Statistics Calculated for All Chemical Shifts from Atoms in the 20 Common Amino Acids
Compound ID | Atom Name | Number of Shifts | Minimum Shift | Maximum Shift | Average Shift | Standard Deviation | Shift Outliers | Distribution Histogram | ALA | H | 103614 | -0.914 | 131.25 | 8.193 | 0.823 | 198 | |
HA | 65485 | -2.52 | 17.870 | 4.243 | 0.439 | 1278 | |
HN | 1 | 8.32 | 8.32 | 8.320 | | | |
MB | 63437 | -14.040 | 5.48 | 1.353 | 0.276 | 1150 | |
C | 66824 | 0.037 | 179157 | 180.430 | 692.376 | 1 | |
CA | 91233 | 17.007 | 354.698 | 53.155 | 2.657 | 95 | |
CB | 86705 | -40.993 | 318.868 | 19.029 | 2.905 | 216 | |
N | 99514 | 0.049 | 766 | 123.365 | 5.728 | 115 | |
ARG | H | 68249 | 0.011 | 178 | 8.239 | 0.994 | 44 | |
HA | 44684 | 1.212 | 12.57 | 4.287 | 0.465 | 538 | |
HB2 | 40344 | -4.78 | 27.530 | 1.789 | 0.308 | 523 | |
HB3 | 38106 | -2.880 | 27.530 | 1.760 | 0.319 | 548 | |
HD2 | 35339 | -6.44 | 5.0 | 3.108 | 0.264 | 697 | |
HD3 | 32194 | -0.690 | 44.092 | 3.094 | 0.364 | 390 | |
HE | 11925 | 1.150 | 116.661 | 7.442 | 2.720 | 7 | |
HG2 | 35966 | -1.45 | 4.2 | 1.558 | 0.282 | 663 | |
HG3 | 33350 | -1.298 | 5.47 | 1.540 | 0.297 | 691 | |
HH11 | 1001 | 4.41 | 11.7 | 6.932 | 0.569 | 22 | |
HH12 | 763 | 4.41 | 10.727 | 6.879 | 0.536 | 18 | |
HH21 | 864 | 1.233 | 11.352 | 6.826 | 0.644 | 19 | |
HH22 | 710 | 1.233 | 60.1410 | 6.906 | 2.099 | 1 | |
C | 41893 | 0.174 | 184.96 | 176.432 | 3.207 | 14 | |
CA | 59047 | 8.369 | 358.124 | 56.777 | 3.194 | 66 | |
CB | 54763 | 15.013 | 329.120 | 30.671 | 2.409 | 154 | |
CD | 30860 | 18.9350 | 342.642 | 43.200 | 2.803 | 47 | |
CG | 30629 | 1.0 | 328.290 | 27.253 | 2.910 | 56 | |
CZ | 868 | 43.199 | 184.497 | 160.091 | 7.029 | 9 | |
N | 63914 | 0.125 | 433.808 | 120.839 | 4.582 | 101 | |
NE | 7425 | -23.150 | 149.1080 | 89.927 | 13.502 | 58 | |
NH1 | 302 | 6.450 | 124.7890 | 78.903 | 13.589 | 6 | |
NH2 | 263 | 66.2 | 128.470 | 78.770 | 13.982 | 7 | |
ASN | H | 56350 | 0.008 | 118.641 | 8.354 | 1.927 | 22 | |
HA | 36672 | 0.896 | 7.110 | 4.660 | 0.360 | 501 | |
HB2 | 34255 | -0.827 | 8.883 | 2.799 | 0.334 | 548 | |
HB3 | 33052 | -0.948 | 5.958 | 2.743 | 0.358 | 555 | |
HD21 | 25507 | 0.687 | 111.320 | 7.336 | 0.827 | 53 | |
HD22 | 25183 | 0.905 | 111.320 | 7.144 | 0.842 | 116 | |
C | 35330 | 0.114 | 187.551 | 175.219 | 3.471 | 21 | |
CA | 49569 | 2.200 | 354.022 | 53.534 | 3.312 | 35 | |
CB | 46856 | 1.9620 | 342.798 | 38.712 | 3.369 | 51 | |
CG | 2957 | 0.000 | 185.503 | 176.224 | 8.793 | 12 | |
N | 53357 | 0.041 | 426.314 | 118.924 | 5.280 | 41 | |
ND2 | 22112 | 21.038 | 1114.29 | 112.875 | 12.138 | 12 | |
ASP | H | 81139 | -0.35 | 25.876 | 8.296 | 0.582 | 680 | |
HA | 51451 | -3.75 | 8.66 | 4.583 | 0.324 | 753 | |
HB2 | 47793 | -5.2 | 37.4 | 2.716 | 0.493 | 100 | |
HB3 | 45836 | -1.46 | 37.2 | 2.666 | 0.500 | 120 | |
HD2 | 22 | 0.968 | 12.30 | 5.611 | 3.198 | | |
C | 51819 | 0.106 | 184.14 | 176.366 | 3.373 | 27 | |
CA | 71324 | 5.630 | 354.531 | 54.678 | 2.618 | 74 | |
CB | 67397 | 9.7 | 341.273 | 40.878 | 2.436 | 173 | |
CG | 1126 | 2.637 | 188.215 | 177.327 | 17.552 | 14 | |
N | 78284 | 0.061 | 428.093 | 120.716 | 4.514 | 120 | |
CYS | H | 27223 | 3.723 | 12.660 | 8.374 | 0.694 | 160 | |
HA | 21229 | -9.858 | 43.5 | 4.677 | 0.946 | 70 | |
HB2 | 20407 | -39.82 | 363.580 | 3.120 | 6.083 | 43 | |
HB3 | 19885 | -44.2 | 363.580 | 3.045 | 5.515 | 43 | |
HG | 294 | -1.830 | 10.700 | 2.080 | 1.386 | 6 | |
C | 13137 | 1.000 | 187.591 | 174.749 | 3.318 | 10 | |
CA | 19947 | 30.6688 | 90.374 | 57.986 | 3.490 | 24 | |
CB | 18969 | 17.850 | 111.008 | 33.465 | 6.661 | 21 | |
N | 22049 | -147 | 628 | 120.345 | 16.937 | 82 | |
GLN | H | 59234 | 0.000 | 122.824 | 8.243 | 1.876 | 23 | |
HA | 37091 | 0.000 | 7.43 | 4.263 | 0.428 | 617 | |
HB2 | 33521 | -1.514 | 10.461 | 2.043 | 0.273 | 451 | |
HB3 | 31817 | -1.4980 | 20.9 | 2.014 | 0.320 | 380 | |
HE21 | 23461 | -3.41 | 23.893 | 7.223 | 0.499 | 199 | |
HE22 | 23178 | 0.000 | 113.695 | 7.037 | 0.853 | 35 | |
HG2 | 31176 | -1.76 | 33.5990 | 2.314 | 0.330 | 371 | |
HG3 | 28849 | -1.395 | 34.946 | 2.295 | 0.353 | 410 | |
C | 38175 | 0.069 | 1755.998 | 176.331 | 8.794 | 16 | |
CA | 52474 | 1.733 | 356.830 | 56.546 | 2.540 | 53 | |
CB | 48781 | 1.843 | 328.286 | 29.176 | 2.414 | 163 | |
CD | 2958 | 6.789 | 190.624 | 179.336 | 7.187 | 7 | |
CG | 28082 | 2.097 | 333.032 | 33.809 | 2.447 | 44 | |
N | 57120 | 0.000 | 418.059 | 119.986 | 4.412 | 110 | |
NE2 | 21168 | 33.9 | 412.160 | 111.875 | 2.913 | 70 | |
GLU | H | 104886 | 0.008 | 123.2260 | 8.329 | 0.800 | 252 | |
HA | 67003 | 0.433 | 8.02 | 4.239 | 0.409 | 1238 | |
HB2 | 60341 | -1.470 | 4.82 | 2.018 | 0.221 | 856 | |
HB3 | 56718 | -1.633 | 8.095 | 1.995 | 0.227 | 817 | |
HE2 | 39 | 0.801 | 11.96 | 4.820 | 1.895 | 1 | |
HG2 | 55553 | -0.674 | 4.69 | 2.265 | 0.219 | 934 | |
HG3 | 51684 | -0.10 | 4.69 | 2.246 | 0.222 | 835 | |
C | 67982 | 0.074 | 184.71 | 176.843 | 4.064 | 45 | |
CA | 92165 | 1.056 | 360.826 | 57.322 | 3.122 | 84 | |
CB | 85935 | 9.08 | 330.834 | 29.993 | 2.975 | 136 | |
CD | 1197 | 0.000 | 198.609 | 181.201 | 13.689 | 8 | |
CG | 50295 | 6.16 | 337.230 | 36.142 | 2.831 | 69 | |
N | 101490 | 0.044 | 422.043 | 120.743 | 4.502 | 138 | |
GLY | H | 102758 | -15.3 | 121.881 | 8.327 | 0.813 | 604 | |
H1 | 2 | 8.373 | 8.677 | 8.525 | 0.215 | | |
HA2 | 64154 | -3.4 | 8.64 | 3.959 | 0.394 | 1042 | |
HA3 | 60899 | -3.936 | 43.9930 | 3.891 | 0.432 | 866 | |
C | 64899 | 1.000 | 189.533 | 173.827 | 3.562 | 65 | |
CA | 90839 | 2.200 | 344.994 | 45.366 | 2.106 | 186 | |
N | 97645 | 0.2 | 791 | 109.637 | 6.572 | 260 | |
HIS | H | 28822 | -0.3 | 13.34 | 8.253 | 0.723 | 296 | |
HA | 19267 | 0.676 | 11.38 | 4.615 | 0.555 | 240 | |
HB2 | 17896 | -2.168 | 45.897 | 3.154 | 1.074 | 132 | |
HB3 | 17337 | -6.2 | 38.5 | 3.096 | 1.047 | 140 | |
HD1 | 1104 | -15 | 86.5 | 9.849 | 8.261 | 27 | |
HD2 | 12487 | -25.85 | 67.8 | 7.138 | 3.149 | 90 | |
HE1 | 9801 | -26.6 | 134.811 | 7.841 | 2.452 | 70 | |
HE2 | 422 | -15 | 76.4 | 11.080 | 7.591 | 11 | |
C | 17759 | 1.000 | 184.204 | 175.138 | 4.567 | 16 | |
CA | 25490 | 11.40 | 355.084 | 56.504 | 3.274 | 66 | |
CB | 23871 | 13.496 | 329.046 | 30.313 | 3.046 | 70 | |
CD2 | 8236 | 7.19 | 159.946 | 119.911 | 5.491 | 59 | |
CE1 | 6453 | 8.198 | 166.282 | 137.262 | 5.504 | 61 | |
CG | 325 | 18.669 | 139.83 | 131.481 | 8.784 | 3 | |
N | 27203 | 0.2 | 427.146 | 119.685 | 5.091 | 47 | |
ND1 | 888 | 31.026 | 261.013 | 191.282 | 33.385 | 2 | |
NE2 | 802 | 17.0 | 257.572 | 180.675 | 20.022 | 21 | |
ILE | H | 70563 | 0.008 | 11.871 | 8.257 | 0.690 | 374 | |
HA | 45190 | -9.0 | 173.538 | 4.163 | 0.975 | 7 | |
HB | 42373 | -2.442 | 38.700 | 1.785 | 0.390 | 245 | |
HG12 | 38339 | -10.1 | 5.56 | 1.263 | 0.447 | 303 | |
HG13 | 36849 | -10.1 | 9.71 | 1.196 | 0.479 | 276 | |
MD | 43692 | -4.15 | 13.891 | 0.674 | 0.325 | 699 | |
MG | 40616 | -3.919 | 6.23 | 0.770 | 0.302 | 645 | |
C | 45034 | 0 | 187.551 | 175.834 | 4.272 | 31 | |
CA | 62280 | 20.877 | 362.184 | 61.639 | 3.266 | 66 | |
CB | 57778 | -34.477 | 339.785 | 38.555 | 2.802 | 97 | |
CD1 | 39819 | 1.358 | 314.600 | 13.489 | 3.313 | 118 | |
CG1 | 34694 | 8.0 | 329.288 | 27.768 | 3.216 | 167 | |
CG2 | 36953 | 0.79 | 317.615 | 17.601 | 3.145 | 123 | |
N | 67996 | 0.0000 | 531 | 121.436 | 5.880 | 133 | |
LEU | H | 117474 | -0.3 | 119.596 | 8.217 | 0.725 | 398 | |
H1 | 1 | 7.340 | 7.340 | 7.340 | | | |
HA | 74639 | 0.000 | 119.411 | 4.301 | 0.628 | 81 | |
HB2 | 68320 | -1.825 | 8.02 | 1.607 | 0.359 | 885 | |
HB3 | 65469 | -1.825 | 1579.0 | 1.549 | 6.177 | 1 | |
HG | 59920 | -2.08 | 5.965 | 1.503 | 0.348 | 747 | |
HN | 2 | 7.62 | 7.76 | 7.690 | 0.099 | | |
MD1 | 70313 | -3.42 | 30.176 | 0.747 | 0.327 | 1118 | |
MD2 | 67733 | -3.42 | 24.59 | 0.729 | 0.383 | 658 | |
C | 74986 | 0.071 | 189.78 | 177.014 | 3.507 | 32 | |
CA | 103429 | 1.056 | 158.320 | 55.653 | 2.211 | 210 | |
CB | 96145 | 7.439 | 93.180 | 42.222 | 1.987 | 648 | |
CD1 | 61808 | 0.438 | 120.700 | 24.653 | 2.008 | 233 | |
CD2 | 59101 | 0.280 | 116.300 | 24.131 | 2.082 | 183 | |
CG | 53152 | 0.000 | 75.280 | 26.805 | 1.461 | 407 | |
N | 112765 | 0.044 | 627 | 121.942 | 7.372 | 113 | |
LYS | H | 99302 | 0.002 | 123.7085 | 8.190 | 1.527 | 34 | |
HA | 64657 | -0.118 | 32.650 | 4.256 | 0.451 | 729 | |
HB2 | 58019 | -1.416 | 10.94 | 1.775 | 0.263 | 952 | |
HB3 | 54586 | -3.038 | 9.43 | 1.748 | 0.279 | 894 | |
HD2 | 46340 | -1.6800 | 119.620 | 1.608 | 0.618 | 36 | |
HD3 | 41622 | -2.02 | 29.047 | 1.597 | 0.270 | 603 | |
HE2 | 45659 | -0.493 | 42.02 | 2.911 | 0.281 | 528 | |
HE3 | 40220 | -0.046 | 7.344 | 2.904 | 0.220 | 849 | |
HG2 | 52287 | -1.654 | 8.362 | 1.364 | 0.270 | 1051 | |
HG3 | 48259 | -1.83 | 5.575 | 1.349 | 0.279 | 1006 | |
HZ | 5 | 7.666 | 7.989 | 7.826 | 0.158 | | |
C | 60796 | 0.112 | 996.253 | 176.632 | 5.352 | 39 | |
CA | 84523 | 1.155 | 359.222 | 56.951 | 3.066 | 77 | |
CB | 78760 | -26.686 | 332.988 | 32.767 | 2.776 | 116 | |
CD | 42696 | 0.834 | 329.284 | 28.996 | 2.531 | 82 | |
CE | 41102 | -0.130 | 342.334 | 41.927 | 2.911 | 73 | |
CG | 45439 | 12.109 | 325.487 | 24.955 | 2.991 | 98 | |
N | 93457 | 0.041 | 427.245 | 121.053 | 4.758 | 146 | |
NZ | 348 | 1.950 | 177.2 | 50.983 | 33.193 | 3 | |
QZ | 1790 | -10.9 | 10.506 | 7.351 | 1.010 | 45 | |
MET | H | 27874 | -0.21 | 177 | 8.255 | 1.178 | 23 | |
HA | 18468 | -0.93 | 313.565 | 4.409 | 2.325 | 1 | |
HB2 | 16483 | -27.312 | 33.750 | 2.025 | 0.563 | 93 | |
HB3 | 15486 | -27.312 | 12.94 | 1.996 | 0.506 | 119 | |
HG2 | 15119 | -33.86 | 32.7 | 2.381 | 1.398 | 49 | |
HG3 | 14280 | -33.86 | 31.7 | 2.356 | 1.506 | 49 | |
ME | 11881 | -24.86 | 10.2000 | 1.785 | 1.479 | 89 | |
C | 18494 | 2.200 | 183.25 | 176.208 | 3.209 | 7 | |
CA | 26014 | 25.7283 | 85.327 | 56.130 | 2.269 | 63 | |
CB | 23966 | 0.2 | 332.173 | 32.951 | 3.066 | 57 | |
CE | 10858 | 0.000 | 317.645 | 17.239 | 4.016 | 56 | |
CG | 13154 | 2.30 | 332.686 | 32.068 | 3.101 | 33 | |
N | 27131 | 0.000 | 428.252 | 120.102 | 4.869 | 46 | |
PHE | H | 50048 | -0.5 | 12.357 | 8.333 | 0.729 | 320 | |
HA | 31929 | 1.33 | 59.70 | 4.614 | 0.712 | 29 | |
HB2 | 29679 | -0.463 | 7.979 | 2.994 | 0.379 | 404 | |
HB3 | 28915 | -0.212 | 12.72 | 2.936 | 0.397 | 426 | |
HD1 | 24665 | 0.603 | 12.154 | 7.039 | 0.393 | 245 | |
HD2 | 20940 | 0.603 | 12.154 | 7.041 | 0.405 | 206 | |
HE1 | 21470 | -2.838 | 14.080 | 7.065 | 0.443 | 181 | |
HE2 | 18439 | 0 | 12.9 | 7.064 | 0.438 | 168 | |
HZ | 14971 | -7.14 | 43.623 | 6.995 | 0.701 | 122 | |
C | 31538 | 0.088 | 184.929 | 175.449 | 2.920 | 12 | |
CA | 43741 | 4.917 | 363.618 | 58.108 | 3.660 | 40 | |
CB | 40950 | 2.161 | 341.700 | 39.915 | 3.422 | 53 | |
CD1 | 14970 | 7.160 | 148.7280 | 131.207 | 5.738 | 71 | |
CD2 | 10557 | 7.160 | 140.309 | 131.343 | 4.393 | 36 | |
CE1 | 13005 | 0.000 | 149.609 | 130.350 | 5.696 | 62 | |
CE2 | 9166 | 7.307 | 149.609 | 130.543 | 4.090 | 36 | |
CG | 511 | 7.229 | 156.3 | 137.458 | 10.616 | 4 | |
CZ | 9665 | 7.351 | 165.611 | 129.038 | 4.097 | 34 | |
N | 47729 | 0.067 | 422.843 | 120.400 | 5.414 | 70 | |
PRO | H | 8 | 7.808 | 8.995 | 8.389 | 0.408 | | |
H2 | 5 | 8.070 | 9.673 | 8.756 | 0.710 | | |
HA | 36568 | 0.636 | 135.80 | 4.386 | 0.771 | 49 | |
HB2 | 33741 | -1.501 | 5.63 | 2.069 | 0.369 | 591 | |
HB3 | 32723 | -3.48 | 6.10 | 1.998 | 0.381 | 609 | |
HD2 | 31077 | -6.56 | 7.67 | 3.637 | 0.440 | 461 | |
HD3 | 29973 | -6.56 | 8.353 | 3.603 | 0.461 | 551 | |
HG2 | 30216 | -2.35 | 7.395 | 1.919 | 0.340 | 722 | |
HG3 | 28061 | -1.520 | 4.92 | 1.895 | 0.350 | 677 | |
C | 34199 | 0 | 183.517 | 176.660 | 4.088 | 31 | |
CA | 48341 | 0 | 363.087 | 63.329 | 3.413 | 88 | |
CB | 44878 | 0 | 333.586 | 31.874 | 2.963 | 78 | |
CD | 27668 | 1.155 | 350.648 | 50.345 | 3.073 | 65 | |
CG | 27608 | 2.436 | 327.402 | 27.269 | 3.558 | 44 | |
N | 2867 | 0.140 | 430 | 134.843 | 21.458 | 39 | |
SER | H | 86298 | -15.3 | 116.95709 | 8.274 | 0.697 | 384 | |
HA | 55795 | 1.277 | 58.739 | 4.474 | 0.466 | 518 | |
HB2 | 50864 | 0.61 | 9.182 | 3.868 | 0.275 | 801 | |
HB3 | 47149 | 0.61 | 41.7 | 3.845 | 0.336 | 556 | |
HG | 1063 | 0.13 | 11.36 | 5.396 | 1.174 | 26 | |
HN | 1 | 7.91 | 7.91 | 7.910 | | | |
C | 55764 | 0.000 | 197.1 | 174.556 | 3.643 | 41 | |
CA | 78002 | 4.331 | 361.278 | 58.681 | 2.692 | 87 | |
CB | 72147 | -939.2800 | 365.087 | 63.724 | 4.619 | 180 | |
N | 82614 | 0.000 | 416.964 | 116.290 | 4.101 | 291 | |
THR | H | 76350 | 0.02 | 21.7 | 8.226 | 0.632 | 653 | |
HA | 48787 | 0.87 | 7.468 | 4.448 | 0.476 | 293 | |
HB | 44515 | 0.087 | 71.587 | 4.169 | 0.633 | 92 | |
HG1 | 1829 | -1.783 | 11.01 | 5.166 | 1.427 | 33 | |
MG | 44546 | -12.1 | 16.3 | 1.139 | 0.273 | 577 | |
C | 48119 | 4.780 | 185.918 | 174.461 | 3.918 | 38 | |
CA | 67080 | 0.971 | 92.659 | 62.203 | 2.725 | 127 | |
CB | 62010 | -939.2800 | 629.206 | 69.600 | 5.246 | 170 | |
CG2 | 38287 | 7.177 | 175.6 | 21.592 | 1.851 | 126 | |
N | 73168 | 0.0 | 402 | 115.367 | 6.104 | 80 | |
TRP | H | 16524 | 3.421 | 17.315 | 8.262 | 0.784 | 109 | |
HA | 10746 | 2.043 | 172.573 | 4.689 | 1.704 | 2 | |
HB2 | 10118 | 0.42 | 5.35 | 3.177 | 0.346 | 152 | |
HB3 | 9829 | -0.3776 | 7.972 | 3.117 | 0.371 | 153 | |
HD1 | 8954 | 1.880 | 10.75 | 7.129 | 0.360 | 141 | |
HE1 | 10148 | -1.279 | 131.711 | 10.099 | 1.385 | 49 | |
HE3 | 7755 | 1.85 | 12.233 | 7.302 | 0.514 | 138 | |
HH2 | 7704 | 2.84 | 10.900 | 6.957 | 0.447 | 125 | |
HZ2 | 8370 | 2.63 | 10.81 | 7.269 | 0.404 | 124 | |
HZ3 | 7473 | 0.76 | 8.898 | 6.854 | 0.464 | 97 | |
C | 9986 | 2.500 | 184.30 | 176.022 | 5.621 | 12 | |
CA | 13952 | 2.966 | 362.099 | 57.734 | 4.528 | 14 | |
CB | 12888 | 1.6 | 328.795 | 30.042 | 4.494 | 23 | |
CD1 | 5744 | 30.236 | 183.141 | 126.350 | 4.312 | 24 | |
CD2 | 199 | 1.578 | 155.174 | 126.678 | 14.721 | 3 | |
CE2 | 274 | 56.4176 | 177.710 | 137.337 | 9.350 | 6 | |
CE3 | 4799 | -10.872 | 174.807 | 120.213 | 5.336 | 29 | |
CG | 284 | 4.174 | 129.700 | 110.290 | 8.731 | 4 | |
CH2 | 5073 | -6.333 | 160.818 | 123.567 | 4.826 | 22 | |
CZ2 | 5471 | 7.107 | 159.041 | 114.074 | 4.435 | 32 | |
CZ3 | 4822 | -8.702 | 161.540 | 121.182 | 4.492 | 22 | |
N | 15224 | 6.712 | 423.160 | 121.612 | 5.762 | 15 | |
NE1 | 8343 | 0.53 | 435.960 | 129.277 | 6.011 | 36 | |
TYR | H | 43102 | 0.02 | 12.34 | 8.284 | 0.735 | 221 | |
HA | 27366 | 0.442 | 7.160 | 4.608 | 0.559 | 227 | |
HB2 | 25410 | -21.230 | 23.28 | 2.899 | 0.457 | 217 | |
HB3 | 24774 | -21.230 | 23.28 | 2.835 | 0.475 | 260 | |
HD1 | 21797 | 0.190 | 10.5 | 6.922 | 0.367 | 259 | |
HD2 | 18685 | 0.5522 | 10.499 | 6.918 | 0.370 | 220 | |
HE1 | 20648 | 0.08 | 11.8 | 6.691 | 0.303 | 185 | |
HE2 | 17809 | 0.43 | 11.7 | 6.691 | 0.313 | 156 | |
HH | 496 | -0.788 | 31 | 9.052 | 2.092 | 5 | |
C | 26457 | 2.200 | 184.78 | 175.406 | 4.379 | 22 | |
CA | 36668 | 2.200 | 357.681 | 58.140 | 3.006 | 28 | |
CB | 33986 | 18.38 | 338.686 | 39.275 | 2.996 | 55 | |
CD1 | 13460 | 19.40 | 141.572 | 132.392 | 5.200 | 69 | |
CD2 | 9236 | 3.492 | 139.644 | 132.400 | 5.164 | 52 | |
CE1 | 13212 | 40.435 | 182.764 | 117.748 | 3.932 | 112 | |
CE2 | 9121 | 34.1221 | 154.10 | 117.790 | 3.214 | 73 | |
CG | 474 | 7.113 | 175.115 | 128.260 | 12.473 | 7 | |
CZ | 345 | 6.839 | 165.718 | 155.857 | 12.555 | 3 | |
N | 40518 | 0.2 | 818 | 120.669 | 11.051 | 38 | |
VAL | H | 92760 | -0.41 | 15.050 | 8.266 | 0.674 | 439 | |
H1 | 1 | 8.025 | 8.025 | 8.025 | | | |
HA | 59288 | -2.83 | 54.971 | 4.165 | 0.622 | 133 | |
HB | 55092 | -27.480 | 31.75 | 1.981 | 0.438 | 435 | |
MG1 | 56168 | -27.2 | 24.20 | 0.819 | 0.328 | 649 | |
MG2 | 55277 | -27.2 | 56.56 | 0.802 | 0.418 | 312 | |
C | 59942 | 1 | 205.699 | 175.648 | 3.277 | 36 | |
CA | 82159 | -17.046 | 362.057 | 62.502 | 3.149 | 111 | |
CB | 76048 | 15.597025 | 331.747 | 32.697 | 2.216 | 160 | |
CG1 | 50163 | -7.4 | 321.185 | 21.532 | 2.339 | 94 | |
CG2 | 48513 | -5.648 | 320.420 | 21.346 | 2.436 | 96 | |
N | 89877 | 0.2 | 529 | 121.140 | 6.998 | 99 | |