 53 1HB GLU 53 7.278 4.990 -14.098 389 1HG GLU 53 2HG GLU 53 7.871 5.567 -11.255 390 2HG GLU 53 1HG GLU 53 9.004 4.469 -12.042 391 H SER 54 H SER 54 4.610 5.838 -14.730 392 HA SER 54 HA SER 54 5.396 8.661 -14.667 393 1HB SER 54 2HB SER 54 4.718 8.758 -16.949 394 2HB SER 54 1HB SER 54 5.570 7.229 -16.758 395 HG SER 54 HG SER 54 3.798 6.360 -17.462 396 H ARG 55 H ARG 55 2.629 6.643 -14.095 397 HA ARG 55 HA ARG 55 0.524 8.417 -14.580 398 1HB ARG 55 2HB ARG 55 0.322 5.976 -13.981 399 2HB ARG 55 1HB ARG 55 0.642 6.429 -12.307 400 1HG ARG 55 2HG ARG 55 -1.625 6.648 -12.193 401 2HG ARG 55 1HG ARG 55 -1.318 8.217 -12.937 402 1HD ARG 55 2HD ARG 55 -1.706 5.741 -14.614 403 2HD ARG 55 1HD ARG 55 -3.081 6.682 -14.046 404 HE ARG 55 HE ARG 55 -0.937 7.783 -15.775 405 1HH1 ARG 55 1HH2 ARG 55 -2.995 9.572 -14.301 406 2HH1 ARG 55 2HH2 ARG 55 -4.129 9.871 -15.576 407 1HH2 ARG 55 2HH1 ARG 55 -2.937 7.320 -17.598 408 2HH2 ARG 55 1HH1 ARG 55 -4.096 8.597 -17.442 409 H TYR 56 H TYR 56 2.161 7.780 -11.467 410 HA TYR 56 HA TYR 56 1.085 10.333 -10.463 411 1HB TYR 56 2HB TYR 56 1.946 7.786 -9.175 412 2HB TYR 56 1HB TYR 56 2.166 9.281 -8.265 413 HD1 TYR 56 HD1 TYR 56 0.067 10.949 -8.409 414 HD2 TYR 56 HD2 TYR 56 -0.105 6.692 -8.965 415 HE1 TYR 56 HE1 TYR 56 -2.350 10.974 -7.857 416 HE2 TYR 56 HE2 TYR 56 -2.522 6.718 -8.415 417 HH TYR 56 HH TYR 56 -4.397 9.329 -8.496 418 H GLY 57 H GLY 57 4.095 8.539 -10.921 419 1HA GLY 57 2HA GLY 57 6.187 9.520 -11.424 420 2HA GLY 57 1HA GLY 57 5.573 11.068 -10.851 421 H VAL 58 H VAL 58 5.267 8.053 -9.081 422 HA VAL 58 HA VAL 58 6.325 9.158 -6.699 423 HB VAL 58 HB VAL 58 4.700 7.309 -6.721 424 1HG1 VAL 58 3HG1 VAL 58 6.145 6.222 -8.715 425 2HG1 VAL 58 2HG1 VAL 58 6.809 5.310 -7.358 426 3HG1 VAL 58 1HG1 VAL 58 5.077 5.264 -7.689 427 1HG2 VAL 58 3HG2 VAL 58 6.447 7.701 -4.856 428 2HG2 VAL 58 2HG2 VAL 58 5.592 6.160 -4.871 429 3HG2 VAL 58 1HG2 VAL 58 7.240 6.261 -5.490 430 H SER 59 H SER 59 8.202 8.378 -5.526 431 HA SER 59 HA SER 59 10.439 7.653 -7.327 432 1HB SER 59 2HB SER 59 10.436 9.500 -4.931 433 2HB SER 59 1HB SER 59 11.897 8.925 -5.727 434 HG SER 59 HG SER 59 11.583 10.461 -7.112 435 H ILE 60 H ILE 60 10.962 5.602 -6.941 436 HA ILE 60 HA ILE 60 11.660 4.793 -4.236 437 HB ILE 60 HB ILE 60 10.276 2.707 -4.386 438 1HG1 ILE 60 2HG1 ILE 60 8.535 4.090 -6.388 439 2HG1 ILE 60 1HG1 ILE 60 9.968 3.252 -6.984 440 1HG2 ILE 60 3HG2 ILE 60 9.600 4.754 -3.083 441 2HG2 ILE 60 2HG2 ILE 60 8.644 5.260 -4.476 442 3HG2 ILE 60 1HG2 ILE 60 8.240 3.770 -3.624 443 1HD1 ILE 60 2HD1 ILE 60 9.123 1.296 -5.446 444 2HD1 ILE 60 1HD1 ILE 60 7.570 2.124 -5.567 445 3HD1 ILE 60 3HD1 ILE 60 8.377 1.543 -7.024 446 HA PRO 61 HA PRO 61 14.553 2.397 -6.559 447 1HB PRO 61 2HB PRO 61 15.211 0.462 -4.747 448 2HB PRO 61 1HB PRO 61 15.730 2.149 -4.618 449 1HG PRO 61 2HG PRO 61 13.697 0.687 -3.049 450 2HG PRO 61 1HG PRO 61 14.641 2.118 -2.614 451 1HD PRO 61 2HD PRO 61 11.926 2.066 -3.474 452 2HD PRO 61 1HD PRO 61 12.942 3.507 -3.234 453 H ASP 62 H ASP 62 15.076 0.241 -7.435 454 HA ASP 62 HA ASP 62 12.648 -1.208 -8.141 455 1HB ASP 62 2HB ASP 62 15.394 -0.962 -9.224 456 2HB ASP 62 1HB ASP 62 14.616 -2.528 -9.450 457 H ASP 63 H ASP 63 15.058 -1.506 -5.766 458 HA ASP 63 HA ASP 63 15.150 -4.393 -5.708 459 1HB ASP 63 2HB ASP 63 16.994 -2.807 -4.903 460 2HB ASP 63 1HB ASP 63 15.990 -2.551 -3.475 461 H VAL 64 H VAL 64 13.605 -1.834 -3.781 462 HA VAL 64 HA VAL 64 12.390 -3.654 -1.940 463 HB VAL 64 HB VAL 64 12.837 -1.282 -1.386 464 1HG1 VAL 64 1HG1 VAL 64 12.151 -0.417 -3.670 465 2HG1 VAL 64 3HG1 VAL 64 10.475 -0.629 -3.160 466 3HG1 VAL 64 2HG1 VAL 64 11.523 0.501 -2.302 467 1HG2 VAL 64 1HG2 VAL 64 11.061 -2.660 -0.229 468 2HG2 VAL 64 3HG2 VAL 64 10.795 -0.918 -0.155 469 3HG2 VAL 64 2HG2 VAL 64 9.874 -1.902 -1.291 470 H ALA 65 H ALA 65 11.197 -1.910 -4.797 471 HA ALA 65 HA ALA 65 8.569 -3.108 -4.592 472 1HB ALA 65 2HB ALA 65 9.074 -0.805 -5.570 473 2HB ALA 65 1HB ALA 65 9.686 -1.655 -6.988 474 3HB ALA 65 3HB ALA 65 7.998 -1.837 -6.512 475 H GLY 66 H GLY 66 11.567 -3.778 -6.243 476 1HA GLY 66 2HA GLY 66 10.486 -5.529 -8.233 477 2HA GLY 66 1HA GLY 66 12.177 -5.414 -7.760 478 H ARG 67 H ARG 67 11.578 -5.910 -4.923 479 HA ARG 67 HA ARG 67 11.220 -8.831 -5.122 480 1HB ARG 67 2HB ARG 67 12.747 -7.051 -3.263 481 2HB ARG 67 1HB ARG 67 12.184 -8.617 -2.677 482 1HG ARG 67 2HG ARG 67 13.639 -8.394 -5.307 483 2HG ARG 67 1HG ARG 67 14.532 -8.496 -3.789 484 1HD ARG 67 2HD ARG 67 12.812 -10.516 -3.387 485 2HD ARG 67 1HD ARG 67 12.852 -10.549 -5.145 486 HE ARG 67 HE ARG 67 15.498 -10.437 -4.079 487 1HH1 ARG 67 1HH2 ARG 67 13.295 -12.636 -3.010 488 2HH1 ARG 67 2HH2 ARG 67 14.000 -14.034 -3.749 489 1HH2 ARG 67 2HH1 ARG 67 16.203 -12.214 -5.711 490 2HH2 ARG 67 1HH1 ARG 67 15.646 -13.795 -5.278 491 H VAL 68 H VAL 68 8.990 -6.925 -5.080 492 HA VAL 68 HA VAL 68 7.841 -6.944 -2.454 493 HB VAL 68 HB VAL 68 7.212 -5.247 -4.139 494 1HG1 VAL 68 1HG1 VAL 68 7.246 -7.012 -6.041 495 2HG1 VAL 68 3HG1 VAL 68 5.595 -7.370 -5.537 496 3HG1 VAL 68 2HG1 VAL 68 6.012 -5.754 -6.102 497 1HG2 VAL 68 1HG2 VAL 68 5.633 -6.274 -2.265 498 2HG2 VAL 68 3HG2 VAL 68 5.016 -5.090 -3.417 499 3HG2 VAL 68 2HG2 VAL 68 4.701 -6.806 -3.665 500 H ASP 69 H ASP 69 7.339 -8.785 -1.485 501 HA ASP 69 HA ASP 69 6.373 -11.063 -3.052 502 1HB ASP 69 2HB ASP 69 7.496 -10.704 -0.312 503 2HB ASP 69 1HB ASP 69 6.420 -12.070 -0.598 504 H THR 70 H THR 70 5.072 -8.493 -1.202 505 HA THR 70 HA THR 70 2.492 -9.928 -1.066 506 HB THR 70 HB THR 70 2.103 -8.329 0.974 507 HG1 THR 70 HG1 THR 70 4.140 -8.100 2.102 508 1HG2 THR 70 3HG2 THR 70 3.736 -10.866 0.939 509 2HG2 THR 70 2HG2 THR 70 3.254 -10.098 2.451 510 3HG2 THR 70 1HG2 THR 70 2.026 -10.670 1.322 511 HA PRO 71 HA PRO 71 0.908 -6.362 -3.144 512 1HB PRO 71 2HB PRO 71 -1.691 -6.376 -2.309 513 2HB PRO 71 1HB PRO 71 -1.028 -7.545 -3.462 514 1HG PRO 71 2HG PRO 71 -1.711 -7.900 -0.598 515 2HG PRO 71 1HG PRO 71 -1.736 -9.082 -1.914 516 1HD PRO 71 2HD PRO 71 0.270 -8.843 0.046 517 2HD PRO 71 1HD PRO 71 0.413 -9.743 -1.482 518 H ARG 72 H ARG 72 -0.202 -6.549 0.237 519 HA ARG 72 HA ARG 72 -0.869 -3.877 0.658 520 1HB ARG 72 2HB ARG 72 -1.147 -5.926 2.220 521 2HB ARG 72 1HB ARG 72 0.471 -5.517 2.791 522 1HG ARG 72 2HG ARG 72 -0.877 -4.289 4.254 523 2HG ARG 72 1HG ARG 72 -0.508 -3.095 3.011 524 1HD ARG 72 2HD ARG 72 -2.643 -3.096 2.180 525 2HD ARG 72 1HD ARG 72 -2.889 -4.805 2.528 526 HE ARG 72 HE ARG 72 -2.856 -3.736 5.006 527 1HH1 ARG 72 2HH1 ARG 72 -3.627 -1.062 4.229 528 2HH1 ARG 72 1HH1 ARG 72 -5.352 -1.128 4.081 529 1HH2 ARG 72 1HH2 ARG 72 -5.465 -4.589 3.883 530 2HH2 ARG 72 2HH2 ARG 72 -6.393 -3.126 3.884 531 H GLU 73 H GLU 73 2.269 -5.333 0.330 532 HA GLU 73 HA GLU 73 3.745 -3.270 1.671 533 1HB GLU 73 2HB GLU 73 4.600 -5.602 1.270 534 2HB GLU 73 1HB GLU 73 4.754 -5.190 -0.438 535 1HG GLU 73 2HG GLU 73 6.469 -3.661 -0.056 536 2HG GLU 73 1HG GLU 73 5.991 -3.389 1.620 537 H LEU 74 H LEU 74 3.059 -4.031 -1.739 538 HA LEU 74 HA LEU 74 4.505 -1.924 -2.905 539 1HB LEU 74 2HB LEU 74 3.017 -3.992 -3.883 540 2HB LEU 74 1HB LEU 74 1.957 -2.627 -4.231 541 HG LEU 74 HG LEU 74 4.320 -1.577 -5.032 542 1HD1 LEU 74 1HD1 LEU 74 4.506 -4.578 -5.383 543 2HD1 LEU 74 3HD1 LEU 74 5.431 -3.446 -6.369 544 3HD1 LEU 74 2HD1 LEU 74 5.683 -3.504 -4.625 545 1HD2 LEU 74 3HD2 LEU 74 2.004 -2.144 -6.224 546 2HD2 LEU 74 2HD2 LEU 74 3.437 -1.741 -7.169 547 3HD2 LEU 74 1HD2 LEU 74 2.967 -3.427 -6.957 548 H LEU 75 H LEU 75 1.112 -2.092 -1.878 549 HA LEU 75 HA LEU 75 0.320 0.479 -2.683 550 1HB LEU 75 2HB LEU 75 -1.249 -1.299 -1.954 551 2HB LEU 75 1HB LEU 75 -0.667 -1.116 -0.301 552 HG LEU 75 HG LEU 75 -1.296 1.433 -0.714 553 1HD1 LEU 75 3HD1 LEU 75 -2.863 -0.115 -2.772 554 2HD1 LEU 75 2HD1 LEU 75 -3.494 1.373 -2.071 555 3HD1 LEU 75 1HD1 LEU 75 -1.981 1.399 -2.972 556 1HD2 LEU 75 3HD2 LEU 75 -3.296 -0.783 -0.185 557 2HD2 LEU 75 2HD2 LEU 75 -2.277 0.012 1.016 558 3HD2 LEU 75 1HD2 LEU 75 -3.555 0.918 0.203 559 H ASP 76 H ASP 76 1.450 -0.631 0.514 560 HA ASP 76 HA ASP 76 1.402 1.883 1.770 561 1HB ASP 76 2HB ASP 76 1.682 -0.417 2.851 562 2HB ASP 76 1HB ASP 76 3.391 -0.282 2.434 563 H LEU 77 H LEU 77 3.635 0.591 -0.547 564 HA LEU 77 HA LEU 77 5.883 2.214 0.201 565 1HB LEU 77 2HB LEU 77 5.208 0.628 -2.271 566 2HB LEU 77 1HB LEU 77 6.664 1.614 -2.162 567 HG LEU 77 HG LEU 77 6.022 -0.308 0.043 568 1HD1 LEU 77 1HD1 LEU 77 6.832 -0.966 -2.741 569 2HD1 LEU 77 3HD1 LEU 77 7.724 -1.777 -1.454 570 3HD1 LEU 77 2HD1 LEU 77 5.972 -1.951 -1.557 571 1HD2 LEU 77 1HD2 LEU 77 7.877 1.332 0.259 572 2HD2 LEU 77 3HD2 LEU 77 8.474 -0.327 0.246 573 3HD2 LEU 77 2HD2 LEU 77 8.611 0.671 -1.201 574 H ILE 78 H ILE 78 3.926 2.295 -2.772 575 HA ILE 78 HA ILE 78 4.776 4.807 -3.658 576 HB ILE 78 HB ILE 78 2.060 3.547 -4.122 577 1HG1 ILE 78 2HG1 ILE 78 4.243 3.355 -6.131 578 2HG1 ILE 78 1HG1 ILE 78 4.453 2.379 -4.677 579 1HG2 ILE 78 1HG2 ILE 78 3.617 5.754 -5.472 580 2HG2 ILE 78 3HG2 ILE 78 2.394 4.833 -6.347 581 3HG2 ILE 78 2HG2 ILE 78 1.941 5.771 -4.924 582 1HD1 ILE 78 2HD1 ILE 78 2.002 2.366 -6.464 583 2HD1 ILE 78 1HD1 ILE 78 3.246 1.116 -6.419 584 3HD1 ILE 78 3HD1 ILE 78 2.219 1.389 -5.012 585 H ASN 79 H ASN 79 2.055 3.963 -1.583 586 HA ASN 79 HA ASN 79 0.901 6.532 -1.387 587 1HB ASN 79 2HB ASN 79 0.207 4.044 -0.503 588 2HB ASN 79 1HB ASN 79 0.702 4.807 1.006 589 1HD2 ASN 79 2HD2 ASN 79 -2.937 5.552 0.179 590 2HD2 ASN 79 1HD2 ASN 79 -2.061 4.098 0.200 591 H GLY 80 H GLY 80 3.537 4.971 0.327 592 1HA GLY 80 2HA GLY 80 3.714 6.900 2.442 593 2HA GLY 80 1HA GLY 80 4.932 5.701 2.023 594 H ALA 81 H ALA 81 5.037 6.635 -0.788 595 HA ALA 81 HA ALA 81 7.081 8.620 -0.436 596 1HB ALA 81 1HB ALA 81 5.823 7.354 -2.870 597 2HB ALA 81 3HB ALA 81 7.050 8.616 -2.990 598 3HB ALA 81 2HB ALA 81 7.437 7.083 -2.209 599 H LEU 82 H LEU 82 3.752 8.623 -1.619 600 HA LEU 82 HA LEU 82 3.815 11.369 -2.473 601 1HB LEU 82 2HB LEU 82 1.733 9.251 -2.225 602 2HB LEU 82 1HB LEU 82 1.194 10.930 -2.259 603 HG LEU 82 HG LEU 82 2.963 11.015 -4.285 604 1HD1 LEU 82 2HD1 LEU 82 3.306 8.469 -3.818 605 2HD1 LEU 82 1HD1 LEU 82 1.760 8.278 -4.645 606 3HD1 LEU 82 3HD1 LEU 82 3.127 9.005 -5.489 607 1HD2 LEU 82 2HD2 LEU 82 0.324 11.341 -4.077 608 2HD2 LEU 82 1HD2 LEU 82 1.102 11.200 -5.653 609 3HD2 LEU 82 3HD2 LEU 82 0.305 9.800 -4.934 610 H ALA 83 H ALA 83 3.002 9.672 0.479 611 HA ALA 83 HA ALA 83 1.612 11.805 1.755 612 1HB ALA 83 1HB ALA 83 1.902 9.222 2.384 613 2HB ALA 83 3HB ALA 83 3.184 9.884 3.399 614 3HB ALA 83 2HB ALA 83 1.524 10.443 3.599 615 H GLU 84 H GLU 84 4.929 10.577 2.237 616 HA GLU 84 HA GLU 84 5.795 12.665 3.905 617 1HB GLU 84 2HB GLU 84 6.895 10.320 2.960 618 2HB GLU 84 1HB GLU 84 7.874 11.544 2.153 619 1HG GLU 84 2HG GLU 84 9.041 11.459 4.123 620 2HG GLU 84 1HG GLU 84 7.806 12.613 4.625 621 H ALA 85 H ALA 85 5.579 12.394 0.420 622 HA ALA 85 HA ALA 85 7.269 14.533 -0.303 623 1HB ALA 85 1HB ALA 85 4.819 13.399 -1.668 624 2HB ALA 85 3HB ALA 85 5.873 14.611 -2.396 625 3HB ALA 85 2HB ALA 85 6.505 13.012 -2.006 626 H ALA 86 HN ALA 86 3.716 14.634 -0.529 627 HA ALA 86 HA ALA 86 3.804 17.375 0.582 628 1HB ALA 86 3HB ALA 86 2.288 16.345 -1.815 629 2HB ALA 86 2HB ALA 86 1.827 17.824 -0.973 630 3HB ALA 86 1HB ALA 86 3.413 17.702 -1.737 No H/Q in entry = 630
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