NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647492 | 6u7q | 30666 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.385 -0.216 4.488 2 HA2 GLY 1 2HA GLY 1 -6.073 -1.417 5.987 3 HA3 GLY 1 1HA GLY 1 -7.334 -2.644 6.081 4 H ARG 2 H ARG 2 -5.155 -1.254 3.673 5 HA ARG 2 HA ARG 2 -4.158 -3.868 2.956 6 HB2 ARG 2 2HB ARG 2 -6.237 -3.596 1.616 7 HB3 ARG 2 1HB ARG 2 -5.621 -2.085 0.985 8 HG2 ARG 2 2HG ARG 2 -3.773 -3.335 -0.088 9 HG3 ARG 2 1HG ARG 2 -4.497 -4.838 0.496 10 HD2 ARG 2 2HD ARG 2 -6.566 -4.299 -0.720 11 HD3 ARG 2 1HD ARG 2 -5.804 -2.824 -1.313 12 HE ARG 2 HE ARG 2 -4.357 -5.222 -1.918 13 HH11 ARG 2 1HH1 ARG 2 -6.872 -3.001 -3.047 14 HH12 ARG 2 2HH1 ARG 2 -6.760 -3.501 -4.681 15 HH21 ARG 2 1HH2 ARG 2 -4.216 -5.889 -4.158 16 HH22 ARG 2 2HH2 ARG 2 -5.239 -5.146 -5.314 17 H CYS 3 H CYS 3 -2.033 -3.596 2.240 18 HA CYS 3 HA CYS 3 -1.214 -0.859 1.594 19 HB2 CYS 3 2HB CYS 3 0.283 -2.752 3.429 20 HB3 CYS 3 1HB CYS 3 0.868 -1.190 2.879 21 H THR 4 H THR 4 0.369 -0.707 0.044 22 HA THR 4 HA THR 4 0.711 -2.949 -1.651 23 HB THR 4 HB THR 4 2.273 -1.424 -2.890 24 HG1 THR 4 1HG THR 4 3.107 0.196 -1.833 25 HG21 THR 4 1HG2 THR 4 -0.358 -0.182 -2.069 26 HG22 THR 4 2HG2 THR 4 -0.111 -1.322 -3.397 27 HG23 THR 4 3HG2 THR 4 0.595 0.289 -3.473 28 H LYS 5 H LYS 5 2.411 -4.397 -1.701 29 HA LYS 5 HA LYS 5 4.280 -4.195 0.497 30 HB2 LYS 5 2HB LYS 5 4.247 -6.317 -1.662 31 HB3 LYS 5 1HB LYS 5 5.048 -6.400 -0.103 32 HG2 LYS 5 2HG LYS 5 2.095 -6.504 -0.662 33 HG3 LYS 5 1HG LYS 5 3.116 -7.782 -0.029 34 HD2 LYS 5 2HD LYS 5 2.471 -5.195 1.399 35 HD3 LYS 5 1HD LYS 5 1.685 -6.734 1.707 36 HE2 LYS 5 2HE LYS 5 3.845 -7.680 2.415 37 HE3 LYS 5 1HE LYS 5 4.615 -6.121 2.120 38 HZ1 LYS 5 1HZ LYS 5 4.075 -6.381 4.464 39 HZ2 LYS 5 2HZ LYS 5 2.470 -6.666 4.099 40 HZ3 LYS 5 3HZ LYS 5 3.136 -5.146 3.799 41 H SER 6 H SER 6 4.199 -3.796 -2.943 42 HA SER 6 HA SER 6 6.968 -3.375 -3.296 43 HB2 SER 6 2HB SER 6 6.149 -2.211 -5.400 44 HB3 SER 6 1HB SER 6 5.626 -3.887 -5.229 45 HG SER 6 HG SER 6 4.135 -1.685 -4.336 46 H ILE 7 H ILE 7 8.084 -1.673 -2.593 47 HA ILE 7 HA ILE 7 6.786 0.422 -1.191 48 HB ILE 7 HB ILE 7 9.026 1.340 -0.780 49 HG12 ILE 7 2HG1 ILE 7 10.019 -0.815 -2.677 50 HG13 ILE 7 1HG1 ILE 7 10.047 0.915 -2.984 51 HG21 ILE 7 1HG2 ILE 7 10.000 -0.613 0.361 52 HG22 ILE 7 2HG2 ILE 7 8.868 -1.654 -0.505 53 HG23 ILE 7 3HG2 ILE 7 8.264 -0.453 0.638 54 HD11 ILE 7 1HD1 ILE 7 11.581 -0.526 -0.832 55 HD12 ILE 7 2HD1 ILE 7 11.617 1.211 -1.134 56 HD13 ILE 7 3HD1 ILE 7 12.243 0.092 -2.345 57 HA PRO 8 HA PRO 8 7.390 2.693 -0.569 58 HB2 PRO 8 2HB PRO 8 5.293 4.628 -1.230 59 HB3 PRO 8 1HB PRO 8 6.879 4.917 -0.513 60 HG2 PRO 8 2HG PRO 8 6.304 5.684 -3.024 61 HG3 PRO 8 1HG PRO 8 7.918 5.111 -2.564 62 HD2 PRO 8 2HD PRO 8 5.711 3.631 -3.957 63 HD3 PRO 8 1HD PRO 8 7.447 3.676 -4.336 64 HA PRO 9 HA PRO 9 3.796 0.361 0.569 65 HB2 PRO 9 2HB PRO 9 3.804 0.858 3.256 66 HB3 PRO 9 1HB PRO 9 4.917 -0.278 2.488 67 HG2 PRO 9 2HG PRO 9 5.390 2.530 3.378 68 HG3 PRO 9 1HG PRO 9 6.471 1.131 3.467 69 HD2 PRO 9 2HD PRO 9 6.670 3.085 1.566 70 HD3 PRO 9 1HD PRO 9 7.208 1.413 1.314 71 H ARG 10 H ARG 10 2.116 1.354 -0.296 72 HA ARG 10 HA ARG 10 1.051 3.787 0.921 73 HB2 ARG 10 2HB ARG 10 0.374 2.404 -1.686 74 HB3 ARG 10 1HB ARG 10 -0.294 3.935 -1.137 75 HG2 ARG 10 2HG ARG 10 1.888 4.979 -1.271 76 HG3 ARG 10 1HG ARG 10 2.624 3.435 -1.695 77 HD2 ARG 10 2HD ARG 10 0.614 4.983 -3.324 78 HD3 ARG 10 1HD ARG 10 2.331 4.800 -3.674 79 HE ARG 10 HE ARG 10 0.257 2.757 -3.885 80 HH11 ARG 10 1HH1 ARG 10 3.614 3.716 -4.545 81 HH12 ARG 10 2HH1 ARG 10 3.923 2.407 -5.581 82 HH21 ARG 10 1HH2 ARG 10 0.688 0.996 -5.325 83 HH22 ARG 10 2HH2 ARG 10 2.217 0.812 -6.048 84 H CYS 11 H CYS 11 -0.570 3.517 2.290 85 HA CYS 11 HA CYS 11 -1.930 0.956 2.217 86 HB2 CYS 11 2HB CYS 11 -1.572 2.893 4.495 87 HB3 CYS 11 1HB CYS 11 -2.504 1.397 4.571 88 H PHE 12 H PHE 12 -3.970 0.787 2.052 89 HA PHE 12 HA PHE 12 -5.470 3.145 1.272 90 HB2 PHE 12 2HB PHE 12 -6.162 0.210 0.971 91 HB3 PHE 12 1HB PHE 12 -6.982 1.565 0.203 92 HD1 PHE 12 1HD PHE 12 -4.246 -0.756 0.018 93 HD2 PHE 12 2HD PHE 12 -5.748 2.916 -1.506 94 HE1 PHE 12 1HE PHE 12 -2.700 -0.922 -1.870 95 HE2 PHE 12 2HE PHE 12 -4.196 2.752 -3.407 96 HZ PHE 12 HZ PHE 12 -2.669 0.827 -3.583 97 HA PRO 13 HA PRO 13 -7.680 3.151 5.099 98 HB2 PRO 13 2HB PRO 13 -10.161 3.766 3.679 99 HB3 PRO 13 1HB PRO 13 -9.275 4.750 4.846 100 HG2 PRO 13 2HG PRO 13 -9.333 5.369 2.239 101 HG3 PRO 13 1HG PRO 13 -7.888 5.646 3.227 102 HD2 PRO 13 2HD PRO 13 -8.463 3.467 1.267 103 HD3 PRO 13 1HD PRO 13 -6.962 4.369 1.562 104 H ASP 14 H ASP 14 -8.528 0.940 2.707 105 HA ASP 14 HA ASP 14 -10.616 -0.287 4.316 106 HB2 ASP 14 2HB ASP 14 -10.854 -1.956 2.537 107 HB3 ASP 14 1HB ASP 14 -10.921 -0.335 1.874 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -7.410 -0.235 4.407 2 HA2 GLY 1 2HA GLY 1 -6.043 -1.353 5.905 3 HA3 GLY 1 1HA GLY 1 -7.223 -2.660 5.964 4 H ARG 2 H ARG 2 -5.279 -1.186 3.472 5 HA ARG 2 HA ARG 2 -4.022 -3.741 2.924 6 HB2 ARG 2 2HB ARG 2 -5.936 -3.776 1.506 7 HB3 ARG 2 1HB ARG 2 -5.688 -2.115 1.022 8 HG2 ARG 2 2HG ARG 2 -3.750 -2.757 -0.275 9 HG3 ARG 2 1HG ARG 2 -3.902 -4.422 0.298 10 HD2 ARG 2 2HD ARG 2 -4.877 -3.912 -2.007 11 HD3 ARG 2 1HD ARG 2 -5.928 -4.758 -0.870 12 HE ARG 2 HE ARG 2 -6.966 -2.583 -0.399 13 HH11 ARG 2 1HH1 ARG 2 -5.403 -3.016 -3.569 14 HH12 ARG 2 2HH1 ARG 2 -6.246 -1.706 -4.267 15 HH21 ARG 2 1HH2 ARG 2 -8.032 -0.880 -1.344 16 HH22 ARG 2 2HH2 ARG 2 -7.793 -0.447 -2.987 17 H CYS 3 H CYS 3 -1.967 -3.258 3.104 18 HA CYS 3 HA CYS 3 -1.044 -0.655 2.110 19 HB2 CYS 3 2HB CYS 3 0.363 -2.605 3.958 20 HB3 CYS 3 1HB CYS 3 0.923 -0.994 3.521 21 H THR 4 H THR 4 0.516 -0.553 0.571 22 HA THR 4 HA THR 4 0.569 -2.767 -1.132 23 HB THR 4 HB THR 4 2.153 -1.395 -2.511 24 HG1 THR 4 1HG THR 4 3.194 0.012 -1.438 25 HG21 THR 4 1HG2 THR 4 0.519 0.365 -3.053 26 HG22 THR 4 2HG2 THR 4 -0.344 0.008 -1.557 27 HG23 THR 4 3HG2 THR 4 -0.256 -1.204 -2.836 28 H LYS 5 H LYS 5 2.017 -4.252 -1.463 29 HA LYS 5 HA LYS 5 4.152 -4.629 0.441 30 HB2 LYS 5 2HB LYS 5 3.373 -6.260 -1.983 31 HB3 LYS 5 1HB LYS 5 4.422 -6.793 -0.681 32 HG2 LYS 5 2HG LYS 5 1.480 -6.142 -0.416 33 HG3 LYS 5 1HG LYS 5 2.160 -7.761 -0.511 34 HD2 LYS 5 2HD LYS 5 2.733 -5.746 1.674 35 HD3 LYS 5 1HD LYS 5 1.601 -7.091 1.800 36 HE2 LYS 5 2HE LYS 5 3.439 -8.664 1.422 37 HE3 LYS 5 1HE LYS 5 4.568 -7.318 1.312 38 HZ1 LYS 5 1HZ LYS 5 4.621 -8.312 3.471 39 HZ2 LYS 5 2HZ LYS 5 2.981 -8.051 3.718 40 HZ3 LYS 5 3HZ LYS 5 4.034 -6.743 3.600 41 H SER 6 H SER 6 3.636 -3.284 -2.615 42 HA SER 6 HA SER 6 6.351 -3.378 -3.496 43 HB2 SER 6 2HB SER 6 5.131 -1.956 -5.325 44 HB3 SER 6 1HB SER 6 4.808 -3.686 -5.215 45 HG SER 6 HG SER 6 3.065 -1.686 -4.983 46 H ILE 7 H ILE 7 7.619 -1.491 -3.615 47 HA ILE 7 HA ILE 7 6.975 0.450 -1.562 48 HB ILE 7 HB ILE 7 9.311 1.265 -1.858 49 HG12 ILE 7 2HG1 ILE 7 9.563 -1.021 -3.841 50 HG13 ILE 7 1HG1 ILE 7 9.572 0.688 -4.254 51 HG21 ILE 7 1HG2 ILE 7 10.422 -0.726 -0.929 52 HG22 ILE 7 2HG2 ILE 7 9.037 -1.706 -1.410 53 HG23 ILE 7 3HG2 ILE 7 8.843 -0.443 -0.198 54 HD11 ILE 7 1HD1 ILE 7 11.815 -0.248 -4.260 55 HD12 ILE 7 2HD1 ILE 7 11.627 -0.741 -2.576 56 HD13 ILE 7 3HD1 ILE 7 11.650 0.971 -2.997 57 HA PRO 8 HA PRO 8 7.538 2.461 -0.919 58 HB2 PRO 8 2HB PRO 8 5.707 4.701 -0.891 59 HB3 PRO 8 1HB PRO 8 7.455 4.720 -0.656 60 HG2 PRO 8 2HG PRO 8 6.215 5.799 -2.840 61 HG3 PRO 8 1HG PRO 8 7.872 5.179 -2.857 62 HD2 PRO 8 2HD PRO 8 5.354 3.878 -3.812 63 HD3 PRO 8 1HD PRO 8 6.975 3.897 -4.543 64 HA PRO 9 HA PRO 9 3.837 0.367 0.326 65 HB2 PRO 9 2HB PRO 9 4.268 0.409 3.032 66 HB3 PRO 9 1HB PRO 9 5.039 -0.740 1.938 67 HG2 PRO 9 2HG PRO 9 6.135 1.745 3.158 68 HG3 PRO 9 1HG PRO 9 6.950 0.211 2.815 69 HD2 PRO 9 2HD PRO 9 7.203 2.453 1.281 70 HD3 PRO 9 1HD PRO 9 7.403 0.806 0.652 71 H ARG 10 H ARG 10 2.046 1.406 0.132 72 HA ARG 10 HA ARG 10 1.400 3.644 1.942 73 HB2 ARG 10 2HB ARG 10 0.454 3.146 -0.888 74 HB3 ARG 10 1HB ARG 10 -0.158 4.415 0.160 75 HG2 ARG 10 2HG ARG 10 2.051 5.428 0.234 76 HG3 ARG 10 1HG ARG 10 2.676 4.144 -0.801 77 HD2 ARG 10 2HD ARG 10 1.183 4.826 -2.586 78 HD3 ARG 10 1HD ARG 10 0.486 6.074 -1.550 79 HE ARG 10 HE ARG 10 3.068 6.676 -1.493 80 HH11 ARG 10 1HH1 ARG 10 0.852 6.094 -4.212 81 HH12 ARG 10 2HH1 ARG 10 1.707 7.100 -5.290 82 HH21 ARG 10 1HH2 ARG 10 4.218 8.104 -3.028 83 HH22 ARG 10 2HH2 ARG 10 3.610 8.239 -4.613 84 H CYS 11 H CYS 11 -0.699 3.596 2.842 85 HA CYS 11 HA CYS 11 -1.920 0.957 2.623 86 HB2 CYS 11 2HB CYS 11 -1.951 2.878 4.947 87 HB3 CYS 11 1HB CYS 11 -2.752 1.311 4.897 88 H PHE 12 H PHE 12 -3.741 0.823 1.718 89 HA PHE 12 HA PHE 12 -5.306 3.115 1.056 90 HB2 PHE 12 2HB PHE 12 -5.833 0.146 0.729 91 HB3 PHE 12 1HB PHE 12 -6.850 1.414 0.069 92 HD1 PHE 12 1HD PHE 12 -3.768 -0.466 -0.301 93 HD2 PHE 12 2HD PHE 12 -6.048 2.791 -1.799 94 HE1 PHE 12 1HE PHE 12 -2.423 -0.476 -2.349 95 HE2 PHE 12 2HE PHE 12 -4.701 2.789 -3.855 96 HZ PHE 12 HZ PHE 12 -2.885 1.148 -4.134 97 HA PRO 13 HA PRO 13 -8.005 3.276 4.583 98 HB2 PRO 13 2HB PRO 13 -10.306 3.324 2.702 99 HB3 PRO 13 1HB PRO 13 -9.860 4.483 3.959 100 HG2 PRO 13 2HG PRO 13 -9.464 5.089 1.428 101 HG3 PRO 13 1HG PRO 13 -8.218 5.471 2.631 102 HD2 PRO 13 2HD PRO 13 -8.326 3.192 0.685 103 HD3 PRO 13 1HD PRO 13 -6.965 4.259 1.099 104 H ASP 14 H ASP 14 -8.503 0.771 2.248 105 HA ASP 14 HA ASP 14 -10.478 -0.623 3.848 106 HB2 ASP 14 2HB ASP 14 -10.448 -2.327 2.059 107 HB3 ASP 14 1HB ASP 14 -10.742 -0.711 1.439 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.449 -0.209 4.673 2 HA2 GLY 1 2HA GLY 1 -6.056 -1.559 5.996 3 HA3 GLY 1 1HA GLY 1 -7.340 -2.764 6.073 4 H ARG 2 H ARG 2 -4.976 -1.331 3.921 5 HA ARG 2 HA ARG 2 -4.428 -3.849 2.611 6 HB2 ARG 2 2HB ARG 2 -6.523 -2.944 1.544 7 HB3 ARG 2 1HB ARG 2 -5.597 -1.528 1.087 8 HG2 ARG 2 2HG ARG 2 -4.091 -3.042 -0.210 9 HG3 ARG 2 1HG ARG 2 -5.237 -4.345 0.123 10 HD2 ARG 2 2HD ARG 2 -5.716 -1.805 -1.424 11 HD3 ARG 2 1HD ARG 2 -5.818 -3.466 -2.004 12 HE ARG 2 HE ARG 2 -7.651 -2.761 0.129 13 HH11 ARG 2 1HH1 ARG 2 -7.241 -2.925 -3.380 14 HH12 ARG 2 2HH1 ARG 2 -8.907 -3.079 -3.691 15 HH21 ARG 2 1HH2 ARG 2 -9.828 -2.925 -0.251 16 HH22 ARG 2 2HH2 ARG 2 -10.478 -3.076 -1.829 17 H CYS 3 H CYS 3 -2.246 -3.665 2.058 18 HA CYS 3 HA CYS 3 -1.244 -0.973 1.510 19 HB2 CYS 3 2HB CYS 3 0.110 -3.009 3.298 20 HB3 CYS 3 1HB CYS 3 0.841 -1.507 2.751 21 H THR 4 H THR 4 0.686 -0.939 0.226 22 HA THR 4 HA THR 4 0.744 -3.048 -1.696 23 HB THR 4 HB THR 4 2.606 -1.675 -2.688 24 HG1 THR 4 1HG THR 4 3.547 -0.494 -1.186 25 HG21 THR 4 1HG2 THR 4 0.287 -1.287 -3.380 26 HG22 THR 4 2HG2 THR 4 1.184 0.230 -3.346 27 HG23 THR 4 3HG2 THR 4 0.067 -0.162 -2.040 28 H LYS 5 H LYS 5 2.461 -4.505 -2.012 29 HA LYS 5 HA LYS 5 4.234 -4.815 0.294 30 HB2 LYS 5 2HB LYS 5 3.656 -6.716 -2.007 31 HB3 LYS 5 1HB LYS 5 4.623 -7.084 -0.585 32 HG2 LYS 5 2HG LYS 5 2.637 -6.771 0.827 33 HG3 LYS 5 1HG LYS 5 1.679 -6.460 -0.616 34 HD2 LYS 5 2HD LYS 5 2.231 -8.708 -1.446 35 HD3 LYS 5 1HD LYS 5 3.148 -9.013 0.030 36 HE2 LYS 5 2HE LYS 5 0.200 -8.392 -0.122 37 HE3 LYS 5 1HE LYS 5 0.897 -9.991 0.132 38 HZ1 LYS 5 1HZ LYS 5 1.161 -7.669 1.994 39 HZ2 LYS 5 2HZ LYS 5 1.858 -9.172 2.214 40 HZ3 LYS 5 3HZ LYS 5 0.183 -9.022 2.206 41 H SER 6 H SER 6 4.241 -2.967 -2.043 42 HA SER 6 HA SER 6 6.959 -3.344 -3.013 43 HB2 SER 6 2HB SER 6 6.078 -1.836 -4.842 44 HB3 SER 6 1HB SER 6 5.344 -3.445 -4.800 45 HG SER 6 HG SER 6 3.599 -2.318 -4.799 46 H ILE 7 H ILE 7 7.922 -1.078 -3.417 47 HA ILE 7 HA ILE 7 7.105 0.707 -1.256 48 HB ILE 7 HB ILE 7 9.375 1.712 -1.441 49 HG12 ILE 7 2HG1 ILE 7 9.976 -0.643 -3.253 50 HG13 ILE 7 1HG1 ILE 7 9.843 1.029 -3.780 51 HG21 ILE 7 1HG2 ILE 7 8.936 0.087 0.285 52 HG22 ILE 7 2HG2 ILE 7 10.579 -0.127 -0.322 53 HG23 ILE 7 3HG2 ILE 7 9.302 -1.234 -0.825 54 HD11 ILE 7 1HD1 ILE 7 11.890 -0.065 -1.870 55 HD12 ILE 7 2HD1 ILE 7 11.765 1.611 -2.397 56 HD13 ILE 7 3HD1 ILE 7 12.164 0.349 -3.563 57 HA PRO 8 HA PRO 8 7.603 2.857 -0.688 58 HB2 PRO 8 2HB PRO 8 5.855 4.916 -0.443 59 HB3 PRO 8 1HB PRO 8 7.478 5.140 -1.105 60 HG2 PRO 8 2HG PRO 8 4.874 4.847 -2.547 61 HG3 PRO 8 1HG PRO 8 6.206 5.971 -2.864 62 HD2 PRO 8 2HD PRO 8 5.830 3.694 -4.291 63 HD3 PRO 8 1HD PRO 8 7.433 4.397 -4.005 64 HA PRO 9 HA PRO 9 4.122 0.535 0.787 65 HB2 PRO 9 2HB PRO 9 4.019 1.437 3.390 66 HB3 PRO 9 1HB PRO 9 5.140 0.197 2.823 67 HG2 PRO 9 2HG PRO 9 5.608 3.101 3.307 68 HG3 PRO 9 1HG PRO 9 6.683 1.725 3.603 69 HD2 PRO 9 2HD PRO 9 6.965 3.375 1.474 70 HD3 PRO 9 1HD PRO 9 7.403 1.654 1.421 71 H ARG 10 H ARG 10 2.352 1.218 -0.155 72 HA ARG 10 HA ARG 10 1.084 3.697 0.745 73 HB2 ARG 10 2HB ARG 10 0.968 2.146 -1.837 74 HB3 ARG 10 1HB ARG 10 -0.177 3.426 -1.448 75 HG2 ARG 10 2HG ARG 10 1.401 5.086 -1.622 76 HG3 ARG 10 1HG ARG 10 2.742 3.991 -1.279 77 HD2 ARG 10 2HD ARG 10 1.102 3.896 -3.801 78 HD3 ARG 10 1HD ARG 10 2.606 4.810 -3.633 79 HE ARG 10 HE ARG 10 3.220 2.318 -2.767 80 HH11 ARG 10 1HH1 ARG 10 2.056 3.678 -5.818 81 HH12 ARG 10 2HH1 ARG 10 2.711 2.453 -6.792 82 HH21 ARG 10 1HH2 ARG 10 4.120 0.593 -4.120 83 HH22 ARG 10 2HH2 ARG 10 3.908 0.637 -5.794 84 H CYS 11 H CYS 11 -0.688 3.454 1.914 85 HA CYS 11 HA CYS 11 -1.972 0.835 1.868 86 HB2 CYS 11 2HB CYS 11 -1.660 2.707 4.226 87 HB3 CYS 11 1HB CYS 11 -2.559 1.193 4.238 88 H PHE 12 H PHE 12 -4.172 0.769 2.216 89 HA PHE 12 HA PHE 12 -5.547 3.210 1.378 90 HB2 PHE 12 2HB PHE 12 -6.262 0.318 0.804 91 HB3 PHE 12 1HB PHE 12 -7.199 1.710 0.292 92 HD1 PHE 12 1HD PHE 12 -6.269 3.285 -1.378 93 HD2 PHE 12 2HD PHE 12 -4.311 -0.365 -0.403 94 HE1 PHE 12 1HE PHE 12 -4.942 3.453 -3.431 95 HE2 PHE 12 2HE PHE 12 -2.978 -0.206 -2.465 96 HZ PHE 12 HZ PHE 12 -3.290 1.704 -3.983 97 HA PRO 13 HA PRO 13 -7.748 3.312 5.137 98 HB2 PRO 13 2HB PRO 13 -10.220 4.122 4.348 99 HB3 PRO 13 1HB PRO 13 -8.811 5.188 4.415 100 HG2 PRO 13 2HG PRO 13 -9.984 3.743 2.067 101 HG3 PRO 13 1HG PRO 13 -9.423 5.423 2.175 102 HD2 PRO 13 2HD PRO 13 -7.919 3.536 1.053 103 HD3 PRO 13 1HD PRO 13 -7.192 4.809 2.052 104 H ASP 14 H ASP 14 -8.503 0.852 3.032 105 HA ASP 14 HA ASP 14 -10.662 -0.152 4.750 106 HB2 ASP 14 2HB ASP 14 -11.247 -1.671 2.999 107 HB3 ASP 14 1HB ASP 14 -11.043 -0.089 2.262 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -7.316 -0.337 4.541 2 HA2 GLY 1 2HA GLY 1 -6.081 -1.759 5.930 3 HA3 GLY 1 1HA GLY 1 -7.357 -2.961 5.772 4 H ARG 2 H ARG 2 -4.996 -1.325 3.743 5 HA ARG 2 HA ARG 2 -3.981 -3.795 2.735 6 HB2 ARG 2 2HB ARG 2 -6.003 -3.716 1.463 7 HB3 ARG 2 1HB ARG 2 -5.771 -2.023 1.092 8 HG2 ARG 2 2HG ARG 2 -3.881 -2.593 -0.333 9 HG3 ARG 2 1HG ARG 2 -4.104 -4.303 0.060 10 HD2 ARG 2 2HD ARG 2 -5.151 -3.592 -2.108 11 HD3 ARG 2 1HD ARG 2 -6.255 -4.342 -0.960 12 HE ARG 2 HE ARG 2 -7.091 -2.147 -0.407 13 HH11 ARG 2 1HH1 ARG 2 -5.120 -2.257 -3.345 14 HH12 ARG 2 2HH1 ARG 2 -5.918 -0.941 -4.084 15 HH21 ARG 2 1HH2 ARG 2 -8.124 -0.370 -1.376 16 HH22 ARG 2 2HH2 ARG 2 -7.681 0.189 -2.935 17 H CYS 3 H CYS 3 -1.895 -3.357 2.518 18 HA CYS 3 HA CYS 3 -1.085 -0.691 1.591 19 HB2 CYS 3 2HB CYS 3 0.452 -2.598 3.384 20 HB3 CYS 3 1HB CYS 3 1.045 -1.055 2.791 21 H THR 4 H THR 4 0.487 -0.671 -0.043 22 HA THR 4 HA THR 4 0.616 -2.994 -1.615 23 HB THR 4 HB THR 4 2.329 -1.666 -2.937 24 HG1 THR 4 1HG THR 4 3.237 -0.133 -1.905 25 HG21 THR 4 1HG2 THR 4 -0.276 -0.273 -2.298 26 HG22 THR 4 2HG2 THR 4 -0.052 -1.547 -3.498 27 HG23 THR 4 3HG2 THR 4 0.715 0.025 -3.726 28 H LYS 5 H LYS 5 2.136 -4.557 -1.701 29 HA LYS 5 HA LYS 5 3.980 -4.772 0.486 30 HB2 LYS 5 2HB LYS 5 4.662 -6.903 -0.564 31 HB3 LYS 5 1HB LYS 5 2.921 -6.808 -0.360 32 HG2 LYS 5 2HG LYS 5 2.666 -6.250 -2.723 33 HG3 LYS 5 1HG LYS 5 4.414 -6.310 -2.933 34 HD2 LYS 5 2HD LYS 5 2.653 -8.612 -2.095 35 HD3 LYS 5 1HD LYS 5 3.297 -8.359 -3.715 36 HE2 LYS 5 2HE LYS 5 5.585 -8.509 -2.781 37 HE3 LYS 5 1HE LYS 5 4.893 -8.859 -1.200 38 HZ1 LYS 5 1HZ LYS 5 4.544 -10.483 -3.643 39 HZ2 LYS 5 2HZ LYS 5 3.877 -10.854 -2.135 40 HZ3 LYS 5 3HZ LYS 5 5.549 -10.873 -2.361 41 H SER 6 H SER 6 4.001 -3.535 -2.664 42 HA SER 6 HA SER 6 6.853 -3.415 -2.776 43 HB2 SER 6 2HB SER 6 6.194 -2.233 -4.984 44 HB3 SER 6 1HB SER 6 5.915 -3.970 -4.847 45 HG SER 6 HG SER 6 4.151 -1.928 -5.117 46 H ILE 7 H ILE 7 7.923 -1.596 -2.327 47 HA ILE 7 HA ILE 7 6.416 0.546 -1.080 48 HB ILE 7 HB ILE 7 8.605 1.366 -0.284 49 HG12 ILE 7 2HG1 ILE 7 9.728 -1.064 -1.704 50 HG13 ILE 7 1HG1 ILE 7 9.981 0.610 -2.186 51 HG21 ILE 7 1HG2 ILE 7 8.119 -1.564 0.210 52 HG22 ILE 7 2HG2 ILE 7 7.348 -0.225 1.057 53 HG23 ILE 7 3HG2 ILE 7 9.083 -0.499 1.233 54 HD11 ILE 7 1HD1 ILE 7 11.909 -0.252 -1.032 55 HD12 ILE 7 2HD1 ILE 7 10.914 -0.686 0.354 56 HD13 ILE 7 3HD1 ILE 7 11.145 1.011 -0.063 57 HA PRO 8 HA PRO 8 7.260 3.050 -0.464 58 HB2 PRO 8 2HB PRO 8 5.381 4.938 -1.226 59 HB3 PRO 8 1HB PRO 8 7.124 5.220 -1.157 60 HG2 PRO 8 2HG PRO 8 5.413 4.507 -3.505 61 HG3 PRO 8 1HG PRO 8 6.729 5.690 -3.400 62 HD2 PRO 8 2HD PRO 8 7.143 3.319 -4.523 63 HD3 PRO 8 1HD PRO 8 8.373 4.046 -3.472 64 HA PRO 9 HA PRO 9 3.677 0.556 0.139 65 HB2 PRO 9 2HB PRO 9 3.447 0.832 2.833 66 HB3 PRO 9 1HB PRO 9 4.646 -0.207 2.061 67 HG2 PRO 9 2HG PRO 9 4.983 2.456 3.319 68 HG3 PRO 9 1HG PRO 9 6.126 1.113 3.205 69 HD2 PRO 9 2HD PRO 9 6.148 3.405 1.608 70 HD3 PRO 9 1HD PRO 9 6.983 1.883 1.251 71 H ARG 10 H ARG 10 1.978 1.412 -0.701 72 HA ARG 10 HA ARG 10 0.734 3.807 0.356 73 HB2 ARG 10 2HB ARG 10 -0.074 1.925 -1.871 74 HB3 ARG 10 1HB ARG 10 -0.918 3.405 -1.449 75 HG2 ARG 10 2HG ARG 10 1.916 3.219 -2.458 76 HG3 ARG 10 1HG ARG 10 0.507 3.710 -3.403 77 HD2 ARG 10 2HD ARG 10 1.632 5.118 -0.983 78 HD3 ARG 10 1HD ARG 10 1.735 5.667 -2.652 79 HE ARG 10 HE ARG 10 -0.875 5.508 -2.397 80 HH11 ARG 10 1HH1 ARG 10 1.478 6.905 -0.156 81 HH12 ARG 10 2HH1 ARG 10 0.353 7.957 0.578 82 HH21 ARG 10 1HH2 ARG 10 -2.411 6.998 -1.398 83 HH22 ARG 10 2HH2 ARG 10 -1.890 7.999 -0.142 84 H CYS 11 H CYS 11 -0.465 3.583 2.140 85 HA CYS 11 HA CYS 11 -1.820 1.037 2.471 86 HB2 CYS 11 2HB CYS 11 -1.060 3.139 4.496 87 HB3 CYS 11 1HB CYS 11 -2.063 1.737 4.865 88 H PHE 12 H PHE 12 -3.757 0.937 2.008 89 HA PHE 12 HA PHE 12 -5.328 3.294 1.505 90 HB2 PHE 12 2HB PHE 12 -5.871 0.349 1.072 91 HB3 PHE 12 1HB PHE 12 -6.928 1.650 0.551 92 HD1 PHE 12 1HD PHE 12 -6.407 2.951 -1.398 93 HD2 PHE 12 2HD PHE 12 -3.717 -0.044 -0.034 94 HE1 PHE 12 1HE PHE 12 -5.209 3.057 -3.536 95 HE2 PHE 12 2HE PHE 12 -2.509 0.056 -2.166 96 HZ PHE 12 HZ PHE 12 -3.252 1.606 -3.929 97 HA PRO 13 HA PRO 13 -7.606 3.083 5.326 98 HB2 PRO 13 2HB PRO 13 -10.058 3.650 3.748 99 HB3 PRO 13 1HB PRO 13 -9.354 4.553 5.093 100 HG2 PRO 13 2HG PRO 13 -9.168 5.505 2.636 101 HG3 PRO 13 1HG PRO 13 -7.786 5.603 3.740 102 HD2 PRO 13 2HD PRO 13 -8.289 3.648 1.526 103 HD3 PRO 13 1HD PRO 13 -6.803 4.544 1.921 104 H ASP 14 H ASP 14 -8.444 1.099 2.655 105 HA ASP 14 HA ASP 14 -10.440 -0.404 4.077 106 HB2 ASP 14 2HB ASP 14 -10.568 -1.859 2.066 107 HB3 ASP 14 1HB ASP 14 -10.837 -0.166 1.708 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.192 -0.194 4.359 2 HA2 GLY 1 2HA GLY 1 -5.793 -1.131 6.030 3 HA3 GLY 1 1HA GLY 1 -6.956 -2.443 6.233 4 H ARG 2 H ARG 2 -5.312 -1.049 3.468 5 HA ARG 2 HA ARG 2 -4.342 -3.728 2.719 6 HB2 ARG 2 2HB ARG 2 -6.427 -3.013 1.534 7 HB3 ARG 2 1HB ARG 2 -5.541 -1.631 0.925 8 HG2 ARG 2 2HG ARG 2 -3.983 -3.213 -0.190 9 HG3 ARG 2 1HG ARG 2 -5.053 -4.524 0.322 10 HD2 ARG 2 2HD ARG 2 -5.733 -2.215 -1.482 11 HD3 ARG 2 1HD ARG 2 -5.638 -3.921 -1.916 12 HE ARG 2 HE ARG 2 -7.599 -3.098 0.100 13 HH11 ARG 2 1HH1 ARG 2 -6.984 -4.194 -3.223 14 HH12 ARG 2 2HH1 ARG 2 -8.601 -4.590 -3.530 15 HH21 ARG 2 1HH2 ARG 2 -9.785 -3.589 -0.334 16 HH22 ARG 2 2HH2 ARG 2 -10.247 -4.235 -1.852 17 H CYS 3 H CYS 3 -2.123 -3.519 2.475 18 HA CYS 3 HA CYS 3 -1.147 -0.885 1.621 19 HB2 CYS 3 2HB CYS 3 0.240 -2.837 3.475 20 HB3 CYS 3 1HB CYS 3 0.891 -1.297 2.933 21 H THR 4 H THR 4 0.402 -0.833 0.024 22 HA THR 4 HA THR 4 0.596 -3.120 -1.626 23 HB THR 4 HB THR 4 2.189 -1.706 -2.944 24 HG1 THR 4 1HG THR 4 3.183 -0.200 -1.922 25 HG21 THR 4 1HG2 THR 4 -0.305 -0.245 -2.059 26 HG22 THR 4 2HG2 THR 4 -0.242 -1.485 -3.307 27 HG23 THR 4 3HG2 THR 4 0.590 0.052 -3.551 28 H LYS 5 H LYS 5 2.388 -4.425 -1.978 29 HA LYS 5 HA LYS 5 4.175 -4.654 0.291 30 HB2 LYS 5 2HB LYS 5 4.942 -6.724 -0.796 31 HB3 LYS 5 1HB LYS 5 3.195 -6.703 -0.605 32 HG2 LYS 5 2HG LYS 5 2.996 -6.025 -2.986 33 HG3 LYS 5 1HG LYS 5 4.743 -6.207 -3.151 34 HD2 LYS 5 2HD LYS 5 2.781 -8.367 -2.377 35 HD3 LYS 5 1HD LYS 5 3.530 -8.171 -3.959 36 HE2 LYS 5 2HE LYS 5 5.721 -8.558 -2.994 37 HE3 LYS 5 1HE LYS 5 5.011 -8.682 -1.385 38 HZ1 LYS 5 1HZ LYS 5 4.413 -10.503 -3.645 39 HZ2 LYS 5 2HZ LYS 5 3.825 -10.647 -2.070 40 HZ3 LYS 5 3HZ LYS 5 5.463 -10.854 -2.378 41 H SER 6 H SER 6 4.103 -3.311 -2.797 42 HA SER 6 HA SER 6 6.934 -3.169 -3.211 43 HB2 SER 6 2HB SER 6 6.142 -1.725 -5.124 44 HB3 SER 6 1HB SER 6 5.501 -3.372 -5.121 45 HG SER 6 HG SER 6 4.169 -1.080 -4.093 46 H ILE 7 H ILE 7 8.168 -1.368 -2.743 47 HA ILE 7 HA ILE 7 6.983 0.569 -0.975 48 HB ILE 7 HB ILE 7 9.284 1.500 -0.772 49 HG12 ILE 7 2HG1 ILE 7 10.048 -0.768 -2.633 50 HG13 ILE 7 1HG1 ILE 7 10.093 0.942 -3.038 51 HG21 ILE 7 1HG2 ILE 7 8.543 -0.224 0.764 52 HG22 ILE 7 2HG2 ILE 7 10.259 -0.425 0.409 53 HG23 ILE 7 3HG2 ILE 7 9.071 -1.478 -0.359 54 HD11 ILE 7 1HD1 ILE 7 11.811 1.286 -1.343 55 HD12 ILE 7 2HD1 ILE 7 12.300 0.087 -2.546 56 HD13 ILE 7 3HD1 ILE 7 11.758 -0.433 -0.951 57 HA PRO 8 HA PRO 8 7.316 2.645 -0.294 58 HB2 PRO 8 2HB PRO 8 5.362 4.738 -0.697 59 HB3 PRO 8 1HB PRO 8 7.026 4.885 -0.142 60 HG2 PRO 8 2HG PRO 8 6.137 5.808 -2.567 61 HG3 PRO 8 1HG PRO 8 7.816 5.365 -2.225 62 HD2 PRO 8 2HD PRO 8 5.693 3.808 -3.634 63 HD3 PRO 8 1HD PRO 8 7.426 3.945 -4.000 64 HA PRO 9 HA PRO 9 3.600 0.221 0.305 65 HB2 PRO 9 2HB PRO 9 3.728 1.149 3.111 66 HB3 PRO 9 1HB PRO 9 3.760 -0.498 2.478 67 HG2 PRO 9 2HG PRO 9 5.967 0.620 3.469 68 HG3 PRO 9 1HG PRO 9 6.034 -0.424 2.039 69 HD2 PRO 9 2HD PRO 9 6.106 2.565 2.193 70 HD3 PRO 9 1HD PRO 9 7.072 1.449 1.202 71 H ARG 10 H ARG 10 1.947 1.181 -0.603 72 HA ARG 10 HA ARG 10 0.772 3.603 0.488 73 HB2 ARG 10 2HB ARG 10 1.018 3.395 -1.950 74 HB3 ARG 10 1HB ARG 10 0.105 1.908 -1.927 75 HG2 ARG 10 2HG ARG 10 -1.218 3.762 -2.802 76 HG3 ARG 10 1HG ARG 10 -1.913 3.130 -1.318 77 HD2 ARG 10 2HD ARG 10 -0.055 5.464 -1.201 78 HD3 ARG 10 1HD ARG 10 -1.726 5.713 -1.713 79 HE ARG 10 HE ARG 10 -2.201 4.486 0.507 80 HH11 ARG 10 1HH1 ARG 10 0.423 6.851 0.050 81 HH12 ARG 10 2HH1 ARG 10 0.345 7.419 1.638 82 HH21 ARG 10 1HH2 ARG 10 -2.293 5.296 2.664 83 HH22 ARG 10 2HH2 ARG 10 -1.235 6.530 3.164 84 H CYS 11 H CYS 11 -0.383 3.210 2.228 85 HA CYS 11 HA CYS 11 -1.988 0.815 2.353 86 HB2 CYS 11 2HB CYS 11 -1.370 2.921 4.433 87 HB3 CYS 11 1HB CYS 11 -2.390 1.511 4.705 88 H PHE 12 H PHE 12 -3.927 0.807 1.771 89 HA PHE 12 HA PHE 12 -5.375 3.264 1.244 90 HB2 PHE 12 2HB PHE 12 -6.102 0.375 0.663 91 HB3 PHE 12 1HB PHE 12 -6.958 1.791 0.080 92 HD1 PHE 12 1HD PHE 12 -4.062 -0.369 -0.376 93 HD2 PHE 12 2HD PHE 12 -5.976 3.206 -1.664 94 HE1 PHE 12 1HE PHE 12 -2.656 -0.349 -2.396 95 HE2 PHE 12 2HE PHE 12 -4.565 3.230 -3.681 96 HZ PHE 12 HZ PHE 12 -2.907 1.451 -4.046 97 HA PRO 13 HA PRO 13 -7.855 3.502 4.924 98 HB2 PRO 13 2HB PRO 13 -10.084 3.363 2.938 99 HB3 PRO 13 1HB PRO 13 -9.900 4.427 4.335 100 HG2 PRO 13 2HG PRO 13 -9.316 5.330 1.933 101 HG3 PRO 13 1HG PRO 13 -8.263 5.716 3.306 102 HD2 PRO 13 2HD PRO 13 -7.800 3.847 1.041 103 HD3 PRO 13 1HD PRO 13 -6.642 4.783 2.002 104 H ASP 14 H ASP 14 -8.706 0.929 2.660 105 HA ASP 14 HA ASP 14 -10.479 -0.356 4.523 106 HB2 ASP 14 2HB ASP 14 -10.670 -2.195 2.957 107 HB3 ASP 14 1HB ASP 14 -10.803 -0.677 2.094 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -7.681 -0.468 4.153 2 HA2 GLY 1 2HA GLY 1 -6.592 -2.042 5.461 3 HA3 GLY 1 1HA GLY 1 -7.812 -3.231 4.996 4 H ARG 2 H ARG 2 -5.159 -1.353 3.687 5 HA ARG 2 HA ARG 2 -4.108 -3.633 2.367 6 HB2 ARG 2 2HB ARG 2 -5.856 -3.231 0.819 7 HB3 ARG 2 1HB ARG 2 -5.536 -1.511 0.794 8 HG2 ARG 2 2HG ARG 2 -3.491 -1.884 -0.434 9 HG3 ARG 2 1HG ARG 2 -3.707 -3.633 -0.301 10 HD2 ARG 2 2HD ARG 2 -4.440 -2.581 -2.489 11 HD3 ARG 2 1HD ARG 2 -5.618 -3.612 -1.681 12 HE ARG 2 HE ARG 2 -6.679 -1.563 -0.845 13 HH11 ARG 2 1HH1 ARG 2 -4.611 -1.238 -3.717 14 HH12 ARG 2 2HH1 ARG 2 -5.414 0.122 -4.317 15 HH21 ARG 2 1HH2 ARG 2 -7.737 0.267 -1.605 16 HH22 ARG 2 2HH2 ARG 2 -7.328 1.013 -3.089 17 H CYS 3 H CYS 3 -2.041 -3.350 2.636 18 HA CYS 3 HA CYS 3 -0.892 -0.706 2.136 19 HB2 CYS 3 2HB CYS 3 0.091 -2.877 4.014 20 HB3 CYS 3 1HB CYS 3 0.985 -1.413 3.623 21 H THR 4 H THR 4 0.648 -0.667 0.579 22 HA THR 4 HA THR 4 0.798 -2.930 -1.087 23 HB THR 4 HB THR 4 2.481 -1.534 -2.354 24 HG1 THR 4 1HG THR 4 3.294 0.081 -1.393 25 HG21 THR 4 1HG2 THR 4 0.081 -1.436 -2.881 26 HG22 THR 4 2HG2 THR 4 0.830 0.150 -3.067 27 HG23 THR 4 3HG2 THR 4 -0.141 -0.204 -1.639 28 H LYS 5 H LYS 5 2.282 -4.458 -1.276 29 HA LYS 5 HA LYS 5 4.325 -4.741 0.744 30 HB2 LYS 5 2HB LYS 5 2.949 -6.668 -0.037 31 HB3 LYS 5 1HB LYS 5 3.616 -6.471 -1.644 32 HG2 LYS 5 2HG LYS 5 5.764 -7.188 -0.906 33 HG3 LYS 5 1HG LYS 5 5.253 -7.124 0.784 34 HD2 LYS 5 2HD LYS 5 3.656 -8.913 0.410 35 HD3 LYS 5 1HD LYS 5 4.056 -8.944 -1.306 36 HE2 LYS 5 2HE LYS 5 6.014 -9.517 0.915 37 HE3 LYS 5 1HE LYS 5 5.128 -10.755 0.027 38 HZ1 LYS 5 1HZ LYS 5 6.186 -10.029 -1.996 39 HZ2 LYS 5 2HZ LYS 5 7.377 -10.389 -0.851 40 HZ3 LYS 5 3HZ LYS 5 6.994 -8.798 -1.194 41 H SER 6 H SER 6 3.950 -3.680 -2.468 42 HA SER 6 HA SER 6 6.759 -3.618 -3.102 43 HB2 SER 6 2HB SER 6 5.844 -2.447 -5.142 44 HB3 SER 6 1HB SER 6 5.211 -4.075 -4.891 45 HG SER 6 HG SER 6 3.949 -1.593 -4.620 46 H ILE 7 H ILE 7 7.898 -1.573 -3.339 47 HA ILE 7 HA ILE 7 6.700 0.509 -1.704 48 HB ILE 7 HB ILE 7 8.968 1.565 -1.641 49 HG12 ILE 7 2HG1 ILE 7 9.902 -0.963 -3.019 50 HG13 ILE 7 1HG1 ILE 7 9.838 0.624 -3.782 51 HG21 ILE 7 1HG2 ILE 7 8.290 0.108 0.156 52 HG22 ILE 7 2HG2 ILE 7 10.016 -0.088 -0.152 53 HG23 ILE 7 3HG2 ILE 7 8.873 -1.301 -0.728 54 HD11 ILE 7 1HD1 ILE 7 11.557 -0.167 -1.434 55 HD12 ILE 7 2HD1 ILE 7 11.506 1.433 -2.176 56 HD13 ILE 7 3HD1 ILE 7 12.099 0.052 -3.099 57 HA PRO 8 HA PRO 8 7.306 3.089 -1.564 58 HB2 PRO 8 2HB PRO 8 5.170 4.758 -1.775 59 HB3 PRO 8 1HB PRO 8 6.749 5.116 -2.481 60 HG2 PRO 8 2HG PRO 8 4.319 3.955 -3.791 61 HG3 PRO 8 1HG PRO 8 5.384 5.253 -4.364 62 HD2 PRO 8 2HD PRO 8 5.609 2.749 -5.277 63 HD3 PRO 8 1HD PRO 8 7.037 3.774 -5.024 64 HA PRO 9 HA PRO 9 4.133 0.662 0.556 65 HB2 PRO 9 2HB PRO 9 4.786 2.031 3.017 66 HB3 PRO 9 1HB PRO 9 5.169 0.373 2.563 67 HG2 PRO 9 2HG PRO 9 7.038 2.352 2.852 68 HG3 PRO 9 1HG PRO 9 7.243 0.924 1.827 69 HD2 PRO 9 2HD PRO 9 6.553 3.724 1.068 70 HD3 PRO 9 1HD PRO 9 7.562 2.519 0.236 71 H ARG 10 H ARG 10 2.128 1.319 0.175 72 HA ARG 10 HA ARG 10 1.243 3.833 1.417 73 HB2 ARG 10 2HB ARG 10 0.241 2.575 -1.140 74 HB3 ARG 10 1HB ARG 10 -0.347 4.069 -0.428 75 HG2 ARG 10 2HG ARG 10 1.854 5.091 -0.760 76 HG3 ARG 10 1HG ARG 10 2.431 3.593 -1.489 77 HD2 ARG 10 2HD ARG 10 1.831 5.187 -3.210 78 HD3 ARG 10 1HD ARG 10 0.726 3.812 -3.231 79 HE ARG 10 HE ARG 10 -0.462 5.656 -1.611 80 HH11 ARG 10 1HH1 ARG 10 0.573 5.600 -4.966 81 HH12 ARG 10 2HH1 ARG 10 -0.579 6.732 -5.498 82 HH21 ARG 10 1HH2 ARG 10 -2.003 7.160 -2.280 83 HH22 ARG 10 2HH2 ARG 10 -2.127 7.647 -3.919 84 H CYS 11 H CYS 11 -0.559 3.688 2.660 85 HA CYS 11 HA CYS 11 -1.877 1.084 2.753 86 HB2 CYS 11 2HB CYS 11 -1.269 2.963 5.038 87 HB3 CYS 11 1HB CYS 11 -2.339 1.571 5.165 88 H PHE 12 H PHE 12 -3.933 1.063 2.490 89 HA PHE 12 HA PHE 12 -5.316 3.636 2.239 90 HB2 PHE 12 2HB PHE 12 -5.903 1.000 0.873 91 HB3 PHE 12 1HB PHE 12 -6.713 2.530 0.567 92 HD1 PHE 12 1HD PHE 12 -3.990 0.409 -0.322 93 HD2 PHE 12 2HD PHE 12 -5.289 4.458 -0.347 94 HE1 PHE 12 1HE PHE 12 -2.317 0.935 -2.045 95 HE2 PHE 12 2HE PHE 12 -3.630 4.982 -2.076 96 HZ PHE 12 HZ PHE 12 -2.142 3.227 -2.926 97 HA PRO 13 HA PRO 13 -8.037 2.582 5.562 98 HB2 PRO 13 2HB PRO 13 -10.451 3.501 4.641 99 HB3 PRO 13 1HB PRO 13 -9.176 4.546 5.271 100 HG2 PRO 13 2HG PRO 13 -9.842 3.877 2.431 101 HG3 PRO 13 1HG PRO 13 -9.442 5.451 3.143 102 HD2 PRO 13 2HD PRO 13 -7.625 4.064 1.765 103 HD3 PRO 13 1HD PRO 13 -7.169 4.977 3.216 104 H ASP 14 H ASP 14 -8.589 1.210 2.482 105 HA ASP 14 HA ASP 14 -10.773 -0.479 3.312 106 HB2 ASP 14 2HB ASP 14 -10.582 -1.577 1.106 107 HB3 ASP 14 1HB ASP 14 -10.676 0.165 0.946 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.255 -0.386 4.335 2 HA2 GLY 1 2HA GLY 1 -5.948 -1.515 6.031 3 HA3 GLY 1 1HA GLY 1 -7.093 -2.836 5.940 4 H ARG 2 H ARG 2 -5.419 -1.112 3.308 5 HA ARG 2 HA ARG 2 -4.078 -3.662 2.664 6 HB2 ARG 2 2HB ARG 2 -5.296 -1.835 0.587 7 HB3 ARG 2 1HB ARG 2 -4.445 -3.338 0.291 8 HG2 ARG 2 2HG ARG 2 -6.216 -4.524 1.510 9 HG3 ARG 2 1HG ARG 2 -7.088 -2.999 1.657 10 HD2 ARG 2 2HD ARG 2 -7.048 -2.824 -0.834 11 HD3 ARG 2 1HD ARG 2 -6.364 -4.453 -0.870 12 HE ARG 2 HE ARG 2 -8.870 -3.898 0.490 13 HH11 ARG 2 1HH1 ARG 2 -7.165 -5.570 -2.126 14 HH12 ARG 2 2HH1 ARG 2 -8.434 -6.634 -2.496 15 HH21 ARG 2 1HH2 ARG 2 -10.635 -5.387 -0.002 16 HH22 ARG 2 2HH2 ARG 2 -10.472 -6.532 -1.248 17 H CYS 3 H CYS 3 -1.968 -3.293 2.774 18 HA CYS 3 HA CYS 3 -1.004 -0.706 1.801 19 HB2 CYS 3 2HB CYS 3 0.319 -2.658 3.706 20 HB3 CYS 3 1HB CYS 3 1.034 -1.153 3.135 21 H THR 4 H THR 4 0.574 -0.670 0.250 22 HA THR 4 HA THR 4 0.592 -2.882 -1.480 23 HB THR 4 HB THR 4 2.285 -1.548 -2.762 24 HG1 THR 4 1HG THR 4 3.361 -0.327 -1.408 25 HG21 THR 4 1HG2 THR 4 0.744 0.285 -3.343 26 HG22 THR 4 2HG2 THR 4 -0.185 -0.040 -1.881 27 HG23 THR 4 3HG2 THR 4 -0.118 -1.244 -3.169 28 H LYS 5 H LYS 5 2.094 -4.371 -1.897 29 HA LYS 5 HA LYS 5 3.995 -5.040 0.117 30 HB2 LYS 5 2HB LYS 5 3.660 -6.148 -2.678 31 HB3 LYS 5 1HB LYS 5 4.590 -6.885 -1.387 32 HG2 LYS 5 2HG LYS 5 1.600 -6.499 -1.454 33 HG3 LYS 5 1HG LYS 5 2.471 -8.020 -1.654 34 HD2 LYS 5 2HD LYS 5 3.331 -7.808 0.646 35 HD3 LYS 5 1HD LYS 5 2.430 -6.304 0.831 36 HE2 LYS 5 2HE LYS 5 0.337 -7.537 0.411 37 HE3 LYS 5 1HE LYS 5 1.277 -9.025 0.292 38 HZ1 LYS 5 1HZ LYS 5 1.980 -8.720 2.572 39 HZ2 LYS 5 2HZ LYS 5 0.307 -8.782 2.472 40 HZ3 LYS 5 3HZ LYS 5 1.077 -7.306 2.694 41 H SER 6 H SER 6 3.971 -3.410 -2.922 42 HA SER 6 HA SER 6 6.800 -3.286 -3.256 43 HB2 SER 6 2HB SER 6 6.096 -1.725 -5.089 44 HB3 SER 6 1HB SER 6 5.383 -3.338 -5.193 45 HG SER 6 HG SER 6 3.936 -1.495 -5.487 46 H ILE 7 H ILE 7 8.040 -1.409 -2.977 47 HA ILE 7 HA ILE 7 6.966 0.496 -1.082 48 HB ILE 7 HB ILE 7 9.277 1.415 -0.985 49 HG12 ILE 7 2HG1 ILE 7 9.974 -0.843 -2.890 50 HG13 ILE 7 1HG1 ILE 7 9.951 0.858 -3.307 51 HG21 ILE 7 1HG2 ILE 7 8.632 -0.304 0.579 52 HG22 ILE 7 2HG2 ILE 7 10.320 -0.529 0.115 53 HG23 ILE 7 3HG2 ILE 7 9.070 -1.559 -0.579 54 HD11 ILE 7 1HD1 ILE 7 11.776 -0.443 -1.299 55 HD12 ILE 7 2HD1 ILE 7 11.770 1.265 -1.734 56 HD13 ILE 7 3HD1 ILE 7 12.215 0.051 -2.935 57 HA PRO 8 HA PRO 8 7.450 2.657 -0.453 58 HB2 PRO 8 2HB PRO 8 5.675 4.695 -0.330 59 HB3 PRO 8 1HB PRO 8 7.354 4.929 -0.832 60 HG2 PRO 8 2HG PRO 8 4.889 4.692 -2.507 61 HG3 PRO 8 1HG PRO 8 6.263 5.793 -2.690 62 HD2 PRO 8 2HD PRO 8 5.960 3.521 -4.164 63 HD3 PRO 8 1HD PRO 8 7.539 4.221 -3.766 64 HA PRO 9 HA PRO 9 3.764 0.274 0.464 65 HB2 PRO 9 2HB PRO 9 4.105 1.023 3.281 66 HB3 PRO 9 1HB PRO 9 4.215 -0.573 2.540 67 HG2 PRO 9 2HG PRO 9 6.383 0.711 3.477 68 HG3 PRO 9 1HG PRO 9 6.456 -0.344 2.054 69 HD2 PRO 9 2HD PRO 9 6.340 2.650 2.187 70 HD3 PRO 9 1HD PRO 9 7.325 1.590 1.149 71 H ARG 10 H ARG 10 2.199 1.467 -0.376 72 HA ARG 10 HA ARG 10 1.148 3.776 1.074 73 HB2 ARG 10 2HB ARG 10 0.599 2.666 -1.685 74 HB3 ARG 10 1HB ARG 10 -0.216 4.070 -1.002 75 HG2 ARG 10 2HG ARG 10 1.814 5.321 -0.942 76 HG3 ARG 10 1HG ARG 10 2.767 3.894 -1.349 77 HD2 ARG 10 2HD ARG 10 0.670 5.095 -3.137 78 HD3 ARG 10 1HD ARG 10 2.391 5.471 -3.252 79 HE ARG 10 HE ARG 10 2.559 2.907 -3.503 80 HH11 ARG 10 1HH1 ARG 10 0.002 4.932 -4.914 81 HH12 ARG 10 2HH1 ARG 10 -0.240 3.887 -6.234 82 HH21 ARG 10 1HH2 ARG 10 2.256 1.567 -5.346 83 HH22 ARG 10 2HH2 ARG 10 1.058 1.970 -6.509 84 H CYS 11 H CYS 11 -0.851 3.677 2.043 85 HA CYS 11 HA CYS 11 -2.024 1.015 1.993 86 HB2 CYS 11 2HB CYS 11 -1.900 2.929 4.316 87 HB3 CYS 11 1HB CYS 11 -2.636 1.331 4.312 88 H PHE 12 H PHE 12 -4.007 0.790 1.638 89 HA PHE 12 HA PHE 12 -5.702 3.044 0.980 90 HB2 PHE 12 2HB PHE 12 -6.142 0.047 0.738 91 HB3 PHE 12 1HB PHE 12 -7.215 1.286 0.108 92 HD1 PHE 12 1HD PHE 12 -3.862 -0.255 -0.280 93 HD2 PHE 12 2HD PHE 12 -6.790 2.331 -1.981 94 HE1 PHE 12 1HE PHE 12 -2.620 -0.254 -2.403 95 HE2 PHE 12 2HE PHE 12 -5.549 2.334 -4.102 96 HZ PHE 12 HZ PHE 12 -3.463 1.043 -4.317 97 HA PRO 13 HA PRO 13 -7.566 3.175 4.961 98 HB2 PRO 13 2HB PRO 13 -10.078 3.990 4.338 99 HB3 PRO 13 1HB PRO 13 -8.661 5.047 4.288 100 HG2 PRO 13 2HG PRO 13 -9.982 3.549 2.053 101 HG3 PRO 13 1HG PRO 13 -9.459 5.243 2.091 102 HD2 PRO 13 2HD PRO 13 -7.959 3.392 0.907 103 HD3 PRO 13 1HD PRO 13 -7.206 4.676 1.879 104 H ASP 14 H ASP 14 -8.455 0.668 2.943 105 HA ASP 14 HA ASP 14 -10.500 -0.265 4.825 106 HB2 ASP 14 2HB ASP 14 -11.132 -1.907 3.203 107 HB3 ASP 14 1HB ASP 14 -10.968 -0.378 2.354 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -7.454 -0.193 4.242 2 HA2 GLY 1 2HA GLY 1 -6.278 -1.020 6.100 3 HA3 GLY 1 1HA GLY 1 -7.471 -2.308 6.247 4 H ARG 2 H ARG 2 -5.226 -1.091 3.783 5 HA ARG 2 HA ARG 2 -3.911 -3.644 3.757 6 HB2 ARG 2 2HB ARG 2 -4.157 -4.078 1.391 7 HB3 ARG 2 1HB ARG 2 -5.754 -3.992 2.109 8 HG2 ARG 2 2HG ARG 2 -6.042 -1.743 1.205 9 HG3 ARG 2 1HG ARG 2 -4.409 -1.802 0.536 10 HD2 ARG 2 2HD ARG 2 -5.994 -2.300 -1.216 11 HD3 ARG 2 1HD ARG 2 -5.088 -3.761 -0.816 12 HE ARG 2 HE ARG 2 -7.653 -3.294 0.463 13 HH11 ARG 2 1HH1 ARG 2 -5.746 -5.214 -1.836 14 HH12 ARG 2 2HH1 ARG 2 -6.942 -6.394 -2.079 15 HH21 ARG 2 1HH2 ARG 2 -9.300 -4.915 0.108 16 HH22 ARG 2 2HH2 ARG 2 -9.004 -6.231 -0.937 17 H CYS 3 H CYS 3 -1.836 -3.489 2.911 18 HA CYS 3 HA CYS 3 -1.064 -0.904 1.780 19 HB2 CYS 3 2HB CYS 3 0.550 -2.540 3.765 20 HB3 CYS 3 1HB CYS 3 1.085 -1.055 2.990 21 H THR 4 H THR 4 0.091 -1.090 -0.065 22 HA THR 4 HA THR 4 0.277 -3.656 -1.258 23 HB THR 4 HB THR 4 1.326 -2.422 -3.143 24 HG1 THR 4 1HG THR 4 2.355 -0.745 -2.540 25 HG21 THR 4 1HG2 THR 4 -1.121 -2.555 -3.007 26 HG22 THR 4 2HG2 THR 4 -0.622 -1.003 -3.683 27 HG23 THR 4 3HG2 THR 4 -1.146 -1.107 -2.002 28 H LYS 5 H LYS 5 2.119 -4.836 -1.758 29 HA LYS 5 HA LYS 5 4.400 -4.213 -0.130 30 HB2 LYS 5 2HB LYS 5 3.815 -6.624 -1.860 31 HB3 LYS 5 1HB LYS 5 5.242 -6.425 -0.849 32 HG2 LYS 5 2HG LYS 5 3.817 -6.283 1.128 33 HG3 LYS 5 1HG LYS 5 2.401 -6.527 0.108 34 HD2 LYS 5 2HD LYS 5 3.195 -8.713 -0.532 35 HD3 LYS 5 1HD LYS 5 4.687 -8.468 0.382 36 HE2 LYS 5 2HE LYS 5 1.898 -8.550 1.520 37 HE3 LYS 5 1HE LYS 5 3.086 -9.846 1.620 38 HZ1 LYS 5 1HZ LYS 5 3.088 -8.592 3.666 39 HZ2 LYS 5 2HZ LYS 5 3.292 -7.145 2.843 40 HZ3 LYS 5 3HZ LYS 5 4.537 -8.254 2.866 41 H SER 6 H SER 6 4.904 -2.398 -1.194 42 HA SER 6 HA SER 6 6.651 -2.754 -3.455 43 HB2 SER 6 2HB SER 6 5.539 -0.769 -4.539 44 HB3 SER 6 1HB SER 6 4.551 -2.231 -4.534 45 HG SER 6 HG SER 6 4.177 0.180 -3.259 46 H ILE 7 H ILE 7 7.805 -0.530 -3.711 47 HA ILE 7 HA ILE 7 7.872 0.820 -1.125 48 HB ILE 7 HB ILE 7 10.138 0.475 -3.124 49 HG12 ILE 7 2HG1 ILE 7 9.746 -1.521 -1.741 50 HG13 ILE 7 1HG1 ILE 7 11.287 -0.771 -1.340 51 HG21 ILE 7 1HG2 ILE 7 10.152 2.022 -0.532 52 HG22 ILE 7 2HG2 ILE 7 10.257 2.700 -2.157 53 HG23 ILE 7 3HG2 ILE 7 11.567 1.694 -1.535 54 HD11 ILE 7 1HD1 ILE 7 8.725 -0.585 0.243 55 HD12 ILE 7 2HD1 ILE 7 10.234 0.229 0.651 56 HD13 ILE 7 3HD1 ILE 7 10.154 -1.532 0.657 57 HA PRO 8 HA PRO 8 7.509 2.487 -0.203 58 HB2 PRO 8 2HB PRO 8 5.667 4.363 0.280 59 HB3 PRO 8 1HB PRO 8 7.341 4.787 -0.108 60 HG2 PRO 8 2HG PRO 8 4.942 4.764 -1.901 61 HG3 PRO 8 1HG PRO 8 6.196 6.007 -1.735 62 HD2 PRO 8 2HD PRO 8 6.188 4.130 -3.718 63 HD3 PRO 8 1HD PRO 8 7.668 4.868 -3.078 64 HA PRO 9 HA PRO 9 3.801 -0.062 0.021 65 HB2 PRO 9 2HB PRO 9 3.546 0.598 2.873 66 HB3 PRO 9 1HB PRO 9 3.917 -0.957 2.127 67 HG2 PRO 9 2HG PRO 9 5.764 0.437 3.504 68 HG3 PRO 9 1HG PRO 9 6.188 -0.550 2.093 69 HD2 PRO 9 2HD PRO 9 5.814 2.417 2.286 70 HD3 PRO 9 1HD PRO 9 7.062 1.479 1.433 71 H ARG 10 H ARG 10 1.998 0.720 -0.828 72 HA ARG 10 HA ARG 10 0.899 3.256 0.029 73 HB2 ARG 10 2HB ARG 10 0.090 1.316 -2.139 74 HB3 ARG 10 1HB ARG 10 -0.610 2.909 -1.893 75 HG2 ARG 10 2HG ARG 10 1.400 3.995 -2.515 76 HG3 ARG 10 1HG ARG 10 2.317 2.493 -2.416 77 HD2 ARG 10 2HD ARG 10 1.875 3.120 -4.734 78 HD3 ARG 10 1HD ARG 10 1.096 1.602 -4.301 79 HE ARG 10 HE ARG 10 -0.507 4.003 -4.116 80 HH11 ARG 10 1HH1 ARG 10 0.365 1.134 -5.999 81 HH12 ARG 10 2HH1 ARG 10 -0.984 1.223 -7.032 82 HH21 ARG 10 1HH2 ARG 10 -2.393 4.124 -5.558 83 HH22 ARG 10 2HH2 ARG 10 -2.598 2.944 -6.756 84 H CYS 11 H CYS 11 -0.341 3.165 1.776 85 HA CYS 11 HA CYS 11 -1.964 0.812 2.272 86 HB2 CYS 11 2HB CYS 11 -1.350 3.189 4.034 87 HB3 CYS 11 1HB CYS 11 -2.260 1.760 4.516 88 H PHE 12 H PHE 12 -4.075 0.809 2.170 89 HA PHE 12 HA PHE 12 -5.414 3.308 1.407 90 HB2 PHE 12 2HB PHE 12 -6.065 0.466 0.581 91 HB3 PHE 12 1HB PHE 12 -7.031 1.874 0.160 92 HD1 PHE 12 1HD PHE 12 -4.175 -0.138 -0.686 93 HD2 PHE 12 2HD PHE 12 -5.988 3.665 -1.278 94 HE1 PHE 12 1HE PHE 12 -2.778 0.216 -2.672 95 HE2 PHE 12 2HE PHE 12 -4.587 4.019 -3.266 96 HZ PHE 12 HZ PHE 12 -2.983 2.292 -3.965 97 HA PRO 13 HA PRO 13 -7.923 3.411 4.998 98 HB2 PRO 13 2HB PRO 13 -10.439 3.695 3.794 99 HB3 PRO 13 1HB PRO 13 -9.354 4.993 4.285 100 HG2 PRO 13 2HG PRO 13 -9.744 3.758 1.603 101 HG3 PRO 13 1HG PRO 13 -9.375 5.436 2.026 102 HD2 PRO 13 2HD PRO 13 -7.501 3.849 1.020 103 HD3 PRO 13 1HD PRO 13 -7.110 4.992 2.323 104 H ASP 14 H ASP 14 -8.819 1.031 2.607 105 HA ASP 14 HA ASP 14 -10.793 -0.246 4.263 106 HB2 ASP 14 2HB ASP 14 -10.771 -2.086 2.635 107 HB3 ASP 14 1HB ASP 14 -10.907 -0.535 1.825 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.358 -0.270 4.478 2 HA2 GLY 1 2HA GLY 1 -5.987 -1.437 5.936 3 HA3 GLY 1 1HA GLY 1 -7.062 -2.825 5.795 4 H ARG 2 H ARG 2 -5.553 -1.062 3.210 5 HA ARG 2 HA ARG 2 -4.210 -3.565 2.379 6 HB2 ARG 2 2HB ARG 2 -6.114 -2.629 1.000 7 HB3 ARG 2 1HB ARG 2 -5.063 -1.273 0.650 8 HG2 ARG 2 2HG ARG 2 -3.406 -3.032 -0.196 9 HG3 ARG 2 1HG ARG 2 -4.790 -4.125 -0.200 10 HD2 ARG 2 2HD ARG 2 -4.271 -1.697 -1.859 11 HD3 ARG 2 1HD ARG 2 -4.873 -3.276 -2.352 12 HE ARG 2 HE ARG 2 -6.778 -2.048 -0.682 13 HH11 ARG 2 1HH1 ARG 2 -5.568 -1.902 -4.025 14 HH12 ARG 2 2HH1 ARG 2 -6.818 -0.874 -4.540 15 HH21 ARG 2 1HH2 ARG 2 -8.403 -0.630 -1.398 16 HH22 ARG 2 2HH2 ARG 2 -8.504 -0.173 -3.055 17 H CYS 3 H CYS 3 -2.045 -3.273 2.814 18 HA CYS 3 HA CYS 3 -0.916 -0.693 2.028 19 HB2 CYS 3 2HB CYS 3 0.153 -2.718 4.016 20 HB3 CYS 3 1HB CYS 3 0.971 -1.233 3.541 21 H THR 4 H THR 4 0.557 -0.727 0.435 22 HA THR 4 HA THR 4 0.653 -3.035 -1.163 23 HB THR 4 HB THR 4 2.223 -1.661 -2.578 24 HG1 THR 4 1HG THR 4 3.205 -0.185 -1.549 25 HG21 THR 4 1HG2 THR 4 -0.213 -1.572 -2.917 26 HG22 THR 4 2HG2 THR 4 0.526 0.003 -3.209 27 HG23 THR 4 3HG2 THR 4 -0.324 -0.307 -1.693 28 H LYS 5 H LYS 5 2.143 -4.556 -1.427 29 HA LYS 5 HA LYS 5 4.352 -4.713 0.383 30 HB2 LYS 5 2HB LYS 5 4.887 -6.836 -0.794 31 HB3 LYS 5 1HB LYS 5 3.222 -6.777 -0.247 32 HG2 LYS 5 2HG LYS 5 2.520 -6.215 -2.551 33 HG3 LYS 5 1HG LYS 5 4.201 -6.355 -3.064 34 HD2 LYS 5 2HD LYS 5 4.235 -8.693 -2.346 35 HD3 LYS 5 1HD LYS 5 2.566 -8.551 -1.800 36 HE2 LYS 5 2HE LYS 5 2.663 -9.646 -3.967 37 HE3 LYS 5 1HE LYS 5 1.854 -8.089 -4.100 38 HZ1 LYS 5 1HZ LYS 5 3.926 -7.156 -5.011 39 HZ2 LYS 5 2HZ LYS 5 3.428 -8.502 -5.909 40 HZ3 LYS 5 3HZ LYS 5 4.674 -8.654 -4.844 41 H SER 6 H SER 6 3.751 -3.561 -2.767 42 HA SER 6 HA SER 6 6.484 -3.317 -3.539 43 HB2 SER 6 2HB SER 6 5.494 -1.859 -5.360 44 HB3 SER 6 1HB SER 6 4.853 -3.499 -5.312 45 HG SER 6 HG SER 6 3.642 -1.087 -4.455 46 H ILE 7 H ILE 7 7.720 -1.511 -3.396 47 HA ILE 7 HA ILE 7 6.885 0.354 -1.340 48 HB ILE 7 HB ILE 7 9.272 1.068 -1.335 49 HG12 ILE 7 2HG1 ILE 7 9.662 -1.197 -3.319 50 HG13 ILE 7 1HG1 ILE 7 9.748 0.512 -3.726 51 HG21 ILE 7 1HG2 ILE 7 10.164 -1.012 -0.349 52 HG22 ILE 7 2HG2 ILE 7 8.785 -1.891 -1.009 53 HG23 ILE 7 3HG2 ILE 7 8.531 -0.640 0.206 54 HD11 ILE 7 1HD1 ILE 7 11.683 0.744 -2.248 55 HD12 ILE 7 2HD1 ILE 7 11.950 -0.466 -3.503 56 HD13 ILE 7 3HD1 ILE 7 11.574 -0.971 -1.855 57 HA PRO 8 HA PRO 8 7.565 2.391 -0.641 58 HB2 PRO 8 2HB PRO 8 5.774 4.693 -0.848 59 HB3 PRO 8 1HB PRO 8 7.465 4.653 -0.343 60 HG2 PRO 8 2HG PRO 8 6.688 5.776 -2.678 61 HG3 PRO 8 1HG PRO 8 8.254 4.976 -2.484 62 HD2 PRO 8 2HD PRO 8 5.725 3.901 -3.691 63 HD3 PRO 8 1HD PRO 8 7.392 3.795 -4.298 64 HA PRO 9 HA PRO 9 3.756 0.429 0.492 65 HB2 PRO 9 2HB PRO 9 3.993 1.446 3.226 66 HB3 PRO 9 1HB PRO 9 4.133 -0.213 2.639 67 HG2 PRO 9 2HG PRO 9 6.264 1.165 3.540 68 HG3 PRO 9 1HG PRO 9 6.391 -0.016 2.225 69 HD2 PRO 9 2HD PRO 9 6.243 2.970 2.075 70 HD3 PRO 9 1HD PRO 9 7.294 1.839 1.192 71 H ARG 10 H ARG 10 1.985 1.264 -0.244 72 HA ARG 10 HA ARG 10 0.898 3.729 0.886 73 HB2 ARG 10 2HB ARG 10 0.349 2.175 -1.627 74 HB3 ARG 10 1HB ARG 10 -0.808 3.348 -1.018 75 HG2 ARG 10 2HG ARG 10 2.060 4.000 -1.619 76 HG3 ARG 10 1HG ARG 10 0.740 4.202 -2.777 77 HD2 ARG 10 2HD ARG 10 -0.399 5.709 -1.236 78 HD3 ARG 10 1HD ARG 10 0.871 5.481 -0.047 79 HE ARG 10 HE ARG 10 2.373 6.544 -1.560 80 HH11 ARG 10 1HH1 ARG 10 -1.064 6.967 -2.343 81 HH12 ARG 10 2HH1 ARG 10 -0.868 8.501 -3.021 82 HH21 ARG 10 1HH2 ARG 10 2.643 8.689 -2.481 83 HH22 ARG 10 2HH2 ARG 10 1.300 9.516 -3.101 84 H CYS 11 H CYS 11 -0.570 3.544 2.430 85 HA CYS 11 HA CYS 11 -2.008 1.034 2.580 86 HB2 CYS 11 2HB CYS 11 -1.491 3.103 4.729 87 HB3 CYS 11 1HB CYS 11 -2.492 1.673 4.935 88 H PHE 12 H PHE 12 -3.933 1.005 2.017 89 HA PHE 12 HA PHE 12 -5.422 3.464 1.514 90 HB2 PHE 12 2HB PHE 12 -5.987 0.591 0.717 91 HB3 PHE 12 1HB PHE 12 -6.893 1.997 0.189 92 HD1 PHE 12 1HD PHE 12 -3.712 0.175 -0.135 93 HD2 PHE 12 2HD PHE 12 -6.069 3.421 -1.550 94 HE1 PHE 12 1HE PHE 12 -2.227 0.404 -2.071 95 HE2 PHE 12 2HE PHE 12 -4.583 3.655 -3.476 96 HZ PHE 12 HZ PHE 12 -2.653 2.143 -3.739 97 HA PRO 13 HA PRO 13 -7.981 2.959 5.099 98 HB2 PRO 13 2HB PRO 13 -10.453 3.651 4.115 99 HB3 PRO 13 1HB PRO 13 -9.186 4.804 4.542 100 HG2 PRO 13 2HG PRO 13 -9.890 3.682 1.863 101 HG3 PRO 13 1HG PRO 13 -9.518 5.360 2.305 102 HD2 PRO 13 2HD PRO 13 -7.701 3.820 1.117 103 HD3 PRO 13 1HD PRO 13 -7.236 4.943 2.413 104 H ASP 14 H ASP 14 -8.292 0.786 2.591 105 HA ASP 14 HA ASP 14 -10.415 -0.718 3.925 106 HB2 ASP 14 2HB ASP 14 -10.348 -2.244 1.960 107 HB3 ASP 14 1HB ASP 14 -10.682 -0.583 1.502 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -7.360 -0.423 4.409 2 HA2 GLY 1 2HA GLY 1 -6.154 -1.914 5.761 3 HA3 GLY 1 1HA GLY 1 -7.433 -3.110 5.548 4 H ARG 2 H ARG 2 -5.281 -1.257 3.508 5 HA ARG 2 HA ARG 2 -4.381 -3.668 2.173 6 HB2 ARG 2 2HB ARG 2 -6.352 -3.163 0.936 7 HB3 ARG 2 1HB ARG 2 -5.969 -1.456 0.918 8 HG2 ARG 2 2HG ARG 2 -4.177 -1.853 -0.663 9 HG3 ARG 2 1HG ARG 2 -4.462 -3.593 -0.578 10 HD2 ARG 2 2HD ARG 2 -5.515 -2.369 -2.557 11 HD3 ARG 2 1HD ARG 2 -6.575 -3.415 -1.613 12 HE ARG 2 HE ARG 2 -7.137 -1.174 -0.417 13 HH11 ARG 2 1HH1 ARG 2 -6.700 -1.544 -3.912 14 HH12 ARG 2 2HH1 ARG 2 -7.722 -0.229 -4.278 15 HH21 ARG 2 1HH2 ARG 2 -8.437 0.478 -0.885 16 HH22 ARG 2 2HH2 ARG 2 -8.767 1.006 -2.492 17 H CYS 3 H CYS 3 -2.254 -3.424 2.242 18 HA CYS 3 HA CYS 3 -1.101 -0.799 1.625 19 HB2 CYS 3 2HB CYS 3 -0.111 -2.871 3.587 20 HB3 CYS 3 1HB CYS 3 0.811 -1.465 3.076 21 H THR 4 H THR 4 0.369 -0.816 0.028 22 HA THR 4 HA THR 4 0.761 -3.176 -1.454 23 HB THR 4 HB THR 4 2.393 -1.778 -2.744 24 HG1 THR 4 1HG THR 4 3.221 -0.192 -1.683 25 HG21 THR 4 1HG2 THR 4 -0.275 -0.473 -2.176 26 HG22 THR 4 2HG2 THR 4 0.019 -1.766 -3.340 27 HG23 THR 4 3HG2 THR 4 0.730 -0.173 -3.594 28 H LYS 5 H LYS 5 2.386 -4.622 -1.343 29 HA LYS 5 HA LYS 5 4.312 -4.320 0.788 30 HB2 LYS 5 2HB LYS 5 3.996 -6.570 -1.227 31 HB3 LYS 5 1HB LYS 5 5.022 -6.609 0.200 32 HG2 LYS 5 2HG LYS 5 2.010 -6.426 0.186 33 HG3 LYS 5 1HG LYS 5 2.968 -7.854 0.577 34 HD2 LYS 5 2HD LYS 5 3.895 -6.741 2.530 35 HD3 LYS 5 1HD LYS 5 3.068 -5.246 2.106 36 HE2 LYS 5 2HE LYS 5 1.874 -6.391 3.879 37 HE3 LYS 5 1HE LYS 5 0.907 -6.360 2.412 38 HZ1 LYS 5 1HZ LYS 5 2.500 -8.674 3.367 39 HZ2 LYS 5 2HZ LYS 5 1.513 -8.657 1.991 40 HZ3 LYS 5 3HZ LYS 5 0.842 -8.492 3.519 41 H SER 6 H SER 6 4.043 -3.590 -2.455 42 HA SER 6 HA SER 6 6.830 -3.410 -3.014 43 HB2 SER 6 2HB SER 6 5.837 -2.102 -5.004 44 HB3 SER 6 1HB SER 6 5.460 -3.821 -4.899 45 HG SER 6 HG SER 6 3.480 -3.245 -4.919 46 H ILE 7 H ILE 7 8.013 -1.512 -2.968 47 HA ILE 7 HA ILE 7 7.028 0.543 -1.165 48 HB ILE 7 HB ILE 7 9.771 0.182 -2.458 49 HG12 ILE 7 2HG1 ILE 7 9.243 -1.757 -1.080 50 HG13 ILE 7 1HG1 ILE 7 10.499 -0.789 -0.318 51 HG21 ILE 7 1HG2 ILE 7 10.638 1.647 -0.728 52 HG22 ILE 7 2HG2 ILE 7 9.036 1.810 -0.033 53 HG23 ILE 7 3HG2 ILE 7 9.366 2.470 -1.638 54 HD11 ILE 7 1HD1 ILE 7 8.820 0.148 1.209 55 HD12 ILE 7 2HD1 ILE 7 8.920 -1.608 1.323 56 HD13 ILE 7 3HD1 ILE 7 7.582 -0.856 0.454 57 HA PRO 8 HA PRO 8 7.389 2.866 -0.775 58 HB2 PRO 8 2HB PRO 8 5.542 4.828 -0.893 59 HB3 PRO 8 1HB PRO 8 7.202 5.068 -1.446 60 HG2 PRO 8 2HG PRO 8 4.745 4.465 -3.041 61 HG3 PRO 8 1HG PRO 8 6.027 5.646 -3.370 62 HD2 PRO 8 2HD PRO 8 5.917 3.226 -4.580 63 HD3 PRO 8 1HD PRO 8 7.450 4.047 -4.221 64 HA PRO 9 HA PRO 9 3.957 0.470 0.673 65 HB2 PRO 9 2HB PRO 9 3.883 1.408 3.253 66 HB3 PRO 9 1HB PRO 9 5.040 0.194 2.689 67 HG2 PRO 9 2HG PRO 9 5.408 3.121 3.119 68 HG3 PRO 9 1HG PRO 9 6.535 1.791 3.430 69 HD2 PRO 9 2HD PRO 9 6.721 3.418 1.272 70 HD3 PRO 9 1HD PRO 9 7.244 1.722 1.256 71 H ARG 10 H ARG 10 2.224 1.226 -0.361 72 HA ARG 10 HA ARG 10 1.012 3.756 0.437 73 HB2 ARG 10 2HB ARG 10 1.573 3.185 -1.951 74 HB3 ARG 10 1HB ARG 10 0.391 1.898 -1.849 75 HG2 ARG 10 2HG ARG 10 -1.364 3.571 -1.452 76 HG3 ARG 10 1HG ARG 10 -0.146 4.845 -1.604 77 HD2 ARG 10 2HD ARG 10 -0.926 2.842 -3.723 78 HD3 ARG 10 1HD ARG 10 -1.308 4.560 -3.722 79 HE ARG 10 HE ARG 10 0.990 5.044 -4.063 80 HH11 ARG 10 1HH1 ARG 10 0.145 1.625 -4.521 81 HH12 ARG 10 2HH1 ARG 10 1.563 1.232 -5.361 82 HH21 ARG 10 1HH2 ARG 10 2.922 4.496 -5.258 83 HH22 ARG 10 2HH2 ARG 10 3.179 2.915 -5.843 84 H CYS 11 H CYS 11 -0.539 3.542 1.956 85 HA CYS 11 HA CYS 11 -1.991 1.016 2.035 86 HB2 CYS 11 2HB CYS 11 -1.449 2.964 4.282 87 HB3 CYS 11 1HB CYS 11 -2.462 1.535 4.393 88 H PHE 12 H PHE 12 -4.119 1.024 2.204 89 HA PHE 12 HA PHE 12 -5.435 3.591 1.889 90 HB2 PHE 12 2HB PHE 12 -6.256 0.900 0.756 91 HB3 PHE 12 1HB PHE 12 -7.136 2.407 0.548 92 HD1 PHE 12 1HD PHE 12 -4.563 0.289 -0.726 93 HD2 PHE 12 2HD PHE 12 -5.974 4.296 -0.692 94 HE1 PHE 12 1HE PHE 12 -3.251 0.763 -2.755 95 HE2 PHE 12 2HE PHE 12 -4.671 4.779 -2.716 96 HZ PHE 12 HZ PHE 12 -3.306 3.001 -3.752 97 HA PRO 13 HA PRO 13 -7.465 2.756 5.704 98 HB2 PRO 13 2HB PRO 13 -10.004 3.650 4.490 99 HB3 PRO 13 1HB PRO 13 -9.133 4.286 5.891 100 HG2 PRO 13 2HG PRO 13 -9.136 5.624 3.616 101 HG3 PRO 13 1HG PRO 13 -7.660 5.505 4.593 102 HD2 PRO 13 2HD PRO 13 -8.411 3.989 2.120 103 HD3 PRO 13 1HD PRO 13 -6.862 4.745 2.566 104 H ASP 14 H ASP 14 -8.557 1.137 2.900 105 HA ASP 14 HA ASP 14 -10.641 -0.348 4.207 106 HB2 ASP 14 2HB ASP 14 -10.859 -1.592 2.158 107 HB3 ASP 14 1HB ASP 14 -10.671 0.107 1.744 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -7.585 -0.622 4.457 2 HA2 GLY 1 2HA GLY 1 -6.534 -2.074 5.950 3 HA3 GLY 1 1HA GLY 1 -7.765 -3.282 5.599 4 H ARG 2 H ARG 2 -5.331 -1.510 3.765 5 HA ARG 2 HA ARG 2 -4.018 -3.897 2.883 6 HB2 ARG 2 2HB ARG 2 -5.967 -3.974 1.454 7 HB3 ARG 2 1HB ARG 2 -5.799 -2.277 1.065 8 HG2 ARG 2 2HG ARG 2 -3.771 -2.774 -0.208 9 HG3 ARG 2 1HG ARG 2 -3.933 -4.481 0.215 10 HD2 ARG 2 2HD ARG 2 -4.830 -3.858 -2.048 11 HD3 ARG 2 1HD ARG 2 -5.968 -4.688 -0.988 12 HE ARG 2 HE ARG 2 -6.846 -2.405 -0.452 13 HH11 ARG 2 1HH1 ARG 2 -5.418 -3.085 -3.629 14 HH12 ARG 2 2HH1 ARG 2 -6.250 -1.820 -4.400 15 HH21 ARG 2 1HH2 ARG 2 -7.903 -0.725 -1.461 16 HH22 ARG 2 2HH2 ARG 2 -7.741 -0.414 -3.149 17 H CYS 3 H CYS 3 -1.991 -3.342 2.023 18 HA CYS 3 HA CYS 3 -1.409 -0.504 1.623 19 HB2 CYS 3 2HB CYS 3 0.318 -2.380 3.281 20 HB3 CYS 3 1HB CYS 3 0.664 -0.697 2.921 21 H THR 4 H THR 4 0.514 -0.235 0.248 22 HA THR 4 HA THR 4 0.780 -2.407 -1.541 23 HB THR 4 HB THR 4 2.642 -0.985 -2.536 24 HG1 THR 4 1HG THR 4 3.109 0.869 -1.650 25 HG21 THR 4 1HG2 THR 4 -0.118 0.211 -2.301 26 HG22 THR 4 2HG2 THR 4 0.415 -0.973 -3.499 27 HG23 THR 4 3HG2 THR 4 1.075 0.660 -3.517 28 H LYS 5 H LYS 5 1.985 -4.019 -1.344 29 HA LYS 5 HA LYS 5 3.842 -4.344 0.818 30 HB2 LYS 5 2HB LYS 5 3.375 -6.130 -1.583 31 HB3 LYS 5 1HB LYS 5 4.128 -6.597 -0.065 32 HG2 LYS 5 2HG LYS 5 2.003 -6.212 1.098 33 HG3 LYS 5 1HG LYS 5 1.250 -5.780 -0.437 34 HD2 LYS 5 2HD LYS 5 1.856 -8.052 -1.279 35 HD3 LYS 5 1HD LYS 5 2.431 -8.434 0.338 36 HE2 LYS 5 2HE LYS 5 0.189 -9.295 0.050 37 HE3 LYS 5 1HE LYS 5 0.183 -8.000 1.242 38 HZ1 LYS 5 1HZ LYS 5 -1.678 -7.837 -0.262 39 HZ2 LYS 5 2HZ LYS 5 -0.683 -7.798 -1.595 40 HZ3 LYS 5 3HZ LYS 5 -0.682 -6.500 -0.509 41 H SER 6 H SER 6 3.841 -3.706 -2.563 42 HA SER 6 HA SER 6 6.668 -3.743 -2.890 43 HB2 SER 6 2HB SER 6 5.903 -2.825 -5.161 44 HB3 SER 6 1HB SER 6 5.401 -4.468 -4.749 45 HG SER 6 HG SER 6 3.870 -2.513 -5.460 46 H ILE 7 H ILE 7 7.937 -2.017 -2.749 47 HA ILE 7 HA ILE 7 7.018 0.340 -1.467 48 HB ILE 7 HB ILE 7 9.376 1.117 -1.716 49 HG12 ILE 7 2HG1 ILE 7 9.761 -1.537 -3.140 50 HG13 ILE 7 1HG1 ILE 7 9.836 0.045 -3.903 51 HG21 ILE 7 1HG2 ILE 7 9.026 -1.698 -0.689 52 HG22 ILE 7 2HG2 ILE 7 8.715 -0.220 0.217 53 HG23 ILE 7 3HG2 ILE 7 10.358 -0.622 -0.279 54 HD11 ILE 7 1HD1 ILE 7 11.780 0.593 -2.544 55 HD12 ILE 7 2HD1 ILE 7 12.047 -0.860 -3.511 56 HD13 ILE 7 3HD1 ILE 7 11.698 -0.995 -1.786 57 HA PRO 8 HA PRO 8 7.671 2.560 -1.242 58 HB2 PRO 8 2HB PRO 8 6.048 4.727 -1.390 59 HB3 PRO 8 1HB PRO 8 7.703 4.739 -2.010 60 HG2 PRO 8 2HG PRO 8 5.131 4.363 -3.488 61 HG3 PRO 8 1HG PRO 8 6.535 5.350 -3.932 62 HD2 PRO 8 2HD PRO 8 6.065 2.900 -4.992 63 HD3 PRO 8 1HD PRO 8 7.702 3.535 -4.737 64 HA PRO 9 HA PRO 9 3.955 0.684 0.328 65 HB2 PRO 9 2HB PRO 9 4.401 1.016 2.953 66 HB3 PRO 9 1HB PRO 9 5.342 -0.115 1.977 67 HG2 PRO 9 2HG PRO 9 6.064 2.633 2.890 68 HG3 PRO 9 1HG PRO 9 7.068 1.172 2.851 69 HD2 PRO 9 2HD PRO 9 7.152 3.139 0.953 70 HD3 PRO 9 1HD PRO 9 7.578 1.446 0.638 71 H ARG 10 H ARG 10 2.085 1.602 0.160 72 HA ARG 10 HA ARG 10 1.429 4.031 1.696 73 HB2 ARG 10 2HB ARG 10 1.605 4.405 -0.793 74 HB3 ARG 10 1HB ARG 10 0.344 3.206 -1.009 75 HG2 ARG 10 2HG ARG 10 -1.174 4.637 0.345 76 HG3 ARG 10 1HG ARG 10 0.092 5.865 0.378 77 HD2 ARG 10 2HD ARG 10 -1.274 4.757 -2.073 78 HD3 ARG 10 1HD ARG 10 -1.510 6.357 -1.374 79 HE ARG 10 HE ARG 10 1.204 5.956 -1.997 80 HH11 ARG 10 1HH1 ARG 10 -1.899 6.552 -3.607 81 HH12 ARG 10 2HH1 ARG 10 -1.201 7.316 -4.955 82 HH21 ARG 10 1HH2 ARG 10 2.140 6.951 -3.844 83 HH22 ARG 10 2HH2 ARG 10 1.165 7.521 -5.118 84 H CYS 11 H CYS 11 -0.437 3.771 2.907 85 HA CYS 11 HA CYS 11 -1.755 1.196 2.628 86 HB2 CYS 11 2HB CYS 11 -1.510 3.015 5.012 87 HB3 CYS 11 1HB CYS 11 -2.578 1.614 4.966 88 H PHE 12 H PHE 12 -3.887 0.973 2.504 89 HA PHE 12 HA PHE 12 -5.343 3.374 1.718 90 HB2 PHE 12 2HB PHE 12 -5.883 0.508 0.905 91 HB3 PHE 12 1HB PHE 12 -6.582 1.964 0.206 92 HD1 PHE 12 1HD PHE 12 -4.109 -0.492 -0.150 93 HD2 PHE 12 2HD PHE 12 -4.827 3.644 -0.828 94 HE1 PHE 12 1HE PHE 12 -2.278 -0.448 -1.791 95 HE2 PHE 12 2HE PHE 12 -3.006 3.690 -2.476 96 HZ PHE 12 HZ PHE 12 -1.726 1.645 -2.955 97 HA PRO 13 HA PRO 13 -7.980 2.748 5.225 98 HB2 PRO 13 2HB PRO 13 -10.297 3.462 3.536 99 HB3 PRO 13 1HB PRO 13 -9.676 4.253 4.986 100 HG2 PRO 13 2HG PRO 13 -9.347 5.355 2.584 101 HG3 PRO 13 1HG PRO 13 -8.071 5.441 3.811 102 HD2 PRO 13 2HD PRO 13 -8.278 3.650 1.418 103 HD3 PRO 13 1HD PRO 13 -6.877 4.523 2.075 104 H ASP 14 H ASP 14 -8.365 0.765 2.518 105 HA ASP 14 HA ASP 14 -10.654 -0.654 3.627 106 HB2 ASP 14 2HB ASP 14 -10.655 -2.032 1.623 107 HB3 ASP 14 1HB ASP 14 -10.574 -0.336 1.179 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -7.156 -0.188 4.503 2 HA2 GLY 1 2HA GLY 1 -5.658 -1.220 6.106 3 HA3 GLY 1 1HA GLY 1 -6.838 -2.505 6.299 4 H ARG 2 H ARG 2 -5.491 -1.088 3.354 5 HA ARG 2 HA ARG 2 -4.296 -3.722 2.763 6 HB2 ARG 2 2HB ARG 2 -5.576 -1.831 0.794 7 HB3 ARG 2 1HB ARG 2 -4.748 -3.318 0.391 8 HG2 ARG 2 2HG ARG 2 -6.453 -4.586 1.564 9 HG3 ARG 2 1HG ARG 2 -7.271 -3.079 1.995 10 HD2 ARG 2 2HD ARG 2 -7.577 -2.554 -0.325 11 HD3 ARG 2 1HD ARG 2 -6.732 -4.026 -0.809 12 HE ARG 2 HE ARG 2 -8.938 -4.494 0.912 13 HH11 ARG 2 1HH1 ARG 2 -8.103 -3.790 -2.441 14 HH12 ARG 2 2HH1 ARG 2 -9.427 -4.613 -3.118 15 HH21 ARG 2 1HH2 ARG 2 -10.801 -5.592 0.000 16 HH22 ARG 2 2HH2 ARG 2 -11.016 -5.641 -1.695 17 H CYS 3 H CYS 3 -2.138 -3.409 2.857 18 HA CYS 3 HA CYS 3 -1.129 -0.951 1.618 19 HB2 CYS 3 2HB CYS 3 0.162 -2.732 3.702 20 HB3 CYS 3 1HB CYS 3 0.960 -1.371 2.923 21 H THR 4 H THR 4 0.119 -1.128 -0.147 22 HA THR 4 HA THR 4 0.202 -3.640 -1.425 23 HB THR 4 HB THR 4 1.440 -2.416 -3.196 24 HG1 THR 4 1HG THR 4 2.504 -0.766 -2.532 25 HG21 THR 4 1HG2 THR 4 -0.392 -0.871 -3.775 26 HG22 THR 4 2HG2 THR 4 -1.003 -0.990 -2.124 27 HG23 THR 4 3HG2 THR 4 -1.014 -2.409 -3.171 28 H LYS 5 H LYS 5 1.999 -4.858 -1.962 29 HA LYS 5 HA LYS 5 4.287 -4.546 -0.242 30 HB2 LYS 5 2HB LYS 5 3.754 -6.594 -2.412 31 HB3 LYS 5 1HB LYS 5 5.122 -6.625 -1.318 32 HG2 LYS 5 2HG LYS 5 2.218 -6.947 -0.554 33 HG3 LYS 5 1HG LYS 5 3.420 -8.230 -0.649 34 HD2 LYS 5 2HD LYS 5 3.427 -5.895 1.283 35 HD3 LYS 5 1HD LYS 5 3.044 -7.568 1.669 36 HE2 LYS 5 2HE LYS 5 5.718 -6.513 0.738 37 HE3 LYS 5 1HE LYS 5 5.309 -7.008 2.374 38 HZ1 LYS 5 1HZ LYS 5 6.535 -8.717 1.215 39 HZ2 LYS 5 2HZ LYS 5 5.392 -8.802 -0.003 40 HZ3 LYS 5 3HZ LYS 5 4.988 -9.285 1.550 41 H SER 6 H SER 6 4.897 -2.548 -1.019 42 HA SER 6 HA SER 6 6.760 -2.640 -3.196 43 HB2 SER 6 2HB SER 6 5.781 -0.642 -4.291 44 HB3 SER 6 1HB SER 6 4.653 -1.996 -4.345 45 HG SER 6 HG SER 6 4.600 0.248 -2.584 46 H ILE 7 H ILE 7 8.009 -0.563 -3.118 47 HA ILE 7 HA ILE 7 7.757 0.781 -0.542 48 HB ILE 7 HB ILE 7 10.313 0.209 -2.095 49 HG12 ILE 7 2HG1 ILE 7 9.506 -1.798 -0.935 50 HG13 ILE 7 1HG1 ILE 7 10.983 -1.205 -0.192 51 HG21 ILE 7 1HG2 ILE 7 11.514 1.217 -0.204 52 HG22 ILE 7 2HG2 ILE 7 9.972 1.642 0.537 53 HG23 ILE 7 3HG2 ILE 7 10.440 2.369 -1.000 54 HD11 ILE 7 1HD1 ILE 7 9.634 -0.197 1.610 55 HD12 ILE 7 2HD1 ILE 7 9.410 -1.940 1.495 56 HD13 ILE 7 3HD1 ILE 7 8.177 -0.853 0.863 57 HA PRO 8 HA PRO 8 7.404 2.582 0.256 58 HB2 PRO 8 2HB PRO 8 5.416 4.613 -0.414 59 HB3 PRO 8 1HB PRO 8 6.801 4.747 0.671 60 HG2 PRO 8 2HG PRO 8 6.698 6.073 -1.664 61 HG3 PRO 8 1HG PRO 8 8.219 5.440 -1.020 62 HD2 PRO 8 2HD PRO 8 6.420 4.240 -3.104 63 HD3 PRO 8 1HD PRO 8 8.185 4.455 -3.143 64 HA PRO 9 HA PRO 9 3.675 0.166 -0.190 65 HB2 PRO 9 2HB PRO 9 2.701 0.312 2.351 66 HB3 PRO 9 1HB PRO 9 4.064 -0.716 1.903 67 HG2 PRO 9 2HG PRO 9 4.052 1.948 3.234 68 HG3 PRO 9 1HG PRO 9 5.094 0.550 3.544 69 HD2 PRO 9 2HD PRO 9 5.886 2.729 2.103 70 HD3 PRO 9 1HD PRO 9 6.538 1.099 1.846 71 H ARG 10 H ARG 10 1.739 0.683 -0.982 72 HA ARG 10 HA ARG 10 0.639 3.302 -0.385 73 HB2 ARG 10 2HB ARG 10 0.991 2.461 -2.764 74 HB3 ARG 10 1HB ARG 10 -0.245 1.260 -2.445 75 HG2 ARG 10 2HG ARG 10 -1.106 3.178 -3.700 76 HG3 ARG 10 1HG ARG 10 -1.896 3.013 -2.129 77 HD2 ARG 10 2HD ARG 10 -1.259 5.361 -2.723 78 HD3 ARG 10 1HD ARG 10 -0.585 4.786 -1.200 79 HE ARG 10 HE ARG 10 1.008 4.680 -3.663 80 HH11 ARG 10 1HH1 ARG 10 0.575 5.971 -0.377 81 HH12 ARG 10 2HH1 ARG 10 2.139 6.619 -0.290 82 HH21 ARG 10 1HH2 ARG 10 3.167 5.537 -3.493 83 HH22 ARG 10 2HH2 ARG 10 3.661 6.366 -2.080 84 H CYS 11 H CYS 11 -0.741 3.306 1.265 85 HA CYS 11 HA CYS 11 -2.138 0.822 1.867 86 HB2 CYS 11 2HB CYS 11 -1.455 3.126 3.681 87 HB3 CYS 11 1HB CYS 11 -2.380 1.708 4.159 88 H PHE 12 H PHE 12 -4.109 0.680 1.582 89 HA PHE 12 HA PHE 12 -5.787 2.961 0.953 90 HB2 PHE 12 2HB PHE 12 -6.376 -0.016 1.003 91 HB3 PHE 12 1HB PHE 12 -7.456 1.225 0.396 92 HD1 PHE 12 1HD PHE 12 -4.255 -0.534 -0.249 93 HD2 PHE 12 2HD PHE 12 -7.213 2.109 -1.785 94 HE1 PHE 12 1HE PHE 12 -3.287 -0.761 -2.487 95 HE2 PHE 12 2HE PHE 12 -6.243 1.894 -4.024 96 HZ PHE 12 HZ PHE 12 -4.273 0.453 -4.383 97 HA PRO 13 HA PRO 13 -7.349 3.573 5.005 98 HB2 PRO 13 2HB PRO 13 -10.053 3.898 4.527 99 HB3 PRO 13 1HB PRO 13 -8.832 5.154 4.315 100 HG2 PRO 13 2HG PRO 13 -10.056 3.337 2.277 101 HG3 PRO 13 1HG PRO 13 -9.680 5.067 2.153 102 HD2 PRO 13 2HD PRO 13 -8.103 3.243 1.020 103 HD3 PRO 13 1HD PRO 13 -7.406 4.669 1.812 104 H ASP 14 H ASP 14 -8.839 0.997 3.149 105 HA ASP 14 HA ASP 14 -10.340 0.027 5.393 106 HB2 ASP 14 2HB ASP 14 -11.144 -1.705 3.943 107 HB3 ASP 14 1HB ASP 14 -11.155 -0.198 3.043 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -7.226 -0.182 4.514 2 HA2 GLY 1 2HA GLY 1 -5.887 -0.930 6.295 3 HA3 GLY 1 1HA GLY 1 -6.936 -2.327 6.459 4 H ARG 2 H ARG 2 -5.582 -1.269 3.392 5 HA ARG 2 HA ARG 2 -3.782 -3.567 3.579 6 HB2 ARG 2 2HB ARG 2 -4.198 -4.205 1.307 7 HB3 ARG 2 1HB ARG 2 -5.723 -4.148 2.166 8 HG2 ARG 2 2HG ARG 2 -6.154 -1.931 1.139 9 HG3 ARG 2 1HG ARG 2 -4.669 -2.128 0.198 10 HD2 ARG 2 2HD ARG 2 -5.603 -4.282 -0.637 11 HD3 ARG 2 1HD ARG 2 -7.121 -3.861 0.141 12 HE ARG 2 HE ARG 2 -5.863 -2.353 -2.039 13 HH11 ARG 2 1HH1 ARG 2 -8.735 -3.070 -0.161 14 HH12 ARG 2 2HH1 ARG 2 -9.849 -2.749 -1.412 15 HH21 ARG 2 1HH2 ARG 2 -7.354 -1.817 -3.765 16 HH22 ARG 2 2HH2 ARG 2 -9.029 -1.945 -3.527 17 H CYS 3 H CYS 3 -1.853 -3.416 2.402 18 HA CYS 3 HA CYS 3 -1.207 -0.756 1.406 19 HB2 CYS 3 2HB CYS 3 0.487 -2.425 3.287 20 HB3 CYS 3 1HB CYS 3 0.982 -0.905 2.550 21 H THR 4 H THR 4 0.465 -0.784 -0.174 22 HA THR 4 HA THR 4 0.478 -3.081 -1.799 23 HB THR 4 HB THR 4 2.225 -1.783 -3.082 24 HG1 THR 4 1HG THR 4 3.186 -0.272 -2.005 25 HG21 THR 4 1HG2 THR 4 0.646 -0.029 -3.813 26 HG22 THR 4 2HG2 THR 4 -0.340 -0.335 -2.381 27 HG23 THR 4 3HG2 THR 4 -0.163 -1.583 -3.612 28 H LYS 5 H LYS 5 2.162 -4.494 -2.248 29 HA LYS 5 HA LYS 5 4.052 -5.009 -0.157 30 HB2 LYS 5 2HB LYS 5 3.756 -6.211 -2.923 31 HB3 LYS 5 1HB LYS 5 4.837 -6.808 -1.673 32 HG2 LYS 5 2HG LYS 5 2.987 -7.393 -0.261 33 HG3 LYS 5 1HG LYS 5 1.853 -6.627 -1.364 34 HD2 LYS 5 2HD LYS 5 1.705 -9.004 -1.667 35 HD3 LYS 5 1HD LYS 5 2.467 -8.318 -3.088 36 HE2 LYS 5 2HE LYS 5 3.999 -9.604 -0.816 37 HE3 LYS 5 1HE LYS 5 3.454 -10.488 -2.230 38 HZ1 LYS 5 1HZ LYS 5 4.847 -8.935 -3.589 39 HZ2 LYS 5 2HZ LYS 5 5.698 -9.908 -2.553 40 HZ3 LYS 5 3HZ LYS 5 5.499 -8.308 -2.154 41 H SER 6 H SER 6 3.986 -3.376 -3.195 42 HA SER 6 HA SER 6 6.764 -3.054 -3.502 43 HB2 SER 6 2HB SER 6 5.936 -1.272 -5.138 44 HB3 SER 6 1HB SER 6 5.432 -2.934 -5.453 45 HG SER 6 HG SER 6 3.479 -2.285 -5.296 46 H ILE 7 H ILE 7 8.029 -1.497 -2.689 47 HA ILE 7 HA ILE 7 6.902 0.333 -0.743 48 HB ILE 7 HB ILE 7 9.304 0.874 -0.237 49 HG12 ILE 7 2HG1 ILE 7 9.881 -1.362 -2.212 50 HG13 ILE 7 1HG1 ILE 7 10.256 0.337 -2.443 51 HG21 ILE 7 1HG2 ILE 7 8.522 -2.032 -0.073 52 HG22 ILE 7 2HG2 ILE 7 8.132 -0.767 1.091 53 HG23 ILE 7 3HG2 ILE 7 9.806 -1.271 0.865 54 HD11 ILE 7 1HD1 ILE 7 11.836 0.251 -0.610 55 HD12 ILE 7 2HD1 ILE 7 12.220 -0.968 -1.826 56 HD13 ILE 7 3HD1 ILE 7 11.432 -1.439 -0.319 57 HA PRO 8 HA PRO 8 7.559 2.297 0.253 58 HB2 PRO 8 2HB PRO 8 6.036 4.743 -0.182 59 HB3 PRO 8 1HB PRO 8 7.580 4.548 0.647 60 HG2 PRO 8 2HG PRO 8 7.368 5.831 -1.727 61 HG3 PRO 8 1HG PRO 8 8.807 4.901 -1.270 62 HD2 PRO 8 2HD PRO 8 6.515 4.089 -3.027 63 HD3 PRO 8 1HD PRO 8 8.261 3.876 -3.287 64 HA PRO 9 HA PRO 9 3.635 0.359 0.590 65 HB2 PRO 9 2HB PRO 9 2.987 1.120 3.171 66 HB3 PRO 9 1HB PRO 9 4.030 -0.241 2.753 67 HG2 PRO 9 2HG PRO 9 4.771 2.534 3.575 68 HG3 PRO 9 1HG PRO 9 5.529 0.993 4.015 69 HD2 PRO 9 2HD PRO 9 6.621 2.610 2.189 70 HD3 PRO 9 1HD PRO 9 6.680 0.844 2.004 71 H ARG 10 H ARG 10 2.122 1.192 -0.632 72 HA ARG 10 HA ARG 10 0.862 3.724 0.047 73 HB2 ARG 10 2HB ARG 10 1.411 3.238 -2.301 74 HB3 ARG 10 1HB ARG 10 0.481 1.756 -2.222 75 HG2 ARG 10 2HG ARG 10 -1.566 3.045 -1.946 76 HG3 ARG 10 1HG ARG 10 -0.630 4.546 -1.991 77 HD2 ARG 10 2HD ARG 10 0.164 3.997 -4.216 78 HD3 ARG 10 1HD ARG 10 -0.733 2.481 -4.176 79 HE ARG 10 HE ARG 10 -2.504 4.573 -3.736 80 HH11 ARG 10 1HH1 ARG 10 -0.414 3.323 -6.324 81 HH12 ARG 10 2HH1 ARG 10 -1.386 3.869 -7.600 82 HH21 ARG 10 1HH2 ARG 10 -3.900 5.325 -5.540 83 HH22 ARG 10 2HH2 ARG 10 -3.408 5.035 -7.137 84 H CYS 11 H CYS 11 -0.726 3.598 1.526 85 HA CYS 11 HA CYS 11 -2.037 1.015 1.837 86 HB2 CYS 11 2HB CYS 11 -1.613 3.204 3.863 87 HB3 CYS 11 1HB CYS 11 -2.440 1.676 4.164 88 H PHE 12 H PHE 12 -4.142 0.855 1.976 89 HA PHE 12 HA PHE 12 -5.681 3.203 1.186 90 HB2 PHE 12 2HB PHE 12 -6.192 0.261 0.640 91 HB3 PHE 12 1HB PHE 12 -7.269 1.573 0.175 92 HD1 PHE 12 1HD PHE 12 -6.741 3.017 -1.674 93 HD2 PHE 12 2HD PHE 12 -4.058 -0.072 -0.514 94 HE1 PHE 12 1HE PHE 12 -5.526 3.287 -3.786 95 HE2 PHE 12 2HE PHE 12 -2.836 0.189 -2.625 96 HZ PHE 12 HZ PHE 12 -3.565 1.872 -4.269 97 HA PRO 13 HA PRO 13 -7.818 3.225 5.025 98 HB2 PRO 13 2HB PRO 13 -10.383 3.493 3.587 99 HB3 PRO 13 1HB PRO 13 -9.632 4.578 4.759 100 HG2 PRO 13 2HG PRO 13 -9.663 5.203 2.176 101 HG3 PRO 13 1HG PRO 13 -8.237 5.544 3.170 102 HD2 PRO 13 2HD PRO 13 -8.705 3.334 1.212 103 HD3 PRO 13 1HD PRO 13 -7.258 4.330 1.481 104 H ASP 14 H ASP 14 -8.580 0.699 2.876 105 HA ASP 14 HA ASP 14 -10.477 -0.527 4.702 106 HB2 ASP 14 2HB ASP 14 -10.666 -2.317 3.075 107 HB3 ASP 14 1HB ASP 14 -10.811 -0.771 2.252 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -7.039 -0.434 4.938 2 HA2 GLY 1 2HA GLY 1 -5.352 -1.581 6.035 3 HA3 GLY 1 1HA GLY 1 -6.402 -2.991 6.129 4 H ARG 2 H ARG 2 -5.749 -1.253 3.252 5 HA ARG 2 HA ARG 2 -4.385 -3.596 2.116 6 HB2 ARG 2 2HB ARG 2 -6.594 -2.948 1.167 7 HB3 ARG 2 1HB ARG 2 -5.931 -1.371 0.788 8 HG2 ARG 2 2HG ARG 2 -4.276 -2.501 -0.677 9 HG3 ARG 2 1HG ARG 2 -5.138 -4.015 -0.388 10 HD2 ARG 2 2HD ARG 2 -6.233 -1.509 -1.656 11 HD3 ARG 2 1HD ARG 2 -5.915 -3.046 -2.451 12 HE ARG 2 HE ARG 2 -7.919 -2.817 -0.298 13 HH11 ARG 2 1HH1 ARG 2 -7.085 -3.772 -3.614 14 HH12 ARG 2 2HH1 ARG 2 -8.623 -4.395 -3.974 15 HH21 ARG 2 1HH2 ARG 2 -9.995 -3.644 -0.784 16 HH22 ARG 2 2HH2 ARG 2 -10.348 -4.323 -2.310 17 H CYS 3 H CYS 3 -2.270 -3.205 1.585 18 HA CYS 3 HA CYS 3 -1.460 -0.454 1.010 19 HB2 CYS 3 2HB CYS 3 0.038 -2.327 2.865 20 HB3 CYS 3 1HB CYS 3 0.547 -0.716 2.384 21 H THR 4 H THR 4 0.317 -0.372 -0.441 22 HA THR 4 HA THR 4 0.627 -2.655 -2.063 23 HB THR 4 HB THR 4 2.515 -1.307 -3.090 24 HG1 THR 4 1HG THR 4 3.274 0.168 -1.819 25 HG21 THR 4 1HG2 THR 4 1.039 0.422 -4.053 26 HG22 THR 4 2HG2 THR 4 -0.149 0.096 -2.790 27 HG23 THR 4 3HG2 THR 4 0.241 -1.149 -3.977 28 H LYS 5 H LYS 5 1.978 -4.310 -1.815 29 HA LYS 5 HA LYS 5 3.602 -4.459 0.526 30 HB2 LYS 5 2HB LYS 5 3.237 -6.358 -1.781 31 HB3 LYS 5 1HB LYS 5 4.188 -6.731 -0.346 32 HG2 LYS 5 2HG LYS 5 2.242 -6.543 1.054 33 HG3 LYS 5 1HG LYS 5 1.260 -6.007 -0.304 34 HD2 LYS 5 2HD LYS 5 1.668 -8.205 -1.393 35 HD3 LYS 5 1HD LYS 5 2.558 -8.703 0.047 36 HE2 LYS 5 2HE LYS 5 0.258 -9.542 0.059 37 HE3 LYS 5 1HE LYS 5 0.566 -8.447 1.404 38 HZ1 LYS 5 1HZ LYS 5 -0.828 -7.683 -1.123 39 HZ2 LYS 5 2HZ LYS 5 -0.598 -6.704 0.234 40 HZ3 LYS 5 3HZ LYS 5 -1.566 -8.063 0.339 41 H SER 6 H SER 6 4.115 -3.495 -2.680 42 HA SER 6 HA SER 6 6.970 -3.710 -2.468 43 HB2 SER 6 2HB SER 6 6.871 -2.540 -4.703 44 HB3 SER 6 1HB SER 6 6.051 -4.104 -4.643 45 HG SER 6 HG SER 6 4.213 -3.183 -4.908 46 H ILE 7 H ILE 7 8.317 -1.900 -2.278 47 HA ILE 7 HA ILE 7 7.180 0.245 -0.802 48 HB ILE 7 HB ILE 7 9.532 1.159 -0.668 49 HG12 ILE 7 2HG1 ILE 7 11.380 -0.558 -1.214 50 HG13 ILE 7 1HG1 ILE 7 10.199 -1.358 -2.229 51 HG21 ILE 7 1HG2 ILE 7 9.094 -1.667 0.246 52 HG22 ILE 7 2HG2 ILE 7 8.636 -0.190 1.095 53 HG23 ILE 7 3HG2 ILE 7 10.339 -0.581 0.859 54 HD11 ILE 7 1HD1 ILE 7 11.681 0.022 -3.541 55 HD12 ILE 7 2HD1 ILE 7 11.251 1.438 -2.583 56 HD13 ILE 7 3HD1 ILE 7 10.040 0.666 -3.606 57 HA PRO 8 HA PRO 8 7.541 2.222 -0.180 58 HB2 PRO 8 2HB PRO 8 6.108 4.504 -0.151 59 HB3 PRO 8 1HB PRO 8 7.832 4.501 -0.538 60 HG2 PRO 8 2HG PRO 8 5.480 4.687 -2.357 61 HG3 PRO 8 1HG PRO 8 7.039 5.520 -2.458 62 HD2 PRO 8 2HD PRO 8 6.352 3.280 -3.927 63 HD3 PRO 8 1HD PRO 8 8.013 3.789 -3.586 64 HA PRO 9 HA PRO 9 3.553 0.401 0.304 65 HB2 PRO 9 2HB PRO 9 3.208 0.677 2.984 66 HB3 PRO 9 1HB PRO 9 4.305 -0.507 2.264 67 HG2 PRO 9 2HG PRO 9 4.916 2.118 3.518 68 HG3 PRO 9 1HG PRO 9 5.833 0.606 3.576 69 HD2 PRO 9 2HD PRO 9 6.452 2.737 1.949 70 HD3 PRO 9 1HD PRO 9 6.917 1.055 1.621 71 H ARG 10 H ARG 10 2.068 1.598 -0.659 72 HA ARG 10 HA ARG 10 1.048 3.988 0.664 73 HB2 ARG 10 2HB ARG 10 1.554 4.146 -1.742 74 HB3 ARG 10 1HB ARG 10 0.466 2.808 -2.063 75 HG2 ARG 10 2HG ARG 10 -1.437 4.130 -1.409 76 HG3 ARG 10 1HG ARG 10 -0.386 5.456 -0.905 77 HD2 ARG 10 2HD ARG 10 -1.345 5.885 -3.118 78 HD3 ARG 10 1HD ARG 10 0.398 5.721 -3.191 79 HE ARG 10 HE ARG 10 -1.393 3.504 -3.866 80 HH11 ARG 10 1HH1 ARG 10 1.262 5.705 -4.779 81 HH12 ARG 10 2HH1 ARG 10 1.695 4.817 -6.158 82 HH21 ARG 10 1HH2 ARG 10 -0.766 2.309 -5.825 83 HH22 ARG 10 2HH2 ARG 10 0.549 2.868 -6.743 84 H CYS 11 H CYS 11 -0.706 3.828 1.849 85 HA CYS 11 HA CYS 11 -2.113 1.280 1.813 86 HB2 CYS 11 2HB CYS 11 -1.741 3.262 4.033 87 HB3 CYS 11 1HB CYS 11 -2.766 1.835 4.120 88 H PHE 12 H PHE 12 -4.251 1.163 2.169 89 HA PHE 12 HA PHE 12 -5.888 3.507 1.546 90 HB2 PHE 12 2HB PHE 12 -6.412 0.595 0.828 91 HB3 PHE 12 1HB PHE 12 -7.366 1.982 0.333 92 HD1 PHE 12 1HD PHE 12 -6.493 3.541 -1.354 93 HD2 PHE 12 2HD PHE 12 -4.413 -0.018 -0.343 94 HE1 PHE 12 1HE PHE 12 -5.150 3.746 -3.408 95 HE2 PHE 12 2HE PHE 12 -3.072 0.169 -2.388 96 HZ PHE 12 HZ PHE 12 -3.439 2.055 -3.926 97 HA PRO 13 HA PRO 13 -7.654 2.857 5.515 98 HB2 PRO 13 2HB PRO 13 -10.294 3.330 5.174 99 HB3 PRO 13 1HB PRO 13 -9.064 4.597 5.098 100 HG2 PRO 13 2HG PRO 13 -10.334 3.074 2.849 101 HG3 PRO 13 1HG PRO 13 -10.120 4.826 3.021 102 HD2 PRO 13 2HD PRO 13 -8.436 3.399 1.528 103 HD3 PRO 13 1HD PRO 13 -7.826 4.708 2.560 104 H ASP 14 H ASP 14 -8.359 0.545 3.200 105 HA ASP 14 HA ASP 14 -10.128 -0.922 4.987 106 HB2 ASP 14 2HB ASP 14 -10.535 -2.453 3.129 107 HB3 ASP 14 1HB ASP 14 -10.818 -0.798 2.623 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -7.536 -0.109 4.079 2 HA2 GLY 1 2HA GLY 1 -6.441 -1.456 5.699 3 HA3 GLY 1 1HA GLY 1 -7.756 -2.614 5.583 4 H ARG 2 H ARG 2 -5.537 -1.097 3.263 5 HA ARG 2 HA ARG 2 -4.582 -3.776 2.531 6 HB2 ARG 2 2HB ARG 2 -5.445 -1.659 0.558 7 HB3 ARG 2 1HB ARG 2 -4.522 -3.083 0.141 8 HG2 ARG 2 2HG ARG 2 -6.405 -4.486 0.839 9 HG3 ARG 2 1HG ARG 2 -7.323 -3.022 1.220 10 HD2 ARG 2 2HD ARG 2 -6.199 -3.740 -1.483 11 HD3 ARG 2 1HD ARG 2 -7.886 -3.888 -1.000 12 HE ARG 2 HE ARG 2 -7.777 -1.429 -0.595 13 HH11 ARG 2 1HH1 ARG 2 -5.653 -2.949 -3.045 14 HH12 ARG 2 2HH1 ARG 2 -5.634 -1.599 -4.070 15 HH21 ARG 2 1HH2 ARG 2 -7.729 0.430 -2.100 16 HH22 ARG 2 2HH2 ARG 2 -6.815 0.337 -3.529 17 H CYS 3 H CYS 3 -2.466 -3.692 2.929 18 HA CYS 3 HA CYS 3 -1.054 -1.228 2.226 19 HB2 CYS 3 2HB CYS 3 -0.321 -3.374 4.232 20 HB3 CYS 3 1HB CYS 3 0.710 -2.015 3.791 21 H THR 4 H THR 4 0.466 -1.336 0.706 22 HA THR 4 HA THR 4 0.744 -3.869 -0.658 23 HB THR 4 HB THR 4 1.733 -2.419 -2.448 24 HG1 THR 4 1HG THR 4 1.968 -0.355 -2.136 25 HG21 THR 4 1HG2 THR 4 -0.637 -3.031 -2.489 26 HG22 THR 4 2HG2 THR 4 -0.412 -1.385 -3.086 27 HG23 THR 4 3HG2 THR 4 -1.017 -1.657 -1.453 28 H LYS 5 H LYS 5 2.653 -4.962 -0.782 29 HA LYS 5 HA LYS 5 4.946 -3.750 0.521 30 HB2 LYS 5 2HB LYS 5 4.667 -6.544 -0.626 31 HB3 LYS 5 1HB LYS 5 6.004 -5.939 0.338 32 HG2 LYS 5 2HG LYS 5 4.469 -5.653 2.242 33 HG3 LYS 5 1HG LYS 5 3.179 -6.367 1.272 34 HD2 LYS 5 2HD LYS 5 4.563 -8.396 1.001 35 HD3 LYS 5 1HD LYS 5 5.770 -7.681 2.070 36 HE2 LYS 5 2HE LYS 5 4.440 -9.165 3.377 37 HE3 LYS 5 1HE LYS 5 4.006 -7.518 3.820 38 HZ1 LYS 5 1HZ LYS 5 2.053 -7.711 2.342 39 HZ2 LYS 5 2HZ LYS 5 2.036 -8.818 3.588 40 HZ3 LYS 5 3HZ LYS 5 2.449 -9.329 2.044 41 H SER 6 H SER 6 5.356 -2.228 -0.957 42 HA SER 6 HA SER 6 6.793 -2.996 -3.309 43 HB2 SER 6 2HB SER 6 5.316 -1.435 -4.685 44 HB3 SER 6 1HB SER 6 4.576 -2.972 -4.235 45 HG SER 6 HG SER 6 3.259 -1.080 -3.917 46 H ILE 7 H ILE 7 7.183 -0.511 -4.381 47 HA ILE 7 HA ILE 7 7.701 1.137 -2.068 48 HB ILE 7 HB ILE 7 9.652 2.120 -3.320 49 HG12 ILE 7 2HG1 ILE 7 9.333 -0.339 -5.066 50 HG13 ILE 7 1HG1 ILE 7 9.054 1.317 -5.583 51 HG21 ILE 7 1HG2 ILE 7 9.994 0.598 -1.480 52 HG22 ILE 7 2HG2 ILE 7 11.191 0.279 -2.738 53 HG23 ILE 7 3HG2 ILE 7 9.801 -0.788 -2.553 54 HD11 ILE 7 1HD1 ILE 7 11.674 0.158 -4.683 55 HD12 ILE 7 2HD1 ILE 7 11.409 1.823 -5.199 56 HD13 ILE 7 3HD1 ILE 7 11.208 0.500 -6.348 57 HA PRO 8 HA PRO 8 7.304 2.732 -1.185 58 HB2 PRO 8 2HB PRO 8 5.567 4.564 -0.356 59 HB3 PRO 8 1HB PRO 8 7.025 5.040 -1.234 60 HG2 PRO 8 2HG PRO 8 4.217 4.816 -2.213 61 HG3 PRO 8 1HG PRO 8 5.436 6.046 -2.579 62 HD2 PRO 8 2HD PRO 8 4.818 3.877 -4.202 63 HD3 PRO 8 1HD PRO 8 6.325 4.810 -4.267 64 HA PRO 9 HA PRO 9 3.986 -0.010 0.043 65 HB2 PRO 9 2HB PRO 9 4.315 0.114 2.763 66 HB3 PRO 9 1HB PRO 9 5.352 -0.850 1.710 67 HG2 PRO 9 2HG PRO 9 5.844 1.839 2.906 68 HG3 PRO 9 1HG PRO 9 6.969 0.487 2.687 69 HD2 PRO 9 2HD PRO 9 6.923 2.651 1.053 70 HD3 PRO 9 1HD PRO 9 7.385 1.032 0.495 71 H ARG 10 H ARG 10 1.990 0.771 -0.229 72 HA ARG 10 HA ARG 10 1.234 3.122 1.329 73 HB2 ARG 10 2HB ARG 10 0.264 2.195 -1.372 74 HB3 ARG 10 1HB ARG 10 -0.497 3.487 -0.453 75 HG2 ARG 10 2HG ARG 10 1.560 4.776 -0.526 76 HG3 ARG 10 1HG ARG 10 2.359 3.472 -1.401 77 HD2 ARG 10 2HD ARG 10 0.827 3.761 -3.265 78 HD3 ARG 10 1HD ARG 10 -0.049 5.007 -2.376 79 HE ARG 10 HE ARG 10 2.411 5.993 -2.370 80 HH11 ARG 10 1HH1 ARG 10 0.478 4.705 -5.056 81 HH12 ARG 10 2HH1 ARG 10 1.205 5.682 -6.235 82 HH21 ARG 10 1HH2 ARG 10 3.394 7.365 -4.028 83 HH22 ARG 10 2HH2 ARG 10 2.908 7.209 -5.645 84 H CYS 11 H CYS 11 -0.566 3.110 2.473 85 HA CYS 11 HA CYS 11 -2.003 0.578 2.590 86 HB2 CYS 11 2HB CYS 11 -1.437 2.565 4.788 87 HB3 CYS 11 1HB CYS 11 -2.537 1.198 4.945 88 H PHE 12 H PHE 12 -3.872 0.688 1.840 89 HA PHE 12 HA PHE 12 -5.185 3.220 1.406 90 HB2 PHE 12 2HB PHE 12 -5.976 0.392 0.672 91 HB3 PHE 12 1HB PHE 12 -6.876 1.833 0.213 92 HD1 PHE 12 1HD PHE 12 -6.083 3.307 -1.503 93 HD2 PHE 12 2HD PHE 12 -3.795 -0.094 -0.341 94 HE1 PHE 12 1HE PHE 12 -4.694 3.558 -3.505 95 HE2 PHE 12 2HE PHE 12 -2.400 0.157 -2.343 96 HZ PHE 12 HZ PHE 12 -2.844 1.982 -3.932 97 HA PRO 13 HA PRO 13 -7.541 3.399 5.080 98 HB2 PRO 13 2HB PRO 13 -9.962 4.287 4.058 99 HB3 PRO 13 1HB PRO 13 -8.575 5.310 4.435 100 HG2 PRO 13 2HG PRO 13 -9.414 4.153 1.811 101 HG3 PRO 13 1HG PRO 13 -8.797 5.777 2.171 102 HD2 PRO 13 2HD PRO 13 -7.222 3.948 1.072 103 HD3 PRO 13 1HD PRO 13 -6.594 5.027 2.337 104 H ASP 14 H ASP 14 -8.667 1.325 2.547 105 HA ASP 14 HA ASP 14 -10.816 0.254 4.176 106 HB2 ASP 14 2HB ASP 14 -11.417 -1.132 2.348 107 HB3 ASP 14 1HB ASP 14 -10.909 0.381 1.622 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.706 -0.362 3.993 2 HA2 GLY 1 2HA GLY 1 -6.911 -1.747 5.674 3 HA3 GLY 1 1HA GLY 1 -8.055 -2.978 5.164 4 H ARG 2 H ARG 2 -5.488 -1.287 3.392 5 HA ARG 2 HA ARG 2 -4.032 -3.780 3.234 6 HB2 ARG 2 2HB ARG 2 -3.831 -3.717 0.816 7 HB3 ARG 2 1HB ARG 2 -5.521 -3.873 1.289 8 HG2 ARG 2 2HG ARG 2 -5.946 -1.591 0.777 9 HG3 ARG 2 1HG ARG 2 -4.226 -1.270 0.554 10 HD2 ARG 2 2HD ARG 2 -4.199 -2.766 -1.355 11 HD3 ARG 2 1HD ARG 2 -5.922 -3.081 -1.153 12 HE ARG 2 HE ARG 2 -6.062 -0.554 -1.369 13 HH11 ARG 2 1HH1 ARG 2 -3.953 -2.727 -3.208 14 HH12 ARG 2 2HH1 ARG 2 -3.770 -1.666 -4.531 15 HH21 ARG 2 1HH2 ARG 2 -5.828 0.885 -3.227 16 HH22 ARG 2 2HH2 ARG 2 -4.875 0.382 -4.572 17 H CYS 3 H CYS 3 -1.888 -3.473 2.869 18 HA CYS 3 HA CYS 3 -0.982 -0.746 2.362 19 HB2 CYS 3 2HB CYS 3 0.323 -2.777 4.207 20 HB3 CYS 3 1HB CYS 3 0.881 -1.136 3.898 21 H THR 4 H THR 4 0.496 -0.625 0.734 22 HA THR 4 HA THR 4 0.788 -2.917 -0.870 23 HB THR 4 HB THR 4 2.305 -1.348 -2.227 24 HG1 THR 4 1HG THR 4 2.632 0.593 -1.478 25 HG21 THR 4 1HG2 THR 4 0.367 -0.061 -3.051 26 HG22 THR 4 2HG2 THR 4 -0.542 -0.542 -1.613 27 HG23 THR 4 3HG2 THR 4 -0.042 -1.755 -2.783 28 H LYS 5 H LYS 5 2.362 -4.295 -1.068 29 HA LYS 5 HA LYS 5 4.570 -4.214 0.792 30 HB2 LYS 5 2HB LYS 5 3.402 -6.336 0.389 31 HB3 LYS 5 1HB LYS 5 3.798 -6.236 -1.319 32 HG2 LYS 5 2HG LYS 5 6.138 -6.533 -0.847 33 HG3 LYS 5 1HG LYS 5 5.836 -6.459 0.883 34 HD2 LYS 5 2HD LYS 5 6.164 -8.752 0.291 35 HD3 LYS 5 1HD LYS 5 4.468 -8.529 0.672 36 HE2 LYS 5 2HE LYS 5 5.563 -8.583 -2.146 37 HE3 LYS 5 1HE LYS 5 4.974 -10.008 -1.313 38 HZ1 LYS 5 1HZ LYS 5 2.783 -8.778 -1.117 39 HZ2 LYS 5 2HZ LYS 5 3.229 -9.260 -2.638 40 HZ3 LYS 5 3HZ LYS 5 3.401 -7.654 -2.226 41 H SER 6 H SER 6 3.921 -3.635 -2.553 42 HA SER 6 HA SER 6 6.681 -3.437 -3.258 43 HB2 SER 6 2HB SER 6 5.608 -2.541 -5.411 44 HB3 SER 6 1HB SER 6 5.259 -4.219 -4.989 45 HG SER 6 HG SER 6 3.441 -2.778 -5.621 46 H ILE 7 H ILE 7 7.680 -1.437 -3.821 47 HA ILE 7 HA ILE 7 6.872 0.658 -2.065 48 HB ILE 7 HB ILE 7 8.849 1.906 -2.869 49 HG12 ILE 7 2HG1 ILE 7 9.337 -0.480 -4.676 50 HG13 ILE 7 1HG1 ILE 7 8.787 1.098 -5.226 51 HG21 ILE 7 1HG2 ILE 7 10.567 0.349 -2.043 52 HG22 ILE 7 2HG2 ILE 7 9.410 -0.975 -2.170 53 HG23 ILE 7 3HG2 ILE 7 9.121 0.341 -1.033 54 HD11 ILE 7 1HD1 ILE 7 11.155 0.785 -5.612 55 HD12 ILE 7 2HD1 ILE 7 11.410 0.500 -3.889 56 HD13 ILE 7 3HD1 ILE 7 10.876 2.084 -4.453 57 HA PRO 8 HA PRO 8 7.031 2.769 -1.773 58 HB2 PRO 8 2HB PRO 8 4.858 4.634 -1.575 59 HB3 PRO 8 1HB PRO 8 6.571 4.964 -1.850 60 HG2 PRO 8 2HG PRO 8 4.578 5.389 -3.710 61 HG3 PRO 8 1HG PRO 8 6.297 5.189 -4.087 62 HD2 PRO 8 2HD PRO 8 4.076 3.194 -4.237 63 HD3 PRO 8 1HD PRO 8 5.449 3.444 -5.339 64 HA PRO 9 HA PRO 9 3.984 0.247 0.422 65 HB2 PRO 9 2HB PRO 9 5.390 1.058 2.879 66 HB3 PRO 9 1HB PRO 9 5.226 -0.553 2.176 67 HG2 PRO 9 2HG PRO 9 7.570 0.757 2.182 68 HG3 PRO 9 1HG PRO 9 7.094 -0.315 0.853 69 HD2 PRO 9 2HD PRO 9 6.990 2.672 1.012 70 HD3 PRO 9 1HD PRO 9 7.534 1.621 -0.317 71 H ARG 10 H ARG 10 2.087 1.266 0.453 72 HA ARG 10 HA ARG 10 1.695 3.472 2.351 73 HB2 ARG 10 2HB ARG 10 0.498 3.155 -0.400 74 HB3 ARG 10 1HB ARG 10 0.037 4.395 0.750 75 HG2 ARG 10 2HG ARG 10 2.301 5.325 0.648 76 HG3 ARG 10 1HG ARG 10 2.761 4.068 -0.500 77 HD2 ARG 10 2HD ARG 10 2.238 6.149 -1.658 78 HD3 ARG 10 1HD ARG 10 1.075 4.891 -2.072 79 HE ARG 10 HE ARG 10 0.213 6.467 0.120 80 HH11 ARG 10 1HH1 ARG 10 0.401 6.480 -3.432 81 HH12 ARG 10 2HH1 ARG 10 -0.902 7.535 -3.642 82 HH21 ARG 10 1HH2 ARG 10 -1.627 7.965 -0.198 83 HH22 ARG 10 2HH2 ARG 10 -2.065 8.383 -1.780 84 H CYS 11 H CYS 11 -0.147 3.338 3.557 85 HA CYS 11 HA CYS 11 -1.730 0.917 3.241 86 HB2 CYS 11 2HB CYS 11 -1.415 2.798 5.579 87 HB3 CYS 11 1HB CYS 11 -2.541 1.446 5.566 88 H PHE 12 H PHE 12 -3.596 0.979 2.399 89 HA PHE 12 HA PHE 12 -4.886 3.532 1.820 90 HB2 PHE 12 2HB PHE 12 -5.167 0.759 0.639 91 HB3 PHE 12 1HB PHE 12 -6.205 2.097 0.178 92 HD1 PHE 12 1HD PHE 12 -5.395 3.872 -1.222 93 HD2 PHE 12 2HD PHE 12 -2.781 0.748 0.025 94 HE1 PHE 12 1HE PHE 12 -3.744 4.588 -2.895 95 HE2 PHE 12 2HE PHE 12 -1.131 1.463 -1.647 96 HZ PHE 12 HZ PHE 12 -1.611 3.384 -3.110 97 HA PRO 13 HA PRO 13 -8.124 2.907 4.709 98 HB2 PRO 13 2HB PRO 13 -10.315 3.925 3.577 99 HB3 PRO 13 1HB PRO 13 -8.919 4.940 3.958 100 HG2 PRO 13 2HG PRO 13 -9.714 3.728 1.338 101 HG3 PRO 13 1HG PRO 13 -9.165 5.377 1.682 102 HD2 PRO 13 2HD PRO 13 -7.546 3.455 0.688 103 HD3 PRO 13 1HD PRO 13 -6.955 4.768 1.719 104 H ASP 14 H ASP 14 -8.121 0.862 2.127 105 HA ASP 14 HA ASP 14 -10.649 -0.363 2.914 106 HB2 ASP 14 2HB ASP 14 -10.504 -1.715 0.896 107 HB3 ASP 14 1HB ASP 14 -10.314 -0.020 0.489 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.385 -0.294 3.801 2 HA2 GLY 1 2HA GLY 1 -6.505 -1.353 5.739 3 HA3 GLY 1 1HA GLY 1 -7.736 -2.602 5.558 4 H ARG 2 H ARG 2 -5.037 -1.227 3.718 5 HA ARG 2 HA ARG 2 -3.952 -3.838 3.231 6 HB2 ARG 2 2HB ARG 2 -5.827 -3.576 1.572 7 HB3 ARG 2 1HB ARG 2 -4.973 -2.197 0.915 8 HG2 ARG 2 2HG ARG 2 -3.109 -3.647 0.292 9 HG3 ARG 2 1HG ARG 2 -3.969 -5.033 0.970 10 HD2 ARG 2 2HD ARG 2 -4.824 -3.325 -1.363 11 HD3 ARG 2 1HD ARG 2 -4.308 -5.009 -1.412 12 HE ARG 2 HE ARG 2 -6.774 -4.048 -0.109 13 HH11 ARG 2 1HH1 ARG 2 -5.067 -6.566 -1.978 14 HH12 ARG 2 2HH1 ARG 2 -6.432 -7.575 -2.108 15 HH21 ARG 2 1HH2 ARG 2 -8.639 -5.483 -0.344 16 HH22 ARG 2 2HH2 ARG 2 -8.460 -6.964 -1.176 17 H CYS 3 H CYS 3 -1.814 -3.485 3.320 18 HA CYS 3 HA CYS 3 -0.793 -0.868 2.463 19 HB2 CYS 3 2HB CYS 3 0.478 -2.914 4.311 20 HB3 CYS 3 1HB CYS 3 1.225 -1.405 3.802 21 H THR 4 H THR 4 0.573 -0.770 0.796 22 HA THR 4 HA THR 4 0.696 -3.048 -0.857 23 HB THR 4 HB THR 4 1.995 -1.587 -2.400 24 HG1 THR 4 1HG THR 4 3.050 -0.097 -1.408 25 HG21 THR 4 1HG2 THR 4 0.182 -0.011 -2.833 26 HG22 THR 4 2HG2 THR 4 -0.471 -0.307 -1.222 27 HG23 THR 4 3HG2 THR 4 -0.465 -1.600 -2.420 28 H LYS 5 H LYS 5 2.240 -4.413 -1.238 29 HA LYS 5 HA LYS 5 4.576 -4.455 0.430 30 HB2 LYS 5 2HB LYS 5 5.076 -6.574 -0.877 31 HB3 LYS 5 1HB LYS 5 3.590 -6.573 0.060 32 HG2 LYS 5 2HG LYS 5 2.296 -6.158 -1.952 33 HG3 LYS 5 1HG LYS 5 3.778 -6.092 -2.910 34 HD2 LYS 5 2HD LYS 5 4.235 -8.388 -2.455 35 HD3 LYS 5 1HD LYS 5 2.909 -8.480 -1.296 36 HE2 LYS 5 2HE LYS 5 2.317 -9.502 -3.435 37 HE3 LYS 5 1HE LYS 5 1.301 -8.106 -3.083 38 HZ1 LYS 5 1HZ LYS 5 3.652 -8.082 -4.902 39 HZ2 LYS 5 2HZ LYS 5 2.580 -6.811 -4.677 40 HZ3 LYS 5 3HZ LYS 5 2.066 -8.227 -5.385 41 H SER 6 H SER 6 3.697 -3.432 -2.730 42 HA SER 6 HA SER 6 6.392 -3.249 -3.636 43 HB2 SER 6 2HB SER 6 5.215 -1.996 -5.536 44 HB3 SER 6 1HB SER 6 4.798 -3.696 -5.321 45 HG SER 6 HG SER 6 3.025 -2.219 -5.624 46 H ILE 7 H ILE 7 7.638 -1.506 -3.556 47 HA ILE 7 HA ILE 7 7.099 0.578 -1.692 48 HB ILE 7 HB ILE 7 9.318 0.257 -3.737 49 HG12 ILE 7 2HG1 ILE 7 9.294 -1.592 -2.158 50 HG13 ILE 7 1HG1 ILE 7 10.697 -0.571 -1.874 51 HG21 ILE 7 1HG2 ILE 7 10.642 1.826 -2.429 52 HG22 ILE 7 2HG2 ILE 7 9.290 2.074 -1.335 53 HG23 ILE 7 3HG2 ILE 7 9.162 2.587 -3.020 54 HD11 ILE 7 1HD1 ILE 7 9.719 -1.305 0.209 55 HD12 ILE 7 2HD1 ILE 7 8.159 -0.636 -0.254 56 HD13 ILE 7 3HD1 ILE 7 9.526 0.440 0.039 57 HA PRO 8 HA PRO 8 7.302 2.652 -1.193 58 HB2 PRO 8 2HB PRO 8 5.637 4.719 -0.707 59 HB3 PRO 8 1HB PRO 8 7.158 4.926 -1.580 60 HG2 PRO 8 2HG PRO 8 4.376 4.740 -2.644 61 HG3 PRO 8 1HG PRO 8 5.707 5.785 -3.165 62 HD2 PRO 8 2HD PRO 8 4.959 3.453 -4.432 63 HD3 PRO 8 1HD PRO 8 6.571 4.183 -4.543 64 HA PRO 9 HA PRO 9 3.926 0.261 0.513 65 HB2 PRO 9 2HB PRO 9 4.759 1.140 3.180 66 HB3 PRO 9 1HB PRO 9 4.802 -0.479 2.476 67 HG2 PRO 9 2HG PRO 9 7.043 0.943 2.967 68 HG3 PRO 9 1HG PRO 9 6.908 -0.193 1.613 69 HD2 PRO 9 2HD PRO 9 6.708 2.788 1.615 70 HD3 PRO 9 1HD PRO 9 7.509 1.697 0.458 71 H ARG 10 H ARG 10 2.092 1.294 0.038 72 HA ARG 10 HA ARG 10 1.287 3.596 1.660 73 HB2 ARG 10 2HB ARG 10 0.169 2.625 -0.967 74 HB3 ARG 10 1HB ARG 10 -0.310 4.080 -0.111 75 HG2 ARG 10 2HG ARG 10 1.982 4.957 -0.412 76 HG3 ARG 10 1HG ARG 10 2.363 3.528 -1.374 77 HD2 ARG 10 2HD ARG 10 1.803 5.318 -2.865 78 HD3 ARG 10 1HD ARG 10 0.497 4.138 -2.894 79 HE ARG 10 HE ARG 10 -0.026 6.118 -0.967 80 HH11 ARG 10 1HH1 ARG 10 -0.113 5.617 -4.479 81 HH12 ARG 10 2HH1 ARG 10 -1.274 6.839 -4.738 82 HH21 ARG 10 1HH2 ARG 10 -1.582 7.773 -1.346 83 HH22 ARG 10 2HH2 ARG 10 -2.109 8.101 -2.940 84 H CYS 11 H CYS 11 -0.522 3.397 2.904 85 HA CYS 11 HA CYS 11 -1.836 0.787 2.823 86 HB2 CYS 11 2HB CYS 11 -1.510 2.728 5.123 87 HB3 CYS 11 1HB CYS 11 -2.333 1.177 5.209 88 H PHE 12 H PHE 12 -3.772 0.864 2.024 89 HA PHE 12 HA PHE 12 -5.025 3.469 1.700 90 HB2 PHE 12 2HB PHE 12 -5.610 0.801 0.406 91 HB3 PHE 12 1HB PHE 12 -6.494 2.275 0.039 92 HD1 PHE 12 1HD PHE 12 -4.930 4.332 -0.604 93 HD2 PHE 12 2HD PHE 12 -3.848 0.229 -0.963 94 HE1 PHE 12 1HE PHE 12 -3.231 4.932 -2.277 95 HE2 PHE 12 2HE PHE 12 -2.149 0.825 -2.636 96 HZ PHE 12 HZ PHE 12 -1.835 3.173 -3.295 97 HA PRO 13 HA PRO 13 -8.198 3.196 4.713 98 HB2 PRO 13 2HB PRO 13 -10.499 3.708 3.261 99 HB3 PRO 13 1HB PRO 13 -9.388 4.936 3.872 100 HG2 PRO 13 2HG PRO 13 -9.525 3.694 1.152 101 HG3 PRO 13 1HG PRO 13 -9.293 5.395 1.595 102 HD2 PRO 13 2HD PRO 13 -7.223 3.942 0.834 103 HD3 PRO 13 1HD PRO 13 -7.063 5.052 2.208 104 H ASP 14 H ASP 14 -8.336 0.999 2.078 105 HA ASP 14 HA ASP 14 -10.666 -0.413 2.994 106 HB2 ASP 14 2HB ASP 14 -10.259 -1.957 1.240 107 HB3 ASP 14 1HB ASP 14 -9.884 -0.370 0.586 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -7.207 0.076 4.480 2 HA2 GLY 1 2HA GLY 1 -5.792 -0.977 6.069 3 HA3 GLY 1 1HA GLY 1 -7.050 -2.163 6.368 4 H ARG 2 H ARG 2 -5.520 -1.103 3.352 5 HA ARG 2 HA ARG 2 -4.409 -3.806 3.088 6 HB2 ARG 2 2HB ARG 2 -5.850 -2.273 0.919 7 HB3 ARG 2 1HB ARG 2 -4.925 -3.739 0.650 8 HG2 ARG 2 2HG ARG 2 -6.446 -4.977 2.087 9 HG3 ARG 2 1HG ARG 2 -7.353 -3.496 2.399 10 HD2 ARG 2 2HD ARG 2 -8.481 -4.808 0.719 11 HD3 ARG 2 1HD ARG 2 -7.857 -3.326 0.007 12 HE ARG 2 HE ARG 2 -5.930 -5.271 -0.363 13 HH11 ARG 2 1HH1 ARG 2 -9.259 -4.698 -1.410 14 HH12 ARG 2 2HH1 ARG 2 -9.061 -5.513 -2.896 15 HH21 ARG 2 1HH2 ARG 2 -5.676 -6.375 -2.325 16 HH22 ARG 2 2HH2 ARG 2 -6.960 -6.510 -3.451 17 H CYS 3 H CYS 3 -2.284 -3.650 2.889 18 HA CYS 3 HA CYS 3 -1.180 -1.254 1.576 19 HB2 CYS 3 2HB CYS 3 0.147 -3.020 3.649 20 HB3 CYS 3 1HB CYS 3 0.857 -1.601 2.893 21 H THR 4 H THR 4 0.005 -1.559 -0.200 22 HA THR 4 HA THR 4 0.446 -4.233 -1.169 23 HB THR 4 HB THR 4 1.400 -3.000 -3.147 24 HG1 THR 4 1HG THR 4 2.107 -1.080 -2.447 25 HG21 THR 4 1HG2 THR 4 -1.346 -2.100 -2.244 26 HG22 THR 4 2HG2 THR 4 -0.981 -3.603 -3.091 27 HG23 THR 4 3HG2 THR 4 -0.751 -2.054 -3.905 28 H LYS 5 H LYS 5 2.540 -5.147 -1.465 29 HA LYS 5 HA LYS 5 4.574 -3.969 0.221 30 HB2 LYS 5 2HB LYS 5 4.738 -6.483 -1.458 31 HB3 LYS 5 1HB LYS 5 5.932 -5.939 -0.292 32 HG2 LYS 5 2HG LYS 5 4.234 -6.182 1.492 33 HG3 LYS 5 1HG LYS 5 3.130 -6.839 0.280 34 HD2 LYS 5 2HD LYS 5 4.768 -8.623 -0.199 35 HD3 LYS 5 1HD LYS 5 5.796 -7.988 1.080 36 HE2 LYS 5 2HE LYS 5 4.513 -9.875 1.903 37 HE3 LYS 5 1HE LYS 5 4.014 -8.389 2.711 38 HZ1 LYS 5 1HZ LYS 5 2.133 -9.793 2.043 39 HZ2 LYS 5 2HZ LYS 5 2.576 -9.612 0.417 40 HZ3 LYS 5 3HZ LYS 5 2.089 -8.278 1.314 41 H SER 6 H SER 6 4.733 -2.113 -0.983 42 HA SER 6 HA SER 6 6.419 -2.364 -3.350 43 HB2 SER 6 2HB SER 6 5.217 -0.218 -4.063 44 HB3 SER 6 1HB SER 6 4.280 -1.711 -4.162 45 HG SER 6 HG SER 6 4.088 0.444 -2.387 46 H ILE 7 H ILE 7 7.427 -0.030 -3.706 47 HA ILE 7 HA ILE 7 8.193 1.054 -1.106 48 HB ILE 7 HB ILE 7 9.935 0.949 -3.607 49 HG12 ILE 7 2HG1 ILE 7 11.511 -0.424 -2.102 50 HG13 ILE 7 1HG1 ILE 7 10.133 -0.630 -1.032 51 HG21 ILE 7 1HG2 ILE 7 10.342 2.964 -2.373 52 HG22 ILE 7 2HG2 ILE 7 11.726 1.886 -2.205 53 HG23 ILE 7 3HG2 ILE 7 10.571 2.055 -0.881 54 HD11 ILE 7 1HD1 ILE 7 8.917 -1.715 -2.818 55 HD12 ILE 7 2HD1 ILE 7 10.435 -2.565 -2.471 56 HD13 ILE 7 3HD1 ILE 7 10.294 -1.515 -3.894 57 HA PRO 8 HA PRO 8 7.430 2.424 -0.050 58 HB2 PRO 8 2HB PRO 8 5.603 4.234 0.682 59 HB3 PRO 8 1HB PRO 8 7.273 4.711 0.356 60 HG2 PRO 8 2HG PRO 8 4.849 5.011 -1.359 61 HG3 PRO 8 1HG PRO 8 6.202 6.130 -1.124 62 HD2 PRO 8 2HD PRO 8 5.923 4.353 -3.272 63 HD3 PRO 8 1HD PRO 8 7.442 5.121 -2.773 64 HA PRO 9 HA PRO 9 3.734 -0.157 -0.142 65 HB2 PRO 9 2HB PRO 9 3.292 0.588 2.696 66 HB3 PRO 9 1HB PRO 9 3.525 -1.015 1.987 67 HG2 PRO 9 2HG PRO 9 5.463 0.094 3.420 68 HG3 PRO 9 1HG PRO 9 5.830 -0.798 1.931 69 HD2 PRO 9 2HD PRO 9 5.662 2.164 2.350 70 HD3 PRO 9 1HD PRO 9 6.886 1.210 1.483 71 H ARG 10 H ARG 10 1.763 0.375 -0.877 72 HA ARG 10 HA ARG 10 0.699 2.974 -0.121 73 HB2 ARG 10 2HB ARG 10 -0.131 1.080 -2.331 74 HB3 ARG 10 1HB ARG 10 -0.808 2.678 -2.048 75 HG2 ARG 10 2HG ARG 10 2.049 2.080 -2.813 76 HG3 ARG 10 1HG ARG 10 0.794 2.710 -3.882 77 HD2 ARG 10 2HD ARG 10 1.871 4.094 -1.417 78 HD3 ARG 10 1HD ARG 10 2.286 4.490 -3.079 79 HE ARG 10 HE ARG 10 -0.412 4.623 -3.020 80 HH11 ARG 10 1HH1 ARG 10 2.143 6.253 -1.116 81 HH12 ARG 10 2HH1 ARG 10 1.233 7.663 -0.901 82 HH21 ARG 10 1HH2 ARG 10 -1.616 6.571 -2.684 83 HH22 ARG 10 2HH2 ARG 10 -0.936 7.849 -1.786 84 H CYS 11 H CYS 11 -0.584 2.953 1.512 85 HA CYS 11 HA CYS 11 -2.099 0.531 2.086 86 HB2 CYS 11 2HB CYS 11 -1.317 2.829 3.872 87 HB3 CYS 11 1HB CYS 11 -2.315 1.462 4.359 88 H PHE 12 H PHE 12 -4.047 0.539 1.518 89 HA PHE 12 HA PHE 12 -5.518 2.933 0.932 90 HB2 PHE 12 2HB PHE 12 -6.317 0.011 0.883 91 HB3 PHE 12 1HB PHE 12 -7.331 1.333 0.321 92 HD1 PHE 12 1HD PHE 12 -6.875 2.455 -1.760 93 HD2 PHE 12 2HD PHE 12 -4.340 -0.681 -0.386 94 HE1 PHE 12 1HE PHE 12 -5.843 2.306 -3.987 95 HE2 PHE 12 2HE PHE 12 -3.311 -0.828 -2.610 96 HZ PHE 12 HZ PHE 12 -4.061 0.668 -4.412 97 HA PRO 13 HA PRO 13 -7.347 3.841 4.874 98 HB2 PRO 13 2HB PRO 13 -9.870 3.855 3.279 99 HB3 PRO 13 1HB PRO 13 -9.279 5.034 4.452 100 HG2 PRO 13 2HG PRO 13 -9.070 5.488 1.832 101 HG3 PRO 13 1HG PRO 13 -7.798 5.988 2.956 102 HD2 PRO 13 2HD PRO 13 -7.790 3.797 0.965 103 HD3 PRO 13 1HD PRO 13 -6.440 4.704 1.664 104 H ASP 14 H ASP 14 -8.889 1.336 2.916 105 HA ASP 14 HA ASP 14 -10.390 0.334 5.153 106 HB2 ASP 14 2HB ASP 14 -11.204 -1.436 3.707 107 HB3 ASP 14 1HB ASP 14 -11.299 0.108 2.875 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -7.531 -0.400 3.915 2 HA2 GLY 1 2HA GLY 1 -6.401 -1.786 5.404 3 HA3 GLY 1 1HA GLY 1 -7.549 -3.076 5.053 4 H ARG 2 H ARG 2 -5.394 -1.068 3.155 5 HA ARG 2 HA ARG 2 -4.195 -3.497 2.082 6 HB2 ARG 2 2HB ARG 2 -5.906 -2.815 0.479 7 HB3 ARG 2 1HB ARG 2 -5.230 -1.199 0.425 8 HG2 ARG 2 2HG ARG 2 -4.582 -2.443 -1.542 9 HG3 ARG 2 1HG ARG 2 -3.164 -2.102 -0.552 10 HD2 ARG 2 2HD ARG 2 -3.130 -4.391 -1.415 11 HD3 ARG 2 1HD ARG 2 -3.234 -4.372 0.343 12 HE ARG 2 HE ARG 2 -5.807 -4.480 -0.796 13 HH11 ARG 2 1HH1 ARG 2 -2.981 -6.536 -0.192 14 HH12 ARG 2 2HH1 ARG 2 -3.836 -7.992 -0.235 15 HH21 ARG 2 1HH2 ARG 2 -7.024 -6.474 -0.755 16 HH22 ARG 2 2HH2 ARG 2 -6.228 -7.955 -0.517 17 H CYS 3 H CYS 3 -2.214 -3.242 2.848 18 HA CYS 3 HA CYS 3 -0.883 -0.702 2.320 19 HB2 CYS 3 2HB CYS 3 -0.064 -3.035 4.072 20 HB3 CYS 3 1HB CYS 3 0.857 -1.548 3.865 21 H THR 4 H THR 4 0.628 -0.669 0.764 22 HA THR 4 HA THR 4 0.846 -3.015 -0.824 23 HB THR 4 HB THR 4 2.314 -1.468 -2.231 24 HG1 THR 4 1HG THR 4 2.612 0.500 -1.549 25 HG21 THR 4 1HG2 THR 4 -0.032 -1.948 -2.760 26 HG22 THR 4 2HG2 THR 4 0.336 -0.257 -3.098 27 HG23 THR 4 3HG2 THR 4 -0.550 -0.693 -1.638 28 H LYS 5 H LYS 5 2.427 -4.446 -0.781 29 HA LYS 5 HA LYS 5 4.631 -4.036 1.034 30 HB2 LYS 5 2HB LYS 5 5.266 -6.332 0.577 31 HB3 LYS 5 1HB LYS 5 3.541 -6.261 0.842 32 HG2 LYS 5 2HG LYS 5 3.120 -6.458 -1.531 33 HG3 LYS 5 1HG LYS 5 4.854 -6.417 -1.863 34 HD2 LYS 5 2HD LYS 5 5.121 -8.471 -0.495 35 HD3 LYS 5 1HD LYS 5 3.371 -8.527 -0.290 36 HE2 LYS 5 2HE LYS 5 4.063 -10.045 -2.058 37 HE3 LYS 5 1HE LYS 5 3.107 -8.721 -2.721 38 HZ1 LYS 5 1HZ LYS 5 5.157 -7.655 -3.440 39 HZ2 LYS 5 2HZ LYS 5 5.032 -9.181 -4.097 40 HZ3 LYS 5 3HZ LYS 5 6.073 -8.908 -2.803 41 H SER 6 H SER 6 3.969 -3.623 -2.257 42 HA SER 6 HA SER 6 6.690 -3.537 -3.094 43 HB2 SER 6 2HB SER 6 5.482 -2.734 -5.213 44 HB3 SER 6 1HB SER 6 5.172 -4.386 -4.682 45 HG SER 6 HG SER 6 3.534 -2.129 -4.611 46 H ILE 7 H ILE 7 7.716 -1.586 -3.670 47 HA ILE 7 HA ILE 7 6.899 0.604 -2.064 48 HB ILE 7 HB ILE 7 8.840 1.836 -2.783 49 HG12 ILE 7 2HG1 ILE 7 8.837 1.225 -5.225 50 HG13 ILE 7 1HG1 ILE 7 10.425 1.148 -4.488 51 HG21 ILE 7 1HG2 ILE 7 10.635 0.303 -2.133 52 HG22 ILE 7 2HG2 ILE 7 9.504 -1.040 -2.292 53 HG23 ILE 7 3HG2 ILE 7 9.218 0.214 -1.086 54 HD11 ILE 7 1HD1 ILE 7 10.208 -1.304 -4.379 55 HD12 ILE 7 2HD1 ILE 7 10.111 -0.672 -6.021 56 HD13 ILE 7 3HD1 ILE 7 8.643 -1.176 -5.188 57 HA PRO 8 HA PRO 8 7.068 2.684 -1.813 58 HB2 PRO 8 2HB PRO 8 4.877 4.589 -1.759 59 HB3 PRO 8 1HB PRO 8 6.610 4.907 -1.864 60 HG2 PRO 8 2HG PRO 8 4.903 5.401 -3.920 61 HG3 PRO 8 1HG PRO 8 6.601 4.954 -4.155 62 HD2 PRO 8 2HD PRO 8 4.156 3.220 -4.304 63 HD3 PRO 8 1HD PRO 8 5.539 3.306 -5.421 64 HA PRO 9 HA PRO 9 3.964 0.259 0.422 65 HB2 PRO 9 2HB PRO 9 5.352 1.033 2.884 66 HB3 PRO 9 1HB PRO 9 5.200 -0.568 2.157 67 HG2 PRO 9 2HG PRO 9 7.541 0.771 2.213 68 HG3 PRO 9 1HG PRO 9 7.098 -0.319 0.888 69 HD2 PRO 9 2HD PRO 9 6.991 2.668 1.002 70 HD3 PRO 9 1HD PRO 9 7.536 1.591 -0.307 71 H ARG 10 H ARG 10 2.097 1.320 0.427 72 HA ARG 10 HA ARG 10 1.712 3.469 2.396 73 HB2 ARG 10 2HB ARG 10 0.585 3.296 -0.403 74 HB3 ARG 10 1HB ARG 10 0.130 4.500 0.794 75 HG2 ARG 10 2HG ARG 10 2.361 5.405 0.804 76 HG3 ARG 10 1HG ARG 10 2.916 4.128 -0.277 77 HD2 ARG 10 2HD ARG 10 1.429 4.943 -2.007 78 HD3 ARG 10 1HD ARG 10 0.842 6.204 -0.924 79 HE ARG 10 HE ARG 10 3.411 6.743 -0.896 80 HH11 ARG 10 1HH1 ARG 10 1.361 5.948 -3.653 81 HH12 ARG 10 2HH1 ARG 10 2.262 6.834 -4.782 82 HH21 ARG 10 1HH2 ARG 10 4.685 7.969 -2.447 83 HH22 ARG 10 2HH2 ARG 10 4.218 7.996 -4.075 84 H CYS 11 H CYS 11 -0.451 3.551 3.274 85 HA CYS 11 HA CYS 11 -1.855 1.003 2.959 86 HB2 CYS 11 2HB CYS 11 -1.538 2.683 5.441 87 HB3 CYS 11 1HB CYS 11 -2.589 1.277 5.323 88 H PHE 12 H PHE 12 -3.730 1.081 2.194 89 HA PHE 12 HA PHE 12 -5.172 3.598 1.956 90 HB2 PHE 12 2HB PHE 12 -5.571 0.904 0.624 91 HB3 PHE 12 1HB PHE 12 -6.510 2.348 0.275 92 HD1 PHE 12 1HD PHE 12 -5.598 4.148 -1.019 93 HD2 PHE 12 2HD PHE 12 -3.230 0.732 -0.104 94 HE1 PHE 12 1HE PHE 12 -3.943 4.842 -2.701 95 HE2 PHE 12 2HE PHE 12 -1.576 1.423 -1.783 96 HZ PHE 12 HZ PHE 12 -1.931 3.482 -3.084 97 HA PRO 13 HA PRO 13 -8.097 2.819 5.139 98 HB2 PRO 13 2HB PRO 13 -10.491 3.478 3.928 99 HB3 PRO 13 1HB PRO 13 -9.349 4.629 4.624 100 HG2 PRO 13 2HG PRO 13 -9.718 3.803 1.778 101 HG3 PRO 13 1HG PRO 13 -9.387 5.411 2.445 102 HD2 PRO 13 2HD PRO 13 -7.457 3.965 1.287 103 HD3 PRO 13 1HD PRO 13 -7.124 4.977 2.706 104 H ASP 14 H ASP 14 -8.562 1.063 2.190 105 HA ASP 14 HA ASP 14 -10.710 -0.569 3.231 106 HB2 ASP 14 2HB ASP 14 -10.580 -1.839 1.197 107 HB3 ASP 14 1HB ASP 14 -10.400 -0.143 0.770 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.270 -0.473 4.064 2 HA2 GLY 1 2HA GLY 1 -6.178 -1.937 5.644 3 HA3 GLY 1 1HA GLY 1 -7.397 -3.145 5.285 4 H ARG 2 H ARG 2 -5.492 -1.204 3.034 5 HA ARG 2 HA ARG 2 -4.149 -3.670 2.198 6 HB2 ARG 2 2HB ARG 2 -5.435 -1.653 0.361 7 HB3 ARG 2 1HB ARG 2 -4.240 -2.814 -0.177 8 HG2 ARG 2 2HG ARG 2 -5.749 -4.634 0.510 9 HG3 ARG 2 1HG ARG 2 -6.944 -3.415 0.971 10 HD2 ARG 2 2HD ARG 2 -7.393 -4.319 -1.273 11 HD3 ARG 2 1HD ARG 2 -7.031 -2.593 -1.312 12 HE ARG 2 HE ARG 2 -4.728 -4.237 -1.717 13 HH11 ARG 2 1HH1 ARG 2 -7.521 -2.895 -3.438 14 HH12 ARG 2 2HH1 ARG 2 -6.717 -2.767 -4.931 15 HH21 ARG 2 1HH2 ARG 2 -3.624 -4.045 -3.754 16 HH22 ARG 2 2HH2 ARG 2 -4.435 -3.411 -5.112 17 H CYS 3 H CYS 3 -2.083 -3.291 2.750 18 HA CYS 3 HA CYS 3 -0.974 -0.709 1.920 19 HB2 CYS 3 2HB CYS 3 0.220 -2.753 3.835 20 HB3 CYS 3 1HB CYS 3 0.928 -1.212 3.397 21 H THR 4 H THR 4 0.524 -0.698 0.328 22 HA THR 4 HA THR 4 0.751 -3.013 -1.246 23 HB THR 4 HB THR 4 2.406 -1.622 -2.544 24 HG1 THR 4 1HG THR 4 3.285 -0.081 -1.480 25 HG21 THR 4 1HG2 THR 4 -0.203 -0.266 -1.846 26 HG22 THR 4 2HG2 THR 4 0.016 -1.519 -3.070 27 HG23 THR 4 3HG2 THR 4 0.768 0.062 -3.280 28 H LYS 5 H LYS 5 2.318 -4.540 -1.300 29 HA LYS 5 HA LYS 5 4.366 -4.424 0.732 30 HB2 LYS 5 2HB LYS 5 3.527 -6.595 -1.205 31 HB3 LYS 5 1HB LYS 5 4.982 -6.739 -0.238 32 HG2 LYS 5 2HG LYS 5 3.237 -7.970 0.849 33 HG3 LYS 5 1HG LYS 5 3.568 -6.537 1.810 34 HD2 LYS 5 2HD LYS 5 1.591 -5.443 0.791 35 HD3 LYS 5 1HD LYS 5 1.257 -6.930 -0.096 36 HE2 LYS 5 2HE LYS 5 -0.147 -6.813 1.888 37 HE3 LYS 5 1HE LYS 5 1.011 -8.130 2.042 38 HZ1 LYS 5 1HZ LYS 5 1.322 -5.447 3.285 39 HZ2 LYS 5 2HZ LYS 5 2.340 -6.774 3.531 40 HZ3 LYS 5 3HZ LYS 5 0.751 -6.812 4.076 41 H SER 6 H SER 6 3.923 -3.569 -2.420 42 HA SER 6 HA SER 6 6.670 -3.498 -3.184 43 HB2 SER 6 2HB SER 6 5.403 -2.150 -5.075 44 HB3 SER 6 1HB SER 6 5.245 -3.906 -4.981 45 HG SER 6 HG SER 6 3.306 -2.175 -4.928 46 H ILE 7 H ILE 7 7.823 -1.468 -3.310 47 HA ILE 7 HA ILE 7 6.773 0.495 -1.437 48 HB ILE 7 HB ILE 7 9.052 1.499 -1.447 49 HG12 ILE 7 2HG1 ILE 7 9.777 -0.857 -3.218 50 HG13 ILE 7 1HG1 ILE 7 9.723 0.827 -3.726 51 HG21 ILE 7 1HG2 ILE 7 8.476 -0.137 0.239 52 HG22 ILE 7 2HG2 ILE 7 10.166 -0.325 -0.228 53 HG23 ILE 7 3HG2 ILE 7 8.953 -1.450 -0.837 54 HD11 ILE 7 1HD1 ILE 7 12.001 0.086 -3.337 55 HD12 ILE 7 2HD1 ILE 7 11.590 -0.344 -1.676 56 HD13 ILE 7 3HD1 ILE 7 11.542 1.343 -2.188 57 HA PRO 8 HA PRO 8 7.286 2.693 -0.884 58 HB2 PRO 8 2HB PRO 8 5.215 4.689 -1.175 59 HB3 PRO 8 1HB PRO 8 6.930 4.924 -0.836 60 HG2 PRO 8 2HG PRO 8 5.735 5.672 -3.179 61 HG3 PRO 8 1HG PRO 8 7.449 5.255 -3.036 62 HD2 PRO 8 2HD PRO 8 5.170 3.595 -4.033 63 HD3 PRO 8 1HD PRO 8 6.828 3.725 -4.657 64 HA PRO 9 HA PRO 9 3.731 0.443 0.561 65 HB2 PRO 9 2HB PRO 9 3.850 1.042 3.203 66 HB3 PRO 9 1HB PRO 9 4.971 -0.088 2.439 67 HG2 PRO 9 2HG PRO 9 5.357 2.794 3.130 68 HG3 PRO 9 1HG PRO 9 6.483 1.439 3.330 69 HD2 PRO 9 2HD PRO 9 6.664 3.209 1.286 70 HD3 PRO 9 1HD PRO 9 7.140 1.507 1.119 71 H ARG 10 H ARG 10 2.015 1.494 -0.317 72 HA ARG 10 HA ARG 10 0.977 3.861 1.069 73 HB2 ARG 10 2HB ARG 10 1.158 3.853 -1.430 74 HB3 ARG 10 1HB ARG 10 0.011 2.528 -1.465 75 HG2 ARG 10 2HG ARG 10 -1.268 4.427 -1.967 76 HG3 ARG 10 1HG ARG 10 -1.605 4.103 -0.273 77 HD2 ARG 10 2HD ARG 10 0.442 6.118 -1.215 78 HD3 ARG 10 1HD ARG 10 -1.228 6.529 -0.883 79 HE ARG 10 HE ARG 10 -0.377 5.399 1.439 80 HH11 ARG 10 1HH1 ARG 10 0.947 8.020 -0.572 81 HH12 ARG 10 2HH1 ARG 10 1.530 8.907 0.751 82 HH21 ARG 10 1HH2 ARG 10 0.459 6.665 3.245 83 HH22 ARG 10 2HH2 ARG 10 1.277 8.123 2.929 84 H CYS 11 H CYS 11 -0.422 3.438 2.652 85 HA CYS 11 HA CYS 11 -1.890 0.949 2.580 86 HB2 CYS 11 2HB CYS 11 -1.466 2.973 4.776 87 HB3 CYS 11 1HB CYS 11 -2.484 1.551 4.933 88 H PHE 12 H PHE 12 -3.748 0.928 1.774 89 HA PHE 12 HA PHE 12 -5.316 3.330 1.459 90 HB2 PHE 12 2HB PHE 12 -5.852 0.463 0.608 91 HB3 PHE 12 1HB PHE 12 -6.810 1.861 0.139 92 HD1 PHE 12 1HD PHE 12 -3.764 -0.037 -0.470 93 HD2 PHE 12 2HD PHE 12 -5.877 3.539 -1.418 94 HE1 PHE 12 1HE PHE 12 -2.308 0.302 -2.423 95 HE2 PHE 12 2HE PHE 12 -4.420 3.880 -3.370 96 HZ PHE 12 HZ PHE 12 -2.634 2.265 -3.876 97 HA PRO 13 HA PRO 13 -7.350 2.958 5.290 98 HB2 PRO 13 2HB PRO 13 -9.857 3.886 4.616 99 HB3 PRO 13 1HB PRO 13 -8.449 4.899 4.946 100 HG2 PRO 13 2HG PRO 13 -9.567 3.994 2.331 101 HG3 PRO 13 1HG PRO 13 -8.937 5.584 2.782 102 HD2 PRO 13 2HD PRO 13 -7.467 3.897 1.337 103 HD3 PRO 13 1HD PRO 13 -6.719 4.900 2.597 104 H ASP 14 H ASP 14 -8.525 1.065 2.707 105 HA ASP 14 HA ASP 14 -10.561 -0.220 4.318 106 HB2 ASP 14 2HB ASP 14 -10.981 -1.654 2.381 107 HB3 ASP 14 1HB ASP 14 -10.985 0.044 1.923
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