NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641557 | 6pip | 30621 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HN LYS 1 -11.922 1.124 0.962 2 HA LYS 1 HA LYS 1 -11.624 -1.408 2.396 3 HB2 LYS 1 2HB LYS 1 -13.508 -2.370 1.132 4 HB3 LYS 1 1HB LYS 1 -14.020 -1.044 2.157 5 HG2 LYS 1 2HG LYS 1 -14.165 0.422 0.221 6 HG3 LYS 1 1HG LYS 1 -13.563 -0.870 -0.819 7 HD2 LYS 1 2HD LYS 1 -15.500 -2.212 -0.392 8 HD3 LYS 1 1HD LYS 1 -16.076 -1.097 0.841 9 HE2 LYS 1 2HE LYS 1 -17.345 -0.782 -1.189 10 HE3 LYS 1 1HE LYS 1 -16.341 0.632 -0.901 11 HZ1 LYS 1 1HZ LYS 1 -14.765 -0.235 -2.580 12 HZ2 LYS 1 2HZ LYS 1 -16.282 0.018 -3.209 13 HZ3 LYS 1 3HZ LYS 1 -15.794 -1.542 -2.862 14 H TRP 2 HN TRP 2 -10.214 0.426 0.275 15 HA TRP 2 HA TRP 2 -9.865 -1.598 -1.818 16 HB2 TRP 2 2HB TRP 2 -10.398 0.845 -2.368 17 HB3 TRP 2 1HB TRP 2 -8.813 1.217 -1.713 18 HD1 TRP 2 1HD TRP 2 -6.707 -0.246 -3.091 19 HE1 TRP 2 1HE TRP 2 -6.440 -0.513 -5.639 20 HE3 TRP 2 3HE TRP 2 -11.499 0.835 -4.514 21 HZ2 TRP 2 2HZ TRP 2 -8.052 -0.250 -7.951 22 HZ3 TRP 2 3HZ TRP 2 -12.048 0.816 -6.915 23 HH2 TRP 2 2HH TRP 2 -10.362 0.287 -8.590 24 H CYS 3 HN CYS 3 -8.077 -2.829 -1.672 25 HA CYS 3 HA CYS 3 -5.905 -1.844 0.012 26 HB2 CYS 3 2HB CYS 3 -6.628 -4.671 -0.777 27 HB3 CYS 3 1HB CYS 3 -5.222 -4.217 0.172 28 H PHE 4 HN PHE 4 -4.128 -1.278 -0.932 29 HA PHE 4 HA PHE 4 -3.551 -2.423 -3.510 30 HB2 PHE 4 2HB PHE 4 -2.772 -0.207 -4.352 31 HB3 PHE 4 1HB PHE 4 -4.493 -0.268 -4.048 32 HD1 PHE 4 1HD PHE 4 -5.403 0.909 -2.001 33 HD2 PHE 4 2HD PHE 4 -1.384 1.378 -3.321 34 HE1 PHE 4 1HE PHE 4 -5.233 2.995 -0.726 35 HE2 PHE 4 2HE PHE 4 -1.208 3.465 -2.029 36 HZ PHE 4 HZ PHE 4 -3.131 4.276 -0.731 37 H ARG 5 HN ARG 5 -1.393 -2.497 -4.048 38 HA ARG 5 HA ARG 5 0.270 -2.937 -1.743 39 HB2 ARG 5 2HB ARG 5 0.263 -4.583 -3.527 40 HB3 ARG 5 1HB ARG 5 0.770 -3.365 -4.687 41 HG2 ARG 5 2HG ARG 5 2.895 -3.130 -3.525 42 HG3 ARG 5 1HG ARG 5 2.380 -4.324 -2.335 43 HD2 ARG 5 2HD ARG 5 2.216 -6.009 -4.061 44 HD3 ARG 5 1HD ARG 5 2.646 -4.813 -5.284 45 HE ARG 5 HE ARG 5 4.752 -4.580 -3.913 46 HH11 ARG 5 1HH1 ARG 5 3.059 -7.642 -4.458 47 HH12 ARG 5 2HH1 ARG 5 4.412 -8.624 -4.217 48 HH21 ARG 5 1HH2 ARG 5 6.653 -5.935 -3.590 49 HH22 ARG 5 2HH2 ARG 5 6.524 -7.619 -3.694 50 H VAL 6 HN VAL 6 1.603 -1.530 -0.974 51 HA VAL 6 HA VAL 6 2.423 0.735 -2.644 52 HB VAL 6 HB VAL 6 2.399 0.539 0.378 53 HG11 VAL 6 1HG1 VAL 6 2.808 2.913 -1.433 54 HG12 VAL 6 2HG1 VAL 6 4.043 2.108 -0.466 55 HG13 VAL 6 3HG1 VAL 6 2.717 2.958 0.329 56 HG21 VAL 6 1HG2 VAL 6 0.451 2.058 0.305 57 HG22 VAL 6 2HG2 VAL 6 0.116 0.490 -0.411 58 HG23 VAL 6 3HG2 VAL 6 0.412 1.886 -1.450 59 H CYS 7 HN CYS 7 4.450 0.445 -3.350 60 HA CYS 7 HA CYS 7 6.327 -0.840 -1.522 61 HB2 CYS 7 2HB CYS 7 6.429 -0.563 -4.536 62 HB3 CYS 7 1HB CYS 7 7.764 -1.167 -3.562 63 H TYR 8 HN TYR 8 7.602 0.393 -0.533 64 HA TYR 8 HA TYR 8 8.455 2.939 -1.716 65 HB2 TYR 8 2HB TYR 8 6.730 3.437 -0.078 66 HB3 TYR 8 1HB TYR 8 7.525 2.419 1.113 67 HD1 TYR 8 1HD TYR 8 9.088 3.349 2.588 68 HD2 TYR 8 2HD TYR 8 8.014 5.514 -0.910 69 HE1 TYR 8 1HE TYR 8 10.339 5.279 3.412 70 HE2 TYR 8 2HE TYR 8 9.251 7.453 -0.100 71 HH TYR 8 HH TYR 8 10.117 8.377 1.927 72 H ARG 9 HN ARG 9 10.492 2.629 -2.135 73 HA ARG 9 HA ARG 9 12.711 2.281 -1.895 74 HB2 ARG 9 2HB ARG 9 12.120 2.225 1.072 75 HB3 ARG 9 1HB ARG 9 13.721 2.317 0.365 76 HG2 ARG 9 2HG ARG 9 13.018 4.514 -0.670 77 HG3 ARG 9 1HG ARG 9 11.547 4.383 0.282 78 HD2 ARG 9 2HD ARG 9 12.799 4.300 2.339 79 HD3 ARG 9 1HD ARG 9 14.317 4.310 1.448 80 HE ARG 9 HE ARG 9 12.546 6.579 1.053 81 HH11 ARG 9 1HH1 ARG 9 15.363 5.254 2.710 82 HH12 ARG 9 2HH1 ARG 9 15.985 6.778 3.162 83 HH21 ARG 9 1HH2 ARG 9 13.439 8.703 1.696 84 HH22 ARG 9 2HH2 ARG 9 14.917 8.734 2.552 85 H GLY 10 HN GLY 10 10.799 0.016 -2.050 86 HA2 GLY 10 2HA GLY 10 11.424 -2.250 -2.450 87 HA3 GLY 10 1HA GLY 10 12.682 -2.079 -1.230 88 H ILE 11 HN ILE 11 10.432 -0.636 0.334 89 HA ILE 11 HA ILE 11 9.590 -2.993 1.789 90 HB ILE 11 HB ILE 11 8.954 -0.064 2.292 91 HG12 ILE 11 2HG1 ILE 11 11.133 -1.697 3.597 92 HG13 ILE 11 1HG1 ILE 11 11.413 -0.630 2.225 93 HG21 ILE 11 1HG2 ILE 11 8.887 -2.449 4.151 94 HG22 ILE 11 2HG2 ILE 11 7.480 -1.672 3.438 95 HG23 ILE 11 3HG2 ILE 11 8.488 -0.784 4.585 96 HD11 ILE 11 1HD1 ILE 11 10.370 0.195 4.929 97 HD12 ILE 11 2HD1 ILE 11 10.646 1.264 3.552 98 HD13 ILE 11 3HD1 ILE 11 12.011 0.451 4.322 99 H CYS 12 HN CYS 12 7.898 -3.993 0.879 100 HA CYS 12 HA CYS 12 5.779 -2.361 -0.328 101 HB2 CYS 12 2HB CYS 12 6.417 -5.286 -0.738 102 HB3 CYS 12 1HB CYS 12 5.095 -4.400 -1.491 103 H TYR 13 HN TYR 13 3.860 -2.254 0.629 104 HA TYR 13 HA TYR 13 3.075 -4.418 2.350 105 HB2 TYR 13 2HB TYR 13 2.212 -2.699 4.028 106 HB3 TYR 13 1HB TYR 13 3.930 -3.044 4.035 107 HD1 TYR 13 1HD TYR 13 1.347 -0.415 3.561 108 HD2 TYR 13 2HD TYR 13 5.506 -1.357 3.166 109 HE1 TYR 13 1HE TYR 13 1.892 1.935 3.519 110 HE2 TYR 13 2HE TYR 13 6.031 1.023 3.102 111 HH TYR 13 HH TYR 13 4.875 3.179 2.571 112 H ARG 14 HN ARG 14 0.938 -4.693 2.614 113 HA ARG 14 HA ARG 14 -0.696 -3.640 0.489 114 HB2 ARG 14 2HB ARG 14 -0.878 -6.004 1.025 115 HB3 ARG 14 1HB ARG 14 -1.254 -5.630 2.696 116 HG2 ARG 14 2HG ARG 14 -3.385 -4.646 2.001 117 HG3 ARG 14 1HG ARG 14 -2.997 -5.001 0.315 118 HD2 ARG 14 2HD ARG 14 -2.931 -7.359 0.785 119 HD3 ARG 14 1HD ARG 14 -3.188 -7.059 2.501 120 HE ARG 14 HE ARG 14 -5.392 -6.028 1.639 121 HH11 ARG 14 1HH1 ARG 14 -3.840 -8.916 0.241 122 HH12 ARG 14 2HH1 ARG 14 -5.297 -9.671 -0.176 123 HH21 ARG 14 1HH2 ARG 14 -7.438 -7.116 1.028 124 HH22 ARG 14 2HH2 ARG 14 -7.364 -8.626 0.269 125 H LYS 15 HN LYS 15 -1.160 -1.607 0.878 126 HA LYS 15 HA LYS 15 -2.151 -0.832 3.503 127 HB2 LYS 15 2HB LYS 15 -0.527 0.636 2.380 128 HB3 LYS 15 1HB LYS 15 -1.657 0.852 1.047 129 HG2 LYS 15 2HG LYS 15 -3.258 1.892 2.589 130 HG3 LYS 15 1HG LYS 15 -2.096 1.711 3.900 131 HD2 LYS 15 2HD LYS 15 -1.659 3.330 1.383 132 HD3 LYS 15 1HD LYS 15 -2.117 3.962 2.972 133 HE2 LYS 15 2HE LYS 15 -0.023 3.156 3.909 134 HE3 LYS 15 1HE LYS 15 0.424 2.499 2.331 135 HZ1 LYS 15 1HZ LYS 15 1.448 4.684 2.796 136 HZ2 LYS 15 2HZ LYS 15 -0.078 5.380 2.842 137 HZ3 LYS 15 3HZ LYS 15 0.495 4.690 1.428 138 H CYS 16 HN CYS 16 -4.181 -0.667 3.904 139 HA CYS 16 HA CYS 16 -6.050 -0.834 1.658 140 HB2 CYS 16 2HB CYS 16 -6.406 -1.764 4.507 141 HB3 CYS 16 1HB CYS 16 -7.654 -1.846 3.263 142 H ARG 17 HN ARG 17 -6.953 0.949 1.175 143 HA ARG 17 HA ARG 17 -7.378 2.993 3.233 144 HB2 ARG 17 2HB ARG 17 -5.833 3.559 1.348 145 HB3 ARG 17 1HB ARG 17 -7.154 3.281 0.230 146 HG2 ARG 17 2HG ARG 17 -8.392 5.148 1.186 147 HG3 ARG 17 1HG ARG 17 -7.104 5.410 2.360 148 HD2 ARG 17 2HD ARG 17 -6.924 6.982 0.489 149 HD3 ARG 17 1HD ARG 17 -5.529 5.906 0.556 150 HE ARG 17 HE ARG 17 -7.471 4.813 -1.136 151 HH11 ARG 17 1HH1 ARG 17 -5.203 7.517 -1.118 152 HH12 ARG 17 2HH1 ARG 17 -5.030 7.590 -2.810 153 HH21 ARG 17 1HH2 ARG 17 -7.237 4.871 -3.430 154 HH22 ARG 17 2HH2 ARG 17 -6.227 6.017 -4.189 155 H GLY 18 HN GLY 18 -9.402 2.852 3.903 156 HA2 GLY 18 2HA GLY 18 -11.714 2.916 3.807 157 HA3 GLY 18 1HA GLY 18 -11.610 2.938 2.044 Start of MODEL 2 1 H1 LYS 1 HN LYS 1 -11.875 1.336 0.953 2 HA LYS 1 HA LYS 1 -11.523 -1.128 2.498 3 HB2 LYS 1 2HB LYS 1 -13.802 -0.557 0.598 4 HB3 LYS 1 1HB LYS 1 -13.532 -2.057 1.472 5 HG2 LYS 1 2HG LYS 1 -13.744 -0.718 3.596 6 HG3 LYS 1 1HG LYS 1 -14.285 0.626 2.598 7 HD2 LYS 1 2HD LYS 1 -16.246 -0.474 3.406 8 HD3 LYS 1 1HD LYS 1 -16.083 -0.866 1.699 9 HE2 LYS 1 2HE LYS 1 -16.704 -2.836 3.003 10 HE3 LYS 1 1HE LYS 1 -15.124 -3.049 2.263 11 HZ1 LYS 1 1HZ LYS 1 -15.187 -3.813 4.562 12 HZ2 LYS 1 2HZ LYS 1 -15.607 -2.291 5.109 13 HZ3 LYS 1 3HZ LYS 1 -14.093 -2.549 4.416 14 H TRP 2 HN TRP 2 -10.058 0.433 0.322 15 HA TRP 2 HA TRP 2 -9.890 -1.723 -1.666 16 HB2 TRP 2 2HB TRP 2 -10.333 0.674 -2.412 17 HB3 TRP 2 1HB TRP 2 -8.741 1.070 -1.799 18 HD1 TRP 2 1HD TRP 2 -6.685 -0.584 -3.052 19 HE1 TRP 2 1HE TRP 2 -6.434 -1.010 -5.598 20 HE3 TRP 2 3HE TRP 2 -11.435 0.525 -4.536 21 HZ2 TRP 2 2HZ TRP 2 -8.041 -0.876 -7.900 22 HZ3 TRP 2 3HZ TRP 2 -11.995 0.360 -6.925 23 HH2 TRP 2 2HH TRP 2 -10.331 -0.326 -8.562 24 H CYS 3 HN CYS 3 -8.192 -3.042 -1.385 25 HA CYS 3 HA CYS 3 -5.898 -2.019 0.119 26 HB2 CYS 3 2HB CYS 3 -6.837 -4.842 -0.362 27 HB3 CYS 3 1HB CYS 3 -5.354 -4.424 0.492 28 H PHE 4 HN PHE 4 -4.063 -1.727 -0.900 29 HA PHE 4 HA PHE 4 -3.644 -3.095 -3.401 30 HB2 PHE 4 2HB PHE 4 -2.973 -0.987 -4.540 31 HB3 PHE 4 1HB PHE 4 -4.677 -1.048 -4.139 32 HD1 PHE 4 1HD PHE 4 -5.340 0.178 -1.892 33 HD2 PHE 4 2HD PHE 4 -1.749 0.893 -4.063 34 HE1 PHE 4 1HE PHE 4 -5.176 2.377 -0.874 35 HE2 PHE 4 2HE PHE 4 -1.577 3.108 -3.019 36 HZ PHE 4 HZ PHE 4 -3.297 3.853 -1.423 37 H ARG 5 HN ARG 5 -1.418 -2.496 -4.257 38 HA ARG 5 HA ARG 5 0.380 -3.075 -2.063 39 HB2 ARG 5 2HB ARG 5 0.433 -4.585 -3.933 40 HB3 ARG 5 1HB ARG 5 0.686 -3.256 -5.051 41 HG2 ARG 5 2HG ARG 5 2.888 -2.844 -4.045 42 HG3 ARG 5 1HG ARG 5 2.625 -4.205 -2.950 43 HD2 ARG 5 2HD ARG 5 2.494 -5.731 -4.762 44 HD3 ARG 5 1HD ARG 5 2.526 -4.410 -5.936 45 HE ARG 5 HE ARG 5 4.835 -4.042 -4.731 46 HH11 ARG 5 1HH1 ARG 5 3.356 -7.077 -5.815 47 HH12 ARG 5 2HH1 ARG 5 4.829 -7.834 -6.204 48 HH21 ARG 5 1HH2 ARG 5 6.902 -5.088 -5.314 49 HH22 ARG 5 2HH2 ARG 5 6.868 -6.700 -5.861 50 H VAL 6 HN VAL 6 1.628 -1.628 -1.244 51 HA VAL 6 HA VAL 6 2.380 0.742 -2.803 52 HB VAL 6 HB VAL 6 1.952 0.500 0.198 53 HG11 VAL 6 1HG1 VAL 6 2.715 2.928 -1.426 54 HG12 VAL 6 2HG1 VAL 6 3.789 2.029 -0.359 55 HG13 VAL 6 3HG1 VAL 6 2.403 2.889 0.308 56 HG21 VAL 6 1HG2 VAL 6 0.389 2.027 -1.876 57 HG22 VAL 6 2HG2 VAL 6 0.123 2.070 -0.130 58 HG23 VAL 6 3HG2 VAL 6 -0.143 0.578 -1.020 59 H CYS 7 HN CYS 7 4.514 0.748 -3.193 60 HA CYS 7 HA CYS 7 6.208 -0.763 -1.356 61 HB2 CYS 7 2HB CYS 7 6.677 -0.077 -4.266 62 HB3 CYS 7 1HB CYS 7 7.798 -0.953 -3.232 63 H TYR 8 HN TYR 8 7.347 0.371 -0.085 64 HA TYR 8 HA TYR 8 8.154 3.078 -0.895 65 HB2 TYR 8 2HB TYR 8 6.523 3.165 0.921 66 HB3 TYR 8 1HB TYR 8 7.478 2.020 1.855 67 HD1 TYR 8 1HD TYR 8 8.971 2.855 3.449 68 HD2 TYR 8 2HD TYR 8 7.745 5.402 0.264 69 HE1 TYR 8 1HE TYR 8 10.187 4.711 4.477 70 HE2 TYR 8 2HE TYR 8 8.955 7.272 1.281 71 HH TYR 8 HH TYR 8 9.831 7.966 3.415 72 H ARG 9 HN ARG 9 10.152 2.931 -1.523 73 HA ARG 9 HA ARG 9 12.393 2.631 -1.551 74 HB2 ARG 9 2HB ARG 9 12.146 2.030 1.414 75 HB3 ARG 9 1HB ARG 9 13.627 2.443 0.567 76 HG2 ARG 9 2HG ARG 9 12.649 4.664 0.050 77 HG3 ARG 9 1HG ARG 9 11.251 4.231 1.032 78 HD2 ARG 9 2HD ARG 9 12.709 5.526 2.403 79 HD3 ARG 9 1HD ARG 9 12.821 3.855 2.947 80 HE ARG 9 HE ARG 9 14.793 4.604 0.999 81 HH11 ARG 9 1HH1 ARG 9 14.136 4.245 4.474 82 HH12 ARG 9 2HH1 ARG 9 15.758 4.468 4.922 83 HH21 ARG 9 1HH2 ARG 9 17.014 4.906 1.660 84 HH22 ARG 9 2HH2 ARG 9 17.421 4.832 3.308 85 H GLY 10 HN GLY 10 10.554 0.396 -1.960 86 HA2 GLY 10 2HA GLY 10 11.180 -1.730 -2.811 87 HA3 GLY 10 1HA GLY 10 12.512 -1.761 -1.657 88 H ILE 11 HN ILE 11 10.264 -0.672 0.233 89 HA ILE 11 HA ILE 11 9.601 -3.289 1.279 90 HB ILE 11 HB ILE 11 8.982 -0.525 2.360 91 HG12 ILE 11 2HG1 ILE 11 11.197 -2.391 3.216 92 HG13 ILE 11 1HG1 ILE 11 11.429 -1.062 2.084 93 HG21 ILE 11 1HG2 ILE 11 8.937 -3.232 3.695 94 HG22 ILE 11 2HG2 ILE 11 7.526 -2.277 3.248 95 HG23 ILE 11 3HG2 ILE 11 8.632 -1.688 4.490 96 HD11 ILE 11 1HD1 ILE 11 10.503 -0.811 4.936 97 HD12 ILE 11 2HD1 ILE 11 10.747 0.518 3.799 98 HD13 ILE 11 3HD1 ILE 11 12.124 -0.453 4.330 99 H CYS 12 HN CYS 12 7.903 -4.127 0.206 100 HA CYS 12 HA CYS 12 5.686 -2.374 -0.514 101 HB2 CYS 12 2HB CYS 12 6.137 -5.277 -1.248 102 HB3 CYS 12 1HB CYS 12 4.886 -4.204 -1.873 103 H TYR 13 HN TYR 13 3.827 -2.378 0.539 104 HA TYR 13 HA TYR 13 3.248 -4.603 2.303 105 HB2 TYR 13 2HB TYR 13 2.513 -2.976 4.074 106 HB3 TYR 13 1HB TYR 13 4.247 -3.037 3.812 107 HD1 TYR 13 1HD TYR 13 1.216 -0.953 3.512 108 HD2 TYR 13 2HD TYR 13 5.421 -1.124 2.857 109 HE1 TYR 13 1HE TYR 13 1.276 1.483 3.268 110 HE2 TYR 13 2HE TYR 13 5.484 1.302 2.603 111 HH TYR 13 HH TYR 13 2.805 3.331 3.393 112 H ARG 14 HN ARG 14 1.041 -4.666 2.959 113 HA ARG 14 HA ARG 14 -0.717 -3.870 0.833 114 HB2 ARG 14 2HB ARG 14 -1.012 -6.114 1.688 115 HB3 ARG 14 1HB ARG 14 -1.144 -5.516 3.334 116 HG2 ARG 14 2HG ARG 14 -3.265 -4.450 2.804 117 HG3 ARG 14 1HG ARG 14 -3.128 -4.977 1.130 118 HD2 ARG 14 2HD ARG 14 -3.328 -7.257 1.745 119 HD3 ARG 14 1HD ARG 14 -3.158 -6.888 3.457 120 HE ARG 14 HE ARG 14 -5.343 -5.479 2.764 121 HH11 ARG 14 1HH1 ARG 14 -4.499 -8.882 2.304 122 HH12 ARG 14 2HH1 ARG 14 -6.104 -9.430 2.382 123 HH21 ARG 14 1HH2 ARG 14 -7.565 -6.270 2.874 124 HH22 ARG 14 2HH2 ARG 14 -7.848 -7.929 2.716 125 H LYS 15 HN LYS 15 -1.173 -1.808 0.889 126 HA LYS 15 HA LYS 15 -2.018 -0.632 3.421 127 HB2 LYS 15 2HB LYS 15 -0.390 0.614 2.041 128 HB3 LYS 15 1HB LYS 15 -1.570 0.657 0.737 129 HG2 LYS 15 2HG LYS 15 -3.055 2.024 2.103 130 HG3 LYS 15 1HG LYS 15 -1.899 1.961 3.436 131 HD2 LYS 15 2HD LYS 15 -0.225 3.082 2.032 132 HD3 LYS 15 1HD LYS 15 -1.387 3.135 0.707 133 HE2 LYS 15 2HE LYS 15 -2.856 4.554 2.033 134 HE3 LYS 15 1HE LYS 15 -1.734 4.459 3.390 135 HZ1 LYS 15 1HZ LYS 15 -0.071 5.586 2.045 136 HZ2 LYS 15 2HZ LYS 15 -1.476 6.517 2.135 137 HZ3 LYS 15 3HZ LYS 15 -1.137 5.667 0.742 138 H CYS 16 HN CYS 16 -4.040 -0.437 3.835 139 HA CYS 16 HA CYS 16 -5.959 -0.780 1.660 140 HB2 CYS 16 2HB CYS 16 -6.279 -1.409 4.595 141 HB3 CYS 16 1HB CYS 16 -7.557 -1.562 3.391 142 H ARG 17 HN ARG 17 -6.806 0.954 1.036 143 HA ARG 17 HA ARG 17 -7.078 3.249 2.850 144 HB2 ARG 17 2HB ARG 17 -5.670 3.482 0.800 145 HB3 ARG 17 1HB ARG 17 -7.082 3.092 -0.170 146 HG2 ARG 17 2HG ARG 17 -8.173 5.130 0.664 147 HG3 ARG 17 1HG ARG 17 -6.705 5.517 1.574 148 HD2 ARG 17 2HD ARG 17 -5.441 5.395 -0.574 149 HD3 ARG 17 1HD ARG 17 -6.984 5.233 -1.403 150 HE ARG 17 HE ARG 17 -7.059 7.509 0.210 151 HH11 ARG 17 1HH1 ARG 17 -5.618 6.337 -2.825 152 HH12 ARG 17 2HH1 ARG 17 -5.212 7.882 -3.382 153 HH21 ARG 17 1HH2 ARG 17 -6.545 9.654 -0.624 154 HH22 ARG 17 2HH2 ARG 17 -5.771 9.788 -2.135 155 H GLY 18 HN GLY 18 -9.115 3.334 3.612 156 HA2 GLY 18 2HA GLY 18 -11.395 3.225 3.664 157 HA3 GLY 18 1HA GLY 18 -11.369 3.170 1.894 Start of MODEL 3 1 H1 LYS 1 HN LYS 1 -12.105 1.190 1.124 2 HA LYS 1 HA LYS 1 -12.033 -1.351 2.624 3 HB2 LYS 1 2HB LYS 1 -13.891 -2.114 1.205 4 HB3 LYS 1 1HB LYS 1 -14.322 -0.682 2.131 5 HG2 LYS 1 2HG LYS 1 -14.002 0.714 0.176 6 HG3 LYS 1 1HG LYS 1 -13.483 -0.685 -0.762 7 HD2 LYS 1 2HD LYS 1 -15.688 -1.702 -0.435 8 HD3 LYS 1 1HD LYS 1 -16.203 -0.282 0.479 9 HE2 LYS 1 2HE LYS 1 -16.984 -0.170 -1.828 10 HE3 LYS 1 1HE LYS 1 -15.839 1.122 -1.483 11 HZ1 LYS 1 1HZ LYS 1 -15.180 -1.416 -2.890 12 HZ2 LYS 1 2HZ LYS 1 -14.112 -0.134 -2.630 13 HZ3 LYS 1 3HZ LYS 1 -15.448 0.062 -3.631 14 H TRP 2 HN TRP 2 -10.400 0.298 0.352 15 HA TRP 2 HA TRP 2 -10.022 -1.995 -1.450 16 HB2 TRP 2 2HB TRP 2 -10.696 0.273 -2.360 17 HB3 TRP 2 1HB TRP 2 -9.127 0.861 -1.832 18 HD1 TRP 2 1HD TRP 2 -6.953 -0.456 -3.062 19 HE1 TRP 2 1HE TRP 2 -6.764 -1.217 -5.526 20 HE3 TRP 2 3HE TRP 2 -11.910 -0.524 -4.290 21 HZ2 TRP 2 2HZ TRP 2 -8.482 -1.764 -7.683 22 HZ3 TRP 2 3HZ TRP 2 -12.555 -1.178 -6.574 23 HH2 TRP 2 2HH TRP 2 -10.872 -1.782 -8.230 24 H CYS 3 HN CYS 3 -7.983 -2.922 -1.576 25 HA CYS 3 HA CYS 3 -5.861 -1.672 0.004 26 HB2 CYS 3 2HB CYS 3 -6.568 -4.589 -0.180 27 HB3 CYS 3 1HB CYS 3 -5.189 -3.938 0.699 28 H PHE 4 HN PHE 4 -3.876 -1.636 -1.006 29 HA PHE 4 HA PHE 4 -3.457 -3.343 -3.291 30 HB2 PHE 4 2HB PHE 4 -2.880 -1.542 -4.833 31 HB3 PHE 4 1HB PHE 4 -4.523 -1.325 -4.263 32 HD1 PHE 4 1HD PHE 4 -4.924 0.418 -2.440 33 HD2 PHE 4 2HD PHE 4 -1.298 0.141 -4.647 34 HE1 PHE 4 1HE PHE 4 -4.379 2.743 -1.841 35 HE2 PHE 4 2HE PHE 4 -0.750 2.454 -4.048 36 HZ PHE 4 HZ PHE 4 -2.290 3.756 -2.645 37 H ARG 5 HN ARG 5 -1.159 -2.950 -4.155 38 HA ARG 5 HA ARG 5 0.523 -3.135 -1.832 39 HB2 ARG 5 2HB ARG 5 0.758 -4.832 -3.578 40 HB3 ARG 5 1HB ARG 5 1.152 -3.584 -4.750 41 HG2 ARG 5 2HG ARG 5 3.208 -3.092 -3.680 42 HG3 ARG 5 1HG ARG 5 2.799 -4.091 -2.291 43 HD2 ARG 5 2HD ARG 5 4.372 -5.295 -3.638 44 HD3 ARG 5 1HD ARG 5 2.803 -6.068 -3.796 45 HE ARG 5 HE ARG 5 3.012 -4.320 -5.914 46 HH11 ARG 5 1HH1 ARG 5 4.812 -7.107 -4.697 47 HH12 ARG 5 2HH1 ARG 5 5.337 -7.630 -6.231 48 HH21 ARG 5 1HH2 ARG 5 3.767 -5.034 -8.046 49 HH22 ARG 5 2HH2 ARG 5 4.750 -6.427 -8.152 50 H VAL 6 HN VAL 6 1.545 -1.521 -1.026 51 HA VAL 6 HA VAL 6 2.304 0.726 -2.747 52 HB VAL 6 HB VAL 6 1.943 0.629 0.268 53 HG11 VAL 6 1HG1 VAL 6 2.563 2.971 -1.532 54 HG12 VAL 6 2HG1 VAL 6 3.683 2.210 -0.404 55 HG13 VAL 6 3HG1 VAL 6 2.257 3.051 0.203 56 HG21 VAL 6 1HG2 VAL 6 -0.178 0.529 -0.905 57 HG22 VAL 6 2HG2 VAL 6 0.268 1.944 -1.859 58 HG23 VAL 6 3HG2 VAL 6 0.025 2.095 -0.119 59 H CYS 7 HN CYS 7 4.405 0.913 -3.119 60 HA CYS 7 HA CYS 7 6.216 -0.607 -1.398 61 HB2 CYS 7 2HB CYS 7 6.475 0.101 -4.315 62 HB3 CYS 7 1HB CYS 7 7.742 -0.678 -3.363 63 H TYR 8 HN TYR 8 7.557 0.442 -0.225 64 HA TYR 8 HA TYR 8 8.475 3.100 -1.046 65 HB2 TYR 8 2HB TYR 8 6.829 3.408 0.734 66 HB3 TYR 8 1HB TYR 8 7.633 2.183 1.712 67 HD1 TYR 8 1HD TYR 8 9.079 2.927 3.385 68 HD2 TYR 8 2HD TYR 8 8.421 5.408 -0.007 69 HE1 TYR 8 1HE TYR 8 10.523 4.646 4.362 70 HE2 TYR 8 2HE TYR 8 9.852 7.119 0.959 71 HH TYR 8 HH TYR 8 10.679 7.819 3.152 72 H ARG 9 HN ARG 9 10.570 2.851 -1.505 73 HA ARG 9 HA ARG 9 12.765 2.351 -1.373 74 HB2 ARG 9 2HB ARG 9 12.186 1.631 1.509 75 HB3 ARG 9 1HB ARG 9 13.784 1.811 0.812 76 HG2 ARG 9 2HG ARG 9 13.237 4.194 0.350 77 HG3 ARG 9 1HG ARG 9 11.720 3.952 1.213 78 HD2 ARG 9 2HD ARG 9 12.936 3.278 3.213 79 HD3 ARG 9 1HD ARG 9 14.464 3.494 2.364 80 HE ARG 9 HE ARG 9 12.616 5.746 2.723 81 HH11 ARG 9 1HH1 ARG 9 15.786 4.282 3.306 82 HH12 ARG 9 2HH1 ARG 9 16.482 5.707 3.921 83 HH21 ARG 9 1HH2 ARG 9 13.583 7.693 3.586 84 HH22 ARG 9 2HH2 ARG 9 15.201 7.654 4.114 85 H GLY 10 HN GLY 10 10.692 0.264 -1.918 86 HA2 GLY 10 2HA GLY 10 11.170 -1.911 -2.815 87 HA3 GLY 10 1HA GLY 10 12.483 -2.041 -1.638 88 H ILE 11 HN ILE 11 10.496 -0.826 0.316 89 HA ILE 11 HA ILE 11 9.583 -3.322 1.421 90 HB ILE 11 HB ILE 11 9.097 -0.469 2.344 91 HG12 ILE 11 2HG1 ILE 11 11.220 -2.374 3.330 92 HG13 ILE 11 1HG1 ILE 11 11.521 -1.135 2.119 93 HG21 ILE 11 1HG2 ILE 11 8.701 -1.497 4.552 94 HG22 ILE 11 2HG2 ILE 11 8.883 -3.094 3.827 95 HG23 ILE 11 3HG2 ILE 11 7.548 -2.053 3.341 96 HD11 ILE 11 1HD1 ILE 11 12.231 -0.400 4.335 97 HD12 ILE 11 2HD1 ILE 11 10.598 -0.665 4.953 98 HD13 ILE 11 3HD1 ILE 11 10.890 0.582 3.740 99 H CYS 12 HN CYS 12 7.860 -4.129 0.375 100 HA CYS 12 HA CYS 12 5.752 -2.294 -0.427 101 HB2 CYS 12 2HB CYS 12 6.281 -5.133 -1.305 102 HB3 CYS 12 1HB CYS 12 4.991 -4.093 -1.896 103 H TYR 13 HN TYR 13 3.940 -2.251 0.623 104 HA TYR 13 HA TYR 13 3.154 -4.561 2.194 105 HB2 TYR 13 2HB TYR 13 2.393 -2.992 4.001 106 HB3 TYR 13 1HB TYR 13 4.134 -3.079 3.831 107 HD1 TYR 13 1HD TYR 13 1.183 -0.950 3.546 108 HD2 TYR 13 2HD TYR 13 5.389 -1.141 2.926 109 HE1 TYR 13 1HE TYR 13 1.271 1.486 3.402 110 HE2 TYR 13 2HE TYR 13 5.492 1.296 2.780 111 HH TYR 13 HH TYR 13 3.937 3.212 2.243 112 H ARG 14 HN ARG 14 0.886 -4.699 2.489 113 HA ARG 14 HA ARG 14 -0.545 -3.484 0.294 114 HB2 ARG 14 2HB ARG 14 -0.819 -5.913 0.990 115 HB3 ARG 14 1HB ARG 14 -1.632 -5.317 2.431 116 HG2 ARG 14 2HG ARG 14 -3.204 -4.112 0.901 117 HG3 ARG 14 1HG ARG 14 -2.506 -5.041 -0.424 118 HD2 ARG 14 2HD ARG 14 -4.439 -6.224 0.267 119 HD3 ARG 14 1HD ARG 14 -3.055 -7.113 0.907 120 HE ARG 14 HE ARG 14 -3.969 -5.254 2.817 121 HH11 ARG 14 1HH1 ARG 14 -4.760 -8.395 1.468 122 HH12 ARG 14 2HH1 ARG 14 -5.804 -8.853 2.731 123 HH21 ARG 14 1HH2 ARG 14 -5.357 -5.830 4.553 124 HH22 ARG 14 2HH2 ARG 14 -6.167 -7.328 4.570 125 H LYS 15 HN LYS 15 -1.027 -1.432 0.729 126 HA LYS 15 HA LYS 15 -1.907 -0.690 3.413 127 HB2 LYS 15 2HB LYS 15 -0.251 0.686 2.049 128 HB3 LYS 15 1HB LYS 15 -1.598 1.092 1.005 129 HG2 LYS 15 2HG LYS 15 -2.754 2.129 2.901 130 HG3 LYS 15 1HG LYS 15 -1.378 1.738 3.936 131 HD2 LYS 15 2HD LYS 15 0.061 3.060 2.367 132 HD3 LYS 15 1HD LYS 15 -1.411 3.568 1.541 133 HE2 LYS 15 2HE LYS 15 -0.741 4.073 4.441 134 HE3 LYS 15 1HE LYS 15 -0.654 5.257 3.139 135 HZ1 LYS 15 1HZ LYS 15 -3.111 3.909 4.109 136 HZ2 LYS 15 2HZ LYS 15 -3.060 5.079 2.897 137 HZ3 LYS 15 3HZ LYS 15 -2.641 5.467 4.461 138 H CYS 16 HN CYS 16 -3.991 -0.105 3.835 139 HA CYS 16 HA CYS 16 -5.851 -0.525 1.634 140 HB2 CYS 16 2HB CYS 16 -6.243 -0.937 4.600 141 HB3 CYS 16 1HB CYS 16 -7.503 -1.114 3.382 142 H ARG 17 HN ARG 17 -7.282 0.960 1.123 143 HA ARG 17 HA ARG 17 -7.453 3.398 2.753 144 HB2 ARG 17 2HB ARG 17 -7.704 3.202 -0.264 145 HB3 ARG 17 1HB ARG 17 -7.807 4.663 0.700 146 HG2 ARG 17 2HG ARG 17 -5.415 4.288 1.350 147 HG3 ARG 17 1HG ARG 17 -5.378 2.977 0.173 148 HD2 ARG 17 2HD ARG 17 -5.970 5.880 -0.394 149 HD3 ARG 17 1HD ARG 17 -4.486 5.024 -0.776 150 HE ARG 17 HE ARG 17 -6.805 3.837 -1.986 151 HH11 ARG 17 1HH1 ARG 17 -4.351 6.366 -2.356 152 HH12 ARG 17 2HH1 ARG 17 -4.566 6.519 -4.033 153 HH21 ARG 17 1HH2 ARG 17 -7.063 4.001 -4.284 154 HH22 ARG 17 2HH2 ARG 17 -6.145 5.123 -5.175 155 H GLY 18 HN GLY 18 -9.354 3.127 3.726 156 HA2 GLY 18 2HA GLY 18 -11.621 2.935 3.956 157 HA3 GLY 18 1HA GLY 18 -11.757 3.001 2.202 Start of MODEL 4 1 H1 LYS 1 HN LYS 1 -12.317 1.471 1.348 2 HA LYS 1 HA LYS 1 -12.430 -1.320 2.111 3 HB2 LYS 1 2HB LYS 1 -13.904 -1.565 0.153 4 HB3 LYS 1 1HB LYS 1 -14.455 -0.356 1.300 5 HG2 LYS 1 2HG LYS 1 -13.964 1.425 -0.120 6 HG3 LYS 1 1HG LYS 1 -12.829 0.473 -1.072 7 HD2 LYS 1 2HD LYS 1 -15.793 -0.061 -1.005 8 HD3 LYS 1 1HD LYS 1 -15.029 0.986 -2.202 9 HE2 LYS 1 2HE LYS 1 -13.591 -0.880 -2.893 10 HE3 LYS 1 1HE LYS 1 -14.379 -1.923 -1.720 11 HZ1 LYS 1 1HZ LYS 1 -15.250 -2.242 -3.922 12 HZ2 LYS 1 2HZ LYS 1 -15.705 -0.625 -4.028 13 HZ3 LYS 1 3HZ LYS 1 -16.451 -1.630 -2.923 14 H TRP 2 HN TRP 2 -10.456 0.610 0.059 15 HA TRP 2 HA TRP 2 -9.983 -1.635 -1.731 16 HB2 TRP 2 2HB TRP 2 -10.416 0.734 -2.592 17 HB3 TRP 2 1HB TRP 2 -8.827 1.135 -1.970 18 HD1 TRP 2 1HD TRP 2 -6.757 -0.472 -3.023 19 HE1 TRP 2 1HE TRP 2 -6.437 -1.251 -5.478 20 HE3 TRP 2 3HE TRP 2 -11.520 0.182 -4.713 21 HZ2 TRP 2 2HZ TRP 2 -7.998 -1.529 -7.793 22 HZ3 TRP 2 3HZ TRP 2 -12.022 -0.360 -7.058 23 HH2 TRP 2 2HH TRP 2 -10.297 -1.197 -8.559 24 H CYS 3 HN CYS 3 -8.314 -2.894 -1.376 25 HA CYS 3 HA CYS 3 -6.055 -1.814 0.142 26 HB2 CYS 3 2HB CYS 3 -7.012 -4.639 -0.192 27 HB3 CYS 3 1HB CYS 3 -5.488 -4.219 0.591 28 H PHE 4 HN PHE 4 -4.193 -1.611 -0.851 29 HA PHE 4 HA PHE 4 -3.756 -3.045 -3.318 30 HB2 PHE 4 2HB PHE 4 -2.978 -0.954 -4.434 31 HB3 PHE 4 1HB PHE 4 -4.692 -0.933 -4.074 32 HD1 PHE 4 1HD PHE 4 -1.666 0.868 -3.893 33 HD2 PHE 4 2HD PHE 4 -5.357 0.330 -1.842 34 HE1 PHE 4 1HE PHE 4 -1.392 3.053 -2.814 35 HE2 PHE 4 2HE PHE 4 -5.076 2.507 -0.765 36 HZ PHE 4 HZ PHE 4 -3.094 3.877 -1.249 37 H ARG 5 HN ARG 5 -1.410 -2.553 -4.029 38 HA ARG 5 HA ARG 5 0.160 -2.988 -1.611 39 HB2 ARG 5 2HB ARG 5 0.109 -4.755 -3.353 40 HB3 ARG 5 1HB ARG 5 0.818 -3.623 -4.486 41 HG2 ARG 5 2HG ARG 5 2.840 -3.505 -3.139 42 HG3 ARG 5 1HG ARG 5 2.122 -4.598 -1.950 43 HD2 ARG 5 2HD ARG 5 2.732 -5.227 -4.839 44 HD3 ARG 5 1HD ARG 5 3.588 -5.846 -3.424 45 HE ARG 5 HE ARG 5 0.946 -6.513 -3.077 46 HH11 ARG 5 1HH1 ARG 5 3.487 -7.303 -5.406 47 HH12 ARG 5 2HH1 ARG 5 2.817 -8.800 -5.852 48 HH21 ARG 5 1HH2 ARG 5 -0.003 -8.559 -3.724 49 HH22 ARG 5 2HH2 ARG 5 0.800 -9.532 -4.869 50 H VAL 6 HN VAL 6 1.616 -1.566 -1.017 51 HA VAL 6 HA VAL 6 2.410 0.535 -2.915 52 HB VAL 6 HB VAL 6 2.182 0.741 0.110 53 HG11 VAL 6 1HG1 VAL 6 2.686 3.118 -0.198 54 HG12 VAL 6 2HG1 VAL 6 2.927 2.843 -1.924 55 HG13 VAL 6 3HG1 VAL 6 4.015 2.099 -0.753 56 HG21 VAL 6 1HG2 VAL 6 0.007 0.738 -0.973 57 HG22 VAL 6 2HG2 VAL 6 0.529 2.039 -2.043 58 HG23 VAL 6 3HG2 VAL 6 0.382 2.325 -0.306 59 H CYS 7 HN CYS 7 4.527 0.614 -3.298 60 HA CYS 7 HA CYS 7 6.255 -0.832 -1.457 61 HB2 CYS 7 2HB CYS 7 6.679 -0.218 -4.395 62 HB3 CYS 7 1HB CYS 7 7.843 -1.025 -3.348 63 H TYR 8 HN TYR 8 7.429 0.288 -0.245 64 HA TYR 8 HA TYR 8 8.122 3.033 -0.990 65 HB2 TYR 8 2HB TYR 8 6.442 3.060 0.756 66 HB3 TYR 8 1HB TYR 8 7.348 1.882 1.689 67 HD1 TYR 8 1HD TYR 8 7.565 5.367 0.362 68 HD2 TYR 8 2HD TYR 8 8.834 2.583 3.314 69 HE1 TYR 8 1HE TYR 8 8.673 7.182 1.594 70 HE2 TYR 8 2HE TYR 8 9.936 4.375 4.550 71 HH TYR 8 HH TYR 8 9.452 7.675 3.884 72 H ARG 9 HN ARG 9 10.130 2.828 -1.651 73 HA ARG 9 HA ARG 9 12.369 2.657 -1.610 74 HB2 ARG 9 2HB ARG 9 12.062 2.377 1.390 75 HB3 ARG 9 1HB ARG 9 13.538 2.813 0.540 76 HG2 ARG 9 2HG ARG 9 12.352 4.866 -0.287 77 HG3 ARG 9 1HG ARG 9 11.012 4.436 0.772 78 HD2 ARG 9 2HD ARG 9 12.372 6.040 1.915 79 HD3 ARG 9 1HD ARG 9 12.606 4.473 2.691 80 HE ARG 9 HE ARG 9 14.517 4.998 0.642 81 HH11 ARG 9 1HH1 ARG 9 13.837 5.580 4.067 82 HH12 ARG 9 2HH1 ARG 9 15.460 5.886 4.459 83 HH21 ARG 9 1HH2 ARG 9 16.716 5.469 1.193 84 HH22 ARG 9 2HH2 ARG 9 17.138 5.836 2.793 85 H GLY 10 HN GLY 10 10.762 0.308 -1.914 86 HA2 GLY 10 2HA GLY 10 11.595 -1.803 -2.607 87 HA3 GLY 10 1HA GLY 10 12.831 -1.700 -1.362 88 H ILE 11 HN ILE 11 10.319 -0.689 0.275 89 HA ILE 11 HA ILE 11 9.702 -3.333 1.345 90 HB ILE 11 HB ILE 11 8.914 -0.600 2.398 91 HG12 ILE 11 2HG1 ILE 11 11.225 -2.295 3.347 92 HG13 ILE 11 1HG1 ILE 11 11.404 -0.979 2.190 93 HG21 ILE 11 1HG2 ILE 11 7.562 -2.450 3.258 94 HG22 ILE 11 2HG2 ILE 11 8.594 -1.795 4.528 95 HG23 ILE 11 3HG2 ILE 11 9.025 -3.311 3.738 96 HD11 ILE 11 1HD1 ILE 11 10.384 -0.740 5.013 97 HD12 ILE 11 2HD1 ILE 11 10.525 0.579 3.850 98 HD13 ILE 11 3HD1 ILE 11 11.976 -0.236 4.431 99 H CYS 12 HN CYS 12 8.012 -4.222 0.311 100 HA CYS 12 HA CYS 12 5.824 -2.482 -0.553 101 HB2 CYS 12 2HB CYS 12 6.345 -5.376 -1.267 102 HB3 CYS 12 1HB CYS 12 5.053 -4.364 -1.901 103 H TYR 13 HN TYR 13 3.915 -2.455 0.438 104 HA TYR 13 HA TYR 13 3.272 -4.656 2.177 105 HB2 TYR 13 2HB TYR 13 2.585 -3.063 3.967 106 HB3 TYR 13 1HB TYR 13 4.318 -3.114 3.693 107 HD1 TYR 13 1HD TYR 13 1.253 -1.062 3.294 108 HD2 TYR 13 2HD TYR 13 5.500 -1.163 2.923 109 HE1 TYR 13 1HE TYR 13 1.297 1.368 3.100 110 HE2 TYR 13 2HE TYR 13 5.541 1.270 2.721 111 HH TYR 13 HH TYR 13 3.976 3.111 2.048 112 H ARG 14 HN ARG 14 1.092 -4.514 2.890 113 HA ARG 14 HA ARG 14 -0.663 -3.806 0.719 114 HB2 ARG 14 2HB ARG 14 -0.956 -5.969 1.694 115 HB3 ARG 14 1HB ARG 14 -0.999 -5.293 3.312 116 HG2 ARG 14 2HG ARG 14 -3.125 -4.153 2.712 117 HG3 ARG 14 1HG ARG 14 -3.094 -5.018 1.172 118 HD2 ARG 14 2HD ARG 14 -3.207 -7.118 2.258 119 HD3 ARG 14 1HD ARG 14 -2.938 -6.385 3.838 120 HE ARG 14 HE ARG 14 -5.261 -5.396 2.532 121 HH11 ARG 14 1HH1 ARG 14 -4.000 -8.016 4.536 122 HH12 ARG 14 2HH1 ARG 14 -5.515 -8.428 5.198 123 HH21 ARG 14 1HH2 ARG 14 -7.359 -5.979 3.435 124 HH22 ARG 14 2HH2 ARG 14 -7.464 -7.250 4.547 125 H LYS 15 HN LYS 15 -1.119 -1.705 0.731 126 HA LYS 15 HA LYS 15 -1.869 -0.460 3.267 127 HB2 LYS 15 2HB LYS 15 -0.286 0.769 1.797 128 HB3 LYS 15 1HB LYS 15 -1.526 0.822 0.556 129 HG2 LYS 15 2HG LYS 15 -1.487 2.952 1.659 130 HG3 LYS 15 1HG LYS 15 -2.964 2.117 2.144 131 HD2 LYS 15 2HD LYS 15 -1.772 1.371 4.215 132 HD3 LYS 15 1HD LYS 15 -0.414 2.370 3.733 133 HE2 LYS 15 2HE LYS 15 -1.755 3.557 5.351 134 HE3 LYS 15 1HE LYS 15 -1.870 4.355 3.786 135 HZ1 LYS 15 1HZ LYS 15 -3.911 2.514 4.940 136 HZ2 LYS 15 2HZ LYS 15 -4.030 3.323 3.454 137 HZ3 LYS 15 3HZ LYS 15 -4.013 4.196 4.876 138 H CYS 16 HN CYS 16 -3.904 -0.140 3.729 139 HA CYS 16 HA CYS 16 -5.866 -0.580 1.616 140 HB2 CYS 16 2HB CYS 16 -6.144 -1.055 4.591 141 HB3 CYS 16 1HB CYS 16 -7.460 -1.190 3.429 142 H ARG 17 HN ARG 17 -7.026 1.001 1.011 143 HA ARG 17 HA ARG 17 -7.233 3.401 2.675 144 HB2 ARG 17 2HB ARG 17 -6.107 3.787 0.518 145 HB3 ARG 17 1HB ARG 17 -7.438 3.018 -0.329 146 HG2 ARG 17 2HG ARG 17 -8.919 4.830 0.393 147 HG3 ARG 17 1HG ARG 17 -7.561 5.610 1.204 148 HD2 ARG 17 2HD ARG 17 -7.685 4.974 -1.739 149 HD3 ARG 17 1HD ARG 17 -8.045 6.549 -1.041 150 HE ARG 17 HE ARG 17 -5.694 6.419 -0.154 151 HH11 ARG 17 1HH1 ARG 17 -6.586 4.834 -3.194 152 HH12 ARG 17 2HH1 ARG 17 -5.095 5.105 -3.956 153 HH21 ARG 17 1HH2 ARG 17 -3.614 6.823 -1.220 154 HH22 ARG 17 2HH2 ARG 17 -3.377 6.293 -2.809 155 H GLY 18 HN GLY 18 -8.984 2.714 3.839 156 HA2 GLY 18 2HA GLY 18 -11.178 2.369 4.305 157 HA3 GLY 18 1HA GLY 18 -11.526 2.901 2.661 Start of MODEL 5 1 H1 LYS 1 HN LYS 1 -11.999 0.886 0.883 2 HA LYS 1 HA LYS 1 -12.078 -1.611 2.450 3 HB2 LYS 1 2HB LYS 1 -13.772 -2.485 0.922 4 HB3 LYS 1 1HB LYS 1 -14.363 -1.039 1.730 5 HG2 LYS 1 2HG LYS 1 -13.987 0.286 -0.235 6 HG3 LYS 1 1HG LYS 1 -13.188 -1.062 -1.043 7 HD2 LYS 1 2HD LYS 1 -15.303 -2.314 -0.988 8 HD3 LYS 1 1HD LYS 1 -16.083 -0.931 -0.212 9 HE2 LYS 1 2HE LYS 1 -15.594 0.454 -2.131 10 HE3 LYS 1 1HE LYS 1 -14.740 -0.872 -2.912 11 HZ1 LYS 1 1HZ LYS 1 -16.814 -2.099 -2.986 12 HZ2 LYS 1 2HZ LYS 1 -16.972 -0.619 -3.767 13 HZ3 LYS 1 3HZ LYS 1 -17.623 -0.825 -2.225 14 H TRP 2 HN TRP 2 -10.393 0.166 0.218 15 HA TRP 2 HA TRP 2 -9.944 -2.097 -1.553 16 HB2 TRP 2 2HB TRP 2 -10.693 0.240 -2.367 17 HB3 TRP 2 1HB TRP 2 -9.038 0.726 -2.016 18 HD1 TRP 2 1HD TRP 2 -7.118 -0.752 -3.386 19 HE1 TRP 2 1HE TRP 2 -7.211 -1.616 -5.846 20 HE3 TRP 2 3HE TRP 2 -12.144 -0.523 -4.109 21 HZ2 TRP 2 2HZ TRP 2 -9.196 -2.116 -7.792 22 HZ3 TRP 2 3HZ TRP 2 -13.070 -1.204 -6.281 23 HH2 TRP 2 2HH TRP 2 -11.625 -1.980 -8.075 24 H CYS 3 HN CYS 3 -8.071 -3.098 -1.437 25 HA CYS 3 HA CYS 3 -5.915 -1.860 0.100 26 HB2 CYS 3 2HB CYS 3 -6.564 -4.758 -0.378 27 HB3 CYS 3 1HB CYS 3 -5.099 -4.200 0.424 28 H PHE 4 HN PHE 4 -4.108 -1.417 -0.872 29 HA PHE 4 HA PHE 4 -3.524 -2.624 -3.452 30 HB2 PHE 4 2HB PHE 4 -2.691 -0.266 -4.131 31 HB3 PHE 4 1HB PHE 4 -4.421 -0.570 -4.171 32 HD1 PHE 4 1HD PHE 4 -5.912 0.671 -2.808 33 HD2 PHE 4 2HD PHE 4 -1.715 1.064 -2.240 34 HE1 PHE 4 1HE PHE 4 -6.304 2.587 -1.347 35 HE2 PHE 4 2HE PHE 4 -2.108 2.994 -0.764 36 HZ PHE 4 HZ PHE 4 -4.405 3.755 -0.319 37 H ARG 5 HN ARG 5 -1.242 -2.310 -4.059 38 HA ARG 5 HA ARG 5 0.386 -2.727 -1.687 39 HB2 ARG 5 2HB ARG 5 0.500 -4.421 -3.450 40 HB3 ARG 5 1HB ARG 5 1.003 -3.200 -4.608 41 HG2 ARG 5 2HG ARG 5 3.048 -2.819 -3.293 42 HG3 ARG 5 1HG ARG 5 2.549 -4.089 -2.178 43 HD2 ARG 5 2HD ARG 5 4.140 -5.002 -3.740 44 HD3 ARG 5 1HD ARG 5 2.549 -5.679 -4.079 45 HE ARG 5 HE ARG 5 3.193 -3.362 -5.642 46 HH11 ARG 5 1HH1 ARG 5 3.477 -6.879 -5.450 47 HH12 ARG 5 2HH1 ARG 5 3.629 -7.099 -7.125 48 HH21 ARG 5 1HH2 ARG 5 3.467 -3.663 -7.953 49 HH22 ARG 5 2HH2 ARG 5 3.600 -5.212 -8.597 50 H VAL 6 HN VAL 6 1.703 -1.234 -0.957 51 HA VAL 6 HA VAL 6 2.526 0.908 -2.779 52 HB VAL 6 HB VAL 6 2.392 1.033 0.253 53 HG11 VAL 6 1HG1 VAL 6 2.840 3.188 -1.805 54 HG12 VAL 6 2HG1 VAL 6 4.050 2.511 -0.717 55 HG13 VAL 6 3HG1 VAL 6 2.702 3.443 -0.065 56 HG21 VAL 6 1HG2 VAL 6 0.471 2.236 -1.742 57 HG22 VAL 6 2HG2 VAL 6 0.440 2.482 0.005 58 HG23 VAL 6 3HG2 VAL 6 0.132 0.885 -0.663 59 H CYS 7 HN CYS 7 4.629 0.805 -3.242 60 HA CYS 7 HA CYS 7 6.342 -0.696 -1.415 61 HB2 CYS 7 2HB CYS 7 6.675 -0.178 -4.374 62 HB3 CYS 7 1HB CYS 7 7.843 -1.014 -3.357 63 H TYR 8 HN TYR 8 7.634 0.394 -0.273 64 HA TYR 8 HA TYR 8 8.650 2.973 -1.246 65 HB2 TYR 8 2HB TYR 8 6.999 3.278 0.560 66 HB3 TYR 8 1HB TYR 8 7.879 2.138 1.563 67 HD1 TYR 8 1HD TYR 8 9.868 2.819 2.749 68 HD2 TYR 8 2HD TYR 8 7.895 5.538 0.145 69 HE1 TYR 8 1HE TYR 8 11.122 4.653 3.735 70 HE2 TYR 8 2HE TYR 8 9.165 7.389 1.111 71 HH TYR 8 HH TYR 8 10.332 7.890 3.217 72 H ARG 9 HN ARG 9 10.700 2.569 -1.759 73 HA ARG 9 HA ARG 9 12.890 1.973 -1.633 74 HB2 ARG 9 2HB ARG 9 12.260 1.592 1.294 75 HB3 ARG 9 1HB ARG 9 13.876 1.525 0.617 76 HG2 ARG 9 2HG ARG 9 13.590 3.878 -0.140 77 HG3 ARG 9 1HG ARG 9 12.028 3.884 0.657 78 HD2 ARG 9 2HD ARG 9 13.833 4.869 2.040 79 HD3 ARG 9 1HD ARG 9 13.008 3.511 2.798 80 HE ARG 9 HE ARG 9 15.201 2.468 1.489 81 HH11 ARG 9 1HH1 ARG 9 14.733 4.876 4.044 82 HH12 ARG 9 2HH1 ARG 9 16.116 4.403 4.917 83 HH21 ARG 9 1HH2 ARG 9 17.101 1.840 2.692 84 HH22 ARG 9 2HH2 ARG 9 17.485 2.647 4.139 85 H GLY 10 HN GLY 10 10.797 -0.022 -2.107 86 HA2 GLY 10 2HA GLY 10 11.104 -2.258 -2.830 87 HA3 GLY 10 1HA GLY 10 12.472 -2.386 -1.725 88 H ILE 11 HN ILE 11 10.509 -0.983 0.213 89 HA ILE 11 HA ILE 11 9.599 -3.415 1.469 90 HB ILE 11 HB ILE 11 9.231 -0.516 2.310 91 HG12 ILE 11 2HG1 ILE 11 11.399 -2.404 3.231 92 HG13 ILE 11 1HG1 ILE 11 11.629 -1.207 1.961 93 HG21 ILE 11 1HG2 ILE 11 7.748 -2.060 3.459 94 HG22 ILE 11 2HG2 ILE 11 8.985 -1.467 4.570 95 HG23 ILE 11 3HG2 ILE 11 9.116 -3.088 3.888 96 HD11 ILE 11 1HD1 ILE 11 12.478 -0.405 4.087 97 HD12 ILE 11 2HD1 ILE 11 10.893 -0.648 4.828 98 HD13 ILE 11 3HD1 ILE 11 11.102 0.566 3.564 99 H CYS 12 HN CYS 12 7.864 -4.166 0.384 100 HA CYS 12 HA CYS 12 5.803 -2.289 -0.443 101 HB2 CYS 12 2HB CYS 12 6.122 -5.219 -1.093 102 HB3 CYS 12 1HB CYS 12 4.892 -4.132 -1.729 103 H TYR 13 HN TYR 13 4.053 -2.036 0.663 104 HA TYR 13 HA TYR 13 3.245 -4.171 2.435 105 HB2 TYR 13 2HB TYR 13 2.544 -2.429 4.096 106 HB3 TYR 13 1HB TYR 13 4.280 -2.524 3.865 107 HD1 TYR 13 1HD TYR 13 1.304 -0.448 3.539 108 HD2 TYR 13 2HD TYR 13 5.472 -0.674 2.711 109 HE1 TYR 13 1HE TYR 13 1.359 1.977 3.175 110 HE2 TYR 13 2HE TYR 13 5.543 1.740 2.344 111 HH TYR 13 HH TYR 13 3.941 3.558 1.699 112 H ARG 14 HN ARG 14 1.048 -4.319 2.710 113 HA ARG 14 HA ARG 14 -0.431 -3.257 0.464 114 HB2 ARG 14 2HB ARG 14 -0.617 -5.646 0.967 115 HB3 ARG 14 1HB ARG 14 -1.242 -5.271 2.566 116 HG2 ARG 14 2HG ARG 14 -3.200 -4.236 1.568 117 HG3 ARG 14 1HG ARG 14 -2.574 -4.584 -0.045 118 HD2 ARG 14 2HD ARG 14 -4.209 -6.259 0.556 119 HD3 ARG 14 1HD ARG 14 -2.600 -6.978 0.505 120 HE ARG 14 HE ARG 14 -3.061 -6.199 3.114 121 HH11 ARG 14 1HH1 ARG 14 -4.365 -8.551 0.817 122 HH12 ARG 14 2HH1 ARG 14 -4.942 -9.624 2.013 123 HH21 ARG 14 1HH2 ARG 14 -3.829 -7.683 4.759 124 HH22 ARG 14 2HH2 ARG 14 -4.617 -9.111 4.313 125 H LYS 15 HN LYS 15 -0.949 -1.284 0.827 126 HA LYS 15 HA LYS 15 -1.954 -0.386 3.393 127 HB2 LYS 15 2HB LYS 15 -0.408 1.036 2.103 128 HB3 LYS 15 1HB LYS 15 -1.553 1.058 0.773 129 HG2 LYS 15 2HG LYS 15 -1.651 3.141 1.976 130 HG3 LYS 15 1HG LYS 15 -3.158 2.253 2.196 131 HD2 LYS 15 2HD LYS 15 -2.413 1.508 4.394 132 HD3 LYS 15 1HD LYS 15 -0.876 2.349 4.170 133 HE2 LYS 15 2HE LYS 15 -2.354 3.687 5.542 134 HE3 LYS 15 1HE LYS 15 -2.085 4.469 3.991 135 HZ1 LYS 15 1HZ LYS 15 -4.250 3.643 3.241 136 HZ2 LYS 15 2HZ LYS 15 -4.391 4.601 4.579 137 HZ3 LYS 15 3HZ LYS 15 -4.540 2.937 4.750 138 H CYS 16 HN CYS 16 -4.061 -0.094 3.783 139 HA CYS 16 HA CYS 16 -5.899 -0.521 1.550 140 HB2 CYS 16 2HB CYS 16 -6.317 -1.215 4.465 141 HB3 CYS 16 1HB CYS 16 -7.466 -1.476 3.157 142 H ARG 17 HN ARG 17 -7.434 0.929 1.230 143 HA ARG 17 HA ARG 17 -7.809 3.029 3.233 144 HB2 ARG 17 2HB ARG 17 -6.350 3.741 1.281 145 HB3 ARG 17 1HB ARG 17 -7.741 3.475 0.250 146 HG2 ARG 17 2HG ARG 17 -9.011 5.152 1.451 147 HG3 ARG 17 1HG ARG 17 -7.659 5.418 2.545 148 HD2 ARG 17 2HD ARG 17 -6.287 6.106 0.588 149 HD3 ARG 17 1HD ARG 17 -7.728 5.937 -0.414 150 HE ARG 17 HE ARG 17 -8.383 7.575 1.703 151 HH11 ARG 17 1HH1 ARG 17 -6.207 7.715 -1.101 152 HH12 ARG 17 2HH1 ARG 17 -6.275 9.406 -1.232 153 HH21 ARG 17 1HH2 ARG 17 -8.453 9.903 1.518 154 HH22 ARG 17 2HH2 ARG 17 -7.561 10.654 0.273 155 H GLY 18 HN GLY 18 -9.851 2.834 3.864 156 HA2 GLY 18 2HA GLY 18 -12.145 2.781 3.713 157 HA3 GLY 18 1HA GLY 18 -12.001 2.771 1.956 Start of MODEL 6 1 H1 LYS 1 HN LYS 1 -12.014 1.164 1.548 2 HA LYS 1 HA LYS 1 -11.618 -1.425 2.911 3 HB2 LYS 1 2HB LYS 1 -13.662 -0.639 0.846 4 HB3 LYS 1 1HB LYS 1 -13.554 -2.191 1.655 5 HG2 LYS 1 2HG LYS 1 -14.084 -1.151 3.774 6 HG3 LYS 1 1HG LYS 1 -14.126 0.435 3.000 7 HD2 LYS 1 2HD LYS 1 -15.929 -0.334 1.542 8 HD3 LYS 1 1HD LYS 1 -15.898 -1.900 2.345 9 HE2 LYS 1 2HE LYS 1 -16.475 -0.824 4.454 10 HE3 LYS 1 1HE LYS 1 -16.521 0.741 3.640 11 HZ1 LYS 1 1HZ LYS 1 -18.744 -0.184 3.843 12 HZ2 LYS 1 2HZ LYS 1 -18.263 -1.581 3.039 13 HZ3 LYS 1 3HZ LYS 1 -18.285 -0.100 2.229 14 H TRP 2 HN TRP 2 -10.257 0.389 0.578 15 HA TRP 2 HA TRP 2 -10.063 -1.773 -1.395 16 HB2 TRP 2 2HB TRP 2 -10.794 0.608 -2.024 17 HB3 TRP 2 1HB TRP 2 -9.133 1.077 -1.700 18 HD1 TRP 2 1HD TRP 2 -7.281 -0.546 -3.229 19 HE1 TRP 2 1HE TRP 2 -7.457 -1.054 -5.761 20 HE3 TRP 2 3HE TRP 2 -12.250 0.401 -3.907 21 HZ2 TRP 2 2HZ TRP 2 -9.432 -1.032 -7.764 22 HZ3 TRP 2 3HZ TRP 2 -13.207 0.141 -6.160 23 HH2 TRP 2 2HH TRP 2 -11.822 -0.558 -8.045 24 H CYS 3 HN CYS 3 -8.254 -2.968 -1.248 25 HA CYS 3 HA CYS 3 -5.912 -1.763 0.029 26 HB2 CYS 3 2HB CYS 3 -6.673 -4.637 -0.332 27 HB3 CYS 3 1HB CYS 3 -5.244 -4.065 0.520 28 H PHE 4 HN PHE 4 -4.012 -1.675 -1.005 29 HA PHE 4 HA PHE 4 -3.603 -3.130 -3.462 30 HB2 PHE 4 2HB PHE 4 -2.960 -1.042 -4.705 31 HB3 PHE 4 1HB PHE 4 -4.671 -1.139 -4.335 32 HD1 PHE 4 1HD PHE 4 -5.569 0.249 -2.411 33 HD2 PHE 4 2HD PHE 4 -1.660 0.790 -4.005 34 HE1 PHE 4 1HE PHE 4 -5.481 2.482 -1.414 35 HE2 PHE 4 2HE PHE 4 -1.569 3.031 -2.994 36 HZ PHE 4 HZ PHE 4 -3.473 3.876 -1.697 37 H ARG 5 HN ARG 5 -1.372 -3.076 -4.140 38 HA ARG 5 HA ARG 5 0.366 -3.092 -1.832 39 HB2 ARG 5 2HB ARG 5 0.488 -4.971 -3.343 40 HB3 ARG 5 1HB ARG 5 0.813 -3.909 -4.700 41 HG2 ARG 5 2HG ARG 5 2.977 -3.323 -3.735 42 HG3 ARG 5 1HG ARG 5 2.649 -4.376 -2.357 43 HD2 ARG 5 2HD ARG 5 2.564 -6.310 -3.795 44 HD3 ARG 5 1HD ARG 5 2.696 -5.271 -5.215 45 HE ARG 5 HE ARG 5 4.928 -4.641 -4.226 46 HH11 ARG 5 1HH1 ARG 5 3.544 -7.893 -3.778 47 HH12 ARG 5 2HH1 ARG 5 5.044 -8.678 -3.768 48 HH21 ARG 5 1HH2 ARG 5 7.023 -5.787 -4.217 49 HH22 ARG 5 2HH2 ARG 5 7.046 -7.465 -4.005 50 H VAL 6 HN VAL 6 1.628 -1.553 -1.261 51 HA VAL 6 HA VAL 6 2.404 0.545 -3.175 52 HB VAL 6 HB VAL 6 2.263 0.730 -0.146 53 HG11 VAL 6 1HG1 VAL 6 2.657 2.880 -2.224 54 HG12 VAL 6 2HG1 VAL 6 3.882 2.246 -1.127 55 HG13 VAL 6 3HG1 VAL 6 2.507 3.144 -0.486 56 HG21 VAL 6 1HG2 VAL 6 0.007 0.498 -1.024 57 HG22 VAL 6 2HG2 VAL 6 0.297 1.806 -2.170 58 HG23 VAL 6 3HG2 VAL 6 0.269 2.137 -0.438 59 H CYS 7 HN CYS 7 4.545 0.552 -3.590 60 HA CYS 7 HA CYS 7 6.294 -0.803 -1.687 61 HB2 CYS 7 2HB CYS 7 6.595 -0.395 -4.667 62 HB3 CYS 7 1HB CYS 7 7.878 -1.003 -3.626 63 H TYR 8 HN TYR 8 7.466 0.410 -0.546 64 HA TYR 8 HA TYR 8 8.333 3.021 -1.564 65 HB2 TYR 8 2HB TYR 8 6.379 3.261 -0.081 66 HB3 TYR 8 1HB TYR 8 7.241 2.386 1.175 67 HD1 TYR 8 1HD TYR 8 9.047 3.522 2.435 68 HD2 TYR 8 2HD TYR 8 6.931 5.547 -0.646 69 HE1 TYR 8 1HE TYR 8 9.926 5.638 3.239 70 HE2 TYR 8 2HE TYR 8 7.821 7.683 0.139 71 HH TYR 8 HH TYR 8 8.728 8.633 2.270 72 H ARG 9 HN ARG 9 10.489 2.728 -1.734 73 HA ARG 9 HA ARG 9 12.681 2.394 -1.167 74 HB2 ARG 9 2HB ARG 9 11.563 2.435 1.639 75 HB3 ARG 9 1HB ARG 9 13.276 2.395 1.261 76 HG2 ARG 9 2HG ARG 9 13.063 4.554 0.120 77 HG3 ARG 9 1HG ARG 9 11.346 4.569 0.503 78 HD2 ARG 9 2HD ARG 9 12.730 5.930 2.057 79 HD3 ARG 9 1HD ARG 9 11.785 4.669 2.848 80 HE ARG 9 HE ARG 9 14.128 3.452 2.474 81 HH11 ARG 9 1HH1 ARG 9 13.435 6.651 3.777 82 HH12 ARG 9 2HH1 ARG 9 14.697 6.638 4.905 83 HH21 ARG 9 1HH2 ARG 9 15.884 3.409 4.021 84 HH22 ARG 9 2HH2 ARG 9 16.137 4.751 5.028 85 H GLY 10 HN GLY 10 10.894 0.100 -1.614 86 HA2 GLY 10 2HA GLY 10 11.644 -2.144 -1.909 87 HA3 GLY 10 1HA GLY 10 12.661 -1.945 -0.482 88 H ILE 11 HN ILE 11 10.174 -0.547 0.675 89 HA ILE 11 HA ILE 11 9.188 -2.909 2.006 90 HB ILE 11 HB ILE 11 8.348 -0.017 2.376 91 HG12 ILE 11 2HG1 ILE 11 10.404 -1.540 3.971 92 HG13 ILE 11 1HG1 ILE 11 10.818 -0.421 2.678 93 HG21 ILE 11 1HG2 ILE 11 6.812 -1.695 3.313 94 HG22 ILE 11 2HG2 ILE 11 7.617 -0.784 4.589 95 HG23 ILE 11 3HG2 ILE 11 8.152 -2.419 4.202 96 HD11 ILE 11 1HD1 ILE 11 9.777 1.400 3.938 97 HD12 ILE 11 2HD1 ILE 11 11.033 0.600 4.885 98 HD13 ILE 11 3HD1 ILE 11 9.333 0.263 5.213 99 H CYS 12 HN CYS 12 7.825 -3.976 0.704 100 HA CYS 12 HA CYS 12 5.738 -2.416 -0.586 101 HB2 CYS 12 2HB CYS 12 6.560 -5.284 -1.075 102 HB3 CYS 12 1HB CYS 12 5.234 -4.430 -1.864 103 H TYR 13 HN TYR 13 3.976 -2.252 0.495 104 HA TYR 13 HA TYR 13 3.071 -4.522 2.085 105 HB2 TYR 13 2HB TYR 13 2.254 -2.920 3.810 106 HB3 TYR 13 1HB TYR 13 4.002 -2.915 3.660 107 HD1 TYR 13 1HD TYR 13 1.001 -0.930 3.572 108 HD2 TYR 13 2HD TYR 13 5.087 -0.975 2.380 109 HE1 TYR 13 1HE TYR 13 0.958 1.502 3.322 110 HE2 TYR 13 2HE TYR 13 5.047 1.449 2.122 111 HH TYR 13 HH TYR 13 3.440 3.252 1.771 112 H ARG 14 HN ARG 14 0.788 -4.591 2.319 113 HA ARG 14 HA ARG 14 -0.510 -3.351 0.041 114 HB2 ARG 14 2HB ARG 14 -0.809 -5.794 0.328 115 HB3 ARG 14 1HB ARG 14 -1.504 -5.507 1.912 116 HG2 ARG 14 2HG ARG 14 -3.346 -4.318 0.926 117 HG3 ARG 14 1HG ARG 14 -2.670 -4.549 -0.687 118 HD2 ARG 14 2HD ARG 14 -3.427 -6.801 1.169 119 HD3 ARG 14 1HD ARG 14 -4.512 -6.155 -0.061 120 HE ARG 14 HE ARG 14 -2.118 -6.876 -1.302 121 HH11 ARG 14 1HH1 ARG 14 -4.783 -8.502 0.407 122 HH12 ARG 14 2HH1 ARG 14 -4.666 -9.940 -0.492 123 HH21 ARG 14 1HH2 ARG 14 -1.964 -8.895 -2.538 124 HH22 ARG 14 2HH2 ARG 14 -3.038 -10.166 -2.175 125 H LYS 15 HN LYS 15 -0.988 -1.388 0.545 126 HA LYS 15 HA LYS 15 -1.936 -0.668 3.160 127 HB2 LYS 15 2HB LYS 15 -0.426 0.853 1.975 128 HB3 LYS 15 1HB LYS 15 -1.555 0.964 0.645 129 HG2 LYS 15 2HG LYS 15 -1.619 2.965 2.053 130 HG3 LYS 15 1HG LYS 15 -3.165 2.120 2.057 131 HD2 LYS 15 2HD LYS 15 -2.587 1.101 4.225 132 HD3 LYS 15 1HD LYS 15 -1.054 1.975 4.221 133 HE2 LYS 15 2HE LYS 15 -3.786 3.258 4.158 134 HE3 LYS 15 1HE LYS 15 -2.805 3.055 5.606 135 HZ1 LYS 15 1HZ LYS 15 -1.142 4.468 4.684 136 HZ2 LYS 15 2HZ LYS 15 -2.627 5.276 4.581 137 HZ3 LYS 15 3HZ LYS 15 -1.943 4.587 3.214 138 H CYS 16 HN CYS 16 -3.966 -0.318 3.678 139 HA CYS 16 HA CYS 16 -5.964 -0.654 1.590 140 HB2 CYS 16 2HB CYS 16 -6.156 -1.157 4.561 141 HB3 CYS 16 1HB CYS 16 -7.480 -1.341 3.416 142 H ARG 17 HN ARG 17 -6.907 1.039 0.979 143 HA ARG 17 HA ARG 17 -7.095 3.390 2.716 144 HB2 ARG 17 2HB ARG 17 -5.989 3.694 0.525 145 HB3 ARG 17 1HB ARG 17 -7.404 3.038 -0.276 146 HG2 ARG 17 2HG ARG 17 -8.718 4.951 0.486 147 HG3 ARG 17 1HG ARG 17 -7.282 5.615 1.277 148 HD2 ARG 17 2HD ARG 17 -6.130 5.689 -0.873 149 HD3 ARG 17 1HD ARG 17 -7.546 4.999 -1.650 150 HE ARG 17 HE ARG 17 -8.310 7.325 -0.317 151 HH11 ARG 17 1HH1 ARG 17 -6.432 6.319 -3.154 152 HH12 ARG 17 2HH1 ARG 17 -6.615 7.795 -3.970 153 HH21 ARG 17 1HH2 ARG 17 -8.614 9.318 -1.468 154 HH22 ARG 17 2HH2 ARG 17 -7.928 9.549 -3.010 155 H GLY 18 HN GLY 18 -8.924 3.108 3.849 156 HA2 GLY 18 2HA GLY 18 -11.152 2.861 4.283 157 HA3 GLY 18 1HA GLY 18 -11.449 2.944 2.546 Start of MODEL 7 1 H1 LYS 1 HN LYS 1 -11.520 1.526 1.005 2 HA LYS 1 HA LYS 1 -11.308 -1.055 2.355 3 HB2 LYS 1 2HB LYS 1 -13.196 -1.919 1.019 4 HB3 LYS 1 1HB LYS 1 -13.688 -0.614 2.081 5 HG2 LYS 1 2HG LYS 1 -13.711 0.926 0.193 6 HG3 LYS 1 1HG LYS 1 -13.165 -0.370 -0.874 7 HD2 LYS 1 2HD LYS 1 -15.201 -1.636 -0.378 8 HD3 LYS 1 1HD LYS 1 -15.745 -0.350 0.698 9 HE2 LYS 1 2HE LYS 1 -16.853 -0.178 -1.456 10 HE3 LYS 1 1HE LYS 1 -15.790 1.203 -1.206 11 HZ1 LYS 1 1HZ LYS 1 -15.602 0.359 -3.437 12 HZ2 LYS 1 2HZ LYS 1 -15.210 -1.183 -2.876 13 HZ3 LYS 1 3HZ LYS 1 -14.145 0.100 -2.628 14 H TRP 2 HN TRP 2 -10.041 0.916 0.097 15 HA TRP 2 HA TRP 2 -9.590 -1.006 -2.007 16 HB2 TRP 2 2HB TRP 2 -9.810 1.515 -2.378 17 HB3 TRP 2 1HB TRP 2 -8.252 1.682 -1.590 18 HD1 TRP 2 1HD TRP 2 -6.333 -0.152 -2.956 19 HE1 TRP 2 1HE TRP 2 -5.879 -0.147 -5.515 20 HE3 TRP 2 3HE TRP 2 -10.606 2.145 -4.531 21 HZ2 TRP 2 2HZ TRP 2 -7.153 0.760 -7.842 22 HZ3 TRP 2 3HZ TRP 2 -10.909 2.556 -6.934 23 HH2 TRP 2 2HH TRP 2 -9.218 1.880 -8.547 24 H CYS 3 HN CYS 3 -8.163 -2.564 -1.605 25 HA CYS 3 HA CYS 3 -5.784 -1.924 -0.001 26 HB2 CYS 3 2HB CYS 3 -6.980 -4.600 -0.707 27 HB3 CYS 3 1HB CYS 3 -5.558 -4.343 0.292 28 H PHE 4 HN PHE 4 -3.875 -1.874 -1.009 29 HA PHE 4 HA PHE 4 -3.547 -3.394 -3.420 30 HB2 PHE 4 2HB PHE 4 -2.824 -1.529 -4.798 31 HB3 PHE 4 1HB PHE 4 -4.465 -1.259 -4.250 32 HD1 PHE 4 1HD PHE 4 -1.356 0.203 -4.752 33 HD2 PHE 4 2HD PHE 4 -4.607 0.249 -2.009 34 HE1 PHE 4 1HE PHE 4 -0.703 2.462 -4.008 35 HE2 PHE 4 2HE PHE 4 -3.956 2.497 -1.268 36 HZ PHE 4 HZ PHE 4 -2.002 3.603 -2.272 37 H ARG 5 HN ARG 5 -1.305 -3.285 -4.176 38 HA ARG 5 HA ARG 5 0.454 -3.513 -1.937 39 HB2 ARG 5 2HB ARG 5 0.630 -5.157 -3.699 40 HB3 ARG 5 1HB ARG 5 0.850 -3.902 -4.903 41 HG2 ARG 5 2HG ARG 5 3.003 -3.317 -3.896 42 HG3 ARG 5 1HG ARG 5 2.784 -4.599 -2.706 43 HD2 ARG 5 2HD ARG 5 2.809 -6.276 -4.415 44 HD3 ARG 5 1HD ARG 5 2.771 -5.031 -5.667 45 HE ARG 5 HE ARG 5 5.005 -4.478 -4.227 46 HH11 ARG 5 1HH1 ARG 5 3.905 -7.372 -5.980 47 HH12 ARG 5 2HH1 ARG 5 5.461 -7.840 -6.449 48 HH21 ARG 5 1HH2 ARG 5 7.143 -5.132 -4.886 49 HH22 ARG 5 2HH2 ARG 5 7.349 -6.537 -5.817 50 H VAL 6 HN VAL 6 1.626 -1.975 -1.193 51 HA VAL 6 HA VAL 6 2.244 0.344 -2.886 52 HB VAL 6 HB VAL 6 2.122 0.258 0.138 53 HG11 VAL 6 1HG1 VAL 6 2.157 2.689 -0.006 54 HG12 VAL 6 2HG1 VAL 6 2.259 2.586 -1.761 55 HG13 VAL 6 3HG1 VAL 6 3.581 1.976 -0.765 56 HG21 VAL 6 1HG2 VAL 6 0.041 1.291 -1.779 57 HG22 VAL 6 2HG2 VAL 6 0.029 1.531 -0.034 58 HG23 VAL 6 3HG2 VAL 6 -0.120 -0.098 -0.701 59 H CYS 7 HN CYS 7 4.358 0.374 -3.394 60 HA CYS 7 HA CYS 7 6.174 -0.853 -1.473 61 HB2 CYS 7 2HB CYS 7 6.550 -0.396 -4.443 62 HB3 CYS 7 1HB CYS 7 7.774 -1.056 -3.362 63 H TYR 8 HN TYR 8 7.270 0.414 -0.335 64 HA TYR 8 HA TYR 8 7.881 3.147 -1.247 65 HB2 TYR 8 2HB TYR 8 6.042 3.062 0.419 66 HB3 TYR 8 1HB TYR 8 7.080 2.142 1.490 67 HD1 TYR 8 1HD TYR 8 8.678 3.231 2.886 68 HD2 TYR 8 2HD TYR 8 6.526 5.446 -0.026 69 HE1 TYR 8 1HE TYR 8 9.415 5.288 3.929 70 HE2 TYR 8 2HE TYR 8 7.260 7.534 1.001 71 HH TYR 8 HH TYR 8 8.057 8.333 3.156 72 H ARG 9 HN ARG 9 10.050 3.191 -1.492 73 HA ARG 9 HA ARG 9 12.299 2.909 -1.165 74 HB2 ARG 9 2HB ARG 9 11.467 2.093 1.634 75 HB3 ARG 9 1HB ARG 9 13.121 2.374 1.133 76 HG2 ARG 9 2HG ARG 9 12.603 4.728 0.737 77 HG3 ARG 9 1HG ARG 9 10.924 4.430 1.185 78 HD2 ARG 9 2HD ARG 9 12.224 5.384 3.055 79 HD3 ARG 9 1HD ARG 9 11.578 3.787 3.419 80 HE ARG 9 HE ARG 9 14.254 3.755 2.377 81 HH11 ARG 9 1HH1 ARG 9 12.311 3.933 5.350 82 HH12 ARG 9 2HH1 ARG 9 13.577 3.450 6.368 83 HH21 ARG 9 1HH2 ARG 9 15.998 3.035 3.809 84 HH22 ARG 9 2HH2 ARG 9 15.700 2.935 5.475 85 H GLY 10 HN GLY 10 10.446 0.660 -1.921 86 HA2 GLY 10 2HA GLY 10 11.017 -1.477 -2.755 87 HA3 GLY 10 1HA GLY 10 12.386 -1.494 -1.645 88 H ILE 11 HN ILE 11 10.155 -0.448 0.305 89 HA ILE 11 HA ILE 11 9.630 -3.054 1.444 90 HB ILE 11 HB ILE 11 8.737 -0.326 2.432 91 HG12 ILE 11 2HG1 ILE 11 11.240 -1.781 3.291 92 HG13 ILE 11 1HG1 ILE 11 11.247 -0.541 2.043 93 HG21 ILE 11 1HG2 ILE 11 9.183 -2.963 3.841 94 HG22 ILE 11 2HG2 ILE 11 7.621 -2.240 3.456 95 HG23 ILE 11 3HG2 ILE 11 8.693 -1.459 4.620 96 HD11 ILE 11 1HD1 ILE 11 10.399 -0.169 4.921 97 HD12 ILE 11 2HD1 ILE 11 10.401 1.091 3.686 98 HD13 ILE 11 3HD1 ILE 11 11.920 0.371 4.211 99 H CYS 12 HN CYS 12 7.915 -4.062 0.608 100 HA CYS 12 HA CYS 12 5.699 -2.445 -0.377 101 HB2 CYS 12 2HB CYS 12 6.318 -5.351 -0.940 102 HB3 CYS 12 1HB CYS 12 5.035 -4.397 -1.671 103 H TYR 13 HN TYR 13 3.791 -2.487 0.540 104 HA TYR 13 HA TYR 13 3.150 -4.583 2.410 105 HB2 TYR 13 2HB TYR 13 2.396 -2.867 4.083 106 HB3 TYR 13 1HB TYR 13 4.136 -2.913 3.864 107 HD1 TYR 13 1HD TYR 13 5.258 -1.047 2.620 108 HD2 TYR 13 2HD TYR 13 1.127 -0.898 3.620 109 HE1 TYR 13 1HE TYR 13 5.269 1.360 2.250 110 HE2 TYR 13 2HE TYR 13 1.127 1.530 3.246 111 HH TYR 13 HH TYR 13 3.633 3.175 1.691 112 H ARG 14 HN ARG 14 0.941 -4.797 2.694 113 HA ARG 14 HA ARG 14 -0.631 -3.731 0.524 114 HB2 ARG 14 2HB ARG 14 -0.855 -6.108 1.056 115 HB3 ARG 14 1HB ARG 14 -1.279 -5.712 2.709 116 HG2 ARG 14 2HG ARG 14 -3.363 -4.746 2.010 117 HG3 ARG 14 1HG ARG 14 -2.932 -4.944 0.310 118 HD2 ARG 14 2HD ARG 14 -2.890 -7.352 0.583 119 HD3 ARG 14 1HD ARG 14 -3.240 -7.186 2.299 120 HE ARG 14 HE ARG 14 -5.421 -6.393 1.730 121 HH11 ARG 14 1HH1 ARG 14 -3.651 -7.758 -1.001 122 HH12 ARG 14 2HH1 ARG 14 -5.022 -8.230 -1.867 123 HH21 ARG 14 1HH2 ARG 14 -7.333 -7.072 0.571 124 HH22 ARG 14 2HH2 ARG 14 -7.178 -7.826 -0.953 125 H LYS 15 HN LYS 15 -1.195 -1.733 0.872 126 HA LYS 15 HA LYS 15 -2.184 -0.998 3.507 127 HB2 LYS 15 2HB LYS 15 -0.588 0.565 2.559 128 HB3 LYS 15 1HB LYS 15 -1.543 0.689 1.092 129 HG2 LYS 15 2HG LYS 15 -1.805 2.687 2.472 130 HG3 LYS 15 1HG LYS 15 -3.325 1.820 2.319 131 HD2 LYS 15 2HD LYS 15 -3.068 2.596 4.596 132 HD3 LYS 15 1HD LYS 15 -2.952 0.842 4.572 133 HE2 LYS 15 2HE LYS 15 -0.522 0.997 4.738 134 HE3 LYS 15 1HE LYS 15 -0.614 2.757 4.680 135 HZ1 LYS 15 1HZ LYS 15 -1.821 2.726 6.782 136 HZ2 LYS 15 2HZ LYS 15 -0.362 1.898 6.963 137 HZ3 LYS 15 3HZ LYS 15 -1.792 1.050 6.816 138 H CYS 16 HN CYS 16 -4.226 -0.798 3.902 139 HA CYS 16 HA CYS 16 -6.092 -0.846 1.665 140 HB2 CYS 16 2HB CYS 16 -6.463 -1.698 4.548 141 HB3 CYS 16 1HB CYS 16 -7.744 -1.653 3.340 142 H ARG 17 HN ARG 17 -6.710 1.039 1.194 143 HA ARG 17 HA ARG 17 -6.947 3.102 3.258 144 HB2 ARG 17 2HB ARG 17 -5.394 3.520 1.357 145 HB3 ARG 17 1HB ARG 17 -6.744 3.343 0.249 146 HG2 ARG 17 2HG ARG 17 -7.814 5.288 1.256 147 HG3 ARG 17 1HG ARG 17 -6.446 5.468 2.350 148 HD2 ARG 17 2HD ARG 17 -4.946 5.776 0.461 149 HD3 ARG 17 1HD ARG 17 -6.291 5.570 -0.660 150 HE ARG 17 HE ARG 17 -7.176 7.582 0.783 151 HH11 ARG 17 1HH1 ARG 17 -3.984 7.086 -0.638 152 HH12 ARG 17 2HH1 ARG 17 -3.638 8.735 -0.826 153 HH21 ARG 17 1HH2 ARG 17 -6.711 9.839 0.537 154 HH22 ARG 17 2HH2 ARG 17 -5.240 10.351 -0.159 155 H GLY 18 HN GLY 18 -8.981 3.085 3.986 156 HA2 GLY 18 2HA GLY 18 -11.284 3.188 3.953 157 HA3 GLY 18 1HA GLY 18 -11.221 3.294 2.187 Start of MODEL 8 1 H1 LYS 1 HN LYS 1 -11.664 1.242 0.965 2 HA LYS 1 HA LYS 1 -11.889 -1.218 2.530 3 HB2 LYS 1 2HB LYS 1 -13.944 -1.818 1.290 4 HB3 LYS 1 1HB LYS 1 -14.161 -0.376 2.272 5 HG2 LYS 1 2HG LYS 1 -13.784 0.988 0.229 6 HG3 LYS 1 1HG LYS 1 -13.785 -0.504 -0.712 7 HD2 LYS 1 2HD LYS 1 -16.051 -0.979 0.092 8 HD3 LYS 1 1HD LYS 1 -16.035 0.525 1.012 9 HE2 LYS 1 2HE LYS 1 -15.842 0.256 -1.987 10 HE3 LYS 1 1HE LYS 1 -17.237 0.823 -1.074 11 HZ1 LYS 1 1HZ LYS 1 -15.856 2.718 -0.301 12 HZ2 LYS 1 2HZ LYS 1 -16.024 2.683 -1.973 13 HZ3 LYS 1 3HZ LYS 1 -14.599 2.176 -1.287 14 H TRP 2 HN TRP 2 -10.167 0.278 0.397 15 HA TRP 2 HA TRP 2 -10.005 -1.940 -1.527 16 HB2 TRP 2 2HB TRP 2 -10.607 0.390 -2.372 17 HB3 TRP 2 1HB TRP 2 -8.993 0.883 -1.882 18 HD1 TRP 2 1HD TRP 2 -6.938 -0.638 -3.163 19 HE1 TRP 2 1HE TRP 2 -6.852 -1.359 -5.628 20 HE3 TRP 2 3HE TRP 2 -11.878 -0.157 -4.290 21 HZ2 TRP 2 2HZ TRP 2 -8.664 -1.668 -7.776 22 HZ3 TRP 2 3HZ TRP 2 -12.617 -0.669 -6.556 23 HH2 TRP 2 2HH TRP 2 -11.053 -1.410 -8.265 24 H CYS 3 HN CYS 3 -8.086 -3.054 -1.485 25 HA CYS 3 HA CYS 3 -5.893 -1.834 0.024 26 HB2 CYS 3 2HB CYS 3 -6.536 -4.761 -0.320 27 HB3 CYS 3 1HB CYS 3 -5.168 -4.100 0.562 28 H PHE 4 HN PHE 4 -3.952 -1.689 -0.946 29 HA PHE 4 HA PHE 4 -3.481 -3.237 -3.307 30 HB2 PHE 4 2HB PHE 4 -2.884 -1.286 -4.701 31 HB3 PHE 4 1HB PHE 4 -4.583 -1.306 -4.275 32 HD1 PHE 4 1HD PHE 4 -5.325 0.243 -2.346 33 HD2 PHE 4 2HD PHE 4 -1.590 0.591 -4.344 34 HE1 PHE 4 1HE PHE 4 -5.165 2.578 -1.626 35 HE2 PHE 4 2HE PHE 4 -1.415 2.927 -3.613 36 HZ PHE 4 HZ PHE 4 -3.211 3.928 -2.249 37 H ARG 5 HN ARG 5 -1.268 -2.868 -4.110 38 HA ARG 5 HA ARG 5 0.468 -3.086 -1.842 39 HB2 ARG 5 2HB ARG 5 0.621 -4.639 -3.760 40 HB3 ARG 5 1HB ARG 5 1.072 -3.293 -4.792 41 HG2 ARG 5 2HG ARG 5 3.073 -2.942 -3.352 42 HG3 ARG 5 1HG ARG 5 2.641 -4.417 -2.485 43 HD2 ARG 5 2HD ARG 5 4.301 -4.919 -4.165 44 HD3 ARG 5 1HD ARG 5 2.756 -5.659 -4.600 45 HE ARG 5 HE ARG 5 2.674 -3.301 -5.893 46 HH11 ARG 5 1HH1 ARG 5 5.083 -5.867 -5.859 47 HH12 ARG 5 2HH1 ARG 5 5.681 -5.537 -7.416 48 HH21 ARG 5 1HH2 ARG 5 3.458 -2.821 -8.006 49 HH22 ARG 5 2HH2 ARG 5 4.710 -3.757 -8.684 50 H VAL 6 HN VAL 6 1.650 -1.543 -1.090 51 HA VAL 6 HA VAL 6 2.332 0.746 -2.795 52 HB VAL 6 HB VAL 6 1.874 0.755 0.219 53 HG11 VAL 6 1HG1 VAL 6 2.538 3.030 -1.648 54 HG12 VAL 6 2HG1 VAL 6 3.619 2.324 -0.446 55 HG13 VAL 6 3HG1 VAL 6 2.169 3.186 0.070 56 HG21 VAL 6 1HG2 VAL 6 -0.045 2.201 -0.258 57 HG22 VAL 6 2HG2 VAL 6 -0.225 0.614 -1.007 58 HG23 VAL 6 3HG2 VAL 6 0.241 2.004 -1.987 59 H CYS 7 HN CYS 7 4.461 0.967 -3.061 60 HA CYS 7 HA CYS 7 6.199 -0.538 -1.257 61 HB2 CYS 7 2HB CYS 7 6.643 0.199 -4.147 62 HB3 CYS 7 1HB CYS 7 7.802 -0.622 -3.108 63 H TYR 8 HN TYR 8 7.564 0.480 -0.098 64 HA TYR 8 HA TYR 8 8.369 3.189 -0.850 65 HB2 TYR 8 2HB TYR 8 7.003 3.393 1.111 66 HB3 TYR 8 1HB TYR 8 7.792 2.024 1.880 67 HD1 TYR 8 1HD TYR 8 9.263 2.519 3.570 68 HD2 TYR 8 2HD TYR 8 8.775 5.338 0.434 69 HE1 TYR 8 1HE TYR 8 10.843 4.020 4.690 70 HE2 TYR 8 2HE TYR 8 10.339 6.853 1.539 71 HH TYR 8 HH TYR 8 11.246 7.275 3.717 72 H ARG 9 HN ARG 9 10.311 2.864 -1.734 73 HA ARG 9 HA ARG 9 12.470 2.262 -2.041 74 HB2 ARG 9 2HB ARG 9 12.453 2.262 0.980 75 HB3 ARG 9 1HB ARG 9 13.903 2.260 -0.012 76 HG2 ARG 9 2HG ARG 9 13.174 4.434 -0.986 77 HG3 ARG 9 1HG ARG 9 11.807 4.404 0.115 78 HD2 ARG 9 2HD ARG 9 13.262 4.414 2.026 79 HD3 ARG 9 1HD ARG 9 14.686 4.336 0.990 80 HE ARG 9 HE ARG 9 13.192 6.535 0.213 81 HH11 ARG 9 1HH1 ARG 9 15.028 5.502 3.046 82 HH12 ARG 9 2HH1 ARG 9 15.466 7.071 3.530 83 HH21 ARG 9 1HH2 ARG 9 13.753 8.728 0.910 84 HH22 ARG 9 2HH2 ARG 9 14.705 8.950 2.294 85 H GLY 10 HN GLY 10 10.638 0.127 -2.125 86 HA2 GLY 10 2HA GLY 10 11.199 -2.128 -2.716 87 HA3 GLY 10 1HA GLY 10 12.475 -2.070 -1.503 88 H ILE 11 HN ILE 11 10.504 -0.767 0.354 89 HA ILE 11 HA ILE 11 9.572 -3.206 1.557 90 HB ILE 11 HB ILE 11 9.083 -0.319 2.375 91 HG12 ILE 11 2HG1 ILE 11 11.202 -2.201 3.418 92 HG13 ILE 11 1HG1 ILE 11 11.504 -0.983 2.185 93 HG21 ILE 11 1HG2 ILE 11 8.914 -2.881 3.970 94 HG22 ILE 11 2HG2 ILE 11 7.541 -1.930 3.406 95 HG23 ILE 11 3HG2 ILE 11 8.652 -1.254 4.598 96 HD11 ILE 11 1HD1 ILE 11 12.204 -0.255 4.421 97 HD12 ILE 11 2HD1 ILE 11 10.540 -0.423 4.991 98 HD13 ILE 11 3HD1 ILE 11 10.940 0.774 3.759 99 H CYS 12 HN CYS 12 7.924 -4.045 0.394 100 HA CYS 12 HA CYS 12 5.751 -2.260 -0.390 101 HB2 CYS 12 2HB CYS 12 6.330 -5.087 -1.277 102 HB3 CYS 12 1HB CYS 12 5.047 -4.044 -1.885 103 H TYR 13 HN TYR 13 3.820 -2.368 0.506 104 HA TYR 13 HA TYR 13 3.196 -4.657 2.159 105 HB2 TYR 13 2HB TYR 13 2.350 -3.036 3.921 106 HB3 TYR 13 1HB TYR 13 4.095 -3.165 3.781 107 HD1 TYR 13 1HD TYR 13 5.427 -1.275 3.221 108 HD2 TYR 13 2HD TYR 13 1.191 -1.005 3.012 109 HE1 TYR 13 1HE TYR 13 5.602 1.156 2.985 110 HE2 TYR 13 2HE TYR 13 1.368 1.432 2.766 111 HH TYR 13 HH TYR 13 4.237 3.041 2.098 112 H ARG 14 HN ARG 14 0.956 -4.758 2.679 113 HA ARG 14 HA ARG 14 -0.730 -3.810 0.546 114 HB2 ARG 14 2HB ARG 14 -1.068 -6.074 1.289 115 HB3 ARG 14 1HB ARG 14 -1.190 -5.563 2.964 116 HG2 ARG 14 2HG ARG 14 -3.302 -4.426 2.446 117 HG3 ARG 14 1HG ARG 14 -3.167 -4.973 0.772 118 HD2 ARG 14 2HD ARG 14 -3.285 -7.268 1.456 119 HD3 ARG 14 1HD ARG 14 -3.219 -6.818 3.154 120 HE ARG 14 HE ARG 14 -5.399 -5.617 2.608 121 HH11 ARG 14 1HH1 ARG 14 -4.427 -8.622 1.002 122 HH12 ARG 14 2HH1 ARG 14 -6.005 -9.247 0.888 123 HH21 ARG 14 1HH2 ARG 14 -7.590 -6.515 2.495 124 HH22 ARG 14 2HH2 ARG 14 -7.842 -8.015 1.763 125 H LYS 15 HN LYS 15 -1.195 -1.721 0.755 126 HA LYS 15 HA LYS 15 -1.941 -0.769 3.418 127 HB2 LYS 15 2HB LYS 15 -0.262 0.499 1.948 128 HB3 LYS 15 1HB LYS 15 -1.635 0.906 0.936 129 HG2 LYS 15 2HG LYS 15 -1.177 2.745 2.422 130 HG3 LYS 15 1HG LYS 15 -2.714 2.002 2.877 131 HD2 LYS 15 2HD LYS 15 -1.647 0.816 4.703 132 HD3 LYS 15 1HD LYS 15 -0.062 1.409 4.220 133 HE2 LYS 15 2HE LYS 15 -0.905 3.729 4.643 134 HE3 LYS 15 1HE LYS 15 -2.381 3.010 5.269 135 HZ1 LYS 15 1HZ LYS 15 -1.130 1.912 6.977 136 HZ2 LYS 15 2HZ LYS 15 -0.807 3.560 7.027 137 HZ3 LYS 15 3HZ LYS 15 0.331 2.500 6.371 138 H CYS 16 HN CYS 16 -4.034 -0.330 3.842 139 HA CYS 16 HA CYS 16 -5.833 -0.640 1.584 140 HB2 CYS 16 2HB CYS 16 -6.334 -1.196 4.511 141 HB3 CYS 16 1HB CYS 16 -7.521 -1.366 3.223 142 H ARG 17 HN ARG 17 -7.132 0.893 1.079 143 HA ARG 17 HA ARG 17 -7.301 3.250 2.823 144 HB2 ARG 17 2HB ARG 17 -7.301 3.135 -0.200 145 HB3 ARG 17 1HB ARG 17 -7.531 4.583 0.758 146 HG2 ARG 17 2HG ARG 17 -5.052 2.915 0.873 147 HG3 ARG 17 1HG ARG 17 -5.245 4.261 -0.259 148 HD2 ARG 17 2HD ARG 17 -4.004 5.065 1.613 149 HD3 ARG 17 1HD ARG 17 -5.625 5.727 1.757 150 HE ARG 17 HE ARG 17 -5.447 3.342 3.246 151 HH11 ARG 17 1HH1 ARG 17 -4.282 6.695 3.324 152 HH12 ARG 17 2HH1 ARG 17 -4.097 6.735 5.012 153 HH21 ARG 17 1HH2 ARG 17 -5.182 3.410 5.593 154 HH22 ARG 17 2HH2 ARG 17 -4.620 4.833 6.318 155 H GLY 18 HN GLY 18 -9.186 3.074 3.671 156 HA2 GLY 18 2HA GLY 18 -11.500 3.178 3.819 157 HA3 GLY 18 1HA GLY 18 -11.564 3.173 2.060 Start of MODEL 9 1 H1 LYS 1 HN LYS 1 -11.805 1.094 1.391 2 HA LYS 1 HA LYS 1 -11.594 -1.545 2.660 3 HB2 LYS 1 2HB LYS 1 -13.581 -2.279 1.352 4 HB3 LYS 1 1HB LYS 1 -13.934 -1.051 2.549 5 HG2 LYS 1 2HG LYS 1 -13.895 0.640 0.727 6 HG3 LYS 1 1HG LYS 1 -13.739 -0.688 -0.432 7 HD2 LYS 1 2HD LYS 1 -15.838 -1.635 0.367 8 HD3 LYS 1 1HD LYS 1 -15.981 -0.351 1.564 9 HE2 LYS 1 2HE LYS 1 -17.401 0.160 -0.315 10 HE3 LYS 1 1HE LYS 1 -16.056 1.295 -0.282 11 HZ1 LYS 1 1HZ LYS 1 -16.205 -1.113 -2.005 12 HZ2 LYS 1 2HZ LYS 1 -14.982 0.036 -2.036 13 HZ3 LYS 1 3HZ LYS 1 -16.538 0.448 -2.508 14 H TRP 2 HN TRP 2 -10.223 0.306 0.404 15 HA TRP 2 HA TRP 2 -9.884 -1.916 -1.481 16 HB2 TRP 2 2HB TRP 2 -10.601 0.439 -2.279 17 HB3 TRP 2 1HB TRP 2 -8.958 0.915 -1.893 18 HD1 TRP 2 1HD TRP 2 -7.097 -1.083 -3.133 19 HE1 TRP 2 1HE TRP 2 -7.073 -1.659 -5.634 20 HE3 TRP 2 3HE TRP 2 -11.767 0.484 -4.363 21 HZ2 TRP 2 2HZ TRP 2 -8.802 -1.456 -7.851 22 HZ3 TRP 2 3HZ TRP 2 -12.519 0.270 -6.706 23 HH2 TRP 2 2HH TRP 2 -11.050 -0.682 -8.409 24 H CYS 3 HN CYS 3 -8.079 -3.046 -1.193 25 HA CYS 3 HA CYS 3 -5.799 -1.707 0.052 26 HB2 CYS 3 2HB CYS 3 -6.445 -4.650 -0.080 27 HB3 CYS 3 1HB CYS 3 -5.027 -3.947 0.681 28 H PHE 4 HN PHE 4 -4.069 -1.439 -1.096 29 HA PHE 4 HA PHE 4 -3.650 -3.063 -3.458 30 HB2 PHE 4 2HB PHE 4 -2.952 -0.982 -4.715 31 HB3 PHE 4 1HB PHE 4 -4.669 -1.109 -4.395 32 HD1 PHE 4 1HD PHE 4 -1.639 0.806 -3.809 33 HD2 PHE 4 2HD PHE 4 -5.726 0.370 -2.709 34 HE1 PHE 4 1HE PHE 4 -1.631 3.072 -2.845 35 HE2 PHE 4 2HE PHE 4 -5.717 2.620 -1.746 36 HZ PHE 4 HZ PHE 4 -3.673 3.980 -1.814 37 H ARG 5 HN ARG 5 -1.398 -2.858 -4.250 38 HA ARG 5 HA ARG 5 0.327 -3.064 -1.933 39 HB2 ARG 5 2HB ARG 5 0.337 -4.815 -3.649 40 HB3 ARG 5 1HB ARG 5 0.853 -3.635 -4.842 41 HG2 ARG 5 2HG ARG 5 2.900 -3.251 -3.457 42 HG3 ARG 5 1HG ARG 5 2.399 -4.618 -2.460 43 HD2 ARG 5 2HD ARG 5 2.925 -4.679 -5.417 44 HD3 ARG 5 1HD ARG 5 4.014 -5.283 -4.172 45 HE ARG 5 HE ARG 5 1.737 -6.636 -3.710 46 HH11 ARG 5 1HH1 ARG 5 3.577 -6.089 -6.698 47 HH12 ARG 5 2HH1 ARG 5 3.252 -7.624 -7.350 48 HH21 ARG 5 1HH2 ARG 5 1.274 -8.789 -4.641 49 HH22 ARG 5 2HH2 ARG 5 1.917 -9.162 -6.162 50 H VAL 6 HN VAL 6 1.569 -1.458 -1.298 51 HA VAL 6 HA VAL 6 2.459 0.537 -3.272 52 HB VAL 6 HB VAL 6 2.077 0.908 -0.276 53 HG11 VAL 6 1HG1 VAL 6 3.948 2.238 -1.127 54 HG12 VAL 6 2HG1 VAL 6 2.589 3.273 -0.688 55 HG13 VAL 6 3HG1 VAL 6 2.907 2.911 -2.383 56 HG21 VAL 6 1HG2 VAL 6 -0.023 0.808 -1.497 57 HG22 VAL 6 2HG2 VAL 6 0.534 2.088 -2.579 58 HG23 VAL 6 3HG2 VAL 6 0.280 2.417 -0.862 59 H CYS 7 HN CYS 7 4.584 0.626 -3.575 60 HA CYS 7 HA CYS 7 6.293 -0.786 -1.670 61 HB2 CYS 7 2HB CYS 7 6.723 -0.226 -4.606 62 HB3 CYS 7 1HB CYS 7 7.883 -1.016 -3.543 63 H TYR 8 HN TYR 8 7.469 0.357 -0.476 64 HA TYR 8 HA TYR 8 8.395 2.994 -1.347 65 HB2 TYR 8 2HB TYR 8 6.449 3.269 0.107 66 HB3 TYR 8 1HB TYR 8 7.174 2.213 1.304 67 HD1 TYR 8 1HD TYR 8 7.475 5.523 -0.333 68 HD2 TYR 8 2HD TYR 8 8.666 3.065 2.919 69 HE1 TYR 8 1HE TYR 8 8.409 7.480 0.799 70 HE2 TYR 8 2HE TYR 8 9.604 5.002 4.056 71 HH TYR 8 HH TYR 8 9.003 8.216 3.056 72 H ARG 9 HN ARG 9 10.494 2.688 -1.539 73 HA ARG 9 HA ARG 9 12.684 2.322 -1.048 74 HB2 ARG 9 2HB ARG 9 11.709 2.099 1.813 75 HB3 ARG 9 1HB ARG 9 13.381 2.321 1.322 76 HG2 ARG 9 2HG ARG 9 12.703 4.486 0.270 77 HG3 ARG 9 1HG ARG 9 11.104 4.225 0.929 78 HD2 ARG 9 2HD ARG 9 11.944 4.275 3.183 79 HD3 ARG 9 1HD ARG 9 13.604 4.406 2.594 80 HE ARG 9 HE ARG 9 12.137 6.461 1.469 81 HH11 ARG 9 1HH1 ARG 9 13.083 5.546 4.769 82 HH12 ARG 9 2HH1 ARG 9 13.238 7.160 5.305 83 HH21 ARG 9 1HH2 ARG 9 12.348 8.704 2.286 84 HH22 ARG 9 2HH2 ARG 9 12.826 8.931 3.905 85 H GLY 10 HN GLY 10 10.927 0.105 -1.664 86 HA2 GLY 10 2HA GLY 10 11.658 -2.112 -2.165 87 HA3 GLY 10 1HA GLY 10 12.667 -2.065 -0.721 88 H ILE 11 HN ILE 11 10.281 -0.776 0.610 89 HA ILE 11 HA ILE 11 9.207 -3.199 1.725 90 HB ILE 11 HB ILE 11 8.589 -0.294 2.311 91 HG12 ILE 11 2HG1 ILE 11 10.417 -2.131 3.861 92 HG13 ILE 11 1HG1 ILE 11 10.987 -0.987 2.649 93 HG21 ILE 11 1HG2 ILE 11 6.824 -1.789 3.081 94 HG22 ILE 11 2HG2 ILE 11 7.703 -1.110 4.449 95 HG23 ILE 11 3HG2 ILE 11 8.008 -2.769 3.944 96 HD11 ILE 11 1HD1 ILE 11 10.087 0.844 3.942 97 HD12 ILE 11 2HD1 ILE 11 11.221 -0.108 4.911 98 HD13 ILE 11 3HD1 ILE 11 9.477 -0.284 5.150 99 H CYS 12 HN CYS 12 7.742 -4.083 0.375 100 HA CYS 12 HA CYS 12 5.649 -2.349 -0.706 101 HB2 CYS 12 2HB CYS 12 6.229 -5.257 -1.299 102 HB3 CYS 12 1HB CYS 12 4.967 -4.265 -2.035 103 H TYR 13 HN TYR 13 3.913 -2.123 0.450 104 HA TYR 13 HA TYR 13 3.218 -4.308 2.257 105 HB2 TYR 13 2HB TYR 13 2.400 -2.620 3.874 106 HB3 TYR 13 1HB TYR 13 4.131 -2.530 3.607 107 HD1 TYR 13 1HD TYR 13 5.120 -0.547 2.571 108 HD2 TYR 13 2HD TYR 13 0.893 -0.799 3.119 109 HE1 TYR 13 1HE TYR 13 4.922 1.861 2.192 110 HE2 TYR 13 2HE TYR 13 0.700 1.595 2.741 111 HH TYR 13 HH TYR 13 3.157 3.496 1.449 112 H ARG 14 HN ARG 14 0.920 -4.064 3.026 113 HA ARG 14 HA ARG 14 -0.741 -3.732 0.678 114 HB2 ARG 14 2HB ARG 14 -0.955 -5.831 1.887 115 HB3 ARG 14 1HB ARG 14 -1.230 -4.967 3.389 116 HG2 ARG 14 2HG ARG 14 -3.343 -4.107 2.503 117 HG3 ARG 14 1HG ARG 14 -3.066 -5.003 1.007 118 HD2 ARG 14 2HD ARG 14 -3.116 -7.087 2.185 119 HD3 ARG 14 1HD ARG 14 -3.214 -6.251 3.736 120 HE ARG 14 HE ARG 14 -5.378 -5.327 2.705 121 HH11 ARG 14 1HH1 ARG 14 -4.197 -8.665 2.452 122 HH12 ARG 14 2HH1 ARG 14 -5.728 -9.356 2.209 123 HH21 ARG 14 1HH2 ARG 14 -7.536 -6.307 2.382 124 HH22 ARG 14 2HH2 ARG 14 -7.641 -7.986 2.171 125 H LYS 15 HN LYS 15 -1.128 -1.635 0.492 126 HA LYS 15 HA LYS 15 -1.823 -0.033 2.793 127 HB2 LYS 15 2HB LYS 15 -0.482 0.995 1.103 128 HB3 LYS 15 1HB LYS 15 -1.649 0.574 -0.139 129 HG2 LYS 15 2HG LYS 15 -1.750 2.960 0.424 130 HG3 LYS 15 1HG LYS 15 -3.255 2.142 0.836 131 HD2 LYS 15 2HD LYS 15 -2.575 2.006 3.149 132 HD3 LYS 15 1HD LYS 15 -1.031 2.772 2.765 133 HE2 LYS 15 2HE LYS 15 -3.749 4.014 2.400 134 HE3 LYS 15 1HE LYS 15 -2.678 4.321 3.768 135 HZ1 LYS 15 1HZ LYS 15 -2.483 6.062 2.148 136 HZ2 LYS 15 2HZ LYS 15 -2.117 4.969 0.919 137 HZ3 LYS 15 3HZ LYS 15 -1.045 5.188 2.194 138 H CYS 16 HN CYS 16 -3.729 0.064 3.488 139 HA CYS 16 HA CYS 16 -5.954 -0.635 1.710 140 HB2 CYS 16 2HB CYS 16 -5.722 -1.037 4.692 141 HB3 CYS 16 1HB CYS 16 -7.203 -1.290 3.775 142 H ARG 17 HN ARG 17 -6.966 1.050 1.033 143 HA ARG 17 HA ARG 17 -7.291 3.290 2.876 144 HB2 ARG 17 2HB ARG 17 -6.099 3.725 0.665 145 HB3 ARG 17 1HB ARG 17 -7.584 3.291 -0.153 146 HG2 ARG 17 2HG ARG 17 -7.493 5.546 1.837 147 HG3 ARG 17 1HG ARG 17 -7.032 5.784 0.160 148 HD2 ARG 17 2HD ARG 17 -9.709 4.728 1.069 149 HD3 ARG 17 1HD ARG 17 -9.387 6.414 0.671 150 HE ARG 17 HE ARG 17 -8.578 4.828 -1.470 151 HH11 ARG 17 1HH1 ARG 17 -11.584 5.801 0.118 152 HH12 ARG 17 2HH1 ARG 17 -12.542 5.692 -1.290 153 HH21 ARG 17 1HH2 ARG 17 -9.902 4.679 -3.427 154 HH22 ARG 17 2HH2 ARG 17 -11.560 5.051 -3.352 155 H GLY 18 HN GLY 18 -9.032 2.853 3.940 156 HA2 GLY 18 2HA GLY 18 -11.260 2.595 4.397 157 HA3 GLY 18 1HA GLY 18 -11.590 2.825 2.686 Start of MODEL 10 1 H1 LYS 1 HN LYS 1 -11.549 1.898 0.561 2 HA LYS 1 HA LYS 1 -11.948 -0.548 2.151 3 HB2 LYS 1 2HB LYS 1 -13.670 0.395 -0.150 4 HB3 LYS 1 1HB LYS 1 -13.874 -1.095 0.751 5 HG2 LYS 1 2HG LYS 1 -14.274 0.271 2.784 6 HG3 LYS 1 1HG LYS 1 -14.224 1.701 1.773 7 HD2 LYS 1 2HD LYS 1 -16.075 0.841 0.410 8 HD3 LYS 1 1HD LYS 1 -16.164 -0.585 1.440 9 HE2 LYS 1 2HE LYS 1 -16.562 2.251 2.365 10 HE3 LYS 1 1HE LYS 1 -17.865 1.125 2.001 11 HZ1 LYS 1 1HZ LYS 1 -15.824 0.753 4.155 12 HZ2 LYS 1 2HZ LYS 1 -17.090 -0.296 3.798 13 HZ3 LYS 1 3HZ LYS 1 -17.416 1.233 4.359 14 H TRP 2 HN TRP 2 -9.870 0.668 0.213 15 HA TRP 2 HA TRP 2 -9.845 -1.510 -1.768 16 HB2 TRP 2 2HB TRP 2 -10.066 0.921 -2.538 17 HB3 TRP 2 1HB TRP 2 -8.440 1.154 -1.929 18 HD1 TRP 2 1HD TRP 2 -6.670 -0.915 -3.161 19 HE1 TRP 2 1HE TRP 2 -6.453 -1.293 -5.699 20 HE3 TRP 2 3HE TRP 2 -11.087 1.161 -4.662 21 HZ2 TRP 2 2HZ TRP 2 -7.957 -0.769 -8.029 22 HZ3 TRP 2 3HZ TRP 2 -11.620 1.186 -7.064 23 HH2 TRP 2 2HH TRP 2 -10.086 0.242 -8.706 24 H CYS 3 HN CYS 3 -8.230 -2.933 -1.453 25 HA CYS 3 HA CYS 3 -5.917 -2.131 0.169 26 HB2 CYS 3 2HB CYS 3 -7.028 -4.866 -0.460 27 HB3 CYS 3 1HB CYS 3 -5.550 -4.576 0.453 28 H PHE 4 HN PHE 4 -4.058 -1.864 -0.812 29 HA PHE 4 HA PHE 4 -3.531 -3.336 -3.228 30 HB2 PHE 4 2HB PHE 4 -2.789 -1.312 -4.441 31 HB3 PHE 4 1HB PHE 4 -4.508 -1.293 -4.104 32 HD1 PHE 4 1HD PHE 4 -1.383 0.437 -3.775 33 HD2 PHE 4 2HD PHE 4 -5.333 0.202 -2.198 34 HE1 PHE 4 1HE PHE 4 -1.155 2.701 -2.846 35 HE2 PHE 4 2HE PHE 4 -5.101 2.454 -1.273 36 HZ PHE 4 HZ PHE 4 -3.016 3.713 -1.599 37 H ARG 5 HN ARG 5 -1.222 -2.824 -3.924 38 HA ARG 5 HA ARG 5 0.381 -3.230 -1.555 39 HB2 ARG 5 2HB ARG 5 0.546 -4.652 -3.637 40 HB3 ARG 5 1HB ARG 5 1.260 -3.261 -4.428 41 HG2 ARG 5 2HG ARG 5 3.076 -3.243 -2.791 42 HG3 ARG 5 1HG ARG 5 2.376 -4.660 -2.007 43 HD2 ARG 5 2HD ARG 5 4.116 -5.426 -3.446 44 HD3 ARG 5 1HD ARG 5 2.572 -5.853 -4.182 45 HE ARG 5 HE ARG 5 3.803 -3.366 -5.018 46 HH11 ARG 5 1HH1 ARG 5 2.901 -6.686 -5.861 47 HH12 ARG 5 2HH1 ARG 5 3.528 -6.605 -7.437 48 HH21 ARG 5 1HH2 ARG 5 4.639 -3.235 -7.194 49 HH22 ARG 5 2HH2 ARG 5 4.547 -4.582 -8.222 50 H VAL 6 HN VAL 6 1.537 -1.701 -0.702 51 HA VAL 6 HA VAL 6 2.115 0.677 -2.308 52 HB VAL 6 HB VAL 6 2.005 0.424 0.724 53 HG11 VAL 6 1HG1 VAL 6 2.488 2.851 -1.014 54 HG12 VAL 6 2HG1 VAL 6 3.687 2.051 0.003 55 HG13 VAL 6 3HG1 VAL 6 2.306 2.864 0.742 56 HG21 VAL 6 1HG2 VAL 6 0.057 1.887 0.578 57 HG22 VAL 6 2HG2 VAL 6 -0.206 0.384 -0.317 58 HG23 VAL 6 3HG2 VAL 6 0.175 1.870 -1.181 59 H CYS 7 HN CYS 7 4.122 0.790 -2.943 60 HA CYS 7 HA CYS 7 6.123 -0.619 -1.366 61 HB2 CYS 7 2HB CYS 7 6.109 0.087 -4.307 62 HB3 CYS 7 1HB CYS 7 7.514 -0.547 -3.454 63 H TYR 8 HN TYR 8 7.326 0.538 -0.258 64 HA TYR 8 HA TYR 8 7.912 3.284 -1.085 65 HB2 TYR 8 2HB TYR 8 6.321 3.287 0.768 66 HB3 TYR 8 1HB TYR 8 7.368 2.215 1.689 67 HD1 TYR 8 1HD TYR 8 7.084 5.639 0.260 68 HD2 TYR 8 2HD TYR 8 9.136 3.126 3.004 69 HE1 TYR 8 1HE TYR 8 8.194 7.603 1.223 70 HE2 TYR 8 2HE TYR 8 10.240 5.069 3.976 71 HH TYR 8 HH TYR 8 9.269 8.153 3.527 72 H ARG 9 HN ARG 9 9.889 3.091 -1.817 73 HA ARG 9 HA ARG 9 12.149 2.887 -1.878 74 HB2 ARG 9 2HB ARG 9 11.946 2.359 1.087 75 HB3 ARG 9 1HB ARG 9 13.409 2.785 0.218 76 HG2 ARG 9 2HG ARG 9 12.331 4.981 -0.352 77 HG3 ARG 9 1HG ARG 9 10.989 4.509 0.681 78 HD2 ARG 9 2HD ARG 9 12.489 4.271 2.570 79 HD3 ARG 9 1HD ARG 9 13.847 4.714 1.534 80 HE ARG 9 HE ARG 9 11.624 6.554 2.004 81 HH11 ARG 9 1HH1 ARG 9 15.084 5.827 2.149 82 HH12 ARG 9 2HH1 ARG 9 15.539 7.375 2.663 83 HH21 ARG 9 1HH2 ARG 9 12.240 8.668 2.731 84 HH22 ARG 9 2HH2 ARG 9 13.871 9.034 3.010 85 H GLY 10 HN GLY 10 10.353 0.538 -2.113 86 HA2 GLY 10 2HA GLY 10 11.066 -1.639 -2.857 87 HA3 GLY 10 1HA GLY 10 12.405 -1.499 -1.714 88 H ILE 11 HN ILE 11 10.202 -0.400 0.154 89 HA ILE 11 HA ILE 11 9.642 -2.954 1.387 90 HB ILE 11 HB ILE 11 8.925 -0.131 2.258 91 HG12 ILE 11 2HG1 ILE 11 11.178 -1.880 3.254 92 HG13 ILE 11 1HG1 ILE 11 11.384 -0.621 2.042 93 HG21 ILE 11 1HG2 ILE 11 8.891 -2.724 3.817 94 HG22 ILE 11 2HG2 ILE 11 7.481 -1.805 3.299 95 HG23 ILE 11 3HG2 ILE 11 8.591 -1.123 4.489 96 HD11 ILE 11 1HD1 ILE 11 10.451 -0.222 4.884 97 HD12 ILE 11 2HD1 ILE 11 10.652 1.046 3.675 98 HD13 ILE 11 3HD1 ILE 11 12.057 0.149 4.252 99 H CYS 12 HN CYS 12 7.969 -3.985 0.506 100 HA CYS 12 HA CYS 12 5.691 -2.389 -0.404 101 HB2 CYS 12 2HB CYS 12 6.557 -5.133 -1.316 102 HB3 CYS 12 1HB CYS 12 5.157 -4.232 -1.898 103 H TYR 13 HN TYR 13 3.944 -2.525 0.790 104 HA TYR 13 HA TYR 13 3.362 -5.045 2.128 105 HB2 TYR 13 2HB TYR 13 2.568 -3.770 4.125 106 HB3 TYR 13 1HB TYR 13 4.299 -3.643 3.862 107 HD1 TYR 13 1HD TYR 13 1.238 -1.864 4.354 108 HD2 TYR 13 2HD TYR 13 5.167 -1.469 2.759 109 HE1 TYR 13 1HE TYR 13 1.048 0.558 4.494 110 HE2 TYR 13 2HE TYR 13 4.981 0.966 2.888 111 HH TYR 13 HH TYR 13 3.219 2.692 2.973 112 H ARG 14 HN ARG 14 1.030 -5.207 2.759 113 HA ARG 14 HA ARG 14 -0.514 -4.193 0.513 114 HB2 ARG 14 2HB ARG 14 -0.449 -6.660 1.264 115 HB3 ARG 14 1HB ARG 14 -1.447 -6.156 2.617 116 HG2 ARG 14 2HG ARG 14 -2.875 -7.076 0.941 117 HG3 ARG 14 1HG ARG 14 -3.125 -5.328 0.942 118 HD2 ARG 14 2HD ARG 14 -1.633 -5.095 -0.977 119 HD3 ARG 14 1HD ARG 14 -1.314 -6.826 -0.944 120 HE ARG 14 HE ARG 14 -4.037 -6.568 -1.209 121 HH11 ARG 14 1HH1 ARG 14 -1.163 -5.813 -3.094 122 HH12 ARG 14 2HH1 ARG 14 -1.986 -5.666 -4.573 123 HH21 ARG 14 1HH2 ARG 14 -5.155 -6.488 -3.208 124 HH22 ARG 14 2HH2 ARG 14 -4.339 -6.116 -4.664 125 H LYS 15 HN LYS 15 -1.062 -2.145 1.012 126 HA LYS 15 HA LYS 15 -2.127 -1.613 3.670 127 HB2 LYS 15 2HB LYS 15 -0.258 -0.189 2.900 128 HB3 LYS 15 1HB LYS 15 -1.231 0.336 1.543 129 HG2 LYS 15 2HG LYS 15 -2.813 1.401 3.049 130 HG3 LYS 15 1HG LYS 15 -1.905 0.810 4.438 131 HD2 LYS 15 2HD LYS 15 0.039 2.147 3.718 132 HD3 LYS 15 1HD LYS 15 -0.885 2.740 2.344 133 HE2 LYS 15 2HE LYS 15 -2.521 3.733 3.885 134 HE3 LYS 15 1HE LYS 15 -1.578 3.133 5.246 135 HZ1 LYS 15 1HZ LYS 15 0.250 4.547 4.556 136 HZ2 LYS 15 2HZ LYS 15 -1.139 5.469 4.795 137 HZ3 LYS 15 3HZ LYS 15 -0.632 5.097 3.234 138 H CYS 16 HN CYS 16 -4.158 -0.989 3.962 139 HA CYS 16 HA CYS 16 -5.869 -0.894 1.599 140 HB2 CYS 16 2HB CYS 16 -6.597 -1.535 4.461 141 HB3 CYS 16 1HB CYS 16 -7.665 -1.606 3.059 142 H ARG 17 HN ARG 17 -6.728 0.907 1.082 143 HA ARG 17 HA ARG 17 -6.802 3.071 3.059 144 HB2 ARG 17 2HB ARG 17 -5.174 3.204 1.013 145 HB3 ARG 17 1HB ARG 17 -6.631 3.427 0.062 146 HG2 ARG 17 2HG ARG 17 -5.753 5.238 2.313 147 HG3 ARG 17 1HG ARG 17 -5.437 5.527 0.612 148 HD2 ARG 17 2HD ARG 17 -8.172 5.295 1.852 149 HD3 ARG 17 1HD ARG 17 -7.351 6.816 1.508 150 HE ARG 17 HE ARG 17 -7.607 5.126 -0.793 151 HH11 ARG 17 1HH1 ARG 17 -9.398 7.408 1.233 152 HH12 ARG 17 2HH1 ARG 17 -10.381 7.993 -0.012 153 HH21 ARG 17 1HH2 ARG 17 -8.962 5.920 -2.533 154 HH22 ARG 17 2HH2 ARG 17 -10.090 7.169 -2.225 155 H GLY 18 HN GLY 18 -8.871 3.482 3.562 156 HA2 GLY 18 2HA GLY 18 -11.140 3.767 3.354 157 HA3 GLY 18 1HA GLY 18 -10.940 3.698 1.607 Start of MODEL 11 1 H1 LYS 1 HN LYS 1 -12.425 0.528 1.551 2 HA LYS 1 HA LYS 1 -11.493 -2.022 2.639 3 HB2 LYS 1 2HB LYS 1 -13.285 -3.003 1.176 4 HB3 LYS 1 1HB LYS 1 -13.877 -1.931 2.436 5 HG2 LYS 1 2HG LYS 1 -14.159 -0.146 0.824 6 HG3 LYS 1 1HG LYS 1 -13.479 -1.161 -0.447 7 HD2 LYS 1 2HD LYS 1 -15.327 -2.679 -0.297 8 HD3 LYS 1 1HD LYS 1 -15.964 -1.839 1.118 9 HE2 LYS 1 2HE LYS 1 -15.661 -0.614 -1.623 10 HE3 LYS 1 1HE LYS 1 -17.162 -1.275 -0.986 11 HZ1 LYS 1 1HZ LYS 1 -17.061 1.133 -0.695 12 HZ2 LYS 1 2HZ LYS 1 -15.658 1.014 0.197 13 HZ3 LYS 1 3HZ LYS 1 -17.085 0.354 0.788 14 H TRP 2 HN TRP 2 -10.712 0.142 0.264 15 HA TRP 2 HA TRP 2 -9.995 -1.740 -1.817 16 HB2 TRP 2 2HB TRP 2 -10.775 0.597 -2.313 17 HB3 TRP 2 1HB TRP 2 -9.344 1.210 -1.508 18 HD1 TRP 2 1HD TRP 2 -6.989 -0.230 -2.845 19 HE1 TRP 2 1HE TRP 2 -6.505 -0.006 -5.375 20 HE3 TRP 2 3HE TRP 2 -11.619 1.187 -4.465 21 HZ2 TRP 2 2HZ TRP 2 -7.878 0.671 -7.705 22 HZ3 TRP 2 3HZ TRP 2 -11.945 1.608 -6.864 23 HH2 TRP 2 2HH TRP 2 -10.111 1.355 -8.449 24 H CYS 3 HN CYS 3 -8.230 -2.944 -1.457 25 HA CYS 3 HA CYS 3 -6.047 -1.685 0.018 26 HB2 CYS 3 2HB CYS 3 -6.719 -4.588 -0.303 27 HB3 CYS 3 1HB CYS 3 -5.273 -3.995 0.519 28 H PHE 4 HN PHE 4 -4.065 -1.613 -0.792 29 HA PHE 4 HA PHE 4 -3.540 -2.770 -3.369 30 HB2 PHE 4 2HB PHE 4 -2.865 -0.541 -4.288 31 HB3 PHE 4 1HB PHE 4 -4.591 -0.674 -4.000 32 HD1 PHE 4 1HD PHE 4 -1.724 1.323 -3.531 33 HD2 PHE 4 2HD PHE 4 -5.418 0.305 -1.701 34 HE1 PHE 4 1HE PHE 4 -1.651 3.392 -2.219 35 HE2 PHE 4 2HE PHE 4 -5.350 2.355 -0.389 36 HZ PHE 4 HZ PHE 4 -3.466 3.915 -0.641 37 H ARG 5 HN ARG 5 -1.279 -2.526 -3.900 38 HA ARG 5 HA ARG 5 0.279 -2.683 -1.462 39 HB2 ARG 5 2HB ARG 5 0.314 -4.594 -2.968 40 HB3 ARG 5 1HB ARG 5 0.858 -3.566 -4.279 41 HG2 ARG 5 2HG ARG 5 2.931 -3.127 -3.061 42 HG3 ARG 5 1HG ARG 5 2.384 -4.198 -1.767 43 HD2 ARG 5 2HD ARG 5 3.896 -5.370 -3.280 44 HD3 ARG 5 1HD ARG 5 2.273 -6.053 -3.353 45 HE ARG 5 HE ARG 5 2.298 -4.229 -5.351 46 HH11 ARG 5 1HH1 ARG 5 4.363 -6.977 -4.550 47 HH12 ARG 5 2HH1 ARG 5 4.767 -7.328 -6.163 48 HH21 ARG 5 1HH2 ARG 5 2.832 -4.693 -7.572 49 HH22 ARG 5 2HH2 ARG 5 3.881 -5.972 -7.927 50 H VAL 6 HN VAL 6 1.594 -1.148 -0.938 51 HA VAL 6 HA VAL 6 2.397 0.867 -2.941 52 HB VAL 6 HB VAL 6 2.344 1.138 0.084 53 HG11 VAL 6 1HG1 VAL 6 2.803 3.231 -2.043 54 HG12 VAL 6 2HG1 VAL 6 4.036 2.527 -0.999 55 HG13 VAL 6 3HG1 VAL 6 2.751 3.510 -0.299 56 HG21 VAL 6 1HG2 VAL 6 0.438 2.642 -0.230 57 HG22 VAL 6 2HG2 VAL 6 0.080 1.008 -0.780 58 HG23 VAL 6 3HG2 VAL 6 0.439 2.275 -1.955 59 H CYS 7 HN CYS 7 4.554 1.003 -3.331 60 HA CYS 7 HA CYS 7 6.274 -0.592 -1.599 61 HB2 CYS 7 2HB CYS 7 6.642 0.143 -4.514 62 HB3 CYS 7 1HB CYS 7 7.800 -0.746 -3.532 63 H TYR 8 HN TYR 8 7.754 0.330 -0.493 64 HA TYR 8 HA TYR 8 8.739 2.971 -1.239 65 HB2 TYR 8 2HB TYR 8 6.932 3.284 0.412 66 HB3 TYR 8 1HB TYR 8 7.724 2.153 1.491 67 HD1 TYR 8 1HD TYR 8 8.206 5.440 -0.196 68 HD2 TYR 8 2HD TYR 8 9.263 2.927 3.063 69 HE1 TYR 8 1HE TYR 8 9.403 7.305 0.835 70 HE2 TYR 8 2HE TYR 8 10.465 4.774 4.111 71 HH TYR 8 HH TYR 8 10.111 7.971 3.117 72 H ARG 9 HN ARG 9 10.776 2.447 -1.668 73 HA ARG 9 HA ARG 9 12.952 1.949 -1.381 74 HB2 ARG 9 2HB ARG 9 12.289 1.537 1.539 75 HB3 ARG 9 1HB ARG 9 13.904 1.711 0.878 76 HG2 ARG 9 2HG ARG 9 13.222 4.004 0.119 77 HG3 ARG 9 1HG ARG 9 11.733 3.771 1.029 78 HD2 ARG 9 2HD ARG 9 13.159 3.264 3.034 79 HD3 ARG 9 1HD ARG 9 14.540 3.823 2.089 80 HE ARG 9 HE ARG 9 12.246 5.579 2.353 81 HH11 ARG 9 1HH1 ARG 9 15.658 4.989 3.147 82 HH12 ARG 9 2HH1 ARG 9 15.845 6.464 3.945 83 HH21 ARG 9 1HH2 ARG 9 12.510 7.535 3.478 84 HH22 ARG 9 2HH2 ARG 9 14.023 7.967 4.144 85 H GLY 10 HN GLY 10 10.918 -0.108 -1.852 86 HA2 GLY 10 2HA GLY 10 11.406 -2.357 -2.534 87 HA3 GLY 10 1HA GLY 10 12.609 -2.431 -1.250 88 H ILE 11 HN ILE 11 10.365 -0.994 0.348 89 HA ILE 11 HA ILE 11 9.287 -3.436 1.471 90 HB ILE 11 HB ILE 11 8.829 -0.559 2.318 91 HG12 ILE 11 2HG1 ILE 11 10.835 -2.482 3.497 92 HG13 ILE 11 1HG1 ILE 11 11.254 -1.271 2.288 93 HG21 ILE 11 1HG2 ILE 11 7.191 -2.145 3.203 94 HG22 ILE 11 2HG2 ILE 11 8.238 -1.556 4.494 95 HG23 ILE 11 3HG2 ILE 11 8.491 -3.165 3.817 96 HD11 ILE 11 1HD1 ILE 11 10.115 -0.727 5.023 97 HD12 ILE 11 2HD1 ILE 11 10.543 0.490 3.820 98 HD13 ILE 11 3HD1 ILE 11 11.799 -0.519 4.537 99 H CYS 12 HN CYS 12 7.729 -4.107 0.067 100 HA CYS 12 HA CYS 12 5.671 -2.195 -0.714 101 HB2 CYS 12 2HB CYS 12 6.036 -5.079 -1.540 102 HB3 CYS 12 1HB CYS 12 4.828 -3.954 -2.150 103 H TYR 13 HN TYR 13 3.957 -1.970 0.512 104 HA TYR 13 HA TYR 13 3.262 -4.227 2.196 105 HB2 TYR 13 2HB TYR 13 2.591 -2.582 3.948 106 HB3 TYR 13 1HB TYR 13 4.317 -2.643 3.639 107 HD1 TYR 13 1HD TYR 13 5.470 -0.727 2.649 108 HD2 TYR 13 2HD TYR 13 1.279 -0.596 3.389 109 HE1 TYR 13 1HE TYR 13 5.510 1.704 2.399 110 HE2 TYR 13 2HE TYR 13 1.309 1.842 3.134 111 HH TYR 13 HH TYR 13 3.937 3.543 1.843 112 H ARG 14 HN ARG 14 1.073 -4.136 2.955 113 HA ARG 14 HA ARG 14 -0.654 -3.496 0.730 114 HB2 ARG 14 2HB ARG 14 -0.667 -5.743 1.669 115 HB3 ARG 14 1HB ARG 14 -1.072 -5.097 3.248 116 HG2 ARG 14 2HG ARG 14 -3.211 -4.318 2.343 117 HG3 ARG 14 1HG ARG 14 -2.785 -5.042 0.785 118 HD2 ARG 14 2HD ARG 14 -2.562 -7.220 1.864 119 HD3 ARG 14 1HD ARG 14 -3.000 -6.497 3.410 120 HE ARG 14 HE ARG 14 -4.807 -6.451 1.116 121 HH11 ARG 14 1HH1 ARG 14 -4.152 -7.343 4.512 122 HH12 ARG 14 2HH1 ARG 14 -5.739 -7.813 4.843 123 HH21 ARG 14 1HH2 ARG 14 -7.030 -7.150 1.613 124 HH22 ARG 14 2HH2 ARG 14 -7.404 -7.726 3.172 125 H LYS 15 HN LYS 15 -1.096 -1.430 0.878 126 HA LYS 15 HA LYS 15 -2.003 -0.301 3.416 127 HB2 LYS 15 2HB LYS 15 -0.348 0.946 1.996 128 HB3 LYS 15 1HB LYS 15 -1.573 1.055 0.746 129 HG2 LYS 15 2HG LYS 15 -2.987 2.375 2.211 130 HG3 LYS 15 1HG LYS 15 -1.801 2.234 3.506 131 HD2 LYS 15 2HD LYS 15 -0.149 3.398 2.075 132 HD3 LYS 15 1HD LYS 15 -1.397 3.590 0.839 133 HE2 LYS 15 2HE LYS 15 -2.763 4.845 2.433 134 HE3 LYS 15 1HE LYS 15 -1.499 4.669 3.646 135 HZ1 LYS 15 1HZ LYS 15 -1.248 6.133 1.070 136 HZ2 LYS 15 2HZ LYS 15 -0.015 5.955 2.205 137 HZ3 LYS 15 3HZ LYS 15 -1.400 6.815 2.601 138 H CYS 16 HN CYS 16 -4.114 0.299 3.687 139 HA CYS 16 HA CYS 16 -5.888 -0.352 1.469 140 HB2 CYS 16 2HB CYS 16 -6.387 -0.837 4.412 141 HB3 CYS 16 1HB CYS 16 -7.576 -1.077 3.139 142 H ARG 17 HN ARG 17 -7.262 1.069 0.874 143 HA ARG 17 HA ARG 17 -7.631 3.513 2.453 144 HB2 ARG 17 2HB ARG 17 -6.589 3.753 0.178 145 HB3 ARG 17 1HB ARG 17 -8.027 3.028 -0.521 146 HG2 ARG 17 2HG ARG 17 -8.087 5.398 -0.813 147 HG3 ARG 17 1HG ARG 17 -9.328 4.937 0.352 148 HD2 ARG 17 2HD ARG 17 -7.942 5.649 2.187 149 HD3 ARG 17 1HD ARG 17 -6.592 5.957 1.094 150 HE ARG 17 HE ARG 17 -8.730 7.450 0.203 151 HH11 ARG 17 1HH1 ARG 17 -6.754 7.350 3.147 152 HH12 ARG 17 2HH1 ARG 17 -6.852 9.030 3.398 153 HH21 ARG 17 1HH2 ARG 17 -8.813 9.744 0.563 154 HH22 ARG 17 2HH2 ARG 17 -8.037 10.405 1.933 155 H GLY 18 HN GLY 18 -9.310 2.760 3.689 156 HA2 GLY 18 2HA GLY 18 -11.475 2.191 4.181 157 HA3 GLY 18 1HA GLY 18 -11.857 2.326 2.460 Start of MODEL 12 1 H1 LYS 1 HN LYS 1 -12.034 0.820 1.349 2 HA LYS 1 HA LYS 1 -11.523 -1.831 2.527 3 HB2 LYS 1 2HB LYS 1 -13.427 -2.688 1.218 4 HB3 LYS 1 1HB LYS 1 -13.920 -1.459 2.372 5 HG2 LYS 1 2HG LYS 1 -13.984 0.188 0.553 6 HG3 LYS 1 1HG LYS 1 -13.540 -1.083 -0.592 7 HD2 LYS 1 2HD LYS 1 -15.574 -2.303 -0.012 8 HD3 LYS 1 1HD LYS 1 -16.008 -1.037 1.138 9 HE2 LYS 1 2HE LYS 1 -17.241 -0.719 -0.913 10 HE3 LYS 1 1HE LYS 1 -16.079 0.588 -0.718 11 HZ1 LYS 1 1HZ LYS 1 -14.632 -0.520 -2.322 12 HZ2 LYS 1 2HZ LYS 1 -16.160 -0.237 -2.976 13 HZ3 LYS 1 3HZ LYS 1 -15.747 -1.789 -2.469 14 H TRP 2 HN TRP 2 -10.328 0.249 0.409 15 HA TRP 2 HA TRP 2 -9.888 -1.594 -1.821 16 HB2 TRP 2 2HB TRP 2 -10.504 0.844 -2.179 17 HB3 TRP 2 1HB TRP 2 -8.976 1.275 -1.439 18 HD1 TRP 2 1HD TRP 2 -7.418 -1.190 -3.201 19 HE1 TRP 2 1HE TRP 2 -6.830 -0.620 -5.630 20 HE3 TRP 2 3HE TRP 2 -10.622 2.735 -3.908 21 HZ2 TRP 2 2HZ TRP 2 -7.611 1.256 -7.597 22 HZ3 TRP 2 3HZ TRP 2 -10.628 3.863 -6.096 23 HH2 TRP 2 2HH TRP 2 -9.155 3.135 -7.895 24 H CYS 3 HN CYS 3 -8.139 -2.912 -1.599 25 HA CYS 3 HA CYS 3 -5.918 -1.913 0.026 26 HB2 CYS 3 2HB CYS 3 -6.784 -4.752 -0.520 27 HB3 CYS 3 1HB CYS 3 -5.313 -4.316 0.339 28 H PHE 4 HN PHE 4 -4.165 -1.391 -0.963 29 HA PHE 4 HA PHE 4 -3.547 -2.634 -3.530 30 HB2 PHE 4 2HB PHE 4 -2.687 -0.300 -4.203 31 HB3 PHE 4 1HB PHE 4 -4.425 -0.569 -4.219 32 HD1 PHE 4 1HD PHE 4 -5.868 0.685 -2.840 33 HD2 PHE 4 2HD PHE 4 -1.661 0.973 -2.303 34 HE1 PHE 4 1HE PHE 4 -6.199 2.601 -1.356 35 HE2 PHE 4 2HE PHE 4 -1.986 2.890 -0.806 36 HZ PHE 4 HZ PHE 4 -4.254 3.709 -0.325 37 H ARG 5 HN ARG 5 -1.290 -2.410 -4.153 38 HA ARG 5 HA ARG 5 0.424 -2.888 -1.864 39 HB2 ARG 5 2HB ARG 5 0.486 -4.483 -3.697 40 HB3 ARG 5 1HB ARG 5 0.831 -3.199 -4.836 41 HG2 ARG 5 2HG ARG 5 3.012 -2.844 -3.800 42 HG3 ARG 5 1HG ARG 5 2.668 -4.137 -2.644 43 HD2 ARG 5 2HD ARG 5 2.534 -5.758 -4.394 44 HD3 ARG 5 1HD ARG 5 2.623 -4.492 -5.620 45 HE ARG 5 HE ARG 5 4.931 -4.201 -4.251 46 HH11 ARG 5 1HH1 ARG 5 3.420 -7.040 -5.751 47 HH12 ARG 5 2HH1 ARG 5 4.872 -7.740 -6.260 48 HH21 ARG 5 1HH2 ARG 5 6.981 -5.163 -4.960 49 HH22 ARG 5 2HH2 ARG 5 6.956 -6.649 -5.786 50 H VAL 6 HN VAL 6 1.713 -1.419 -1.111 51 HA VAL 6 HA VAL 6 2.450 0.877 -2.803 52 HB VAL 6 HB VAL 6 2.397 0.785 0.230 53 HG11 VAL 6 1HG1 VAL 6 2.713 3.113 -1.662 54 HG12 VAL 6 2HG1 VAL 6 3.979 2.391 -0.672 55 HG13 VAL 6 3HG1 VAL 6 2.625 3.221 0.095 56 HG21 VAL 6 1HG2 VAL 6 0.118 0.615 -0.603 57 HG22 VAL 6 2HG2 VAL 6 0.372 2.030 -1.628 58 HG23 VAL 6 3HG2 VAL 6 0.394 2.192 0.129 59 H CYS 7 HN CYS 7 4.559 0.860 -3.314 60 HA CYS 7 HA CYS 7 6.333 -0.655 -1.557 61 HB2 CYS 7 2HB CYS 7 6.539 -0.180 -4.526 62 HB3 CYS 7 1HB CYS 7 7.802 -0.920 -3.546 63 H TYR 8 HN TYR 8 7.792 0.388 -0.550 64 HA TYR 8 HA TYR 8 8.722 2.963 -1.583 65 HB2 TYR 8 2HB TYR 8 6.966 3.322 0.095 66 HB3 TYR 8 1HB TYR 8 7.860 2.342 1.242 67 HD1 TYR 8 1HD TYR 8 7.890 5.517 -0.663 68 HD2 TYR 8 2HD TYR 8 9.609 3.347 2.560 69 HE1 TYR 8 1HE TYR 8 8.969 7.562 0.120 70 HE2 TYR 8 2HE TYR 8 10.704 5.385 3.360 71 HH TYR 8 HH TYR 8 9.837 8.458 2.269 72 H ARG 9 HN ARG 9 10.758 2.393 -2.050 73 HA ARG 9 HA ARG 9 12.963 1.849 -1.818 74 HB2 ARG 9 2HB ARG 9 12.428 1.852 1.156 75 HB3 ARG 9 1HB ARG 9 14.001 1.951 0.383 76 HG2 ARG 9 2HG ARG 9 13.268 4.145 -0.580 77 HG3 ARG 9 1HG ARG 9 11.810 3.998 0.393 78 HD2 ARG 9 2HD ARG 9 13.283 3.709 2.399 79 HD3 ARG 9 1HD ARG 9 14.639 4.162 1.368 80 HE ARG 9 HE ARG 9 12.561 6.041 1.183 81 HH11 ARG 9 1HH1 ARG 9 15.356 5.125 3.138 82 HH12 ARG 9 2HH1 ARG 9 15.357 6.525 4.082 83 HH21 ARG 9 1HH2 ARG 9 12.495 7.955 2.507 84 HH22 ARG 9 2HH2 ARG 9 13.689 8.203 3.708 85 H GLY 10 HN GLY 10 10.895 -0.216 -1.948 86 HA2 GLY 10 2HA GLY 10 11.391 -2.567 -2.272 87 HA3 GLY 10 1HA GLY 10 12.570 -2.398 -0.969 88 H ILE 11 HN ILE 11 10.373 -0.777 0.420 89 HA ILE 11 HA ILE 11 9.319 -3.051 1.850 90 HB ILE 11 HB ILE 11 8.814 -0.090 2.265 91 HG12 ILE 11 2HG1 ILE 11 10.756 -1.863 3.739 92 HG13 ILE 11 1HG1 ILE 11 11.219 -0.777 2.431 93 HG21 ILE 11 1HG2 ILE 11 7.129 -1.546 3.288 94 HG22 ILE 11 2HG2 ILE 11 8.112 -0.756 4.520 95 HG23 ILE 11 3HG2 ILE 11 8.400 -2.447 4.112 96 HD11 ILE 11 1HD1 ILE 11 9.971 0.024 5.061 97 HD12 ILE 11 2HD1 ILE 11 10.438 1.127 3.765 98 HD13 ILE 11 3HD1 ILE 11 11.670 0.199 4.620 99 H CYS 12 HN CYS 12 7.819 -3.980 0.552 100 HA CYS 12 HA CYS 12 5.711 -2.239 -0.424 101 HB2 CYS 12 2HB CYS 12 6.231 -5.155 -1.073 102 HB3 CYS 12 1HB CYS 12 4.958 -4.153 -1.760 103 H TYR 13 HN TYR 13 3.841 -2.159 0.570 104 HA TYR 13 HA TYR 13 3.081 -4.351 2.297 105 HB2 TYR 13 2HB TYR 13 2.306 -2.689 4.003 106 HB3 TYR 13 1HB TYR 13 4.050 -2.764 3.825 107 HD1 TYR 13 1HD TYR 13 5.258 -0.884 2.731 108 HD2 TYR 13 2HD TYR 13 1.084 -0.671 3.514 109 HE1 TYR 13 1HE TYR 13 5.344 1.537 2.460 110 HE2 TYR 13 2HE TYR 13 1.159 1.765 3.236 111 HH TYR 13 HH TYR 13 3.872 3.390 1.949 112 H ARG 14 HN ARG 14 0.773 -4.310 2.753 113 HA ARG 14 HA ARG 14 -0.633 -3.283 0.429 114 HB2 ARG 14 2HB ARG 14 -0.766 -5.726 1.409 115 HB3 ARG 14 1HB ARG 14 -1.897 -4.988 2.529 116 HG2 ARG 14 2HG ARG 14 -3.197 -5.874 0.784 117 HG3 ARG 14 1HG ARG 14 -3.146 -4.128 0.520 118 HD2 ARG 14 2HD ARG 14 -1.284 -4.459 -1.094 119 HD3 ARG 14 1HD ARG 14 -1.455 -6.197 -0.870 120 HE ARG 14 HE ARG 14 -3.928 -5.190 -1.623 121 HH11 ARG 14 1HH1 ARG 14 -0.771 -5.816 -3.028 122 HH12 ARG 14 2HH1 ARG 14 -1.322 -5.752 -4.640 123 HH21 ARG 14 1HH2 ARG 14 -4.679 -5.054 -3.804 124 HH22 ARG 14 2HH2 ARG 14 -3.608 -5.297 -5.096 125 H LYS 15 HN LYS 15 -1.128 -1.245 0.814 126 HA LYS 15 HA LYS 15 -2.177 -0.510 3.414 127 HB2 LYS 15 2HB LYS 15 -0.546 0.981 2.169 128 HB3 LYS 15 1HB LYS 15 -1.813 1.269 0.992 129 HG2 LYS 15 2HG LYS 15 -1.702 3.113 2.541 130 HG3 LYS 15 1HG LYS 15 -3.221 2.244 2.770 131 HD2 LYS 15 2HD LYS 15 -2.222 1.044 4.692 132 HD3 LYS 15 1HD LYS 15 -0.735 1.962 4.472 133 HE2 LYS 15 2HE LYS 15 -1.913 4.027 4.963 134 HE3 LYS 15 1HE LYS 15 -3.438 3.152 5.079 135 HZ1 LYS 15 1HZ LYS 15 -2.523 3.594 7.265 136 HZ2 LYS 15 2HZ LYS 15 -1.093 2.793 6.876 137 HZ3 LYS 15 3HZ LYS 15 -2.524 1.938 6.979 138 H CYS 16 HN CYS 16 -4.274 -0.118 3.766 139 HA CYS 16 HA CYS 16 -6.076 -0.566 1.509 140 HB2 CYS 16 2HB CYS 16 -6.480 -1.312 4.409 141 HB3 CYS 16 1HB CYS 16 -7.670 -1.515 3.132 142 H ARG 17 HN ARG 17 -6.922 1.248 0.933 143 HA ARG 17 HA ARG 17 -7.552 3.305 2.902 144 HB2 ARG 17 2HB ARG 17 -6.498 3.988 0.747 145 HB3 ARG 17 1HB ARG 17 -7.864 3.294 -0.116 146 HG2 ARG 17 2HG ARG 17 -8.089 5.693 -0.005 147 HG3 ARG 17 1HG ARG 17 -9.355 4.929 0.955 148 HD2 ARG 17 2HD ARG 17 -8.425 6.847 2.128 149 HD3 ARG 17 1HD ARG 17 -8.048 5.362 2.997 150 HE ARG 17 HE ARG 17 -6.013 6.107 1.163 151 HH11 ARG 17 1HH1 ARG 17 -7.237 6.902 4.391 152 HH12 ARG 17 2HH1 ARG 17 -5.712 7.336 5.013 153 HH21 ARG 17 1HH2 ARG 17 -3.952 6.777 1.995 154 HH22 ARG 17 2HH2 ARG 17 -3.816 7.346 3.598 155 H GLY 18 HN GLY 18 -9.371 2.827 3.942 156 HA2 GLY 18 2HA GLY 18 -11.561 2.328 4.317 157 HA3 GLY 18 1HA GLY 18 -11.836 2.534 2.586 Start of MODEL 13 1 H1 LYS 1 HN LYS 1 -11.701 1.405 1.288 2 HA LYS 1 HA LYS 1 -11.476 -1.287 2.451 3 HB2 LYS 1 2HB LYS 1 -13.335 -1.942 0.953 4 HB3 LYS 1 1HB LYS 1 -13.799 -0.698 2.107 5 HG2 LYS 1 2HG LYS 1 -13.633 0.994 0.412 6 HG3 LYS 1 1HG LYS 1 -13.053 -0.193 -0.760 7 HD2 LYS 1 2HD LYS 1 -15.179 -1.370 -0.612 8 HD3 LYS 1 1HD LYS 1 -15.744 -0.215 0.598 9 HE2 LYS 1 2HE LYS 1 -14.973 0.433 -2.246 10 HE3 LYS 1 1HE LYS 1 -16.616 0.319 -1.622 11 HZ1 LYS 1 1HZ LYS 1 -14.573 2.314 -0.770 12 HZ2 LYS 1 2HZ LYS 1 -16.073 2.149 -0.092 13 HZ3 LYS 1 3HZ LYS 1 -15.939 2.612 -1.712 14 H TRP 2 HN TRP 2 -10.203 0.786 0.192 15 HA TRP 2 HA TRP 2 -9.740 -1.170 -1.902 16 HB2 TRP 2 2HB TRP 2 -10.172 1.286 -2.372 17 HB3 TRP 2 1HB TRP 2 -8.639 1.640 -1.604 18 HD1 TRP 2 1HD TRP 2 -6.596 -0.196 -2.957 19 HE1 TRP 2 1HE TRP 2 -6.121 -0.100 -5.501 20 HE3 TRP 2 3HE TRP 2 -10.930 1.987 -4.532 21 HZ2 TRP 2 2HZ TRP 2 -7.399 0.784 -7.827 22 HZ3 TRP 2 3HZ TRP 2 -11.220 2.427 -6.932 23 HH2 TRP 2 2HH TRP 2 -9.486 1.840 -8.541 24 H CYS 3 HN CYS 3 -8.203 -2.646 -1.433 25 HA CYS 3 HA CYS 3 -5.850 -1.703 0.031 26 HB2 CYS 3 2HB CYS 3 -6.812 -4.519 -0.379 27 HB3 CYS 3 1HB CYS 3 -5.467 -4.022 0.638 28 H PHE 4 HN PHE 4 -4.032 -1.576 -0.998 29 HA PHE 4 HA PHE 4 -3.608 -3.155 -3.382 30 HB2 PHE 4 2HB PHE 4 -2.873 -1.231 -4.701 31 HB3 PHE 4 1HB PHE 4 -4.539 -1.016 -4.205 32 HD1 PHE 4 1HD PHE 4 -4.854 0.454 -2.001 33 HD2 PHE 4 2HD PHE 4 -1.400 0.509 -4.489 34 HE1 PHE 4 1HE PHE 4 -4.302 2.698 -1.173 35 HE2 PHE 4 2HE PHE 4 -0.841 2.761 -3.653 36 HZ PHE 4 HZ PHE 4 -2.286 3.852 -1.999 37 H ARG 5 HN ARG 5 -1.330 -3.040 -4.033 38 HA ARG 5 HA ARG 5 0.268 -3.206 -1.640 39 HB2 ARG 5 2HB ARG 5 0.352 -4.973 -3.404 40 HB3 ARG 5 1HB ARG 5 1.020 -3.782 -4.499 41 HG2 ARG 5 2HG ARG 5 2.989 -3.542 -3.130 42 HG3 ARG 5 1HG ARG 5 2.316 -4.647 -1.927 43 HD2 ARG 5 2HD ARG 5 2.933 -5.341 -4.790 44 HD3 ARG 5 1HD ARG 5 3.945 -5.751 -3.406 45 HE ARG 5 HE ARG 5 1.392 -6.731 -2.916 46 HH11 ARG 5 1HH1 ARG 5 3.984 -7.288 -5.263 47 HH12 ARG 5 2HH1 ARG 5 3.670 -8.947 -5.440 48 HH21 ARG 5 1HH2 ARG 5 0.923 -9.017 -3.197 49 HH22 ARG 5 2HH2 ARG 5 1.882 -9.945 -4.262 50 H VAL 6 HN VAL 6 1.493 -1.640 -0.978 51 HA VAL 6 HA VAL 6 2.228 0.474 -2.862 52 HB VAL 6 HB VAL 6 2.239 0.530 0.172 53 HG11 VAL 6 1HG1 VAL 6 2.685 2.757 -1.821 54 HG12 VAL 6 2HG1 VAL 6 3.916 2.009 -0.803 55 HG13 VAL 6 3HG1 VAL 6 2.607 2.936 -0.068 56 HG21 VAL 6 1HG2 VAL 6 0.320 1.810 -1.764 57 HG22 VAL 6 2HG2 VAL 6 0.323 2.030 -0.013 58 HG23 VAL 6 3HG2 VAL 6 -0.026 0.446 -0.704 59 H CYS 7 HN CYS 7 4.243 0.354 -3.532 60 HA CYS 7 HA CYS 7 6.198 -0.867 -1.742 61 HB2 CYS 7 2HB CYS 7 6.248 -0.537 -4.748 62 HB3 CYS 7 1HB CYS 7 7.619 -1.099 -3.798 63 H TYR 8 HN TYR 8 7.423 0.402 -0.778 64 HA TYR 8 HA TYR 8 8.252 2.960 -1.940 65 HB2 TYR 8 2HB TYR 8 6.239 3.453 -0.683 66 HB3 TYR 8 1HB TYR 8 6.860 2.571 0.704 67 HD1 TYR 8 1HD TYR 8 8.259 3.679 2.293 68 HD2 TYR 8 2HD TYR 8 7.323 5.613 -1.376 69 HE1 TYR 8 1HE TYR 8 9.186 5.752 3.166 70 HE2 TYR 8 2HE TYR 8 8.253 7.708 -0.521 71 HH TYR 8 HH TYR 8 8.681 8.760 1.692 72 H ARG 9 HN ARG 9 10.398 2.968 -1.777 73 HA ARG 9 HA ARG 9 12.528 2.689 -1.083 74 HB2 ARG 9 2HB ARG 9 11.267 2.611 1.663 75 HB3 ARG 9 1HB ARG 9 12.993 2.727 1.373 76 HG2 ARG 9 2HG ARG 9 12.519 4.862 0.109 77 HG3 ARG 9 1HG ARG 9 10.868 4.731 0.696 78 HD2 ARG 9 2HD ARG 9 11.645 4.764 3.000 79 HD3 ARG 9 1HD ARG 9 13.316 4.859 2.440 80 HE ARG 9 HE ARG 9 11.985 6.950 1.265 81 HH11 ARG 9 1HH1 ARG 9 12.778 5.977 4.574 82 HH12 ARG 9 2HH1 ARG 9 12.740 7.570 5.186 83 HH21 ARG 9 1HH2 ARG 9 11.979 9.142 2.130 84 HH22 ARG 9 2HH2 ARG 9 12.324 9.380 3.771 85 H GLY 10 HN GLY 10 10.925 0.389 -1.741 86 HA2 GLY 10 2HA GLY 10 11.693 -1.806 -2.097 87 HA3 GLY 10 1HA GLY 10 12.754 -1.629 -0.703 88 H ILE 11 HN ILE 11 10.033 -0.415 0.405 89 HA ILE 11 HA ILE 11 9.291 -2.885 1.763 90 HB ILE 11 HB ILE 11 8.220 -0.089 2.208 91 HG12 ILE 11 2HG1 ILE 11 10.461 -1.388 3.754 92 HG13 ILE 11 1HG1 ILE 11 10.733 -0.278 2.414 93 HG21 ILE 11 1HG2 ILE 11 7.622 -0.939 4.410 94 HG22 ILE 11 2HG2 ILE 11 8.358 -2.494 4.031 95 HG23 ILE 11 3HG2 ILE 11 6.921 -1.969 3.157 96 HD11 ILE 11 1HD1 ILE 11 10.906 0.869 4.567 97 HD12 ILE 11 2HD1 ILE 11 9.267 0.360 4.976 98 HD13 ILE 11 3HD1 ILE 11 9.537 1.478 3.640 99 H CYS 12 HN CYS 12 7.775 -4.003 0.685 100 HA CYS 12 HA CYS 12 5.644 -2.467 -0.565 101 HB2 CYS 12 2HB CYS 12 6.446 -5.353 -1.072 102 HB3 CYS 12 1HB CYS 12 5.096 -4.492 -1.814 103 H TYR 13 HN TYR 13 3.815 -2.376 0.504 104 HA TYR 13 HA TYR 13 3.118 -4.587 2.246 105 HB2 TYR 13 2HB TYR 13 2.332 -2.931 3.963 106 HB3 TYR 13 1HB TYR 13 4.074 -2.993 3.764 107 HD1 TYR 13 1HD TYR 13 5.179 -1.136 2.383 108 HD2 TYR 13 2HD TYR 13 1.163 -0.880 3.767 109 HE1 TYR 13 1HE TYR 13 5.257 1.280 2.104 110 HE2 TYR 13 2HE TYR 13 1.224 1.560 3.481 111 HH TYR 13 HH TYR 13 3.612 3.172 1.744 112 H ARG 14 HN ARG 14 0.954 -4.866 2.567 113 HA ARG 14 HA ARG 14 -0.672 -3.916 0.393 114 HB2 ARG 14 2HB ARG 14 -0.684 -6.291 1.029 115 HB3 ARG 14 1HB ARG 14 -1.203 -5.863 2.645 116 HG2 ARG 14 2HG ARG 14 -3.338 -5.093 1.780 117 HG3 ARG 14 1HG ARG 14 -2.802 -5.435 0.133 118 HD2 ARG 14 2HD ARG 14 -2.602 -7.758 0.594 119 HD3 ARG 14 1HD ARG 14 -2.916 -7.509 2.310 120 HE ARG 14 HE ARG 14 -5.159 -6.639 1.425 121 HH11 ARG 14 1HH1 ARG 14 -3.381 -9.388 0.077 122 HH12 ARG 14 2HH1 ARG 14 -4.771 -10.202 -0.470 123 HH21 ARG 14 1HH2 ARG 14 -7.061 -7.756 0.667 124 HH22 ARG 14 2HH2 ARG 14 -6.925 -9.258 -0.108 125 H LYS 15 HN LYS 15 -1.228 -1.923 0.720 126 HA LYS 15 HA LYS 15 -2.053 -0.983 3.350 127 HB2 LYS 15 2HB LYS 15 -0.467 0.386 2.094 128 HB3 LYS 15 1HB LYS 15 -1.611 0.507 0.766 129 HG2 LYS 15 2HG LYS 15 -3.172 1.696 2.243 130 HG3 LYS 15 1HG LYS 15 -1.979 1.615 3.534 131 HD2 LYS 15 2HD LYS 15 -0.416 2.909 2.155 132 HD3 LYS 15 1HD LYS 15 -1.629 2.993 0.875 133 HE2 LYS 15 2HE LYS 15 -1.646 5.049 2.151 134 HE3 LYS 15 1HE LYS 15 -3.147 4.167 2.416 135 HZ1 LYS 15 1HZ LYS 15 -2.303 5.031 4.491 136 HZ2 LYS 15 2HZ LYS 15 -0.821 4.302 4.247 137 HZ3 LYS 15 3HZ LYS 15 -2.172 3.348 4.533 138 H CYS 16 HN CYS 16 -4.081 -0.526 3.847 139 HA CYS 16 HA CYS 16 -6.087 -0.776 1.745 140 HB2 CYS 16 2HB CYS 16 -6.317 -1.312 4.704 141 HB3 CYS 16 1HB CYS 16 -7.691 -1.280 3.603 142 H ARG 17 HN ARG 17 -6.691 1.021 1.052 143 HA ARG 17 HA ARG 17 -6.893 3.372 2.764 144 HB2 ARG 17 2HB ARG 17 -5.696 3.637 0.640 145 HB3 ARG 17 1HB ARG 17 -7.062 2.973 -0.237 146 HG2 ARG 17 2HG ARG 17 -8.408 4.912 0.426 147 HG3 ARG 17 1HG ARG 17 -7.001 5.587 1.257 148 HD2 ARG 17 2HD ARG 17 -7.258 6.562 -0.960 149 HD3 ARG 17 1HD ARG 17 -5.773 5.616 -0.841 150 HE ARG 17 HE ARG 17 -8.178 4.411 -1.992 151 HH11 ARG 17 1HH1 ARG 17 -4.890 5.634 -2.474 152 HH12 ARG 17 2HH1 ARG 17 -4.663 4.926 -3.993 153 HH21 ARG 17 1HH2 ARG 17 -7.895 3.418 -4.116 154 HH22 ARG 17 2HH2 ARG 17 -6.429 3.605 -4.953 155 H GLY 18 HN GLY 18 -8.719 2.835 3.896 156 HA2 GLY 18 2HA GLY 18 -10.978 2.807 4.258 157 HA3 GLY 18 1HA GLY 18 -11.227 3.057 2.527 Start of MODEL 14 1 H1 LYS 1 HN LYS 1 -12.275 0.980 0.870 2 HA LYS 1 HA LYS 1 -11.930 -1.479 2.408 3 HB2 LYS 1 2HB LYS 1 -13.643 -0.853 0.016 4 HB3 LYS 1 1HB LYS 1 -13.533 -2.417 0.808 5 HG2 LYS 1 2HG LYS 1 -14.461 0.109 2.114 6 HG3 LYS 1 1HG LYS 1 -15.521 -1.118 1.434 7 HD2 LYS 1 2HD LYS 1 -14.405 -2.767 3.005 8 HD3 LYS 1 1HD LYS 1 -13.590 -1.395 3.747 9 HE2 LYS 1 2HE LYS 1 -15.541 -1.996 5.040 10 HE3 LYS 1 1HE LYS 1 -15.771 -0.412 4.301 11 HZ1 LYS 1 1HZ LYS 1 -17.120 -1.431 2.595 12 HZ2 LYS 1 2HZ LYS 1 -17.752 -1.797 4.096 13 HZ3 LYS 1 3HZ LYS 1 -16.881 -2.963 3.241 14 H TRP 2 HN TRP 2 -10.504 0.338 -0.046 15 HA TRP 2 HA TRP 2 -9.817 -1.929 -1.716 16 HB2 TRP 2 2HB TRP 2 -10.412 0.347 -2.660 17 HB3 TRP 2 1HB TRP 2 -8.920 0.952 -1.960 18 HD1 TRP 2 1HD TRP 2 -6.623 -0.536 -2.928 19 HE1 TRP 2 1HE TRP 2 -6.131 -1.153 -5.383 20 HE3 TRP 2 3HE TRP 2 -11.342 -0.095 -4.841 21 HZ2 TRP 2 2HZ TRP 2 -7.554 -1.412 -7.807 22 HZ3 TRP 2 3HZ TRP 2 -11.685 -0.541 -7.236 23 HH2 TRP 2 2HH TRP 2 -9.826 -1.184 -8.680 24 H CYS 3 HN CYS 3 -8.056 -3.053 -1.339 25 HA CYS 3 HA CYS 3 -5.942 -1.820 0.264 26 HB2 CYS 3 2HB CYS 3 -6.670 -4.716 -0.106 27 HB3 CYS 3 1HB CYS 3 -5.241 -4.169 0.769 28 H PHE 4 HN PHE 4 -4.135 -1.345 -0.732 29 HA PHE 4 HA PHE 4 -3.567 -2.761 -3.200 30 HB2 PHE 4 2HB PHE 4 -2.874 -0.642 -4.276 31 HB3 PHE 4 1HB PHE 4 -4.583 -0.660 -3.887 32 HD1 PHE 4 1HD PHE 4 -1.530 1.124 -3.644 33 HD2 PHE 4 2HD PHE 4 -5.286 0.592 -1.717 34 HE1 PHE 4 1HE PHE 4 -1.267 3.298 -2.530 35 HE2 PHE 4 2HE PHE 4 -5.025 2.757 -0.601 36 HZ PHE 4 HZ PHE 4 -3.015 4.119 -1.005 37 H ARG 5 HN ARG 5 -1.313 -2.417 -3.881 38 HA ARG 5 HA ARG 5 0.307 -2.799 -1.513 39 HB2 ARG 5 2HB ARG 5 0.318 -4.432 -3.406 40 HB3 ARG 5 1HB ARG 5 1.064 -3.190 -4.397 41 HG2 ARG 5 2HG ARG 5 2.950 -3.089 -2.842 42 HG3 ARG 5 1HG ARG 5 2.217 -4.378 -1.886 43 HD2 ARG 5 2HD ARG 5 3.866 -5.351 -3.311 44 HD3 ARG 5 1HD ARG 5 2.273 -5.810 -3.912 45 HE ARG 5 HE ARG 5 2.822 -3.622 -5.351 46 HH11 ARG 5 1HH1 ARG 5 4.683 -6.567 -4.740 47 HH12 ARG 5 2HH1 ARG 5 5.592 -6.463 -6.175 48 HH21 ARG 5 1HH2 ARG 5 4.026 -3.471 -7.312 49 HH22 ARG 5 2HH2 ARG 5 5.178 -4.656 -7.700 50 H VAL 6 HN VAL 6 1.603 -1.319 -0.786 51 HA VAL 6 HA VAL 6 2.366 0.909 -2.540 52 HB VAL 6 HB VAL 6 2.308 0.839 0.500 53 HG11 VAL 6 1HG1 VAL 6 4.010 2.351 -0.383 54 HG12 VAL 6 2HG1 VAL 6 2.694 3.255 0.364 55 HG13 VAL 6 3HG1 VAL 6 2.795 3.138 -1.392 56 HG21 VAL 6 1HG2 VAL 6 0.053 0.811 -0.425 57 HG22 VAL 6 2HG2 VAL 6 0.434 2.223 -1.412 58 HG23 VAL 6 3HG2 VAL 6 0.400 2.359 0.348 59 H CYS 7 HN CYS 7 4.439 0.944 -3.069 60 HA CYS 7 HA CYS 7 6.274 -0.669 -1.474 61 HB2 CYS 7 2HB CYS 7 6.418 0.086 -4.401 62 HB3 CYS 7 1HB CYS 7 7.688 -0.755 -3.516 63 H TYR 8 HN TYR 8 7.577 0.360 -0.307 64 HA TYR 8 HA TYR 8 8.459 3.059 -1.055 65 HB2 TYR 8 2HB TYR 8 6.891 3.252 0.761 66 HB3 TYR 8 1HB TYR 8 7.685 1.961 1.649 67 HD1 TYR 8 1HD TYR 8 8.320 5.383 0.294 68 HD2 TYR 8 2HD TYR 8 9.264 2.489 3.263 69 HE1 TYR 8 1HE TYR 8 9.683 7.041 1.468 70 HE2 TYR 8 2HE TYR 8 10.625 4.133 4.448 71 HH TYR 8 HH TYR 8 10.541 7.455 3.686 72 H ARG 9 HN ARG 9 10.466 2.764 -1.726 73 HA ARG 9 HA ARG 9 12.670 2.306 -1.766 74 HB2 ARG 9 2HB ARG 9 12.377 1.895 1.221 75 HB3 ARG 9 1HB ARG 9 13.878 2.205 0.360 76 HG2 ARG 9 2HG ARG 9 13.011 4.416 -0.302 77 HG3 ARG 9 1HG ARG 9 11.555 4.100 0.642 78 HD2 ARG 9 2HD ARG 9 13.058 5.442 1.945 79 HD3 ARG 9 1HD ARG 9 12.981 3.826 2.644 80 HE ARG 9 HE ARG 9 15.085 4.148 0.756 81 HH11 ARG 9 1HH1 ARG 9 14.245 4.491 4.178 82 HH12 ARG 9 2HH1 ARG 9 15.874 4.552 4.678 83 HH21 ARG 9 1HH2 ARG 9 17.284 4.226 1.478 84 HH22 ARG 9 2HH2 ARG 9 17.625 4.408 3.135 85 H GLY 10 HN GLY 10 10.756 0.172 -2.077 86 HA2 GLY 10 2HA GLY 10 11.284 -2.023 -2.843 87 HA3 GLY 10 1HA GLY 10 12.552 -2.086 -1.623 88 H ILE 11 HN ILE 11 10.440 -0.846 0.230 89 HA ILE 11 HA ILE 11 9.550 -3.383 1.284 90 HB ILE 11 HB ILE 11 9.024 -0.562 2.274 91 HG12 ILE 11 2HG1 ILE 11 11.128 -2.500 3.246 92 HG13 ILE 11 1HG1 ILE 11 11.449 -1.219 2.080 93 HG21 ILE 11 1HG2 ILE 11 7.465 -2.229 3.172 94 HG22 ILE 11 2HG2 ILE 11 8.556 -1.639 4.426 95 HG23 ILE 11 3HG2 ILE 11 8.824 -3.223 3.698 96 HD11 ILE 11 1HD1 ILE 11 10.796 0.444 3.738 97 HD12 ILE 11 2HD1 ILE 11 12.116 -0.567 4.334 98 HD13 ILE 11 3HD1 ILE 11 10.466 -0.836 4.907 99 H CYS 12 HN CYS 12 7.780 -4.217 0.336 100 HA CYS 12 HA CYS 12 5.693 -2.362 -0.544 101 HB2 CYS 12 2HB CYS 12 6.168 -5.208 -1.460 102 HB3 CYS 12 1HB CYS 12 4.893 -4.120 -1.999 103 H TYR 13 HN TYR 13 4.012 -2.189 0.694 104 HA TYR 13 HA TYR 13 3.222 -4.514 2.250 105 HB2 TYR 13 2HB TYR 13 2.506 -2.918 4.047 106 HB3 TYR 13 1HB TYR 13 4.240 -3.009 3.812 107 HD1 TYR 13 1HD TYR 13 1.246 -0.833 3.454 108 HD2 TYR 13 2HD TYR 13 5.489 -1.078 3.005 109 HE1 TYR 13 1HE TYR 13 1.375 1.590 3.305 110 HE2 TYR 13 2HE TYR 13 5.602 1.365 2.842 111 HH TYR 13 HH TYR 13 4.159 3.280 2.315 112 H ARG 14 HN ARG 14 1.048 -4.790 2.523 113 HA ARG 14 HA ARG 14 -0.581 -3.562 0.482 114 HB2 ARG 14 2HB ARG 14 -0.769 -5.966 0.800 115 HB3 ARG 14 1HB ARG 14 -1.152 -5.727 2.494 116 HG2 ARG 14 2HG ARG 14 -3.258 -4.671 1.890 117 HG3 ARG 14 1HG ARG 14 -2.879 -4.864 0.177 118 HD2 ARG 14 2HD ARG 14 -3.169 -7.100 2.178 119 HD3 ARG 14 1HD ARG 14 -4.393 -6.625 0.996 120 HE ARG 14 HE ARG 14 -2.448 -7.084 -0.631 121 HH11 ARG 14 1HH1 ARG 14 -3.257 -9.028 2.204 122 HH12 ARG 14 2HH1 ARG 14 -2.655 -10.486 1.564 123 HH21 ARG 14 1HH2 ARG 14 -1.649 -9.074 -1.530 124 HH22 ARG 14 2HH2 ARG 14 -1.737 -10.513 -0.622 125 H LYS 15 HN LYS 15 -1.028 -1.625 1.026 126 HA LYS 15 HA LYS 15 -1.997 -0.963 3.702 127 HB2 LYS 15 2HB LYS 15 -0.118 0.333 2.694 128 HB3 LYS 15 1HB LYS 15 -1.160 0.773 1.370 129 HG2 LYS 15 2HG LYS 15 -1.898 1.546 4.157 130 HG3 LYS 15 1HG LYS 15 -0.682 2.460 3.267 131 HD2 LYS 15 2HD LYS 15 -2.251 2.820 1.477 132 HD3 LYS 15 1HD LYS 15 -3.466 1.878 2.350 133 HE2 LYS 15 2HE LYS 15 -2.199 4.435 3.352 134 HE3 LYS 15 1HE LYS 15 -3.776 4.321 2.579 135 HZ1 LYS 15 1HZ LYS 15 -4.541 2.920 4.360 136 HZ2 LYS 15 2HZ LYS 15 -3.976 4.380 4.964 137 HZ3 LYS 15 3HZ LYS 15 -3.035 2.982 5.133 138 H CYS 16 HN CYS 16 -4.090 -0.091 3.977 139 HA CYS 16 HA CYS 16 -5.784 -0.493 1.632 140 HB2 CYS 16 2HB CYS 16 -6.508 -0.910 4.533 141 HB3 CYS 16 1HB CYS 16 -7.578 -1.160 3.156 142 H ARG 17 HN ARG 17 -7.293 0.909 1.107 143 HA ARG 17 HA ARG 17 -7.573 3.410 2.623 144 HB2 ARG 17 2HB ARG 17 -6.262 3.795 0.601 145 HB3 ARG 17 1HB ARG 17 -7.455 2.950 -0.369 146 HG2 ARG 17 2HG ARG 17 -9.093 4.715 0.154 147 HG3 ARG 17 1HG ARG 17 -7.851 5.569 1.071 148 HD2 ARG 17 2HD ARG 17 -7.684 4.873 -1.858 149 HD3 ARG 17 1HD ARG 17 -8.121 6.454 -1.215 150 HE ARG 17 HE ARG 17 -5.751 5.988 -0.052 151 HH11 ARG 17 1HH1 ARG 17 -6.740 5.771 -3.439 152 HH12 ARG 17 2HH1 ARG 17 -5.244 6.265 -4.055 153 HH21 ARG 17 1HH2 ARG 17 -3.692 6.650 -0.886 154 HH22 ARG 17 2HH2 ARG 17 -3.457 6.804 -2.568 155 H GLY 18 HN GLY 18 -9.582 3.224 3.475 156 HA2 GLY 18 2HA GLY 18 -11.833 2.870 3.596 157 HA3 GLY 18 1HA GLY 18 -11.858 2.853 1.830 Start of MODEL 15 1 H1 LYS 1 HN LYS 1 -12.038 1.162 1.110 2 HA LYS 1 HA LYS 1 -12.059 -1.486 2.390 3 HB2 LYS 1 2HB LYS 1 -13.914 -2.120 0.887 4 HB3 LYS 1 1HB LYS 1 -14.339 -0.818 1.987 5 HG2 LYS 1 2HG LYS 1 -14.158 0.804 0.221 6 HG3 LYS 1 1HG LYS 1 -13.543 -0.418 -0.893 7 HD2 LYS 1 2HD LYS 1 -15.892 0.018 -1.340 8 HD3 LYS 1 1HD LYS 1 -15.682 -1.618 -0.725 9 HE2 LYS 1 2HE LYS 1 -17.633 -0.591 0.275 10 HE3 LYS 1 1HE LYS 1 -16.406 -0.859 1.505 11 HZ1 LYS 1 1HZ LYS 1 -16.888 1.732 0.142 12 HZ2 LYS 1 2HZ LYS 1 -15.872 1.473 1.469 13 HZ3 LYS 1 3HZ LYS 1 -17.521 1.325 1.631 14 H TRP 2 HN TRP 2 -10.340 0.294 0.253 15 HA TRP 2 HA TRP 2 -10.003 -1.980 -1.537 16 HB2 TRP 2 2HB TRP 2 -10.639 0.297 -2.515 17 HB3 TRP 2 1HB TRP 2 -9.027 0.821 -2.057 18 HD1 TRP 2 1HD TRP 2 -6.952 -0.648 -3.206 19 HE1 TRP 2 1HE TRP 2 -6.779 -1.616 -5.590 20 HE3 TRP 2 3HE TRP 2 -11.897 -0.662 -4.413 21 HZ2 TRP 2 2HZ TRP 2 -8.518 -2.292 -7.693 22 HZ3 TRP 2 3HZ TRP 2 -12.563 -1.490 -6.634 23 HH2 TRP 2 2HH TRP 2 -10.900 -2.288 -8.233 24 H CYS 3 HN CYS 3 -8.159 -3.062 -1.393 25 HA CYS 3 HA CYS 3 -5.967 -1.831 0.100 26 HB2 CYS 3 2HB CYS 3 -6.664 -4.732 -0.273 27 HB3 CYS 3 1HB CYS 3 -5.210 -4.159 0.541 28 H PHE 4 HN PHE 4 -4.111 -1.528 -0.843 29 HA PHE 4 HA PHE 4 -3.586 -2.776 -3.414 30 HB2 PHE 4 2HB PHE 4 -2.694 -0.492 -4.163 31 HB3 PHE 4 1HB PHE 4 -4.441 -0.679 -4.097 32 HD1 PHE 4 1HD PHE 4 -5.756 0.737 -2.749 33 HD2 PHE 4 2HD PHE 4 -1.533 0.746 -2.308 34 HE1 PHE 4 1HE PHE 4 -5.927 2.700 -1.325 35 HE2 PHE 4 2HE PHE 4 -1.700 2.733 -0.877 36 HZ PHE 4 HZ PHE 4 -3.896 3.707 -0.373 37 H ARG 5 HN ARG 5 -1.244 -2.343 -4.021 38 HA ARG 5 HA ARG 5 0.303 -2.766 -1.580 39 HB2 ARG 5 2HB ARG 5 0.334 -4.579 -3.237 40 HB3 ARG 5 1HB ARG 5 1.013 -3.479 -4.428 41 HG2 ARG 5 2HG ARG 5 3.010 -3.211 -3.060 42 HG3 ARG 5 1HG ARG 5 2.326 -4.274 -1.832 43 HD2 ARG 5 2HD ARG 5 3.887 -5.516 -3.191 44 HD3 ARG 5 1HD ARG 5 2.252 -6.092 -3.504 45 HE ARG 5 HE ARG 5 2.964 -4.076 -5.333 46 HH11 ARG 5 1HH1 ARG 5 3.723 -7.470 -4.641 47 HH12 ARG 5 2HH1 ARG 5 3.989 -7.879 -6.275 48 HH21 ARG 5 1HH2 ARG 5 3.417 -4.626 -7.529 49 HH22 ARG 5 2HH2 ARG 5 3.844 -6.226 -7.952 50 H VAL 6 HN VAL 6 1.595 -1.274 -0.923 51 HA VAL 6 HA VAL 6 2.439 0.831 -2.784 52 HB VAL 6 HB VAL 6 2.349 0.873 0.251 53 HG11 VAL 6 1HG1 VAL 6 4.146 2.264 -0.607 54 HG12 VAL 6 2HG1 VAL 6 2.847 3.275 0.027 55 HG13 VAL 6 3HG1 VAL 6 3.029 3.054 -1.714 56 HG21 VAL 6 1HG2 VAL 6 0.598 2.273 -1.760 57 HG22 VAL 6 2HG2 VAL 6 0.540 2.489 -0.009 58 HG23 VAL 6 3HG2 VAL 6 0.125 0.931 -0.719 59 H CYS 7 HN CYS 7 4.534 0.833 -3.295 60 HA CYS 7 HA CYS 7 6.307 -0.714 -1.578 61 HB2 CYS 7 2HB CYS 7 6.532 -0.124 -4.535 62 HB3 CYS 7 1HB CYS 7 7.783 -0.917 -3.577 63 H TYR 8 HN TYR 8 7.600 0.344 -0.424 64 HA TYR 8 HA TYR 8 8.511 3.011 -1.243 65 HB2 TYR 8 2HB TYR 8 6.837 3.312 0.457 66 HB3 TYR 8 1HB TYR 8 7.546 2.050 1.451 67 HD1 TYR 8 1HD TYR 8 8.332 5.397 -0.000 68 HD2 TYR 8 2HD TYR 8 9.017 2.634 3.160 69 HE1 TYR 8 1HE TYR 8 9.595 7.096 1.204 70 HE2 TYR 8 2HE TYR 8 10.292 4.322 4.374 71 HH TYR 8 HH TYR 8 10.248 7.600 3.513 72 H ARG 9 HN ARG 9 10.571 2.724 -1.707 73 HA ARG 9 HA ARG 9 12.752 2.306 -1.556 74 HB2 ARG 9 2HB ARG 9 12.197 2.076 1.409 75 HB3 ARG 9 1HB ARG 9 13.801 2.191 0.697 76 HG2 ARG 9 2HG ARG 9 13.073 4.392 -0.300 77 HG3 ARG 9 1HG ARG 9 11.625 4.253 0.674 78 HD2 ARG 9 2HD ARG 9 12.892 4.269 2.713 79 HD3 ARG 9 1HD ARG 9 14.414 4.222 1.819 80 HE ARG 9 HE ARG 9 12.843 6.441 1.039 81 HH11 ARG 9 1HH1 ARG 9 14.883 5.398 3.755 82 HH12 ARG 9 2HH1 ARG 9 15.401 6.979 4.119 83 HH21 ARG 9 1HH2 ARG 9 13.540 8.579 1.594 84 HH22 ARG 9 2HH2 ARG 9 14.606 8.814 2.909 85 H GLY 10 HN GLY 10 10.917 0.091 -1.942 86 HA2 GLY 10 2HA GLY 10 11.569 -2.108 -2.603 87 HA3 GLY 10 1HA GLY 10 12.817 -2.075 -1.364 88 H ILE 11 HN ILE 11 10.387 -0.818 0.223 89 HA ILE 11 HA ILE 11 9.560 -3.357 1.395 90 HB ILE 11 HB ILE 11 8.945 -0.522 2.276 91 HG12 ILE 11 2HG1 ILE 11 11.073 -2.344 3.396 92 HG13 ILE 11 1HG1 ILE 11 11.397 -1.108 2.184 93 HG21 ILE 11 1HG2 ILE 11 8.781 -3.151 3.765 94 HG22 ILE 11 2HG2 ILE 11 7.412 -2.208 3.179 95 HG23 ILE 11 3HG2 ILE 11 8.448 -1.561 4.451 96 HD11 ILE 11 1HD1 ILE 11 11.946 -0.332 4.410 97 HD12 ILE 11 2HD1 ILE 11 10.286 -0.635 4.938 98 HD13 ILE 11 3HD1 ILE 11 10.618 0.604 3.727 99 H CYS 12 HN CYS 12 7.809 -4.198 0.435 100 HA CYS 12 HA CYS 12 5.761 -2.357 -0.546 101 HB2 CYS 12 2HB CYS 12 6.226 -5.257 -1.284 102 HB3 CYS 12 1HB CYS 12 4.941 -4.221 -1.904 103 H TYR 13 HN TYR 13 3.972 -2.155 0.564 104 HA TYR 13 HA TYR 13 3.227 -4.345 2.317 105 HB2 TYR 13 2HB TYR 13 2.521 -2.686 4.033 106 HB3 TYR 13 1HB TYR 13 4.252 -2.717 3.765 107 HD1 TYR 13 1HD TYR 13 5.331 -0.804 2.528 108 HD2 TYR 13 2HD TYR 13 1.238 -0.710 3.687 109 HE1 TYR 13 1HE TYR 13 5.317 1.636 2.263 110 HE2 TYR 13 2HE TYR 13 1.213 1.725 3.420 111 HH TYR 13 HH TYR 13 3.635 3.449 1.839 112 H ARG 14 HN ARG 14 1.027 -4.439 2.835 113 HA ARG 14 HA ARG 14 -0.621 -3.715 0.562 114 HB2 ARG 14 2HB ARG 14 -0.521 -6.046 1.566 115 HB3 ARG 14 1HB ARG 14 -1.288 -5.381 2.991 116 HG2 ARG 14 2HG ARG 14 -2.944 -6.486 1.700 117 HG3 ARG 14 1HG ARG 14 -3.229 -4.751 1.574 118 HD2 ARG 14 2HD ARG 14 -2.243 -4.700 -0.626 119 HD3 ARG 14 1HD ARG 14 -1.745 -6.389 -0.485 120 HE ARG 14 HE ARG 14 -4.499 -6.189 -0.079 121 HH11 ARG 14 1HH1 ARG 14 -2.140 -6.161 -2.760 122 HH12 ARG 14 2HH1 ARG 14 -3.312 -6.549 -3.921 123 HH21 ARG 14 1HH2 ARG 14 -6.054 -6.748 -1.706 124 HH22 ARG 14 2HH2 ARG 14 -5.574 -6.861 -3.334 125 H LYS 15 HN LYS 15 -1.044 -1.609 0.864 126 HA LYS 15 HA LYS 15 -2.011 -0.631 3.437 127 HB2 LYS 15 2HB LYS 15 -0.323 0.660 2.108 128 HB3 LYS 15 1HB LYS 15 -1.533 0.868 0.856 129 HG2 LYS 15 2HG LYS 15 -2.929 2.139 2.417 130 HG3 LYS 15 1HG LYS 15 -1.706 1.926 3.671 131 HD2 LYS 15 2HD LYS 15 -0.073 3.103 2.259 132 HD3 LYS 15 1HD LYS 15 -1.319 3.338 1.037 133 HE2 LYS 15 2HE LYS 15 -1.062 5.351 2.351 134 HE3 LYS 15 1HE LYS 15 -2.637 4.622 2.651 135 HZ1 LYS 15 1HZ LYS 15 -0.273 4.310 4.408 136 HZ2 LYS 15 2HZ LYS 15 -1.823 3.755 4.751 137 HZ3 LYS 15 3HZ LYS 15 -1.512 5.398 4.672 138 H CYS 16 HN CYS 16 -4.091 0.107 3.721 139 HA CYS 16 HA CYS 16 -5.934 -0.494 1.525 140 HB2 CYS 16 2HB CYS 16 -6.378 -1.038 4.464 141 HB3 CYS 16 1HB CYS 16 -7.553 -1.306 3.182 142 H ARG 17 HN ARG 17 -7.207 1.079 0.962 143 HA ARG 17 HA ARG 17 -7.546 3.343 2.793 144 HB2 ARG 17 2HB ARG 17 -6.362 3.854 0.648 145 HB3 ARG 17 1HB ARG 17 -7.764 3.265 -0.226 146 HG2 ARG 17 2HG ARG 17 -9.120 5.070 0.681 147 HG3 ARG 17 1HG ARG 17 -7.743 5.646 1.625 148 HD2 ARG 17 2HD ARG 17 -6.491 6.036 -0.449 149 HD3 ARG 17 1HD ARG 17 -7.869 5.476 -1.388 150 HE ARG 17 HE ARG 17 -8.655 7.576 0.301 151 HH11 ARG 17 1HH1 ARG 17 -6.776 7.014 -2.644 152 HH12 ARG 17 2HH1 ARG 17 -7.036 8.582 -3.271 153 HH21 ARG 17 1HH2 ARG 17 -9.009 9.738 -0.601 154 HH22 ARG 17 2HH2 ARG 17 -8.315 10.132 -2.111 155 H GLY 18 HN GLY 18 -9.342 2.817 3.826 156 HA2 GLY 18 2HA GLY 18 -11.591 2.625 4.174 157 HA3 GLY 18 1HA GLY 18 -11.839 2.880 2.451 Start of MODEL 16 1 H1 LYS 1 HN LYS 1 -12.202 1.593 1.331 2 HA LYS 1 HA LYS 1 -12.186 -1.212 2.150 3 HB2 LYS 1 2HB LYS 1 -14.092 -1.463 0.598 4 HB3 LYS 1 1HB LYS 1 -14.375 -0.240 1.826 5 HG2 LYS 1 2HG LYS 1 -13.870 1.516 0.193 6 HG3 LYS 1 1HG LYS 1 -13.587 0.286 -1.040 7 HD2 LYS 1 2HD LYS 1 -15.810 1.205 -1.314 8 HD3 LYS 1 1HD LYS 1 -15.938 -0.461 -0.756 9 HE2 LYS 1 2HE LYS 1 -16.328 0.341 1.527 10 HE3 LYS 1 1HE LYS 1 -16.187 2.006 0.962 11 HZ1 LYS 1 1HZ LYS 1 -18.508 1.277 1.176 12 HZ2 LYS 1 2HZ LYS 1 -18.232 0.064 0.040 13 HZ3 LYS 1 3HZ LYS 1 -18.137 1.665 -0.419 14 H TRP 2 HN TRP 2 -10.158 0.491 0.468 15 HA TRP 2 HA TRP 2 -9.888 -1.417 -1.732 16 HB2 TRP 2 2HB TRP 2 -10.390 0.819 -2.532 17 HB3 TRP 2 1HB TRP 2 -9.112 1.492 -1.545 18 HD1 TRP 2 1HD TRP 2 -8.576 -1.605 -3.732 19 HE1 TRP 2 1HE TRP 2 -6.850 -1.018 -5.581 20 HE3 TRP 2 3HE TRP 2 -8.157 3.385 -2.847 21 HZ2 TRP 2 2HZ TRP 2 -5.513 1.309 -6.522 22 HZ3 TRP 2 3HZ TRP 2 -6.658 4.726 -4.261 23 HH2 TRP 2 2HH TRP 2 -5.369 3.702 -6.055 24 H CYS 3 HN CYS 3 -8.335 -2.822 -1.206 25 HA CYS 3 HA CYS 3 -5.970 -1.820 0.197 26 HB2 CYS 3 2HB CYS 3 -7.049 -4.637 -0.033 27 HB3 CYS 3 1HB CYS 3 -5.550 -4.197 0.769 28 H PHE 4 HN PHE 4 -4.136 -1.735 -0.865 29 HA PHE 4 HA PHE 4 -3.733 -3.397 -3.193 30 HB2 PHE 4 2HB PHE 4 -3.057 -1.459 -4.577 31 HB3 PHE 4 1HB PHE 4 -4.745 -1.348 -4.112 32 HD1 PHE 4 1HD PHE 4 -1.637 0.334 -4.268 33 HD2 PHE 4 2HD PHE 4 -5.272 0.172 -2.061 34 HE1 PHE 4 1HE PHE 4 -1.229 2.602 -3.428 35 HE2 PHE 4 2HE PHE 4 -4.866 2.434 -1.210 36 HZ PHE 4 HZ PHE 4 -2.826 3.658 -1.901 37 H ARG 5 HN ARG 5 -1.389 -3.099 -3.914 38 HA ARG 5 HA ARG 5 0.171 -3.085 -1.467 39 HB2 ARG 5 2HB ARG 5 0.299 -5.004 -3.066 40 HB3 ARG 5 1HB ARG 5 1.036 -3.914 -4.232 41 HG2 ARG 5 2HG ARG 5 2.858 -3.481 -2.619 42 HG3 ARG 5 1HG ARG 5 2.140 -4.673 -1.538 43 HD2 ARG 5 2HD ARG 5 3.869 -5.771 -2.738 44 HD3 ARG 5 1HD ARG 5 2.332 -6.326 -3.389 45 HE ARG 5 HE ARG 5 3.242 -4.127 -4.870 46 HH11 ARG 5 1HH1 ARG 5 3.851 -7.582 -4.379 47 HH12 ARG 5 2HH1 ARG 5 4.633 -7.815 -5.872 48 HH21 ARG 5 1HH2 ARG 5 4.322 -4.449 -6.951 49 HH22 ARG 5 2HH2 ARG 5 4.887 -5.994 -7.375 50 H VAL 6 HN VAL 6 1.634 -1.626 -1.002 51 HA VAL 6 HA VAL 6 2.357 0.372 -3.026 52 HB VAL 6 HB VAL 6 2.242 0.740 -0.011 53 HG11 VAL 6 1HG1 VAL 6 2.589 3.122 -0.497 54 HG12 VAL 6 2HG1 VAL 6 2.764 2.738 -2.209 55 HG13 VAL 6 3HG1 VAL 6 3.940 2.128 -1.045 56 HG21 VAL 6 1HG2 VAL 6 -0.001 0.562 -0.946 57 HG22 VAL 6 2HG2 VAL 6 0.379 1.831 -2.111 58 HG23 VAL 6 3HG2 VAL 6 0.327 2.201 -0.387 59 H CYS 7 HN CYS 7 4.528 0.489 -3.363 60 HA CYS 7 HA CYS 7 6.249 -0.889 -1.440 61 HB2 CYS 7 2HB CYS 7 6.758 -0.260 -4.363 62 HB3 CYS 7 1HB CYS 7 7.923 -1.006 -3.278 63 H TYR 8 HN TYR 8 7.316 0.305 -0.186 64 HA TYR 8 HA TYR 8 7.953 3.060 -0.979 65 HB2 TYR 8 2HB TYR 8 6.198 2.960 0.756 66 HB3 TYR 8 1HB TYR 8 7.256 1.960 1.745 67 HD1 TYR 8 1HD TYR 8 7.075 5.313 0.153 68 HD2 TYR 8 2HD TYR 8 8.629 2.952 3.323 69 HE1 TYR 8 1HE TYR 8 7.967 7.330 1.201 70 HE2 TYR 8 2HE TYR 8 9.529 4.946 4.391 71 HH TYR 8 HH TYR 8 8.610 8.068 3.480 72 H ARG 9 HN ARG 9 10.024 3.155 -1.356 73 HA ARG 9 HA ARG 9 12.281 2.916 -1.251 74 HB2 ARG 9 2HB ARG 9 11.835 2.227 1.664 75 HB3 ARG 9 1HB ARG 9 13.351 2.733 0.941 76 HG2 ARG 9 2HG ARG 9 12.262 4.915 0.393 77 HG3 ARG 9 1HG ARG 9 10.867 4.370 1.317 78 HD2 ARG 9 2HD ARG 9 12.385 4.011 3.267 79 HD3 ARG 9 1HD ARG 9 13.666 4.792 2.341 80 HE ARG 9 HE ARG 9 11.227 6.287 2.560 81 HH11 ARG 9 1HH1 ARG 9 14.500 5.835 3.893 82 HH12 ARG 9 2HH1 ARG 9 14.406 7.209 4.882 83 HH21 ARG 9 1HH2 ARG 9 11.129 8.128 3.946 84 HH22 ARG 9 2HH2 ARG 9 12.467 8.563 4.914 85 H GLY 10 HN GLY 10 10.657 0.587 -1.915 86 HA2 GLY 10 2HA GLY 10 11.444 -1.515 -2.678 87 HA3 GLY 10 1HA GLY 10 12.682 -1.474 -1.432 88 H ILE 11 HN ILE 11 10.278 -0.553 0.354 89 HA ILE 11 HA ILE 11 9.717 -3.221 1.358 90 HB ILE 11 HB ILE 11 8.819 -0.526 2.430 91 HG12 ILE 11 2HG1 ILE 11 11.215 -2.113 3.361 92 HG13 ILE 11 1HG1 ILE 11 11.326 -0.800 2.194 93 HG21 ILE 11 1HG2 ILE 11 7.558 -2.430 3.302 94 HG22 ILE 11 2HG2 ILE 11 8.582 -1.742 4.562 95 HG23 ILE 11 3HG2 ILE 11 9.062 -3.233 3.755 96 HD11 ILE 11 1HD1 ILE 11 10.450 0.759 3.862 97 HD12 ILE 11 2HD1 ILE 11 11.893 -0.059 4.461 98 HD13 ILE 11 3HD1 ILE 11 10.295 -0.562 5.018 99 H CYS 12 HN CYS 12 8.095 -4.170 0.250 100 HA CYS 12 HA CYS 12 5.830 -2.545 -0.615 101 HB2 CYS 12 2HB CYS 12 6.476 -5.425 -1.258 102 HB3 CYS 12 1HB CYS 12 5.195 -4.434 -1.959 103 H TYR 13 HN TYR 13 3.918 -2.573 0.329 104 HA TYR 13 HA TYR 13 3.259 -4.757 2.117 105 HB2 TYR 13 2HB TYR 13 2.622 -3.129 3.901 106 HB3 TYR 13 1HB TYR 13 4.349 -3.179 3.591 107 HD1 TYR 13 1HD TYR 13 1.363 -1.101 3.630 108 HD2 TYR 13 2HD TYR 13 5.415 -1.287 2.326 109 HE1 TYR 13 1HE TYR 13 1.395 1.331 3.367 110 HE2 TYR 13 2HE TYR 13 5.439 1.140 2.062 111 HH TYR 13 HH TYR 13 3.130 3.118 3.383 112 H ARG 14 HN ARG 14 0.998 -4.807 2.613 113 HA ARG 14 HA ARG 14 -0.602 -3.765 0.424 114 HB2 ARG 14 2HB ARG 14 -0.875 -6.112 1.241 115 HB3 ARG 14 1HB ARG 14 -1.464 -5.471 2.767 116 HG2 ARG 14 2HG ARG 14 -3.246 -4.273 1.361 117 HG3 ARG 14 1HG ARG 14 -2.768 -5.368 0.065 118 HD2 ARG 14 2HD ARG 14 -3.828 -6.120 2.785 119 HD3 ARG 14 1HD ARG 14 -4.662 -6.288 1.250 120 HE ARG 14 HE ARG 14 -3.007 -7.960 0.642 121 HH11 ARG 14 1HH1 ARG 14 -3.325 -7.179 4.098 122 HH12 ARG 14 2HH1 ARG 14 -2.796 -8.702 4.626 123 HH21 ARG 14 1HH2 ARG 14 -2.267 -10.057 1.415 124 HH22 ARG 14 2HH2 ARG 14 -2.170 -10.373 3.076 125 H LYS 15 HN LYS 15 -1.036 -1.689 0.709 126 HA LYS 15 HA LYS 15 -1.854 -0.710 3.321 127 HB2 LYS 15 2HB LYS 15 -0.228 0.647 2.119 128 HB3 LYS 15 1HB LYS 15 -1.282 0.725 0.722 129 HG2 LYS 15 2HG LYS 15 -1.315 2.826 1.947 130 HG3 LYS 15 1HG LYS 15 -2.896 2.049 2.013 131 HD2 LYS 15 2HD LYS 15 -2.343 1.182 4.263 132 HD3 LYS 15 1HD LYS 15 -0.797 2.030 4.185 133 HE2 LYS 15 2HE LYS 15 -3.511 3.329 4.018 134 HE3 LYS 15 1HE LYS 15 -2.523 3.257 5.472 135 HZ1 LYS 15 1HZ LYS 15 -1.737 4.616 2.939 136 HZ2 LYS 15 2HZ LYS 15 -0.840 4.565 4.362 137 HZ3 LYS 15 3HZ LYS 15 -2.310 5.373 4.328 138 H CYS 16 HN CYS 16 -3.904 -0.190 3.766 139 HA CYS 16 HA CYS 16 -5.850 -0.557 1.624 140 HB2 CYS 16 2HB CYS 16 -6.196 -0.900 4.610 141 HB3 CYS 16 1HB CYS 16 -7.488 -1.039 3.427 142 H ARG 17 HN ARG 17 -6.904 1.105 0.970 143 HA ARG 17 HA ARG 17 -7.030 3.465 2.692 144 HB2 ARG 17 2HB ARG 17 -5.852 3.802 0.495 145 HB3 ARG 17 1HB ARG 17 -7.299 3.258 -0.337 146 HG2 ARG 17 2HG ARG 17 -7.171 5.663 -0.433 147 HG3 ARG 17 1HG ARG 17 -8.521 5.196 0.602 148 HD2 ARG 17 2HD ARG 17 -7.098 5.564 2.580 149 HD3 ARG 17 1HD ARG 17 -5.788 6.075 1.524 150 HE ARG 17 HE ARG 17 -7.888 7.684 0.860 151 HH11 ARG 17 1HH1 ARG 17 -6.076 7.031 3.798 152 HH12 ARG 17 2HH1 ARG 17 -6.383 8.546 4.511 153 HH21 ARG 17 1HH2 ARG 17 -8.307 9.779 1.821 154 HH22 ARG 17 2HH2 ARG 17 -7.673 10.153 3.350 155 H GLY 18 HN GLY 18 -8.795 2.734 3.809 156 HA2 GLY 18 2HA GLY 18 -11.003 2.507 4.242 157 HA3 GLY 18 1HA GLY 18 -11.339 3.031 2.591 Start of MODEL 17 1 H1 LYS 1 HN LYS 1 -12.228 0.601 1.568 2 HA LYS 1 HA LYS 1 -11.202 -2.013 2.435 3 HB2 LYS 1 2HB LYS 1 -13.070 -2.984 1.120 4 HB3 LYS 1 1HB LYS 1 -13.618 -1.949 2.433 5 HG2 LYS 1 2HG LYS 1 -13.943 -0.137 0.846 6 HG3 LYS 1 1HG LYS 1 -13.452 -1.208 -0.467 7 HD2 LYS 1 2HD LYS 1 -15.343 -2.639 -0.034 8 HD3 LYS 1 1HD LYS 1 -15.778 -1.674 1.381 9 HE2 LYS 1 2HE LYS 1 -15.727 -0.714 -1.475 10 HE3 LYS 1 1HE LYS 1 -17.170 -1.072 -0.528 11 HZ1 LYS 1 1HZ LYS 1 -16.753 1.278 -0.532 12 HZ2 LYS 1 2HZ LYS 1 -15.187 1.067 0.043 13 HZ3 LYS 1 3HZ LYS 1 -16.499 0.687 1.027 14 H TRP 2 HN TRP 2 -10.402 0.336 0.379 15 HA TRP 2 HA TRP 2 -9.861 -1.379 -1.912 16 HB2 TRP 2 2HB TRP 2 -10.639 1.056 -2.161 17 HB3 TRP 2 1HB TRP 2 -9.067 1.528 -1.531 18 HD1 TRP 2 1HD TRP 2 -7.069 -0.165 -3.169 19 HE1 TRP 2 1HE TRP 2 -6.854 0.063 -5.725 20 HE3 TRP 2 3HE TRP 2 -11.612 1.918 -4.182 21 HZ2 TRP 2 2HZ TRP 2 -8.394 1.022 -7.877 22 HZ3 TRP 2 3HZ TRP 2 -12.164 2.469 -6.520 23 HH2 TRP 2 2HH TRP 2 -10.582 2.027 -8.321 24 H CYS 3 HN CYS 3 -8.183 -2.672 -1.547 25 HA CYS 3 HA CYS 3 -5.922 -1.591 -0.035 26 HB2 CYS 3 2HB CYS 3 -6.776 -4.430 -0.487 27 HB3 CYS 3 1HB CYS 3 -5.350 -3.944 0.422 28 H PHE 4 HN PHE 4 -4.128 -1.251 -1.043 29 HA PHE 4 HA PHE 4 -3.610 -2.638 -3.543 30 HB2 PHE 4 2HB PHE 4 -2.771 -0.468 -4.496 31 HB3 PHE 4 1HB PHE 4 -4.505 -0.523 -4.239 32 HD1 PHE 4 1HD PHE 4 -1.459 1.230 -3.540 33 HD2 PHE 4 2HD PHE 4 -5.462 0.687 -2.205 34 HE1 PHE 4 1HE PHE 4 -1.340 3.349 -2.299 35 HE2 PHE 4 2HE PHE 4 -5.344 2.796 -0.964 36 HZ PHE 4 HZ PHE 4 -3.283 4.134 -1.008 37 H ARG 5 HN ARG 5 -1.362 -2.742 -4.082 38 HA ARG 5 HA ARG 5 0.228 -2.963 -1.673 39 HB2 ARG 5 2HB ARG 5 0.269 -4.737 -3.444 40 HB3 ARG 5 1HB ARG 5 1.051 -3.577 -4.513 41 HG2 ARG 5 2HG ARG 5 2.849 -3.347 -2.763 42 HG3 ARG 5 1HG ARG 5 2.126 -4.735 -1.955 43 HD2 ARG 5 2HD ARG 5 3.916 -5.521 -3.300 44 HD3 ARG 5 1HD ARG 5 2.414 -6.007 -4.093 45 HE ARG 5 HE ARG 5 3.511 -3.507 -4.987 46 HH11 ARG 5 1HH1 ARG 5 3.396 -6.983 -5.553 47 HH12 ARG 5 2HH1 ARG 5 4.070 -6.891 -7.115 48 HH21 ARG 5 1HH2 ARG 5 4.485 -3.369 -7.093 49 HH22 ARG 5 2HH2 ARG 5 4.735 -4.783 -7.997 50 H VAL 6 HN VAL 6 1.603 -1.493 -1.047 51 HA VAL 6 HA VAL 6 2.391 0.602 -2.938 52 HB VAL 6 HB VAL 6 2.364 0.729 0.084 53 HG11 VAL 6 1HG1 VAL 6 2.679 2.895 -1.977 54 HG12 VAL 6 2HG1 VAL 6 3.956 2.225 -0.958 55 HG13 VAL 6 3HG1 VAL 6 2.617 3.116 -0.228 56 HG21 VAL 6 1HG2 VAL 6 0.388 2.168 -0.114 57 HG22 VAL 6 2HG2 VAL 6 0.078 0.538 -0.703 58 HG23 VAL 6 3HG2 VAL 6 0.344 1.853 -1.848 59 H CYS 7 HN CYS 7 4.537 0.582 -3.396 60 HA CYS 7 HA CYS 7 6.250 -0.839 -1.509 61 HB2 CYS 7 2HB CYS 7 6.670 -0.435 -4.483 62 HB3 CYS 7 1HB CYS 7 7.842 -1.164 -3.394 63 H TYR 8 HN TYR 8 7.481 0.299 -0.358 64 HA TYR 8 HA TYR 8 8.326 2.922 -1.328 65 HB2 TYR 8 2HB TYR 8 6.643 3.166 0.407 66 HB3 TYR 8 1HB TYR 8 7.544 2.084 1.458 67 HD1 TYR 8 1HD TYR 8 8.271 5.194 -0.508 68 HD2 TYR 8 2HD TYR 8 8.630 3.119 3.180 69 HE1 TYR 8 1HE TYR 8 9.365 7.145 0.466 70 HE2 TYR 8 2HE TYR 8 9.748 5.063 4.172 71 HH TYR 8 HH TYR 8 9.700 8.096 2.666 72 H ARG 9 HN ARG 9 10.300 2.476 -1.969 73 HA ARG 9 HA ARG 9 12.531 2.141 -1.868 74 HB2 ARG 9 2HB ARG 9 12.043 2.409 1.106 75 HB3 ARG 9 1HB ARG 9 13.638 2.418 0.364 76 HG2 ARG 9 2HG ARG 9 12.930 4.404 -0.980 77 HG3 ARG 9 1HG ARG 9 11.419 4.378 -0.102 78 HD2 ARG 9 2HD ARG 9 12.473 4.863 1.953 79 HD3 ARG 9 1HD ARG 9 14.082 4.629 1.264 80 HE ARG 9 HE ARG 9 13.091 6.538 -0.304 81 HH11 ARG 9 1HH1 ARG 9 13.166 6.371 3.239 82 HH12 ARG 9 2HH1 ARG 9 13.310 8.049 3.455 83 HH21 ARG 9 1HH2 ARG 9 13.330 8.854 -0.004 84 HH22 ARG 9 2HH2 ARG 9 13.392 9.497 1.561 85 H GLY 10 HN GLY 10 10.806 -0.096 -1.958 86 HA2 GLY 10 2HA GLY 10 11.493 -2.348 -2.336 87 HA3 GLY 10 1HA GLY 10 12.739 -2.144 -1.111 88 H ILE 11 HN ILE 11 10.274 -0.776 0.319 89 HA ILE 11 HA ILE 11 9.488 -3.207 1.721 90 HB ILE 11 HB ILE 11 8.900 -0.302 2.380 91 HG12 ILE 11 2HG1 ILE 11 11.023 -2.067 3.610 92 HG13 ILE 11 1HG1 ILE 11 11.347 -0.915 2.320 93 HG21 ILE 11 1HG2 ILE 11 8.406 -1.165 4.629 94 HG22 ILE 11 2HG2 ILE 11 8.721 -2.809 4.073 95 HG23 ILE 11 3HG2 ILE 11 7.356 -1.903 3.418 96 HD11 ILE 11 1HD1 ILE 11 10.648 0.906 3.742 97 HD12 ILE 11 2HD1 ILE 11 11.922 -0.033 4.524 98 HD13 ILE 11 3HD1 ILE 11 10.240 -0.227 5.030 99 H CYS 12 HN CYS 12 7.873 -4.117 0.569 100 HA CYS 12 HA CYS 12 5.760 -2.396 -0.455 101 HB2 CYS 12 2HB CYS 12 6.275 -5.339 -0.937 102 HB3 CYS 12 1HB CYS 12 4.991 -4.391 -1.677 103 H TYR 13 HN TYR 13 3.902 -2.202 0.542 104 HA TYR 13 HA TYR 13 3.117 -4.255 2.427 105 HB2 TYR 13 2HB TYR 13 2.405 -2.462 4.020 106 HB3 TYR 13 1HB TYR 13 4.143 -2.557 3.819 107 HD1 TYR 13 1HD TYR 13 5.340 -0.746 2.567 108 HD2 TYR 13 2HD TYR 13 1.179 -0.493 3.427 109 HE1 TYR 13 1HE TYR 13 5.404 1.665 2.133 110 HE2 TYR 13 2HE TYR 13 1.232 1.911 2.989 111 HH TYR 13 HH TYR 13 3.718 3.501 1.439 112 H ARG 14 HN ARG 14 0.838 -4.281 2.757 113 HA ARG 14 HA ARG 14 -0.520 -3.253 0.393 114 HB2 ARG 14 2HB ARG 14 -0.680 -5.689 1.084 115 HB3 ARG 14 1HB ARG 14 -1.607 -5.149 2.477 116 HG2 ARG 14 2HG ARG 14 -3.271 -4.177 0.948 117 HG3 ARG 14 1HG ARG 14 -2.356 -4.815 -0.420 118 HD2 ARG 14 2HD ARG 14 -2.589 -7.091 0.624 119 HD3 ARG 14 1HD ARG 14 -3.695 -6.354 1.780 120 HE ARG 14 HE ARG 14 -4.230 -6.163 -1.085 121 HH11 ARG 14 1HH1 ARG 14 -5.155 -7.412 2.107 122 HH12 ARG 14 2HH1 ARG 14 -6.709 -7.890 1.637 123 HH21 ARG 14 1HH2 ARG 14 -6.388 -6.893 -1.750 124 HH22 ARG 14 2HH2 ARG 14 -7.421 -7.584 -0.587 125 H LYS 15 HN LYS 15 -1.079 -1.242 0.764 126 HA LYS 15 HA LYS 15 -2.050 -0.443 3.392 127 HB2 LYS 15 2HB LYS 15 -0.440 0.928 1.922 128 HB3 LYS 15 1HB LYS 15 -1.847 1.303 0.943 129 HG2 LYS 15 2HG LYS 15 -2.931 2.315 2.897 130 HG3 LYS 15 1HG LYS 15 -1.498 1.942 3.859 131 HD2 LYS 15 2HD LYS 15 -0.168 3.315 2.218 132 HD3 LYS 15 1HD LYS 15 -1.702 3.821 1.516 133 HE2 LYS 15 2HE LYS 15 -0.818 4.263 4.372 134 HE3 LYS 15 1HE LYS 15 -0.875 5.479 3.103 135 HZ1 LYS 15 1HZ LYS 15 -2.770 5.672 4.520 136 HZ2 LYS 15 2HZ LYS 15 -3.211 4.077 4.314 137 HZ3 LYS 15 3HZ LYS 15 -3.313 5.149 3.020 138 H CYS 16 HN CYS 16 -4.186 0.063 3.795 139 HA CYS 16 HA CYS 16 -6.013 -0.444 1.572 140 HB2 CYS 16 2HB CYS 16 -6.357 -1.089 4.498 141 HB3 CYS 16 1HB CYS 16 -7.635 -1.215 3.297 142 H ARG 17 HN ARG 17 -6.989 1.279 0.910 143 HA ARG 17 HA ARG 17 -7.567 3.433 2.794 144 HB2 ARG 17 2HB ARG 17 -6.603 4.067 0.596 145 HB3 ARG 17 1HB ARG 17 -7.953 3.283 -0.212 146 HG2 ARG 17 2HG ARG 17 -9.491 4.892 0.855 147 HG3 ARG 17 1HG ARG 17 -8.098 5.705 1.576 148 HD2 ARG 17 2HD ARG 17 -7.203 6.136 -0.647 149 HD3 ARG 17 1HD ARG 17 -8.583 5.306 -1.360 150 HE ARG 17 HE ARG 17 -9.419 7.425 0.317 151 HH11 ARG 17 1HH1 ARG 17 -8.048 6.747 -2.877 152 HH12 ARG 17 2HH1 ARG 17 -8.670 8.151 -3.600 153 HH21 ARG 17 1HH2 ARG 17 -10.293 9.399 -0.714 154 HH22 ARG 17 2HH2 ARG 17 -9.955 9.668 -2.352 155 H GLY 18 HN GLY 18 -9.216 2.662 3.968 156 HA2 GLY 18 2HA GLY 18 -11.337 1.979 4.459 157 HA3 GLY 18 1HA GLY 18 -11.778 2.298 2.776 Start of MODEL 18 1 H1 LYS 1 HN LYS 1 -11.865 1.645 0.975 2 HA LYS 1 HA LYS 1 -12.714 -1.158 1.322 3 HB2 LYS 1 2HB LYS 1 -13.343 0.730 -0.935 4 HB3 LYS 1 1HB LYS 1 -13.935 -0.909 -0.747 5 HG2 LYS 1 2HG LYS 1 -15.182 -0.247 1.224 6 HG3 LYS 1 1HG LYS 1 -14.556 1.396 1.072 7 HD2 LYS 1 2HD LYS 1 -15.551 1.542 -1.173 8 HD3 LYS 1 1HD LYS 1 -16.266 -0.054 -0.943 9 HE2 LYS 1 2HE LYS 1 -17.518 0.778 0.964 10 HE3 LYS 1 1HE LYS 1 -16.783 2.365 0.776 11 HZ1 LYS 1 1HZ LYS 1 -18.970 2.321 -0.190 12 HZ2 LYS 1 2HZ LYS 1 -18.573 1.039 -1.197 13 HZ3 LYS 1 3HZ LYS 1 -17.823 2.535 -1.406 14 H TRP 2 HN TRP 2 -10.297 0.885 0.046 15 HA TRP 2 HA TRP 2 -9.685 -1.021 -2.082 16 HB2 TRP 2 2HB TRP 2 -10.005 1.437 -2.573 17 HB3 TRP 2 1HB TRP 2 -8.503 1.719 -1.700 18 HD1 TRP 2 1HD TRP 2 -6.342 0.178 -2.800 19 HE1 TRP 2 1HE TRP 2 -5.756 -0.057 -5.322 20 HE3 TRP 2 3HE TRP 2 -10.843 1.454 -4.824 21 HZ2 TRP 2 2HZ TRP 2 -7.029 0.244 -7.789 22 HZ3 TRP 2 3HZ TRP 2 -11.082 1.449 -7.277 23 HH2 TRP 2 2HH TRP 2 -9.216 0.859 -8.722 24 H CYS 3 HN CYS 3 -8.153 -2.416 -1.683 25 HA CYS 3 HA CYS 3 -5.926 -1.685 0.085 26 HB2 CYS 3 2HB CYS 3 -7.110 -4.342 -0.615 27 HB3 CYS 3 1HB CYS 3 -5.608 -4.170 0.293 28 H PHE 4 HN PHE 4 -3.986 -1.626 -0.861 29 HA PHE 4 HA PHE 4 -3.617 -3.010 -3.370 30 HB2 PHE 4 2HB PHE 4 -2.808 -1.018 -4.536 31 HB3 PHE 4 1HB PHE 4 -4.475 -0.807 -4.037 32 HD1 PHE 4 1HD PHE 4 -4.694 0.410 -1.623 33 HD2 PHE 4 2HD PHE 4 -1.400 0.734 -4.286 34 HE1 PHE 4 1HE PHE 4 -4.102 2.560 -0.613 35 HE2 PHE 4 2HE PHE 4 -0.798 2.875 -3.281 36 HZ PHE 4 HZ PHE 4 -2.145 3.803 -1.432 37 H ARG 5 HN ARG 5 -1.275 -2.669 -4.079 38 HA ARG 5 HA ARG 5 0.319 -3.180 -1.712 39 HB2 ARG 5 2HB ARG 5 0.260 -4.693 -3.782 40 HB3 ARG 5 1HB ARG 5 1.160 -3.421 -4.584 41 HG2 ARG 5 2HG ARG 5 2.958 -3.624 -2.967 42 HG3 ARG 5 1HG ARG 5 2.064 -4.885 -2.118 43 HD2 ARG 5 2HD ARG 5 2.070 -6.175 -4.285 44 HD3 ARG 5 1HD ARG 5 3.218 -4.980 -4.893 45 HE ARG 5 HE ARG 5 3.809 -6.331 -2.402 46 HH11 ARG 5 1HH1 ARG 5 4.553 -5.972 -5.828 47 HH12 ARG 5 2HH1 ARG 5 6.030 -6.816 -5.755 48 HH21 ARG 5 1HH2 ARG 5 5.815 -7.540 -2.287 49 HH22 ARG 5 2HH2 ARG 5 6.765 -7.704 -3.700 50 H VAL 6 HN VAL 6 1.749 -1.758 -1.010 51 HA VAL 6 HA VAL 6 2.414 0.508 -2.754 52 HB VAL 6 HB VAL 6 2.473 0.466 0.275 53 HG11 VAL 6 1HG1 VAL 6 4.052 2.029 -0.711 54 HG12 VAL 6 2HG1 VAL 6 2.736 2.894 0.083 55 HG13 VAL 6 3HG1 VAL 6 2.761 2.746 -1.674 56 HG21 VAL 6 1HG2 VAL 6 0.172 0.325 -0.489 57 HG22 VAL 6 2HG2 VAL 6 0.425 1.713 -1.547 58 HG23 VAL 6 3HG2 VAL 6 0.499 1.913 0.204 59 H CYS 7 HN CYS 7 4.381 0.247 -3.496 60 HA CYS 7 HA CYS 7 6.377 -0.948 -1.731 61 HB2 CYS 7 2HB CYS 7 6.281 -0.710 -4.743 62 HB3 CYS 7 1HB CYS 7 7.710 -1.214 -3.848 63 H TYR 8 HN TYR 8 7.673 0.345 -0.823 64 HA TYR 8 HA TYR 8 8.494 2.821 -2.134 65 HB2 TYR 8 2HB TYR 8 6.604 3.456 -0.775 66 HB3 TYR 8 1HB TYR 8 7.247 2.567 0.597 67 HD1 TYR 8 1HD TYR 8 8.159 3.843 2.265 68 HD2 TYR 8 2HD TYR 8 8.382 5.288 -1.724 69 HE1 TYR 8 1HE TYR 8 9.278 5.860 3.065 70 HE2 TYR 8 2HE TYR 8 9.490 7.307 -0.939 71 HH TYR 8 HH TYR 8 9.761 8.608 1.055 72 H ARG 9 HN ARG 9 10.606 2.625 -2.229 73 HA ARG 9 HA ARG 9 12.799 2.442 -1.681 74 HB2 ARG 9 2HB ARG 9 11.803 2.468 1.177 75 HB3 ARG 9 1HB ARG 9 13.492 2.605 0.704 76 HG2 ARG 9 2HG ARG 9 12.929 4.693 -0.488 77 HG3 ARG 9 1HG ARG 9 11.270 4.543 0.103 78 HD2 ARG 9 2HD ARG 9 13.752 4.783 1.789 79 HD3 ARG 9 1HD ARG 9 12.556 6.048 1.513 80 HE ARG 9 HE ARG 9 10.994 4.268 2.556 81 HH11 ARG 9 1HH1 ARG 9 14.315 4.988 3.549 82 HH12 ARG 9 2HH1 ARG 9 14.070 4.627 5.191 83 HH21 ARG 9 1HH2 ARG 9 10.641 3.778 4.852 84 HH22 ARG 9 2HH2 ARG 9 11.929 3.920 5.943 85 H GLY 10 HN GLY 10 11.000 0.106 -1.930 86 HA2 GLY 10 2HA GLY 10 11.730 -2.115 -2.246 87 HA3 GLY 10 1HA GLY 10 12.876 -1.896 -0.928 88 H ILE 11 HN ILE 11 10.352 -0.472 0.299 89 HA ILE 11 HA ILE 11 9.549 -2.797 1.842 90 HB ILE 11 HB ILE 11 8.655 0.083 2.156 91 HG12 ILE 11 2HG1 ILE 11 10.914 -1.248 3.645 92 HG13 ILE 11 1HG1 ILE 11 11.165 -0.227 2.231 93 HG21 ILE 11 1HG2 ILE 11 8.754 -2.217 4.119 94 HG22 ILE 11 2HG2 ILE 11 7.305 -1.620 3.320 95 HG23 ILE 11 3HG2 ILE 11 8.167 -0.589 4.463 96 HD11 ILE 11 1HD1 ILE 11 11.521 1.024 4.292 97 HD12 ILE 11 2HD1 ILE 11 9.896 0.606 4.834 98 HD13 ILE 11 3HD1 ILE 11 10.116 1.641 3.424 99 H CYS 12 HN CYS 12 8.048 -3.915 0.749 100 HA CYS 12 HA CYS 12 5.834 -2.428 -0.454 101 HB2 CYS 12 2HB CYS 12 6.624 -5.325 -0.837 102 HB3 CYS 12 1HB CYS 12 5.255 -4.520 -1.598 103 H TYR 13 HN TYR 13 3.957 -2.358 0.561 104 HA TYR 13 HA TYR 13 3.306 -4.503 2.381 105 HB2 TYR 13 2HB TYR 13 2.530 -2.832 4.085 106 HB3 TYR 13 1HB TYR 13 4.271 -2.902 3.876 107 HD1 TYR 13 1HD TYR 13 1.299 -0.818 3.652 108 HD2 TYR 13 2HD TYR 13 5.435 -1.046 2.694 109 HE1 TYR 13 1HE TYR 13 1.361 1.615 3.336 110 HE2 TYR 13 2HE TYR 13 5.513 1.369 2.378 111 HH TYR 13 HH TYR 13 4.027 3.214 1.895 112 H ARG 14 HN ARG 14 1.088 -4.560 2.920 113 HA ARG 14 HA ARG 14 -0.526 -3.776 0.647 114 HB2 ARG 14 2HB ARG 14 -0.514 -6.114 1.641 115 HB3 ARG 14 1HB ARG 14 -1.296 -5.428 3.053 116 HG2 ARG 14 2HG ARG 14 -2.942 -6.466 1.663 117 HG3 ARG 14 1HG ARG 14 -3.175 -4.714 1.602 118 HD2 ARG 14 2HD ARG 14 -2.043 -4.616 -0.537 119 HD3 ARG 14 1HD ARG 14 -1.676 -6.339 -0.438 120 HE ARG 14 HE ARG 14 -4.424 -6.040 -0.239 121 HH11 ARG 14 1HH1 ARG 14 -1.856 -5.730 -2.627 122 HH12 ARG 14 2HH1 ARG 14 -2.869 -5.903 -3.977 123 HH21 ARG 14 1HH2 ARG 14 -5.837 -6.324 -2.064 124 HH22 ARG 14 2HH2 ARG 14 -5.233 -6.245 -3.649 125 H LYS 15 HN LYS 15 -1.058 -1.681 0.902 126 HA LYS 15 HA LYS 15 -2.001 -0.765 3.506 127 HB2 LYS 15 2HB LYS 15 -0.443 0.683 2.266 128 HB3 LYS 15 1HB LYS 15 -1.598 0.782 0.947 129 HG2 LYS 15 2HG LYS 15 -3.182 1.937 2.402 130 HG3 LYS 15 1HG LYS 15 -2.041 1.813 3.742 131 HD2 LYS 15 2HD LYS 15 -0.422 3.137 2.488 132 HD3 LYS 15 1HD LYS 15 -1.556 3.269 1.145 133 HE2 LYS 15 2HE LYS 15 -1.595 5.302 2.483 134 HE3 LYS 15 1HE LYS 15 -3.133 4.458 2.612 135 HZ1 LYS 15 1HZ LYS 15 -0.951 4.374 4.634 136 HZ2 LYS 15 2HZ LYS 15 -2.456 3.622 4.782 137 HZ3 LYS 15 3HZ LYS 15 -2.356 5.280 4.754 138 H CYS 16 HN CYS 16 -4.048 -0.468 3.977 139 HA CYS 16 HA CYS 16 -6.016 -0.704 1.825 140 HB2 CYS 16 2HB CYS 16 -6.199 -1.605 4.700 141 HB3 CYS 16 1HB CYS 16 -7.576 -1.528 3.604 142 H ARG 17 HN ARG 17 -7.422 0.863 1.586 143 HA ARG 17 HA ARG 17 -7.625 2.922 3.670 144 HB2 ARG 17 2HB ARG 17 -7.687 3.346 0.707 145 HB3 ARG 17 1HB ARG 17 -7.748 4.597 1.934 146 HG2 ARG 17 2HG ARG 17 -5.416 4.066 2.548 147 HG3 ARG 17 1HG ARG 17 -5.389 2.830 1.291 148 HD2 ARG 17 2HD ARG 17 -5.752 5.800 0.902 149 HD3 ARG 17 1HD ARG 17 -4.350 4.830 0.445 150 HE ARG 17 HE ARG 17 -6.870 4.027 -0.732 151 HH11 ARG 17 1HH1 ARG 17 -3.950 5.966 -1.227 152 HH12 ARG 17 2HH1 ARG 17 -4.149 6.030 -2.922 153 HH21 ARG 17 1HH2 ARG 17 -7.114 4.133 -3.033 154 HH22 ARG 17 2HH2 ARG 17 -5.959 4.987 -3.937 155 H GLY 18 HN GLY 18 -9.584 1.996 4.356 156 HA2 GLY 18 2HA GLY 18 -11.877 2.022 4.423 157 HA3 GLY 18 1HA GLY 18 -11.871 2.848 2.871 Start of MODEL 19 1 H1 LYS 1 HN LYS 1 -12.043 1.341 1.016 2 HA LYS 1 HA LYS 1 -12.210 -1.339 2.216 3 HB2 LYS 1 2HB LYS 1 -13.659 -0.233 -0.187 4 HB3 LYS 1 1HB LYS 1 -13.794 -1.872 0.426 5 HG2 LYS 1 2HG LYS 1 -14.701 -0.964 2.529 6 HG3 LYS 1 1HG LYS 1 -14.639 0.648 1.828 7 HD2 LYS 1 2HD LYS 1 -16.891 -0.226 1.611 8 HD3 LYS 1 1HD LYS 1 -16.149 -0.095 0.021 9 HE2 LYS 1 2HE LYS 1 -17.399 -2.194 0.262 10 HE3 LYS 1 1HE LYS 1 -15.689 -2.499 0.014 11 HZ1 LYS 1 1HZ LYS 1 -15.442 -2.928 2.368 12 HZ2 LYS 1 2HZ LYS 1 -16.661 -3.897 1.752 13 HZ3 LYS 1 3HZ LYS 1 -17.055 -2.534 2.658 14 H TRP 2 HN TRP 2 -10.414 0.581 0.126 15 HA TRP 2 HA TRP 2 -9.909 -1.553 -1.775 16 HB2 TRP 2 2HB TRP 2 -10.286 0.841 -2.482 17 HB3 TRP 2 1HB TRP 2 -8.739 1.226 -1.738 18 HD1 TRP 2 1HD TRP 2 -6.587 -0.221 -2.862 19 HE1 TRP 2 1HE TRP 2 -6.197 -0.743 -5.387 20 HE3 TRP 2 3HE TRP 2 -11.334 0.378 -4.540 21 HZ2 TRP 2 2HZ TRP 2 -7.736 -0.892 -7.723 22 HZ3 TRP 2 3HZ TRP 2 -11.805 0.014 -6.914 23 HH2 TRP 2 2HH TRP 2 -10.027 -0.611 -8.465 24 H CYS 3 HN CYS 3 -8.206 -2.812 -1.568 25 HA CYS 3 HA CYS 3 -6.002 -1.905 0.135 26 HB2 CYS 3 2HB CYS 3 -7.081 -4.633 -0.376 27 HB3 CYS 3 1HB CYS 3 -5.547 -4.367 0.457 28 H PHE 4 HN PHE 4 -4.093 -1.722 -0.799 29 HA PHE 4 HA PHE 4 -3.578 -3.113 -3.276 30 HB2 PHE 4 2HB PHE 4 -2.857 -1.020 -4.396 31 HB3 PHE 4 1HB PHE 4 -4.574 -1.029 -4.047 32 HD1 PHE 4 1HD PHE 4 -1.714 0.917 -4.043 33 HD2 PHE 4 2HD PHE 4 -5.145 0.150 -1.652 34 HE1 PHE 4 1HE PHE 4 -1.499 3.137 -3.007 35 HE2 PHE 4 2HE PHE 4 -4.937 2.354 -0.619 36 HZ PHE 4 HZ PHE 4 -3.124 3.858 -1.289 37 H ARG 5 HN ARG 5 -1.218 -2.721 -3.893 38 HA ARG 5 HA ARG 5 0.245 -2.821 -1.374 39 HB2 ARG 5 2HB ARG 5 0.298 -4.833 -2.765 40 HB3 ARG 5 1HB ARG 5 0.967 -3.899 -4.088 41 HG2 ARG 5 2HG ARG 5 2.969 -3.453 -2.735 42 HG3 ARG 5 1HG ARG 5 2.290 -4.441 -1.437 43 HD2 ARG 5 2HD ARG 5 2.947 -5.359 -4.232 44 HD3 ARG 5 1HD ARG 5 3.846 -5.752 -2.772 45 HE ARG 5 HE ARG 5 1.804 -6.871 -1.988 46 HH11 ARG 5 1HH1 ARG 5 2.349 -6.473 -5.464 47 HH12 ARG 5 2HH1 ARG 5 1.384 -7.789 -5.931 48 HH21 ARG 5 1HH2 ARG 5 0.472 -8.721 -2.639 49 HH22 ARG 5 2HH2 ARG 5 0.333 -9.110 -4.302 50 H VAL 6 HN VAL 6 1.567 -1.282 -0.896 51 HA VAL 6 HA VAL 6 2.365 0.639 -2.970 52 HB VAL 6 HB VAL 6 2.436 0.996 0.042 53 HG11 VAL 6 1HG1 VAL 6 3.969 2.445 -1.147 54 HG12 VAL 6 2HG1 VAL 6 2.644 3.383 -0.458 55 HG13 VAL 6 3HG1 VAL 6 2.659 3.014 -2.183 56 HG21 VAL 6 1HG2 VAL 6 0.309 1.954 -1.876 57 HG22 VAL 6 2HG2 VAL 6 0.420 2.389 -0.170 58 HG23 VAL 6 3HG2 VAL 6 0.114 0.719 -0.633 59 H CYS 7 HN CYS 7 4.527 0.793 -3.378 60 HA CYS 7 HA CYS 7 6.286 -0.714 -1.590 61 HB2 CYS 7 2HB CYS 7 6.594 -0.195 -4.555 62 HB3 CYS 7 1HB CYS 7 7.826 -0.945 -3.546 63 H TYR 8 HN TYR 8 7.557 0.403 -0.442 64 HA TYR 8 HA TYR 8 8.409 3.078 -1.328 65 HB2 TYR 8 2HB TYR 8 6.557 3.204 0.319 66 HB3 TYR 8 1HB TYR 8 7.488 2.205 1.420 67 HD1 TYR 8 1HD TYR 8 7.292 5.538 -0.174 68 HD2 TYR 8 2HD TYR 8 9.142 3.166 2.832 69 HE1 TYR 8 1HE TYR 8 8.206 7.558 0.842 70 HE2 TYR 8 2HE TYR 8 10.063 5.159 3.859 71 HH TYR 8 HH TYR 8 9.010 8.269 3.120 72 H ARG 9 HN ARG 9 10.556 2.856 -1.650 73 HA ARG 9 HA ARG 9 12.748 2.417 -1.357 74 HB2 ARG 9 2HB ARG 9 12.031 1.977 1.556 75 HB3 ARG 9 1HB ARG 9 13.650 2.247 0.932 76 HG2 ARG 9 2HG ARG 9 12.906 4.484 0.140 77 HG3 ARG 9 1HG ARG 9 11.352 4.185 0.905 78 HD2 ARG 9 2HD ARG 9 12.551 3.896 3.074 79 HD3 ARG 9 1HD ARG 9 14.033 4.413 2.265 80 HE ARG 9 HE ARG 9 11.784 6.175 1.960 81 HH11 ARG 9 1HH1 ARG 9 14.778 5.581 3.769 82 HH12 ARG 9 2HH1 ARG 9 14.754 7.086 4.555 83 HH21 ARG 9 1HH2 ARG 9 11.736 8.203 3.073 84 HH22 ARG 9 2HH2 ARG 9 12.999 8.656 4.115 85 H GLY 10 HN GLY 10 10.828 0.256 -1.917 86 HA2 GLY 10 2HA GLY 10 11.398 -1.940 -2.622 87 HA3 GLY 10 1HA GLY 10 12.653 -1.969 -1.382 88 H ILE 11 HN ILE 11 10.371 -0.708 0.311 89 HA ILE 11 HA ILE 11 9.556 -3.211 1.485 90 HB ILE 11 HB ILE 11 8.858 -0.368 2.294 91 HG12 ILE 11 2HG1 ILE 11 11.057 -2.086 3.455 92 HG13 ILE 11 1HG1 ILE 11 11.339 -0.886 2.197 93 HG21 ILE 11 1HG2 ILE 11 8.791 -2.962 3.848 94 HG22 ILE 11 2HG2 ILE 11 7.389 -2.073 3.257 95 HG23 ILE 11 3HG2 ILE 11 8.420 -1.367 4.503 96 HD11 ILE 11 1HD1 ILE 11 10.237 -0.335 4.952 97 HD12 ILE 11 2HD1 ILE 11 10.554 0.875 3.710 98 HD13 ILE 11 3HD1 ILE 11 11.890 -0.025 4.424 99 H CYS 12 HN CYS 12 7.906 -4.126 0.414 100 HA CYS 12 HA CYS 12 5.774 -2.385 -0.549 101 HB2 CYS 12 2HB CYS 12 6.302 -5.286 -1.252 102 HB3 CYS 12 1HB CYS 12 5.029 -4.255 -1.898 103 H TYR 13 HN TYR 13 3.920 -2.306 0.445 104 HA TYR 13 HA TYR 13 3.234 -4.433 2.292 105 HB2 TYR 13 2HB TYR 13 2.561 -2.674 3.960 106 HB3 TYR 13 1HB TYR 13 4.294 -2.805 3.703 107 HD1 TYR 13 1HD TYR 13 1.384 -0.648 3.470 108 HD2 TYR 13 2HD TYR 13 5.485 -1.013 2.400 109 HE1 TYR 13 1HE TYR 13 1.487 1.757 3.046 110 HE2 TYR 13 2HE TYR 13 5.593 1.394 1.968 111 HH TYR 13 HH TYR 13 3.169 3.510 2.994 112 H ARG 14 HN ARG 14 1.050 -4.690 2.593 113 HA ARG 14 HA ARG 14 -0.555 -3.653 0.438 114 HB2 ARG 14 2HB ARG 14 -0.579 -6.076 1.281 115 HB3 ARG 14 1HB ARG 14 -1.437 -5.464 2.686 116 HG2 ARG 14 2HG ARG 14 -3.224 -4.647 1.220 117 HG3 ARG 14 1HG ARG 14 -2.365 -5.307 -0.174 118 HD2 ARG 14 2HD ARG 14 -2.455 -7.547 0.963 119 HD3 ARG 14 1HD ARG 14 -3.532 -6.819 2.152 120 HE ARG 14 HE ARG 14 -4.110 -6.952 -0.723 121 HH11 ARG 14 1HH1 ARG 14 -5.228 -7.217 2.644 122 HH12 ARG 14 2HH1 ARG 14 -6.818 -7.643 2.236 123 HH21 ARG 14 1HH2 ARG 14 -6.326 -7.528 -1.266 124 HH22 ARG 14 2HH2 ARG 14 -7.454 -7.853 -0.036 125 H LYS 15 HN LYS 15 -1.081 -1.641 0.798 126 HA LYS 15 HA LYS 15 -1.919 -0.796 3.449 127 HB2 LYS 15 2HB LYS 15 -0.266 0.564 2.121 128 HB3 LYS 15 1HB LYS 15 -1.545 0.876 0.960 129 HG2 LYS 15 2HG LYS 15 -2.856 1.985 2.723 130 HG3 LYS 15 1HG LYS 15 -1.534 1.701 3.854 131 HD2 LYS 15 2HD LYS 15 -0.045 3.011 2.373 132 HD3 LYS 15 1HD LYS 15 -1.439 3.364 1.353 133 HE2 LYS 15 2HE LYS 15 -1.050 5.226 2.855 134 HE3 LYS 15 1HE LYS 15 -2.555 4.416 3.279 135 HZ1 LYS 15 1HZ LYS 15 -1.407 3.301 5.098 136 HZ2 LYS 15 2HZ LYS 15 -1.230 4.967 5.235 137 HZ3 LYS 15 3HZ LYS 15 0.045 4.043 4.666 138 H CYS 16 HN CYS 16 -3.987 -0.219 3.845 139 HA CYS 16 HA CYS 16 -5.846 -0.556 1.613 140 HB2 CYS 16 2HB CYS 16 -6.335 -1.189 4.526 141 HB3 CYS 16 1HB CYS 16 -7.550 -1.283 3.258 142 H ARG 17 HN ARG 17 -7.208 0.949 1.173 143 HA ARG 17 HA ARG 17 -7.427 3.248 2.967 144 HB2 ARG 17 2HB ARG 17 -6.098 3.836 0.985 145 HB3 ARG 17 1HB ARG 17 -7.351 3.200 -0.066 146 HG2 ARG 17 2HG ARG 17 -7.426 5.616 -0.034 147 HG3 ARG 17 1HG ARG 17 -8.878 4.950 0.714 148 HD2 ARG 17 2HD ARG 17 -7.868 5.336 2.938 149 HD3 ARG 17 1HD ARG 17 -6.471 6.062 2.139 150 HE ARG 17 HE ARG 17 -8.811 7.328 1.271 151 HH11 ARG 17 1HH1 ARG 17 -6.693 7.187 4.128 152 HH12 ARG 17 2HH1 ARG 17 -7.221 8.694 4.739 153 HH21 ARG 17 1HH2 ARG 17 -9.510 9.392 2.166 154 HH22 ARG 17 2HH2 ARG 17 -8.827 9.952 3.628 155 H GLY 18 HN GLY 18 -9.330 2.813 3.887 156 HA2 GLY 18 2HA GLY 18 -11.600 2.726 4.079 157 HA3 GLY 18 1HA GLY 18 -11.711 3.001 2.342 Start of MODEL 20 1 H1 LYS 1 HN LYS 1 -11.003 2.416 0.671 2 HA LYS 1 HA LYS 1 -12.396 -0.034 1.515 3 HB2 LYS 1 2HB LYS 1 -12.823 1.608 -0.976 4 HB3 LYS 1 1HB LYS 1 -13.705 0.166 -0.499 5 HG2 LYS 1 2HG LYS 1 -14.609 1.334 1.428 6 HG3 LYS 1 1HG LYS 1 -13.702 2.778 0.985 7 HD2 LYS 1 2HD LYS 1 -14.897 2.936 -1.117 8 HD3 LYS 1 1HD LYS 1 -15.772 1.452 -0.759 9 HE2 LYS 1 2HE LYS 1 -15.929 4.024 0.818 10 HE3 LYS 1 1HE LYS 1 -17.128 3.451 -0.338 11 HZ1 LYS 1 1HZ LYS 1 -17.837 2.938 1.874 12 HZ2 LYS 1 2HZ LYS 1 -16.403 2.165 2.243 13 HZ3 LYS 1 3HZ LYS 1 -17.446 1.490 1.109 14 H TRP 2 HN TRP 2 -9.590 1.093 -0.022 15 HA TRP 2 HA TRP 2 -9.575 -1.222 -1.805 16 HB2 TRP 2 2HB TRP 2 -9.460 1.224 -2.698 17 HB3 TRP 2 1HB TRP 2 -7.802 1.167 -2.123 18 HD1 TRP 2 1HD TRP 2 -6.501 -1.243 -3.119 19 HE1 TRP 2 1HE TRP 2 -6.443 -2.010 -5.595 20 HE3 TRP 2 3HE TRP 2 -10.513 1.367 -4.807 21 HZ2 TRP 2 2HZ TRP 2 -7.927 -1.496 -7.955 22 HZ3 TRP 2 3HZ TRP 2 -11.136 1.195 -7.173 23 HH2 TRP 2 2HH TRP 2 -9.868 -0.206 -8.711 24 H CYS 3 HN CYS 3 -8.042 -2.667 -1.494 25 HA CYS 3 HA CYS 3 -5.770 -2.042 0.252 26 HB2 CYS 3 2HB CYS 3 -7.183 -4.677 -0.210 27 HB3 CYS 3 1HB CYS 3 -5.723 -4.472 0.751 28 H PHE 4 HN PHE 4 -3.942 -1.985 -0.843 29 HA PHE 4 HA PHE 4 -3.584 -3.797 -3.059 30 HB2 PHE 4 2HB PHE 4 -2.848 -2.009 -4.597 31 HB3 PHE 4 1HB PHE 4 -4.539 -1.847 -4.168 32 HD1 PHE 4 1HD PHE 4 -5.038 -0.115 -2.216 33 HD2 PHE 4 2HD PHE 4 -1.467 -0.172 -4.531 34 HE1 PHE 4 1HE PHE 4 -4.656 2.246 -1.673 35 HE2 PHE 4 2HE PHE 4 -1.076 2.191 -3.977 36 HZ PHE 4 HZ PHE 4 -2.670 3.403 -2.549 37 H ARG 5 HN ARG 5 -1.342 -3.753 -3.818 38 HA ARG 5 HA ARG 5 0.376 -3.619 -1.538 39 HB2 ARG 5 2HB ARG 5 0.621 -5.494 -3.057 40 HB3 ARG 5 1HB ARG 5 0.934 -4.404 -4.395 41 HG2 ARG 5 2HG ARG 5 3.023 -3.728 -3.458 42 HG3 ARG 5 1HG ARG 5 2.690 -4.602 -1.961 43 HD2 ARG 5 2HD ARG 5 2.931 -5.872 -4.666 44 HD3 ARG 5 1HD ARG 5 4.253 -5.781 -3.497 45 HE ARG 5 HE ARG 5 1.864 -6.942 -2.427 46 HH11 ARG 5 1HH1 ARG 5 4.710 -7.732 -4.379 47 HH12 ARG 5 2HH1 ARG 5 4.783 -9.350 -3.847 48 HH21 ARG 5 1HH2 ARG 5 1.991 -9.152 -1.693 49 HH22 ARG 5 2HH2 ARG 5 3.221 -10.162 -2.267 50 H VAL 6 HN VAL 6 1.472 -2.013 -0.986 51 HA VAL 6 HA VAL 6 1.973 0.167 -2.876 52 HB VAL 6 HB VAL 6 1.864 0.225 0.162 53 HG11 VAL 6 1HG1 VAL 6 2.246 2.487 -1.799 54 HG12 VAL 6 2HG1 VAL 6 3.463 1.850 -0.698 55 HG13 VAL 6 3HG1 VAL 6 2.037 2.669 -0.057 56 HG21 VAL 6 1HG2 VAL 6 -0.152 1.591 -0.123 57 HG22 VAL 6 2HG2 VAL 6 -0.349 -0.023 -0.815 58 HG23 VAL 6 3HG2 VAL 6 -0.053 1.357 -1.867 59 H CYS 7 HN CYS 7 4.063 0.498 -3.342 60 HA CYS 7 HA CYS 7 6.003 -0.776 -1.582 61 HB2 CYS 7 2HB CYS 7 6.217 -0.103 -4.527 62 HB3 CYS 7 1HB CYS 7 7.563 -0.661 -3.540 63 H TYR 8 HN TYR 8 7.035 0.485 -0.374 64 HA TYR 8 HA TYR 8 7.393 3.295 -1.140 65 HB2 TYR 8 2HB TYR 8 5.609 2.970 0.563 66 HB3 TYR 8 1HB TYR 8 6.770 2.156 1.594 67 HD1 TYR 8 1HD TYR 8 8.329 3.425 2.921 68 HD2 TYR 8 2HD TYR 8 5.772 5.388 0.155 69 HE1 TYR 8 1HE TYR 8 8.895 5.575 3.937 70 HE2 TYR 8 2HE TYR 8 6.334 7.550 1.157 71 HH TYR 8 HH TYR 8 7.164 8.382 3.375 72 H ARG 9 HN ARG 9 9.510 3.250 -1.694 73 HA ARG 9 HA ARG 9 11.759 3.262 -1.491 74 HB2 ARG 9 2HB ARG 9 11.295 2.913 1.482 75 HB3 ARG 9 1HB ARG 9 12.767 3.489 0.724 76 HG2 ARG 9 2HG ARG 9 11.481 5.480 -0.085 77 HG3 ARG 9 1HG ARG 9 10.106 4.892 0.842 78 HD2 ARG 9 2HD ARG 9 11.556 4.885 2.861 79 HD3 ARG 9 1HD ARG 9 12.798 5.701 1.915 80 HE ARG 9 HE ARG 9 10.277 7.027 1.837 81 HH11 ARG 9 1HH1 ARG 9 13.325 6.780 3.639 82 HH12 ARG 9 2HH1 ARG 9 13.045 8.155 4.589 83 HH21 ARG 9 1HH2 ARG 9 9.854 8.880 3.229 84 HH22 ARG 9 2HH2 ARG 9 11.014 9.379 4.354 85 H GLY 10 HN GLY 10 10.326 0.774 -1.854 86 HA2 GLY 10 2HA GLY 10 11.360 -1.324 -2.389 87 HA3 GLY 10 1HA GLY 10 12.476 -1.059 -1.052 88 H ILE 11 HN ILE 11 9.957 -0.141 0.462 89 HA ILE 11 HA ILE 11 9.443 -2.740 1.615 90 HB ILE 11 HB ILE 11 8.292 -0.033 2.376 91 HG12 ILE 11 2HG1 ILE 11 10.644 -1.452 3.634 92 HG13 ILE 11 1HG1 ILE 11 10.809 -0.176 2.434 93 HG21 ILE 11 1HG2 ILE 11 8.493 -2.631 3.922 94 HG22 ILE 11 2HG2 ILE 11 7.018 -1.936 3.254 95 HG23 ILE 11 3HG2 ILE 11 7.869 -1.110 4.558 96 HD11 ILE 11 1HD1 ILE 11 11.120 0.661 4.701 97 HD12 ILE 11 2HD1 ILE 11 9.511 0.084 5.141 98 HD13 ILE 11 3HD1 ILE 11 9.692 1.378 3.956 99 H CYS 12 HN CYS 12 8.064 -3.897 0.403 100 HA CYS 12 HA CYS 12 5.690 -2.530 -0.615 101 HB2 CYS 12 2HB CYS 12 6.769 -5.254 -1.376 102 HB3 CYS 12 1HB CYS 12 5.339 -4.457 -2.045 103 H TYR 13 HN TYR 13 3.865 -2.750 0.376 104 HA TYR 13 HA TYR 13 3.348 -5.142 1.926 105 HB2 TYR 13 2HB TYR 13 2.613 -3.752 3.862 106 HB3 TYR 13 1HB TYR 13 4.342 -3.698 3.571 107 HD1 TYR 13 1HD TYR 13 1.445 -1.767 4.219 108 HD2 TYR 13 2HD TYR 13 5.174 -1.589 2.172 109 HE1 TYR 13 1HE TYR 13 1.379 0.682 4.291 110 HE2 TYR 13 2HE TYR 13 5.101 0.849 2.234 111 HH TYR 13 HH TYR 13 3.040 2.539 4.239 112 H ARG 14 HN ARG 14 1.110 -5.406 2.414 113 HA ARG 14 HA ARG 14 -0.571 -4.237 0.379 114 HB2 ARG 14 2HB ARG 14 -0.736 -6.649 0.898 115 HB3 ARG 14 1HB ARG 14 -1.207 -6.257 2.543 116 HG2 ARG 14 2HG ARG 14 -3.234 -5.166 1.697 117 HG3 ARG 14 1HG ARG 14 -2.767 -5.599 0.051 118 HD2 ARG 14 2HD ARG 14 -4.381 -7.180 0.900 119 HD3 ARG 14 1HD ARG 14 -2.825 -7.975 0.681 120 HE ARG 14 HE ARG 14 -3.756 -7.002 3.295 121 HH11 ARG 14 1HH1 ARG 14 -2.290 -9.556 1.333 122 HH12 ARG 14 2HH1 ARG 14 -2.259 -10.705 2.577 123 HH21 ARG 14 1HH2 ARG 14 -3.691 -8.590 5.036 124 HH22 ARG 14 2HH2 ARG 14 -3.057 -10.126 4.742 125 H LYS 15 HN LYS 15 -1.127 -2.251 0.825 126 HA LYS 15 HA LYS 15 -1.887 -1.592 3.559 127 HB2 LYS 15 2HB LYS 15 -0.068 -0.263 2.608 128 HB3 LYS 15 1HB LYS 15 -1.079 0.174 1.247 129 HG2 LYS 15 2HG LYS 15 -0.880 2.005 2.839 130 HG3 LYS 15 1HG LYS 15 -2.546 1.433 2.734 131 HD2 LYS 15 2HD LYS 15 -2.268 0.177 4.781 132 HD3 LYS 15 1HD LYS 15 -0.578 0.656 4.894 133 HE2 LYS 15 2HE LYS 15 -2.010 1.995 6.376 134 HE3 LYS 15 1HE LYS 15 -1.234 2.980 5.138 135 HZ1 LYS 15 1HZ LYS 15 -3.584 3.541 5.470 136 HZ2 LYS 15 2HZ LYS 15 -4.050 2.000 4.983 137 HZ3 LYS 15 3HZ LYS 15 -3.265 3.031 3.904 138 H CYS 16 HN CYS 16 -3.898 -0.942 4.002 139 HA CYS 16 HA CYS 16 -5.809 -0.852 1.799 140 HB2 CYS 16 2HB CYS 16 -6.205 -1.422 4.741 141 HB3 CYS 16 1HB CYS 16 -7.499 -1.310 3.557 142 H ARG 17 HN ARG 17 -6.726 0.972 1.401 143 HA ARG 17 HA ARG 17 -6.660 3.053 3.440 144 HB2 ARG 17 2HB ARG 17 -4.940 3.459 1.679 145 HB3 ARG 17 1HB ARG 17 -6.211 3.433 0.473 146 HG2 ARG 17 2HG ARG 17 -7.242 5.389 1.439 147 HG3 ARG 17 1HG ARG 17 -6.054 5.397 2.742 148 HD2 ARG 17 2HD ARG 17 -4.269 5.823 1.142 149 HD3 ARG 17 1HD ARG 17 -5.428 5.729 -0.186 150 HE ARG 17 HE ARG 17 -6.449 7.599 1.457 151 HH11 ARG 17 1HH1 ARG 17 -3.308 7.333 -0.189 152 HH12 ARG 17 2HH1 ARG 17 -3.111 9.019 -0.349 153 HH21 ARG 17 1HH2 ARG 17 -6.183 9.855 1.187 154 HH22 ARG 17 2HH2 ARG 17 -4.766 10.484 0.439 155 H GLY 18 HN GLY 18 -8.696 2.967 4.035 156 HA2 GLY 18 2HA GLY 18 -10.926 3.440 3.931 157 HA3 GLY 18 1HA GLY 18 -10.699 3.884 2.249
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