NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641549 | 6pio | 30620 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HN ARG 1 11.982 -0.437 0.650 2 HA ARG 1 HA ARG 1 12.147 1.556 2.810 3 HB2 ARG 1 2HB ARG 1 14.329 1.524 1.711 4 HB3 ARG 1 1HB ARG 1 13.571 1.704 0.144 5 HG2 ARG 1 2HG ARG 1 12.795 3.939 0.784 6 HG3 ARG 1 1HG ARG 1 13.590 3.758 2.350 7 HD2 ARG 1 2HD ARG 1 15.008 5.024 0.828 8 HD3 ARG 1 1HD ARG 1 15.743 3.469 1.210 9 HE ARG 1 HE ARG 1 14.148 3.495 -1.186 10 HH11 ARG 1 1HH1 ARG 1 17.387 3.914 0.132 11 HH12 ARG 1 2HH1 ARG 1 18.202 3.674 -1.340 12 HH21 ARG 1 1HH2 ARG 1 15.239 3.165 -3.249 13 HH22 ARG 1 2HH2 ARG 1 16.934 3.246 -3.316 14 H TRP 2 HN TRP 2 11.178 0.700 -0.452 15 HA TRP 2 HA TRP 2 9.632 2.988 -0.982 16 HB2 TRP 2 2HB TRP 2 10.585 1.568 -2.750 17 HB3 TRP 2 1HB TRP 2 9.573 0.232 -2.226 18 HD1 TRP 2 1HD TRP 2 8.492 3.884 -2.933 19 HE1 TRP 2 1HE TRP 2 6.693 3.827 -4.801 20 HE3 TRP 2 3HE TRP 2 8.513 -1.122 -3.957 21 HZ2 TRP 2 2HZ TRP 2 5.459 1.922 -6.459 22 HZ3 TRP 2 3HZ TRP 2 6.994 -1.981 -5.705 23 HH2 TRP 2 2HH TRP 2 5.506 -0.484 -6.924 24 H CYS 3 HN CYS 3 7.936 3.488 0.118 25 HA CYS 3 HA CYS 3 6.063 1.415 0.971 26 HB2 CYS 3 2HB CYS 3 6.501 4.203 2.059 27 HB3 CYS 3 1HB CYS 3 5.240 3.095 2.591 28 H PHE 4 HN PHE 4 4.189 1.375 0.027 29 HA PHE 4 HA PHE 4 3.306 3.723 -1.447 30 HB2 PHE 4 2HB PHE 4 2.564 2.175 -3.301 31 HB3 PHE 4 1HB PHE 4 4.302 2.370 -3.140 32 HD1 PHE 4 1HD PHE 4 5.682 0.554 -2.299 33 HD2 PHE 4 2HD PHE 4 1.499 0.062 -2.860 34 HE1 PHE 4 1HE PHE 4 5.952 -1.870 -2.150 35 HE2 PHE 4 2HE PHE 4 1.768 -2.372 -2.713 36 HZ PHE 4 HZ PHE 4 3.986 -3.339 -2.356 37 H ARG 5 HN ARG 5 1.135 3.976 -1.611 38 HA ARG 5 HA ARG 5 -0.443 2.455 0.313 39 HB2 ARG 5 2HB ARG 5 -0.384 4.894 0.547 40 HB3 ARG 5 1HB ARG 5 -0.991 5.072 -1.089 41 HG2 ARG 5 2HG ARG 5 -3.078 3.998 -0.445 42 HG3 ARG 5 1HG ARG 5 -2.478 3.791 1.196 43 HD2 ARG 5 2HD ARG 5 -3.944 5.744 1.067 44 HD3 ARG 5 1HD ARG 5 -2.288 6.243 1.410 45 HE ARG 5 HE ARG 5 -2.348 6.443 -1.234 46 HH11 ARG 5 1HH1 ARG 5 -4.770 7.599 1.119 47 HH12 ARG 5 2HH1 ARG 5 -5.193 8.944 0.175 48 HH21 ARG 5 1HH2 ARG 5 -2.955 8.269 -2.470 49 HH22 ARG 5 2HH2 ARG 5 -4.136 9.367 -1.885 50 H VAL 6 HN VAL 6 -1.658 0.903 -0.426 51 HA VAL 6 HA VAL 6 -2.544 0.938 -3.223 52 HB VAL 6 HB VAL 6 -2.655 -1.347 -1.227 53 HG11 VAL 6 1HG1 VAL 6 -3.046 -1.347 -4.218 54 HG12 VAL 6 2HG1 VAL 6 -4.310 -1.531 -3.004 55 HG13 VAL 6 3HG1 VAL 6 -3.065 -2.768 -3.175 56 HG21 VAL 6 1HG2 VAL 6 -0.339 -0.787 -1.692 57 HG22 VAL 6 2HG2 VAL 6 -0.653 -0.858 -3.426 58 HG23 VAL 6 3HG2 VAL 6 -0.764 -2.322 -2.449 59 H CYS 7 HN CYS 7 -4.586 1.522 -3.554 60 HA CYS 7 HA CYS 7 -6.480 1.274 -1.332 61 HB2 CYS 7 2HB CYS 7 -6.502 3.213 -3.653 62 HB3 CYS 7 1HB CYS 7 -7.724 3.100 -2.393 63 H TYR 8 HN TYR 8 -8.102 -0.087 -1.626 64 HA TYR 8 HA TYR 8 -9.009 -0.558 -4.331 65 HB2 TYR 8 2HB TYR 8 -8.942 -2.947 -4.203 66 HB3 TYR 8 1HB TYR 8 -7.363 -2.375 -3.715 67 HD1 TYR 8 1HD TYR 8 -9.825 -4.682 -3.067 68 HD2 TYR 8 2HD TYR 8 -7.205 -2.068 -1.001 69 HE1 TYR 8 1HE TYR 8 -9.997 -6.111 -1.091 70 HE2 TYR 8 2HE TYR 8 -7.360 -3.492 1.006 71 HH TYR 8 HH TYR 8 -8.983 -5.167 1.960 72 H ARG 9 HN ARG 9 -11.096 -0.374 -4.450 73 HA ARG 9 HA ARG 9 -13.294 -0.199 -3.940 74 HB2 ARG 9 2HB ARG 9 -12.924 -2.630 -3.505 75 HB3 ARG 9 1HB ARG 9 -12.621 -2.259 -1.821 76 HG2 ARG 9 2HG ARG 9 -14.931 -1.493 -1.571 77 HG3 ARG 9 1HG ARG 9 -15.228 -1.838 -3.277 78 HD2 ARG 9 2HD ARG 9 -16.031 -3.649 -1.845 79 HD3 ARG 9 1HD ARG 9 -14.733 -4.187 -2.905 80 HE ARG 9 HE ARG 9 -14.211 -3.408 -0.125 81 HH11 ARG 9 1HH1 ARG 9 -13.902 -5.810 -2.713 82 HH12 ARG 9 2HH1 ARG 9 -13.056 -6.929 -1.738 83 HH21 ARG 9 1HH2 ARG 9 -13.047 -4.915 1.148 84 HH22 ARG 9 2HH2 ARG 9 -12.574 -6.433 0.507 85 H GLY 10 HN GLY 10 -11.271 1.459 -2.467 86 HA2 GLY 10 2HA GLY 10 -11.896 3.421 -1.242 87 HA3 GLY 10 1HA GLY 10 -13.132 2.472 -0.434 88 H ILE 11 HN ILE 11 -10.698 0.405 -0.336 89 HA ILE 11 HA ILE 11 -9.860 1.356 2.299 90 HB ILE 11 HB ILE 11 -9.688 -1.397 1.053 91 HG12 ILE 11 2HG1 ILE 11 -11.945 -0.810 1.704 92 HG13 ILE 11 1HG1 ILE 11 -11.308 -2.027 2.805 93 HG21 ILE 11 1HG2 ILE 11 -7.771 -1.056 2.510 94 HG22 ILE 11 2HG2 ILE 11 -8.902 -2.200 3.232 95 HG23 ILE 11 3HG2 ILE 11 -8.836 -0.538 3.817 96 HD11 ILE 11 1HD1 ILE 11 -11.574 0.927 3.354 97 HD12 ILE 11 2HD1 ILE 11 -10.850 -0.241 4.448 98 HD13 ILE 11 3HD1 ILE 11 -12.562 -0.368 4.036 99 H CYS 12 HN CYS 12 -8.052 2.359 2.427 100 HA CYS 12 HA CYS 12 -5.899 1.783 0.528 101 HB2 CYS 12 2HB CYS 12 -6.452 4.160 2.276 102 HB3 CYS 12 1HB CYS 12 -5.017 3.977 1.266 103 H TYR 13 HN TYR 13 -4.100 0.882 1.245 104 HA TYR 13 HA TYR 13 -3.374 1.128 4.045 105 HB2 TYR 13 2HB TYR 13 -2.773 -1.280 4.139 106 HB3 TYR 13 1HB TYR 13 -4.498 -1.045 3.912 107 HD1 TYR 13 1HD TYR 13 -1.405 -2.258 2.416 108 HD2 TYR 13 2HD TYR 13 -5.561 -1.672 1.790 109 HE1 TYR 13 1HE TYR 13 -1.315 -3.752 0.474 110 HE2 TYR 13 2HE TYR 13 -5.483 -3.162 -0.152 111 HH TYR 13 HH TYR 13 -3.950 -4.064 -1.726 112 H ARG 14 HN ARG 14 -1.138 1.031 4.364 113 HA ARG 14 HA ARG 14 0.392 1.515 1.918 114 HB2 ARG 14 2HB ARG 14 0.395 3.296 3.581 115 HB3 ARG 14 1HB ARG 14 0.983 2.182 4.800 116 HG2 ARG 14 2HG ARG 14 3.030 1.867 3.374 117 HG3 ARG 14 1HG ARG 14 2.446 3.202 2.379 118 HD2 ARG 14 2HD ARG 14 4.037 4.006 4.032 119 HD3 ARG 14 1HD ARG 14 2.421 4.646 4.353 120 HE ARG 14 HE ARG 14 2.440 2.479 5.891 121 HH11 ARG 14 1HH1 ARG 14 4.923 4.989 5.581 122 HH12 ARG 14 2HH1 ARG 14 5.444 4.868 7.189 123 HH21 ARG 14 1HH2 ARG 14 3.185 2.290 8.102 124 HH22 ARG 14 2HH2 ARG 14 4.433 3.316 8.641 125 H LYS 15 HN LYS 15 1.833 0.107 1.266 126 HA LYS 15 HA LYS 15 2.832 -1.910 3.150 127 HB2 LYS 15 2HB LYS 15 2.501 -2.061 0.150 128 HB3 LYS 15 1HB LYS 15 3.439 -3.225 1.069 129 HG2 LYS 15 2HG LYS 15 0.498 -2.676 1.408 130 HG3 LYS 15 1HG LYS 15 1.202 -4.058 0.565 131 HD2 LYS 15 2HD LYS 15 2.320 -4.727 2.674 132 HD3 LYS 15 1HD LYS 15 1.518 -3.392 3.495 133 HE2 LYS 15 2HE LYS 15 -0.655 -4.356 2.953 134 HE3 LYS 15 1HE LYS 15 0.146 -5.695 2.130 135 HZ1 LYS 15 1HZ LYS 15 0.379 -5.038 5.018 136 HZ2 LYS 15 2HZ LYS 15 1.182 -6.301 4.261 137 HZ3 LYS 15 3HZ LYS 15 -0.478 -6.328 4.370 138 H CYS 16 HN CYS 16 5.052 -2.358 3.141 139 HA CYS 16 HA CYS 16 6.698 -0.399 1.705 140 HB2 CYS 16 2HB CYS 16 7.031 -1.267 4.584 141 HB3 CYS 16 1HB CYS 16 8.202 -0.316 3.680 142 H ARG 17 HN ARG 17 8.116 -1.299 0.473 143 HA ARG 17 HA ARG 17 9.043 -4.002 1.147 144 HB2 ARG 17 2HB ARG 17 8.929 -2.677 -1.578 145 HB3 ARG 17 1HB ARG 17 9.575 -4.280 -1.259 146 HG2 ARG 17 2HG ARG 17 7.384 -5.038 -0.542 147 HG3 ARG 17 1HG ARG 17 6.719 -3.429 -0.827 148 HD2 ARG 17 2HD ARG 17 7.388 -3.640 -3.211 149 HD3 ARG 17 1HD ARG 17 7.902 -5.295 -2.879 150 HE ARG 17 HE ARG 17 5.378 -5.285 -2.002 151 HH11 ARG 17 1HH1 ARG 17 6.816 -4.392 -5.112 152 HH12 ARG 17 2HH1 ARG 17 5.381 -4.624 -6.002 153 HH21 ARG 17 1HH2 ARG 17 3.419 -5.595 -3.232 154 HH22 ARG 17 2HH2 ARG 17 3.400 -5.347 -4.914 155 H GLY 18 HN GLY 18 10.688 -3.364 2.464 156 HA2 GLY 18 2HA GLY 18 12.927 -2.976 2.813 157 HA3 GLY 18 1HA GLY 18 13.062 -2.460 1.133 Start of MODEL 2 1 H1 ARG 1 HN ARG 1 13.004 0.485 1.317 2 HA ARG 1 HA ARG 1 11.584 1.852 3.487 3 HB2 ARG 1 2HB ARG 1 12.920 3.876 2.943 4 HB3 ARG 1 1HB ARG 1 13.922 2.526 3.441 5 HG2 ARG 1 2HG ARG 1 14.597 2.128 1.169 6 HG3 ARG 1 1HG ARG 1 13.475 3.360 0.578 7 HD2 ARG 1 2HD ARG 1 14.718 5.069 1.795 8 HD3 ARG 1 1HD ARG 1 15.803 3.839 2.433 9 HE ARG 1 HE ARG 1 16.291 3.412 -0.028 10 HH11 ARG 1 1HH1 ARG 1 15.395 6.655 1.118 11 HH12 ARG 1 2HH1 ARG 1 16.509 7.470 0.144 12 HH21 ARG 1 1HH2 ARG 1 17.849 4.558 -1.378 13 HH22 ARG 1 2HH2 ARG 1 17.937 6.256 -1.315 14 H TRP 2 HN TRP 2 11.257 0.872 0.412 15 HA TRP 2 HA TRP 2 9.841 3.171 -0.635 16 HB2 TRP 2 2HB TRP 2 11.272 1.644 -2.055 17 HB3 TRP 2 1HB TRP 2 10.104 0.368 -1.751 18 HD1 TRP 2 1HD TRP 2 7.536 0.924 -2.702 19 HE1 TRP 2 1HE TRP 2 6.863 2.145 -4.915 20 HE3 TRP 2 3HE TRP 2 11.923 3.307 -3.687 21 HZ2 TRP 2 2HZ TRP 2 8.051 3.854 -6.776 22 HZ3 TRP 2 3HZ TRP 2 12.087 4.705 -5.693 23 HH2 TRP 2 2HH TRP 2 10.188 4.975 -7.205 24 H CYS 3 HN CYS 3 7.895 3.498 0.298 25 HA CYS 3 HA CYS 3 6.252 1.126 0.760 26 HB2 CYS 3 2HB CYS 3 6.036 3.862 2.017 27 HB3 CYS 3 1HB CYS 3 4.995 2.488 2.354 28 H PHE 4 HN PHE 4 4.412 0.898 -0.300 29 HA PHE 4 HA PHE 4 3.538 3.145 -1.944 30 HB2 PHE 4 2HB PHE 4 2.808 1.456 -3.655 31 HB3 PHE 4 1HB PHE 4 4.544 1.578 -3.452 32 HD1 PHE 4 1HD PHE 4 5.808 -0.263 -2.437 33 HD2 PHE 4 2HD PHE 4 1.608 -0.554 -3.074 34 HE1 PHE 4 1HE PHE 4 5.939 -2.703 -2.147 35 HE2 PHE 4 2HE PHE 4 1.732 -2.993 -2.776 36 HZ PHE 4 HZ PHE 4 3.898 -4.070 -2.313 37 H ARG 5 HN ARG 5 1.368 3.423 -2.218 38 HA ARG 5 HA ARG 5 -0.289 2.195 -0.148 39 HB2 ARG 5 2HB ARG 5 -0.141 4.568 0.066 40 HB3 ARG 5 1HB ARG 5 -0.419 4.801 -1.650 41 HG2 ARG 5 2HG ARG 5 -2.726 4.047 -1.378 42 HG3 ARG 5 1HG ARG 5 -2.445 3.814 0.349 43 HD2 ARG 5 2HD ARG 5 -2.036 6.153 0.667 44 HD3 ARG 5 1HD ARG 5 -2.024 6.430 -1.073 45 HE ARG 5 HE ARG 5 -4.466 5.410 -0.614 46 HH11 ARG 5 1HH1 ARG 5 -2.748 8.095 0.947 47 HH12 ARG 5 2HH1 ARG 5 -4.123 9.091 1.060 48 HH21 ARG 5 1HH2 ARG 5 -6.372 6.784 -0.398 49 HH22 ARG 5 2HH2 ARG 5 -6.203 8.322 0.324 50 H VAL 6 HN VAL 6 -1.748 0.775 -0.775 51 HA VAL 6 HA VAL 6 -2.635 0.802 -3.567 52 HB VAL 6 HB VAL 6 -2.802 -1.493 -1.581 53 HG11 VAL 6 1HG1 VAL 6 -3.315 -2.871 -3.549 54 HG12 VAL 6 2HG1 VAL 6 -3.286 -1.424 -4.557 55 HG13 VAL 6 3HG1 VAL 6 -4.510 -1.597 -3.300 56 HG21 VAL 6 1HG2 VAL 6 -0.988 -2.552 -2.845 57 HG22 VAL 6 2HG2 VAL 6 -0.467 -1.033 -2.117 58 HG23 VAL 6 3HG2 VAL 6 -0.838 -1.105 -3.840 59 H CYS 7 HN CYS 7 -4.764 1.222 -3.900 60 HA CYS 7 HA CYS 7 -6.518 1.225 -1.559 61 HB2 CYS 7 2HB CYS 7 -6.452 3.233 -3.813 62 HB3 CYS 7 1HB CYS 7 -7.688 3.145 -2.563 63 H TYR 8 HN TYR 8 -8.338 0.163 -1.747 64 HA TYR 8 HA TYR 8 -9.584 -0.214 -4.312 65 HB2 TYR 8 2HB TYR 8 -9.581 -2.624 -4.292 66 HB3 TYR 8 1HB TYR 8 -7.925 -2.127 -3.976 67 HD1 TYR 8 1HD TYR 8 -7.288 -1.985 -1.416 68 HD2 TYR 8 2HD TYR 8 -10.482 -4.255 -3.015 69 HE1 TYR 8 1HE TYR 8 -7.220 -3.463 0.555 70 HE2 TYR 8 2HE TYR 8 -10.442 -5.724 -1.073 71 HH TYR 8 HH TYR 8 -8.871 -6.416 0.608 72 H ARG 9 HN ARG 9 -11.757 -0.060 -4.024 73 HA ARG 9 HA ARG 9 -13.812 0.005 -3.074 74 HB2 ARG 9 2HB ARG 9 -13.302 -2.361 -2.522 75 HB3 ARG 9 1HB ARG 9 -12.581 -1.855 -1.007 76 HG2 ARG 9 2HG ARG 9 -14.763 -1.048 -0.253 77 HG3 ARG 9 1HG ARG 9 -15.479 -1.577 -1.777 78 HD2 ARG 9 2HD ARG 9 -15.875 -3.216 -0.028 79 HD3 ARG 9 1HD ARG 9 -14.823 -3.868 -1.281 80 HE ARG 9 HE ARG 9 -13.196 -2.824 0.698 81 HH11 ARG 9 1HH1 ARG 9 -15.581 -5.408 0.369 82 HH12 ARG 9 2HH1 ARG 9 -14.899 -6.412 1.558 83 HH21 ARG 9 1HH2 ARG 9 -12.197 -4.257 2.368 84 HH22 ARG 9 2HH2 ARG 9 -12.945 -5.734 2.691 85 H GLY 10 HN GLY 10 -11.491 1.780 -2.122 86 HA2 GLY 10 2HA GLY 10 -11.622 3.746 -0.842 87 HA3 GLY 10 1HA GLY 10 -12.962 3.041 0.057 88 H ILE 11 HN ILE 11 -10.683 0.707 -0.148 89 HA ILE 11 HA ILE 11 -9.652 1.350 2.507 90 HB ILE 11 HB ILE 11 -9.569 -1.272 0.984 91 HG12 ILE 11 2HG1 ILE 11 -11.866 -0.714 1.587 92 HG13 ILE 11 1HG1 ILE 11 -11.300 -2.033 2.600 93 HG21 ILE 11 1HG2 ILE 11 -8.853 -0.646 3.854 94 HG22 ILE 11 2HG2 ILE 11 -7.721 -1.045 2.563 95 HG23 ILE 11 3HG2 ILE 11 -8.863 -2.258 3.135 96 HD11 ILE 11 1HD1 ILE 11 -12.582 -0.443 3.894 97 HD12 ILE 11 2HD1 ILE 11 -11.504 0.859 3.376 98 HD13 ILE 11 3HD1 ILE 11 -10.889 -0.423 4.411 99 H CYS 12 HN CYS 12 -7.794 2.268 2.554 100 HA CYS 12 HA CYS 12 -5.894 1.717 0.420 101 HB2 CYS 12 2HB CYS 12 -6.386 4.062 2.176 102 HB3 CYS 12 1HB CYS 12 -4.905 3.920 1.199 103 H TYR 13 HN TYR 13 -4.226 0.571 0.977 104 HA TYR 13 HA TYR 13 -3.312 0.704 3.734 105 HB2 TYR 13 2HB TYR 13 -2.816 -1.708 3.708 106 HB3 TYR 13 1HB TYR 13 -4.528 -1.408 3.498 107 HD1 TYR 13 1HD TYR 13 -1.561 -2.906 2.113 108 HD2 TYR 13 2HD TYR 13 -5.540 -1.728 1.194 109 HE1 TYR 13 1HE TYR 13 -1.540 -4.389 0.166 110 HE2 TYR 13 2HE TYR 13 -5.526 -3.210 -0.770 111 HH TYR 13 HH TYR 13 -3.966 -4.319 -2.248 112 H ARG 14 HN ARG 14 -1.086 0.531 3.998 113 HA ARG 14 HA ARG 14 0.352 1.092 1.513 114 HB2 ARG 14 2HB ARG 14 0.239 2.921 3.183 115 HB3 ARG 14 1HB ARG 14 1.043 1.873 4.342 116 HG2 ARG 14 2HG ARG 14 2.969 1.732 2.790 117 HG3 ARG 14 1HG ARG 14 2.174 2.926 1.762 118 HD2 ARG 14 2HD ARG 14 3.768 4.048 3.182 119 HD3 ARG 14 1HD ARG 14 2.133 4.480 3.685 120 HE ARG 14 HE ARG 14 2.603 2.461 5.314 121 HH11 ARG 14 1HH1 ARG 14 4.781 5.129 4.490 122 HH12 ARG 14 2HH1 ARG 14 5.538 5.122 6.017 123 HH21 ARG 14 1HH2 ARG 14 3.648 2.464 7.346 124 HH22 ARG 14 2HH2 ARG 14 4.902 3.568 7.674 125 H LYS 15 HN LYS 15 1.845 -0.288 0.937 126 HA LYS 15 HA LYS 15 2.772 -2.262 2.891 127 HB2 LYS 15 2HB LYS 15 2.571 -2.455 -0.117 128 HB3 LYS 15 1HB LYS 15 3.324 -3.676 0.893 129 HG2 LYS 15 2HG LYS 15 0.442 -2.816 1.069 130 HG3 LYS 15 1HG LYS 15 1.014 -4.239 0.206 131 HD2 LYS 15 2HD LYS 15 1.392 -3.751 3.169 132 HD3 LYS 15 1HD LYS 15 0.109 -4.730 2.480 133 HE2 LYS 15 2HE LYS 15 3.077 -5.260 2.196 134 HE3 LYS 15 1HE LYS 15 1.982 -6.103 3.280 135 HZ1 LYS 15 1HZ LYS 15 2.381 -7.366 1.284 136 HZ2 LYS 15 2HZ LYS 15 1.798 -6.126 0.305 137 HZ3 LYS 15 3HZ LYS 15 0.767 -6.922 1.370 138 H CYS 16 HN CYS 16 4.893 -2.393 3.257 139 HA CYS 16 HA CYS 16 6.564 -0.494 1.809 140 HB2 CYS 16 2HB CYS 16 6.768 -1.484 4.645 141 HB3 CYS 16 1HB CYS 16 8.015 -0.530 3.847 142 H ARG 17 HN ARG 17 8.190 -1.141 0.716 143 HA ARG 17 HA ARG 17 9.244 -3.814 1.180 144 HB2 ARG 17 2HB ARG 17 7.972 -3.631 -0.949 145 HB3 ARG 17 1HB ARG 17 9.018 -2.308 -1.436 146 HG2 ARG 17 2HG ARG 17 10.901 -3.762 -1.596 147 HG3 ARG 17 1HG ARG 17 9.995 -5.094 -0.867 148 HD2 ARG 17 2HD ARG 17 9.319 -3.746 -3.470 149 HD3 ARG 17 1HD ARG 17 10.143 -5.303 -3.317 150 HE ARG 17 HE ARG 17 7.932 -5.721 -1.895 151 HH11 ARG 17 1HH1 ARG 17 8.281 -4.349 -5.167 152 HH12 ARG 17 2HH1 ARG 17 6.777 -4.944 -5.700 153 HH21 ARG 17 1HH2 ARG 17 5.886 -6.523 -2.661 154 HH22 ARG 17 2HH2 ARG 17 5.384 -6.192 -4.251 155 H GLY 18 HN GLY 18 10.894 -3.221 2.464 156 HA2 GLY 18 2HA GLY 18 12.970 -2.362 2.985 157 HA3 GLY 18 1HA GLY 18 13.035 -1.652 1.369 Start of MODEL 3 1 H1 ARG 1 HN ARG 1 11.807 -0.336 1.029 2 HA ARG 1 HA ARG 1 11.451 1.262 3.377 3 HB2 ARG 1 2HB ARG 1 13.881 1.553 3.070 4 HB3 ARG 1 1HB ARG 1 13.613 2.077 1.414 5 HG2 ARG 1 2HG ARG 1 12.550 4.089 2.143 6 HG3 ARG 1 1HG ARG 1 12.517 3.532 3.812 7 HD2 ARG 1 2HD ARG 1 15.043 4.029 2.241 8 HD3 ARG 1 1HD ARG 1 14.309 5.199 3.335 9 HE ARG 1 HE ARG 1 14.553 3.323 5.030 10 HH11 ARG 1 1HH1 ARG 1 16.891 3.863 2.416 11 HH12 ARG 1 2HH1 ARG 1 18.234 3.331 3.305 12 HH21 ARG 1 1HH2 ARG 1 16.433 2.564 6.260 13 HH22 ARG 1 2HH2 ARG 1 17.962 2.538 5.520 14 H TRP 2 HN TRP 2 11.379 0.878 -0.073 15 HA TRP 2 HA TRP 2 9.864 3.123 -0.765 16 HB2 TRP 2 2HB TRP 2 10.994 1.520 -2.371 17 HB3 TRP 2 1HB TRP 2 9.735 0.352 -2.002 18 HD1 TRP 2 1HD TRP 2 7.132 1.414 -2.577 19 HE1 TRP 2 1HE TRP 2 6.421 2.673 -4.713 20 HE3 TRP 2 3HE TRP 2 11.715 2.872 -4.223 21 HZ2 TRP 2 2HZ TRP 2 7.641 4.072 -6.813 22 HZ3 TRP 2 3HZ TRP 2 11.862 4.162 -6.321 23 HH2 TRP 2 2HH TRP 2 9.862 4.742 -7.579 24 H CYS 3 HN CYS 3 7.870 3.633 -0.135 25 HA CYS 3 HA CYS 3 6.093 1.467 0.704 26 HB2 CYS 3 2HB CYS 3 6.113 4.362 1.574 27 HB3 CYS 3 1HB CYS 3 4.939 3.155 2.079 28 H PHE 4 HN PHE 4 4.265 1.207 -0.347 29 HA PHE 4 HA PHE 4 3.367 3.402 -2.006 30 HB2 PHE 4 2HB PHE 4 2.645 1.762 -3.757 31 HB3 PHE 4 1HB PHE 4 4.381 1.937 -3.586 32 HD1 PHE 4 1HD PHE 4 1.566 -0.320 -3.465 33 HD2 PHE 4 2HD PHE 4 5.690 0.086 -2.502 34 HE1 PHE 4 1HE PHE 4 1.783 -2.770 -3.326 35 HE2 PHE 4 2HE PHE 4 5.907 -2.348 -2.360 36 HZ PHE 4 HZ PHE 4 3.952 -3.781 -2.775 37 H ARG 5 HN ARG 5 1.386 3.931 -1.864 38 HA ARG 5 HA ARG 5 -0.368 2.568 -0.007 39 HB2 ARG 5 2HB ARG 5 -0.186 4.972 0.166 40 HB3 ARG 5 1HB ARG 5 -0.554 5.166 -1.536 41 HG2 ARG 5 2HG ARG 5 -2.828 4.291 -1.107 42 HG3 ARG 5 1HG ARG 5 -2.440 4.224 0.614 43 HD2 ARG 5 2HD ARG 5 -2.139 6.596 0.710 44 HD3 ARG 5 1HD ARG 5 -2.250 6.732 -1.044 45 HE ARG 5 HE ARG 5 -4.583 5.565 0.085 46 HH11 ARG 5 1HH1 ARG 5 -3.014 8.688 -0.408 47 HH12 ARG 5 2HH1 ARG 5 -4.452 9.572 -0.510 48 HH21 ARG 5 1HH2 ARG 5 -6.593 6.766 -0.052 49 HH22 ARG 5 2HH2 ARG 5 -6.551 8.438 -0.292 50 H VAL 6 HN VAL 6 -1.807 1.138 -0.684 51 HA VAL 6 HA VAL 6 -2.761 1.291 -3.464 52 HB VAL 6 HB VAL 6 -2.671 -1.180 -1.697 53 HG11 VAL 6 1HG1 VAL 6 -3.350 -0.880 -4.622 54 HG12 VAL 6 2HG1 VAL 6 -4.474 -1.261 -3.319 55 HG13 VAL 6 3HG1 VAL 6 -3.211 -2.410 -3.757 56 HG21 VAL 6 1HG2 VAL 6 -0.408 -0.518 -2.316 57 HG22 VAL 6 2HG2 VAL 6 -0.880 -0.455 -4.016 58 HG23 VAL 6 3HG2 VAL 6 -0.876 -1.995 -3.157 59 H CYS 7 HN CYS 7 -4.902 1.576 -3.693 60 HA CYS 7 HA CYS 7 -6.603 1.218 -1.341 61 HB2 CYS 7 2HB CYS 7 -6.774 3.391 -3.433 62 HB3 CYS 7 1HB CYS 7 -7.913 3.147 -2.116 63 H TYR 8 HN TYR 8 -8.163 -0.153 -1.656 64 HA TYR 8 HA TYR 8 -9.243 -0.450 -4.344 65 HB2 TYR 8 2HB TYR 8 -9.296 -2.874 -4.171 66 HB3 TYR 8 1HB TYR 8 -7.655 -2.327 -3.853 67 HD1 TYR 8 1HD TYR 8 -6.882 -2.244 -1.442 68 HD2 TYR 8 2HD TYR 8 -10.438 -4.210 -2.637 69 HE1 TYR 8 1HE TYR 8 -6.869 -3.541 0.662 70 HE2 TYR 8 2HE TYR 8 -10.451 -5.502 -0.560 71 HH TYR 8 HH TYR 8 -8.876 -6.240 1.143 72 H ARG 9 HN ARG 9 -11.309 -0.030 -4.311 73 HA ARG 9 HA ARG 9 -13.452 0.318 -3.690 74 HB2 ARG 9 2HB ARG 9 -13.257 -2.211 -3.532 75 HB3 ARG 9 1HB ARG 9 -13.040 -2.021 -1.801 76 HG2 ARG 9 2HG ARG 9 -15.260 -1.040 -1.617 77 HG3 ARG 9 1HG ARG 9 -15.476 -1.175 -3.362 78 HD2 ARG 9 2HD ARG 9 -15.213 -3.627 -3.160 79 HD3 ARG 9 1HD ARG 9 -15.105 -3.439 -1.410 80 HE ARG 9 HE ARG 9 -17.409 -2.188 -2.083 81 HH11 ARG 9 1HH1 ARG 9 -16.159 -5.480 -2.458 82 HH12 ARG 9 2HH1 ARG 9 -17.695 -6.216 -2.572 83 HH21 ARG 9 1HH2 ARG 9 -19.561 -3.242 -2.176 84 HH22 ARG 9 2HH2 ARG 9 -19.650 -4.923 -2.412 85 H GLY 10 HN GLY 10 -11.292 1.643 -2.145 86 HA2 GLY 10 2HA GLY 10 -11.722 3.449 -0.657 87 HA3 GLY 10 1HA GLY 10 -12.946 2.468 0.138 88 H ILE 11 HN ILE 11 -10.732 0.244 -0.120 89 HA ILE 11 HA ILE 11 -9.646 0.845 2.508 90 HB ILE 11 HB ILE 11 -9.412 -1.712 0.882 91 HG12 ILE 11 2HG1 ILE 11 -11.717 -1.260 1.574 92 HG13 ILE 11 1HG1 ILE 11 -11.056 -2.615 2.480 93 HG21 ILE 11 1HG2 ILE 11 -7.540 -1.455 2.435 94 HG22 ILE 11 2HG2 ILE 11 -8.619 -2.743 2.965 95 HG23 ILE 11 3HG2 ILE 11 -8.668 -1.172 3.765 96 HD11 ILE 11 1HD1 ILE 11 -12.368 -1.149 3.924 97 HD12 ILE 11 2HD1 ILE 11 -11.343 0.217 3.482 98 HD13 ILE 11 3HD1 ILE 11 -10.667 -1.128 4.395 99 H CYS 12 HN CYS 12 -8.002 2.041 2.547 100 HA CYS 12 HA CYS 12 -5.895 1.746 0.559 101 HB2 CYS 12 2HB CYS 12 -6.557 3.879 2.545 102 HB3 CYS 12 1HB CYS 12 -5.084 3.903 1.564 103 H TYR 13 HN TYR 13 -4.102 0.755 1.078 104 HA TYR 13 HA TYR 13 -3.274 0.780 3.857 105 HB2 TYR 13 2HB TYR 13 -2.525 -1.566 3.710 106 HB3 TYR 13 1HB TYR 13 -4.260 -1.427 3.497 107 HD1 TYR 13 1HD TYR 13 -1.101 -2.329 1.949 108 HD2 TYR 13 2HD TYR 13 -5.275 -1.890 1.296 109 HE1 TYR 13 1HE TYR 13 -0.912 -3.661 -0.090 110 HE2 TYR 13 2HE TYR 13 -5.106 -3.224 -0.749 111 HH TYR 13 HH TYR 13 -3.341 -3.906 -2.420 112 H ARG 14 HN ARG 14 -0.992 0.422 4.128 113 HA ARG 14 HA ARG 14 0.484 1.557 1.852 114 HB2 ARG 14 2HB ARG 14 0.268 2.967 3.894 115 HB3 ARG 14 1HB ARG 14 1.074 1.701 4.809 116 HG2 ARG 14 2HG ARG 14 3.037 1.979 3.289 117 HG3 ARG 14 1HG ARG 14 2.214 3.384 2.609 118 HD2 ARG 14 2HD ARG 14 3.078 3.008 5.477 119 HD3 ARG 14 1HD ARG 14 3.805 4.081 4.289 120 HE ARG 14 HE ARG 14 1.024 4.623 4.747 121 HH11 ARG 14 1HH1 ARG 14 4.311 5.329 5.900 122 HH12 ARG 14 2HH1 ARG 14 3.838 6.716 6.768 123 HH21 ARG 14 1HH2 ARG 14 0.399 6.545 5.989 124 HH22 ARG 14 2HH2 ARG 14 1.603 7.396 6.823 125 H LYS 15 HN LYS 15 1.870 0.122 0.975 126 HA LYS 15 HA LYS 15 2.935 -1.966 2.735 127 HB2 LYS 15 2HB LYS 15 2.511 -1.926 -0.239 128 HB3 LYS 15 1HB LYS 15 3.651 -3.032 0.499 129 HG2 LYS 15 2HG LYS 15 0.710 -2.887 1.107 130 HG3 LYS 15 1HG LYS 15 1.480 -4.084 0.063 131 HD2 LYS 15 2HD LYS 15 2.897 -4.740 2.050 132 HD3 LYS 15 1HD LYS 15 1.872 -3.700 3.035 133 HE2 LYS 15 2HE LYS 15 1.099 -5.960 3.237 134 HE3 LYS 15 1HE LYS 15 -0.084 -5.026 2.324 135 HZ1 LYS 15 1HZ LYS 15 0.805 -6.005 0.268 136 HZ2 LYS 15 2HZ LYS 15 0.296 -7.196 1.328 137 HZ3 LYS 15 3HZ LYS 15 1.926 -6.895 1.153 138 H CYS 16 HN CYS 16 4.953 -1.835 3.319 139 HA CYS 16 HA CYS 16 6.723 -0.158 1.689 140 HB2 CYS 16 2HB CYS 16 6.846 -0.769 4.645 141 HB3 CYS 16 1HB CYS 16 8.022 0.186 3.754 142 H ARG 17 HN ARG 17 8.146 -1.271 0.625 143 HA ARG 17 HA ARG 17 8.922 -3.847 1.759 144 HB2 ARG 17 2HB ARG 17 7.567 -3.898 -0.397 145 HB3 ARG 17 1HB ARG 17 8.960 -3.167 -1.182 146 HG2 ARG 17 2HG ARG 17 10.326 -5.068 -0.636 147 HG3 ARG 17 1HG ARG 17 9.011 -5.782 0.296 148 HD2 ARG 17 2HD ARG 17 7.651 -5.780 -1.813 149 HD3 ARG 17 1HD ARG 17 9.126 -5.318 -2.668 150 HE ARG 17 HE ARG 17 9.905 -7.461 -1.297 151 HH11 ARG 17 1HH1 ARG 17 7.207 -6.917 -3.488 152 HH12 ARG 17 2HH1 ARG 17 7.039 -8.547 -3.952 153 HH21 ARG 17 1HH2 ARG 17 9.643 -9.736 -1.863 154 HH22 ARG 17 2HH2 ARG 17 8.463 -10.183 -2.989 155 H GLY 18 HN GLY 18 10.768 -3.442 2.713 156 HA2 GLY 18 2HA GLY 18 13.061 -3.066 2.801 157 HA3 GLY 18 1HA GLY 18 12.986 -2.358 1.183 Start of MODEL 4 1 H1 ARG 1 HN ARG 1 12.633 0.007 1.398 2 HA ARG 1 HA ARG 1 11.536 1.658 3.564 3 HB2 ARG 1 2HB ARG 1 13.135 3.411 3.013 4 HB3 ARG 1 1HB ARG 1 13.962 1.930 3.461 5 HG2 ARG 1 2HG ARG 1 14.414 1.446 1.133 6 HG3 ARG 1 1HG ARG 1 13.530 2.894 0.638 7 HD2 ARG 1 2HD ARG 1 16.000 2.802 2.350 8 HD3 ARG 1 1HD ARG 1 15.941 3.279 0.649 9 HE ARG 1 HE ARG 1 14.199 4.959 1.766 10 HH11 ARG 1 1HH1 ARG 1 17.543 4.140 2.556 11 HH12 ARG 1 2HH1 ARG 1 17.881 5.634 3.304 12 HH21 ARG 1 1HH2 ARG 1 14.644 6.988 2.829 13 HH22 ARG 1 2HH2 ARG 1 16.186 7.272 3.491 14 H TRP 2 HN TRP 2 11.007 0.581 0.552 15 HA TRP 2 HA TRP 2 9.899 3.089 -0.481 16 HB2 TRP 2 2HB TRP 2 11.305 1.574 -1.927 17 HB3 TRP 2 1HB TRP 2 10.042 0.361 -1.761 18 HD1 TRP 2 1HD TRP 2 7.692 0.960 -2.874 19 HE1 TRP 2 1HE TRP 2 7.126 2.378 -5.006 20 HE3 TRP 2 3HE TRP 2 12.002 3.599 -3.211 21 HZ2 TRP 2 2HZ TRP 2 8.389 4.364 -6.558 22 HZ3 TRP 2 3HZ TRP 2 12.271 5.239 -5.028 23 HH2 TRP 2 2HH TRP 2 10.496 5.610 -6.663 24 H CYS 3 HN CYS 3 8.021 3.546 0.333 25 HA CYS 3 HA CYS 3 6.108 1.369 0.769 26 HB2 CYS 3 2HB CYS 3 6.298 4.048 2.150 27 HB3 CYS 3 1HB CYS 3 5.026 2.867 2.405 28 H PHE 4 HN PHE 4 4.383 1.354 -0.406 29 HA PHE 4 HA PHE 4 3.539 3.826 -1.679 30 HB2 PHE 4 2HB PHE 4 2.882 2.513 -3.700 31 HB3 PHE 4 1HB PHE 4 4.615 2.547 -3.423 32 HD1 PHE 4 1HD PHE 4 5.741 0.511 -2.536 33 HD2 PHE 4 2HD PHE 4 1.667 0.493 -3.744 34 HE1 PHE 4 1HE PHE 4 5.804 -1.941 -2.693 35 HE2 PHE 4 2HE PHE 4 1.721 -1.953 -3.892 36 HZ PHE 4 HZ PHE 4 3.783 -3.176 -3.368 37 H ARG 5 HN ARG 5 1.264 3.757 -2.386 38 HA ARG 5 HA ARG 5 -0.320 2.534 -0.247 39 HB2 ARG 5 2HB ARG 5 -0.295 4.967 -0.351 40 HB3 ARG 5 1HB ARG 5 -0.802 4.910 -2.018 41 HG2 ARG 5 2HG ARG 5 -2.934 3.910 -1.364 42 HG3 ARG 5 1HG ARG 5 -2.438 3.979 0.330 43 HD2 ARG 5 2HD ARG 5 -3.895 5.865 -0.323 44 HD3 ARG 5 1HD ARG 5 -2.304 6.387 0.236 45 HE ARG 5 HE ARG 5 -2.499 6.044 -2.611 46 HH11 ARG 5 1HH1 ARG 5 -3.036 8.318 0.025 47 HH12 ARG 5 2HH1 ARG 5 -2.772 9.701 -0.945 48 HH21 ARG 5 1HH2 ARG 5 -2.134 7.924 -3.918 49 HH22 ARG 5 2HH2 ARG 5 -2.239 9.475 -3.229 50 H VAL 6 HN VAL 6 -1.798 1.059 -0.789 51 HA VAL 6 HA VAL 6 -2.679 0.924 -3.593 52 HB VAL 6 HB VAL 6 -2.548 -1.404 -1.644 53 HG11 VAL 6 1HG1 VAL 6 -2.988 -2.781 -3.611 54 HG12 VAL 6 2HG1 VAL 6 -3.115 -1.330 -4.603 55 HG13 VAL 6 3HG1 VAL 6 -4.290 -1.630 -3.319 56 HG21 VAL 6 1HG2 VAL 6 -0.687 -2.263 -2.983 57 HG22 VAL 6 2HG2 VAL 6 -0.286 -0.712 -2.245 58 HG23 VAL 6 3HG2 VAL 6 -0.708 -0.792 -3.956 59 H CYS 7 HN CYS 7 -4.881 1.033 -3.869 60 HA CYS 7 HA CYS 7 -6.506 1.002 -1.429 61 HB2 CYS 7 2HB CYS 7 -6.776 2.860 -3.794 62 HB3 CYS 7 1HB CYS 7 -7.836 2.794 -2.395 63 H TYR 8 HN TYR 8 -8.358 -0.147 -1.541 64 HA TYR 8 HA TYR 8 -9.543 -0.621 -4.122 65 HB2 TYR 8 2HB TYR 8 -9.670 -3.005 -3.979 66 HB3 TYR 8 1HB TYR 8 -8.011 -2.577 -3.608 67 HD1 TYR 8 1HD TYR 8 -7.471 -2.389 -1.033 68 HD2 TYR 8 2HD TYR 8 -10.770 -4.496 -2.657 69 HE1 TYR 8 1HE TYR 8 -7.590 -3.774 1.011 70 HE2 TYR 8 2HE TYR 8 -10.917 -5.872 -0.638 71 HH TYR 8 HH TYR 8 -9.365 -6.612 1.168 72 H ARG 9 HN ARG 9 -11.614 -0.260 -4.004 73 HA ARG 9 HA ARG 9 -13.732 0.092 -3.276 74 HB2 ARG 9 2HB ARG 9 -13.592 -2.307 -2.645 75 HB3 ARG 9 1HB ARG 9 -12.989 -1.857 -1.068 76 HG2 ARG 9 2HG ARG 9 -15.331 -2.530 -0.952 77 HG3 ARG 9 1HG ARG 9 -15.157 -0.830 -0.534 78 HD2 ARG 9 2HD ARG 9 -15.957 -1.812 -3.274 79 HD3 ARG 9 1HD ARG 9 -17.118 -1.379 -2.022 80 HE ARG 9 HE ARG 9 -15.631 0.823 -2.171 81 HH11 ARG 9 1HH1 ARG 9 -17.214 -1.086 -4.692 82 HH12 ARG 9 2HH1 ARG 9 -17.437 0.199 -5.763 83 HH21 ARG 9 1HH2 ARG 9 -15.891 2.648 -3.687 84 HH22 ARG 9 2HH2 ARG 9 -16.642 2.382 -5.182 85 H GLY 10 HN GLY 10 -11.296 1.504 -1.991 86 HA2 GLY 10 2HA GLY 10 -11.640 3.654 -0.913 87 HA3 GLY 10 1HA GLY 10 -12.873 2.885 0.071 88 H ILE 11 HN ILE 11 -10.748 0.534 0.049 89 HA ILE 11 HA ILE 11 -9.551 1.421 2.541 90 HB ILE 11 HB ILE 11 -9.670 -1.307 1.226 91 HG12 ILE 11 2HG1 ILE 11 -11.793 -0.554 2.162 92 HG13 ILE 11 1HG1 ILE 11 -11.149 -1.892 3.104 93 HG21 ILE 11 1HG2 ILE 11 -8.682 -2.217 3.279 94 HG22 ILE 11 2HG2 ILE 11 -8.461 -0.579 3.894 95 HG23 ILE 11 3HG2 ILE 11 -7.578 -1.110 2.463 96 HD11 ILE 11 1HD1 ILE 11 -11.074 1.030 3.845 97 HD12 ILE 11 2HD1 ILE 11 -10.339 -0.267 4.775 98 HD13 ILE 11 3HD1 ILE 11 -12.093 -0.217 4.570 99 H CYS 12 HN CYS 12 -7.717 2.393 2.466 100 HA CYS 12 HA CYS 12 -5.805 1.653 0.392 101 HB2 CYS 12 2HB CYS 12 -6.108 4.137 2.051 102 HB3 CYS 12 1HB CYS 12 -4.773 3.863 0.926 103 H TYR 13 HN TYR 13 -4.145 0.515 1.004 104 HA TYR 13 HA TYR 13 -3.282 0.734 3.776 105 HB2 TYR 13 2HB TYR 13 -2.552 -1.675 3.646 106 HB3 TYR 13 1HB TYR 13 -4.288 -1.433 3.620 107 HD1 TYR 13 1HD TYR 13 -1.374 -2.551 1.721 108 HD2 TYR 13 2HD TYR 13 -5.577 -1.941 1.594 109 HE1 TYR 13 1HE TYR 13 -1.514 -3.951 -0.286 110 HE2 TYR 13 2HE TYR 13 -5.723 -3.349 -0.409 111 HH TYR 13 HH TYR 13 -3.210 -5.329 -1.413 112 H ARG 14 HN ARG 14 -0.997 0.172 4.123 113 HA ARG 14 HA ARG 14 0.544 1.506 2.018 114 HB2 ARG 14 2HB ARG 14 0.303 2.448 4.388 115 HB3 ARG 14 1HB ARG 14 1.281 1.093 4.912 116 HG2 ARG 14 2HG ARG 14 2.670 3.036 4.710 117 HG3 ARG 14 1HG ARG 14 3.103 1.900 3.429 118 HD2 ARG 14 2HD ARG 14 1.914 3.166 1.795 119 HD3 ARG 14 1HD ARG 14 1.165 4.160 3.045 120 HE ARG 14 HE ARG 14 3.824 4.572 3.368 121 HH11 ARG 14 1HH1 ARG 14 1.585 4.979 0.696 122 HH12 ARG 14 2HH1 ARG 14 2.422 6.282 -0.021 123 HH21 ARG 14 1HH2 ARG 14 4.971 6.365 2.430 124 HH22 ARG 14 2HH2 ARG 14 4.425 7.085 0.989 125 H LYS 15 HN LYS 15 1.774 0.164 0.860 126 HA LYS 15 HA LYS 15 2.701 -2.329 2.090 127 HB2 LYS 15 2HB LYS 15 2.436 -1.520 -0.810 128 HB3 LYS 15 1HB LYS 15 3.216 -3.002 -0.289 129 HG2 LYS 15 2HG LYS 15 0.339 -2.276 0.219 130 HG3 LYS 15 1HG LYS 15 0.908 -3.324 -1.076 131 HD2 LYS 15 2HD LYS 15 1.293 -3.845 1.881 132 HD3 LYS 15 1HD LYS 15 0.045 -4.583 0.889 133 HE2 LYS 15 2HE LYS 15 1.814 -5.586 -0.530 134 HE3 LYS 15 1HE LYS 15 3.025 -4.885 0.540 135 HZ1 LYS 15 1HZ LYS 15 0.962 -6.852 1.327 136 HZ2 LYS 15 2HZ LYS 15 2.147 -6.230 2.356 137 HZ3 LYS 15 3HZ LYS 15 2.573 -7.208 1.050 138 H CYS 16 HN CYS 16 4.714 -2.348 2.751 139 HA CYS 16 HA CYS 16 6.550 -0.433 1.535 140 HB2 CYS 16 2HB CYS 16 6.500 -1.557 4.330 141 HB3 CYS 16 1HB CYS 16 7.811 -0.578 3.678 142 H ARG 17 HN ARG 17 8.175 -1.169 0.494 143 HA ARG 17 HA ARG 17 9.112 -3.906 1.019 144 HB2 ARG 17 2HB ARG 17 9.467 -2.225 -1.483 145 HB3 ARG 17 1HB ARG 17 10.068 -3.857 -1.249 146 HG2 ARG 17 2HG ARG 17 7.765 -4.670 -1.121 147 HG3 ARG 17 1HG ARG 17 7.183 -3.026 -1.386 148 HD2 ARG 17 2HD ARG 17 8.862 -4.669 -3.280 149 HD3 ARG 17 1HD ARG 17 7.157 -4.272 -3.461 150 HE ARG 17 HE ARG 17 9.231 -2.181 -3.420 151 HH11 ARG 17 1HH1 ARG 17 6.475 -3.708 -5.061 152 HH12 ARG 17 2HH1 ARG 17 6.407 -2.549 -6.295 153 HH21 ARG 17 1HH2 ARG 17 9.140 -0.640 -5.092 154 HH22 ARG 17 2HH2 ARG 17 7.961 -0.746 -6.323 155 H GLY 18 HN GLY 18 10.543 -3.393 2.604 156 HA2 GLY 18 2HA GLY 18 12.579 -2.726 3.443 157 HA3 GLY 18 1HA GLY 18 12.979 -2.090 1.846 Start of MODEL 5 1 H1 ARG 1 HN ARG 1 13.022 0.086 0.545 2 HA ARG 1 HA ARG 1 12.090 1.974 2.599 3 HB2 ARG 1 2HB ARG 1 13.502 3.681 1.571 4 HB3 ARG 1 1HB ARG 1 14.458 2.283 2.022 5 HG2 ARG 1 2HG ARG 1 14.487 1.559 -0.319 6 HG3 ARG 1 1HG ARG 1 13.535 2.980 -0.763 7 HD2 ARG 1 2HD ARG 1 15.909 3.362 -1.190 8 HD3 ARG 1 1HD ARG 1 15.323 4.435 0.082 9 HE ARG 1 HE ARG 1 16.353 2.074 1.211 10 HH11 ARG 1 1HH1 ARG 1 17.480 5.110 -0.228 11 HH12 ARG 1 2HH1 ARG 1 18.985 5.057 0.557 12 HH21 ARG 1 1HH2 ARG 1 18.417 2.006 2.230 13 HH22 ARG 1 2HH2 ARG 1 19.532 3.261 1.971 14 H TRP 2 HN TRP 2 10.801 0.424 0.279 15 HA TRP 2 HA TRP 2 9.583 2.733 -1.076 16 HB2 TRP 2 2HB TRP 2 10.689 0.958 -2.482 17 HB3 TRP 2 1HB TRP 2 9.483 -0.169 -1.875 18 HD1 TRP 2 1HD TRP 2 6.898 0.409 -2.569 19 HE1 TRP 2 1HE TRP 2 5.975 1.480 -4.759 20 HE3 TRP 2 3HE TRP 2 11.166 2.548 -4.258 21 HZ2 TRP 2 2HZ TRP 2 6.979 3.007 -6.903 22 HZ3 TRP 2 3HZ TRP 2 11.128 3.798 -6.384 23 HH2 TRP 2 2HH TRP 2 9.068 4.015 -7.671 24 H CYS 3 HN CYS 3 7.948 3.358 0.128 25 HA CYS 3 HA CYS 3 6.028 1.312 0.958 26 HB2 CYS 3 2HB CYS 3 6.429 4.136 1.976 27 HB3 CYS 3 1HB CYS 3 5.130 3.056 2.477 28 H PHE 4 HN PHE 4 4.047 1.334 0.114 29 HA PHE 4 HA PHE 4 3.250 3.612 -1.490 30 HB2 PHE 4 2HB PHE 4 2.663 2.189 -3.420 31 HB3 PHE 4 1HB PHE 4 4.384 2.133 -3.082 32 HD1 PHE 4 1HD PHE 4 1.563 0.234 -3.873 33 HD2 PHE 4 2HD PHE 4 5.105 0.086 -1.524 34 HE1 PHE 4 1HE PHE 4 1.450 -2.222 -3.856 35 HE2 PHE 4 2HE PHE 4 4.992 -2.365 -1.505 36 HZ PHE 4 HZ PHE 4 3.166 -3.523 -2.672 37 H ARG 5 HN ARG 5 1.039 3.810 -1.742 38 HA ARG 5 HA ARG 5 -0.476 2.276 0.240 39 HB2 ARG 5 2HB ARG 5 -0.317 4.781 0.456 40 HB3 ARG 5 1HB ARG 5 -1.219 4.901 -1.046 41 HG2 ARG 5 2HG ARG 5 -3.104 3.748 -0.015 42 HG3 ARG 5 1HG ARG 5 -2.202 3.618 1.493 43 HD2 ARG 5 2HD ARG 5 -3.645 5.490 1.743 44 HD3 ARG 5 1HD ARG 5 -2.030 6.128 1.474 45 HE ARG 5 HE ARG 5 -3.601 5.876 -0.922 46 HH11 ARG 5 1HH1 ARG 5 -2.639 8.038 1.711 47 HH12 ARG 5 2HH1 ARG 5 -3.281 9.441 0.998 48 HH21 ARG 5 1HH2 ARG 5 -4.470 7.818 -1.917 49 HH22 ARG 5 2HH2 ARG 5 -4.352 9.306 -1.101 50 H VAL 6 HN VAL 6 -1.711 0.749 -0.517 51 HA VAL 6 HA VAL 6 -2.672 0.830 -3.280 52 HB VAL 6 HB VAL 6 -2.844 -1.426 -1.256 53 HG11 VAL 6 1HG1 VAL 6 -3.238 -1.441 -4.245 54 HG12 VAL 6 2HG1 VAL 6 -4.498 -1.599 -3.023 55 HG13 VAL 6 3HG1 VAL 6 -3.275 -2.860 -3.198 56 HG21 VAL 6 1HG2 VAL 6 -0.507 -0.943 -1.716 57 HG22 VAL 6 2HG2 VAL 6 -0.815 -1.035 -3.450 58 HG23 VAL 6 3HG2 VAL 6 -0.975 -2.478 -2.448 59 H CYS 7 HN CYS 7 -4.779 1.291 -3.613 60 HA CYS 7 HA CYS 7 -6.561 1.141 -1.287 61 HB2 CYS 7 2HB CYS 7 -6.629 3.207 -3.494 62 HB3 CYS 7 1HB CYS 7 -7.782 3.083 -2.173 63 H TYR 8 HN TYR 8 -7.964 -0.402 -1.536 64 HA TYR 8 HA TYR 8 -9.022 -0.736 -4.223 65 HB2 TYR 8 2HB TYR 8 -9.220 -3.100 -3.968 66 HB3 TYR 8 1HB TYR 8 -7.619 -2.667 -3.395 67 HD1 TYR 8 1HD TYR 8 -7.306 -2.501 -0.842 68 HD2 TYR 8 2HD TYR 8 -10.636 -4.370 -2.673 69 HE1 TYR 8 1HE TYR 8 -7.728 -3.765 1.234 70 HE2 TYR 8 2HE TYR 8 -11.094 -5.631 -0.623 71 HH TYR 8 HH TYR 8 -9.770 -6.425 1.342 72 H ARG 9 HN ARG 9 -10.980 -0.029 -4.387 73 HA ARG 9 HA ARG 9 -13.168 0.425 -4.019 74 HB2 ARG 9 2HB ARG 9 -12.966 -1.650 -1.828 75 HB3 ARG 9 1HB ARG 9 -14.453 -1.084 -2.579 76 HG2 ARG 9 2HG ARG 9 -13.811 -2.029 -4.689 77 HG3 ARG 9 1HG ARG 9 -12.227 -2.459 -4.050 78 HD2 ARG 9 2HD ARG 9 -13.439 -3.891 -2.375 79 HD3 ARG 9 1HD ARG 9 -14.898 -3.617 -3.334 80 HE ARG 9 HE ARG 9 -13.037 -4.402 -5.126 81 HH11 ARG 9 1HH1 ARG 9 -14.493 -5.827 -2.260 82 HH12 ARG 9 2HH1 ARG 9 -14.118 -7.438 -2.682 83 HH21 ARG 9 1HH2 ARG 9 -12.488 -6.615 -5.716 84 HH22 ARG 9 2HH2 ARG 9 -12.944 -7.894 -4.686 85 H GLY 10 HN GLY 10 -10.965 1.698 -2.468 86 HA2 GLY 10 2HA GLY 10 -11.257 3.738 -1.298 87 HA3 GLY 10 1HA GLY 10 -12.671 3.048 -0.521 88 H ILE 11 HN ILE 11 -10.723 0.543 -0.324 89 HA ILE 11 HA ILE 11 -9.829 1.285 2.339 90 HB ILE 11 HB ILE 11 -9.789 -1.422 0.966 91 HG12 ILE 11 2HG1 ILE 11 -12.066 -0.669 1.386 92 HG13 ILE 11 1HG1 ILE 11 -11.651 -1.969 2.499 93 HG21 ILE 11 1HG2 ILE 11 -9.216 -0.705 3.850 94 HG22 ILE 11 2HG2 ILE 11 -8.035 -1.263 2.666 95 HG23 ILE 11 3HG2 ILE 11 -9.321 -2.343 3.203 96 HD11 ILE 11 1HD1 ILE 11 -11.261 -0.313 4.265 97 HD12 ILE 11 2HD1 ILE 11 -12.905 -0.227 3.630 98 HD13 ILE 11 3HD1 ILE 11 -11.708 0.977 3.150 99 H CYS 12 HN CYS 12 -8.069 2.313 2.412 100 HA CYS 12 HA CYS 12 -5.905 1.721 0.568 101 HB2 CYS 12 2HB CYS 12 -6.451 3.989 2.442 102 HB3 CYS 12 1HB CYS 12 -4.976 3.847 1.478 103 H TYR 13 HN TYR 13 -4.222 0.621 1.220 104 HA TYR 13 HA TYR 13 -3.411 0.835 3.996 105 HB2 TYR 13 2HB TYR 13 -2.885 -1.579 4.098 106 HB3 TYR 13 1HB TYR 13 -4.602 -1.312 3.861 107 HD1 TYR 13 1HD TYR 13 -1.521 -2.618 2.416 108 HD2 TYR 13 2HD TYR 13 -5.667 -1.940 1.720 109 HE1 TYR 13 1HE TYR 13 -1.446 -4.169 0.533 110 HE2 TYR 13 2HE TYR 13 -5.600 -3.513 -0.166 111 HH TYR 13 HH TYR 13 -3.104 -5.643 -0.616 112 H ARG 14 HN ARG 14 -1.175 0.713 4.256 113 HA ARG 14 HA ARG 14 0.223 1.107 1.721 114 HB2 ARG 14 2HB ARG 14 0.150 3.063 3.178 115 HB3 ARG 14 1HB ARG 14 0.908 2.143 4.466 116 HG2 ARG 14 2HG ARG 14 2.908 1.884 3.086 117 HG3 ARG 14 1HG ARG 14 2.138 2.824 1.808 118 HD2 ARG 14 2HD ARG 14 3.604 4.246 3.053 119 HD3 ARG 14 1HD ARG 14 1.938 4.714 3.386 120 HE ARG 14 HE ARG 14 2.434 3.069 5.411 121 HH11 ARG 14 1HH1 ARG 14 4.422 5.685 4.072 122 HH12 ARG 14 2HH1 ARG 14 5.100 6.115 5.582 123 HH21 ARG 14 1HH2 ARG 14 3.385 3.685 7.498 124 HH22 ARG 14 2HH2 ARG 14 4.480 4.975 7.552 125 H LYS 15 HN LYS 15 1.736 -0.191 1.143 126 HA LYS 15 HA LYS 15 2.752 -2.190 3.038 127 HB2 LYS 15 2HB LYS 15 2.599 -2.142 0.020 128 HB3 LYS 15 1HB LYS 15 3.538 -3.334 0.905 129 HG2 LYS 15 2HG LYS 15 0.572 -2.923 1.159 130 HG3 LYS 15 1HG LYS 15 1.343 -4.132 0.131 131 HD2 LYS 15 2HD LYS 15 2.434 -5.076 2.158 132 HD3 LYS 15 1HD LYS 15 1.514 -3.932 3.137 133 HE2 LYS 15 2HE LYS 15 -0.563 -4.878 2.297 134 HE3 LYS 15 1HE LYS 15 0.345 -6.023 1.311 135 HZ1 LYS 15 1HZ LYS 15 -0.451 -6.985 3.412 136 HZ2 LYS 15 2HZ LYS 15 0.470 -5.864 4.268 137 HZ3 LYS 15 3HZ LYS 15 1.231 -7.007 3.309 138 H CYS 16 HN CYS 16 4.988 -2.457 3.224 139 HA CYS 16 HA CYS 16 6.619 -0.445 1.879 140 HB2 CYS 16 2HB CYS 16 6.714 -1.219 4.797 141 HB3 CYS 16 1HB CYS 16 7.993 -0.322 3.986 142 H ARG 17 HN ARG 17 8.078 -1.336 0.720 143 HA ARG 17 HA ARG 17 9.204 -3.912 1.555 144 HB2 ARG 17 2HB ARG 17 7.815 -4.045 -0.535 145 HB3 ARG 17 1HB ARG 17 8.901 -2.882 -1.281 146 HG2 ARG 17 2HG ARG 17 10.759 -4.442 -0.999 147 HG3 ARG 17 1HG ARG 17 9.658 -5.615 -0.279 148 HD2 ARG 17 2HD ARG 17 10.033 -6.180 -2.573 149 HD3 ARG 17 1HD ARG 17 8.369 -5.627 -2.392 150 HE ARG 17 HE ARG 17 9.442 -3.393 -3.175 151 HH11 ARG 17 1HH1 ARG 17 10.256 -6.618 -4.393 152 HH12 ARG 17 2HH1 ARG 17 10.668 -6.093 -5.950 153 HH21 ARG 17 1HH2 ARG 17 10.011 -2.662 -5.299 154 HH22 ARG 17 2HH2 ARG 17 10.557 -3.780 -6.476 155 H GLY 18 HN GLY 18 10.937 -3.148 2.596 156 HA2 GLY 18 2HA GLY 18 13.098 -2.370 2.791 157 HA3 GLY 18 1HA GLY 18 13.069 -1.979 1.071 Start of MODEL 6 1 H1 ARG 1 HN ARG 1 12.356 -0.558 0.207 2 HA ARG 1 HA ARG 1 12.538 1.145 2.634 3 HB2 ARG 1 2HB ARG 1 13.953 2.673 1.395 4 HB3 ARG 1 1HB ARG 1 14.668 1.069 1.284 5 HG2 ARG 1 2HG ARG 1 13.624 0.781 -0.922 6 HG3 ARG 1 1HG ARG 1 12.987 2.414 -0.816 7 HD2 ARG 1 2HD ARG 1 15.334 3.220 -0.648 8 HD3 ARG 1 1HD ARG 1 15.868 1.562 -0.960 9 HE ARG 1 HE ARG 1 14.065 2.942 -2.805 10 HH11 ARG 1 1HH1 ARG 1 17.173 1.233 -2.288 11 HH12 ARG 1 2HH1 ARG 1 17.572 1.258 -3.927 12 HH21 ARG 1 1HH2 ARG 1 14.669 2.892 -5.080 13 HH22 ARG 1 2HH2 ARG 1 16.157 2.221 -5.530 14 H TRP 2 HN TRP 2 10.626 0.129 0.184 15 HA TRP 2 HA TRP 2 9.686 2.759 -0.651 16 HB2 TRP 2 2HB TRP 2 10.558 1.324 -2.397 17 HB3 TRP 2 1HB TRP 2 9.453 0.047 -1.933 18 HD1 TRP 2 1HD TRP 2 8.320 3.707 -2.412 19 HE1 TRP 2 1HE TRP 2 6.694 3.780 -4.414 20 HE3 TRP 2 3HE TRP 2 8.791 -1.114 -4.011 21 HZ2 TRP 2 2HZ TRP 2 5.757 2.016 -6.418 22 HZ3 TRP 2 3HZ TRP 2 7.509 -1.837 -5.980 23 HH2 TRP 2 2HH TRP 2 6.024 -0.289 -7.154 24 H CYS 3 HN CYS 3 8.009 3.431 0.376 25 HA CYS 3 HA CYS 3 5.901 1.557 1.170 26 HB2 CYS 3 2HB CYS 3 6.535 4.336 2.181 27 HB3 CYS 3 1HB CYS 3 5.164 3.362 2.694 28 H PHE 4 HN PHE 4 4.216 1.570 -0.065 29 HA PHE 4 HA PHE 4 3.407 4.061 -1.335 30 HB2 PHE 4 2HB PHE 4 2.662 2.694 -3.322 31 HB3 PHE 4 1HB PHE 4 4.405 2.793 -3.118 32 HD1 PHE 4 1HD PHE 4 5.687 0.838 -2.496 33 HD2 PHE 4 2HD PHE 4 1.482 0.596 -3.023 34 HE1 PHE 4 1HE PHE 4 5.846 -1.597 -2.591 35 HE2 PHE 4 2HE PHE 4 1.637 -1.858 -3.111 36 HZ PHE 4 HZ PHE 4 3.822 -2.959 -2.893 37 H ARG 5 HN ARG 5 1.114 4.124 -1.805 38 HA ARG 5 HA ARG 5 -0.373 2.538 0.154 39 HB2 ARG 5 2HB ARG 5 -0.340 4.964 0.565 40 HB3 ARG 5 1HB ARG 5 -1.001 5.244 -1.038 41 HG2 ARG 5 2HG ARG 5 -3.039 4.036 -0.388 42 HG3 ARG 5 1HG ARG 5 -2.376 3.818 1.232 43 HD2 ARG 5 2HD ARG 5 -3.910 5.702 1.190 44 HD3 ARG 5 1HD ARG 5 -2.270 6.257 1.503 45 HE ARG 5 HE ARG 5 -2.562 6.473 -1.197 46 HH11 ARG 5 1HH1 ARG 5 -4.387 7.771 1.555 47 HH12 ARG 5 2HH1 ARG 5 -4.882 9.174 0.737 48 HH21 ARG 5 1HH2 ARG 5 -3.210 8.359 -2.287 49 HH22 ARG 5 2HH2 ARG 5 -4.201 9.521 -1.517 50 H VAL 6 HN VAL 6 -1.674 1.080 -0.676 51 HA VAL 6 HA VAL 6 -2.556 1.397 -3.464 52 HB VAL 6 HB VAL 6 -2.621 -1.108 -1.741 53 HG11 VAL 6 1HG1 VAL 6 -3.100 -2.300 -3.829 54 HG12 VAL 6 2HG1 VAL 6 -3.145 -0.765 -4.692 55 HG13 VAL 6 3HG1 VAL 6 -4.352 -1.114 -3.453 56 HG21 VAL 6 1HG2 VAL 6 -0.720 -0.370 -3.959 57 HG22 VAL 6 2HG2 VAL 6 -0.796 -1.936 -3.151 58 HG23 VAL 6 3HG2 VAL 6 -0.330 -0.498 -2.244 59 H CYS 7 HN CYS 7 -4.678 1.695 -3.841 60 HA CYS 7 HA CYS 7 -6.485 1.415 -1.551 61 HB2 CYS 7 2HB CYS 7 -6.578 3.496 -3.742 62 HB3 CYS 7 1HB CYS 7 -7.814 3.246 -2.511 63 H TYR 8 HN TYR 8 -7.852 -0.155 -1.832 64 HA TYR 8 HA TYR 8 -9.004 -0.471 -4.481 65 HB2 TYR 8 2HB TYR 8 -8.770 -2.870 -4.473 66 HB3 TYR 8 1HB TYR 8 -7.192 -2.201 -4.076 67 HD1 TYR 8 1HD TYR 8 -6.575 -2.115 -1.565 68 HD2 TYR 8 2HD TYR 8 -9.720 -4.494 -3.116 69 HE1 TYR 8 1HE TYR 8 -6.501 -3.529 0.456 70 HE2 TYR 8 2HE TYR 8 -9.664 -5.908 -1.116 71 HH TYR 8 HH TYR 8 -8.049 -6.514 0.659 72 H ARG 9 HN ARG 9 -11.158 -0.427 -4.353 73 HA ARG 9 HA ARG 9 -13.310 -0.677 -3.609 74 HB2 ARG 9 2HB ARG 9 -12.584 -2.989 -3.288 75 HB3 ARG 9 1HB ARG 9 -11.934 -2.594 -1.718 76 HG2 ARG 9 2HG ARG 9 -14.181 -2.248 -0.874 77 HG3 ARG 9 1HG ARG 9 -14.853 -2.624 -2.470 78 HD2 ARG 9 2HD ARG 9 -13.867 -4.805 -2.406 79 HD3 ARG 9 1HD ARG 9 -13.074 -4.450 -0.879 80 HE ARG 9 HE ARG 9 -15.712 -4.113 -0.354 81 HH11 ARG 9 1HH1 ARG 9 -13.840 -6.734 -1.826 82 HH12 ARG 9 2HH1 ARG 9 -14.734 -7.979 -1.094 83 HH21 ARG 9 1HH2 ARG 9 -16.976 -5.830 0.633 84 HH22 ARG 9 2HH2 ARG 9 -16.581 -7.456 0.338 85 H GLY 10 HN GLY 10 -11.236 1.152 -2.221 86 HA2 GLY 10 2HA GLY 10 -11.857 3.036 -0.875 87 HA3 GLY 10 1HA GLY 10 -13.039 2.013 -0.069 88 H ILE 11 HN ILE 11 -10.378 0.152 -0.324 89 HA ILE 11 HA ILE 11 -9.533 0.893 2.370 90 HB ILE 11 HB ILE 11 -9.140 -1.725 0.875 91 HG12 ILE 11 2HG1 ILE 11 -11.458 -1.416 1.581 92 HG13 ILE 11 1HG1 ILE 11 -10.693 -2.653 2.570 93 HG21 ILE 11 1HG2 ILE 11 -8.256 -2.616 2.990 94 HG22 ILE 11 2HG2 ILE 11 -8.371 -1.011 3.709 95 HG23 ILE 11 3HG2 ILE 11 -7.260 -1.298 2.370 96 HD11 ILE 11 1HD1 ILE 11 -11.192 0.212 3.374 97 HD12 ILE 11 2HD1 ILE 11 -10.388 -0.998 4.363 98 HD13 ILE 11 3HD1 ILE 11 -12.090 -1.204 3.931 99 H CYS 12 HN CYS 12 -7.898 2.140 2.398 100 HA CYS 12 HA CYS 12 -5.794 1.860 0.402 101 HB2 CYS 12 2HB CYS 12 -6.556 4.077 2.273 102 HB3 CYS 12 1HB CYS 12 -5.108 4.089 1.251 103 H TYR 13 HN TYR 13 -4.066 0.820 1.046 104 HA TYR 13 HA TYR 13 -3.366 0.972 3.881 105 HB2 TYR 13 2HB TYR 13 -2.492 -1.337 3.786 106 HB3 TYR 13 1HB TYR 13 -4.221 -1.269 3.493 107 HD1 TYR 13 1HD TYR 13 -0.937 -2.223 2.102 108 HD2 TYR 13 2HD TYR 13 -5.085 -1.672 1.195 109 HE1 TYR 13 1HE TYR 13 -0.676 -3.524 0.081 110 HE2 TYR 13 2HE TYR 13 -4.798 -2.993 -0.830 111 HH TYR 13 HH TYR 13 -2.000 -4.848 -1.391 112 H ARG 14 HN ARG 14 -1.263 1.161 4.395 113 HA ARG 14 HA ARG 14 0.467 2.013 2.236 114 HB2 ARG 14 2HB ARG 14 0.368 3.501 4.123 115 HB3 ARG 14 1HB ARG 14 0.682 2.179 5.238 116 HG2 ARG 14 2HG ARG 14 2.925 1.924 4.316 117 HG3 ARG 14 1HG ARG 14 2.614 3.246 3.192 118 HD2 ARG 14 2HD ARG 14 2.368 4.790 4.981 119 HD3 ARG 14 1HD ARG 14 2.411 3.463 6.153 120 HE ARG 14 HE ARG 14 4.731 3.084 5.296 121 HH11 ARG 14 1HH1 ARG 14 3.336 6.348 5.251 122 HH12 ARG 14 2HH1 ARG 14 4.806 7.139 5.532 123 HH21 ARG 14 1HH2 ARG 14 6.751 4.167 5.688 124 HH22 ARG 14 2HH2 ARG 14 6.824 5.860 5.782 125 H LYS 15 HN LYS 15 1.741 0.634 1.408 126 HA LYS 15 HA LYS 15 2.474 -1.737 2.952 127 HB2 LYS 15 2HB LYS 15 1.026 -2.096 0.931 128 HB3 LYS 15 1HB LYS 15 2.337 -1.469 -0.048 129 HG2 LYS 15 2HG LYS 15 2.288 -3.889 -0.091 130 HG3 LYS 15 1HG LYS 15 3.770 -3.297 0.656 131 HD2 LYS 15 2HD LYS 15 2.787 -5.231 1.847 132 HD3 LYS 15 1HD LYS 15 2.874 -3.808 2.893 133 HE2 LYS 15 2HE LYS 15 0.505 -3.454 2.503 134 HE3 LYS 15 1HE LYS 15 0.461 -4.829 1.394 135 HZ1 LYS 15 1HZ LYS 15 -0.368 -5.434 3.544 136 HZ2 LYS 15 2HZ LYS 15 1.011 -4.919 4.323 137 HZ3 LYS 15 3HZ LYS 15 1.073 -6.253 3.290 138 H CYS 16 HN CYS 16 4.529 -1.795 3.519 139 HA CYS 16 HA CYS 16 6.458 -0.234 1.975 140 HB2 CYS 16 2HB CYS 16 6.515 -1.061 4.880 141 HB3 CYS 16 1HB CYS 16 7.811 -0.215 4.045 142 H ARG 17 HN ARG 17 7.770 -1.332 0.799 143 HA ARG 17 HA ARG 17 8.709 -3.933 1.753 144 HB2 ARG 17 2HB ARG 17 8.898 -4.655 -0.643 145 HB3 ARG 17 1HB ARG 17 7.244 -4.444 -0.103 146 HG2 ARG 17 2HG ARG 17 7.058 -2.375 -1.262 147 HG3 ARG 17 1HG ARG 17 8.776 -2.371 -1.651 148 HD2 ARG 17 2HD ARG 17 7.468 -3.040 -3.589 149 HD3 ARG 17 1HD ARG 17 8.482 -4.362 -3.033 150 HE ARG 17 HE ARG 17 5.896 -4.568 -1.899 151 HH11 ARG 17 1HH1 ARG 17 7.637 -5.061 -4.934 152 HH12 ARG 17 2HH1 ARG 17 6.539 -6.198 -5.558 153 HH21 ARG 17 1HH2 ARG 17 4.370 -6.101 -2.767 154 HH22 ARG 17 2HH2 ARG 17 4.639 -6.806 -4.303 155 H GLY 18 HN GLY 18 10.766 -3.853 2.168 156 HA2 GLY 18 2HA GLY 18 13.003 -3.373 1.990 157 HA3 GLY 18 1HA GLY 18 12.682 -2.676 0.406 Start of MODEL 7 1 H1 ARG 1 HN ARG 1 12.821 0.039 1.167 2 HA ARG 1 HA ARG 1 11.362 1.178 3.421 3 HB2 ARG 1 2HB ARG 1 12.729 3.177 3.105 4 HB3 ARG 1 1HB ARG 1 13.724 1.745 3.306 5 HG2 ARG 1 2HG ARG 1 14.130 1.683 0.897 6 HG3 ARG 1 1HG ARG 1 13.107 3.108 0.691 7 HD2 ARG 1 2HD ARG 1 14.597 4.408 2.090 8 HD3 ARG 1 1HD ARG 1 15.605 2.991 2.367 9 HE ARG 1 HE ARG 1 15.328 3.559 -0.391 10 HH11 ARG 1 1HH1 ARG 1 16.967 4.690 2.533 11 HH12 ARG 1 2HH1 ARG 1 18.333 5.297 1.705 12 HH21 ARG 1 1HH2 ARG 1 17.253 4.449 -1.520 13 HH22 ARG 1 2HH2 ARG 1 18.495 5.156 -0.588 14 H TRP 2 HN TRP 2 11.054 0.778 0.124 15 HA TRP 2 HA TRP 2 9.628 3.230 -0.462 16 HB2 TRP 2 2HB TRP 2 10.891 1.904 -2.188 17 HB3 TRP 2 1HB TRP 2 9.670 0.649 -2.021 18 HD1 TRP 2 1HD TRP 2 7.203 1.285 -2.794 19 HE1 TRP 2 1HE TRP 2 6.350 2.909 -4.658 20 HE3 TRP 2 3HE TRP 2 11.385 4.087 -3.338 21 HZ2 TRP 2 2HZ TRP 2 7.368 5.084 -6.113 22 HZ3 TRP 2 3HZ TRP 2 11.382 5.930 -4.977 23 HH2 TRP 2 2HH TRP 2 9.415 6.410 -6.330 24 H CYS 3 HN CYS 3 7.767 3.635 0.361 25 HA CYS 3 HA CYS 3 5.984 1.389 0.939 26 HB2 CYS 3 2HB CYS 3 6.055 4.128 2.173 27 HB3 CYS 3 1HB CYS 3 4.980 2.809 2.626 28 H PHE 4 HN PHE 4 4.319 1.195 -0.248 29 HA PHE 4 HA PHE 4 3.360 3.494 -1.761 30 HB2 PHE 4 2HB PHE 4 2.493 1.740 -3.395 31 HB3 PHE 4 1HB PHE 4 4.236 1.943 -3.333 32 HD1 PHE 4 1HD PHE 4 1.442 -0.299 -2.595 33 HD2 PHE 4 2HD PHE 4 5.657 0.191 -2.434 34 HE1 PHE 4 1HE PHE 4 1.710 -2.707 -2.206 35 HE2 PHE 4 2HE PHE 4 5.928 -2.217 -2.047 36 HZ PHE 4 HZ PHE 4 3.951 -3.668 -1.933 37 H ARG 5 HN ARG 5 1.128 3.705 -2.043 38 HA ARG 5 HA ARG 5 -0.386 2.636 0.222 39 HB2 ARG 5 2HB ARG 5 -0.204 5.103 -0.025 40 HB3 ARG 5 1HB ARG 5 -0.989 4.983 -1.590 41 HG2 ARG 5 2HG ARG 5 -2.991 4.054 -0.470 42 HG3 ARG 5 1HG ARG 5 -2.196 4.304 1.086 43 HD2 ARG 5 2HD ARG 5 -3.692 6.152 0.652 44 HD3 ARG 5 1HD ARG 5 -2.026 6.720 0.561 45 HE ARG 5 HE ARG 5 -2.577 6.135 -2.003 46 HH11 ARG 5 1HH1 ARG 5 -4.272 8.163 0.368 47 HH12 ARG 5 2HH1 ARG 5 -5.040 9.120 -0.804 48 HH21 ARG 5 1HH2 ARG 5 -3.622 7.507 -3.614 49 HH22 ARG 5 2HH2 ARG 5 -4.667 8.734 -3.077 50 H VAL 6 HN VAL 6 -1.474 0.868 -0.337 51 HA VAL 6 HA VAL 6 -2.483 0.611 -3.063 52 HB VAL 6 HB VAL 6 -2.648 -1.393 -0.795 53 HG11 VAL 6 1HG1 VAL 6 -4.352 -1.738 -2.481 54 HG12 VAL 6 2HG1 VAL 6 -3.142 -3.017 -2.571 55 HG13 VAL 6 3HG1 VAL 6 -3.130 -1.708 -3.754 56 HG21 VAL 6 1HG2 VAL 6 -0.324 -0.991 -1.379 57 HG22 VAL 6 2HG2 VAL 6 -0.689 -1.266 -3.082 58 HG23 VAL 6 3HG2 VAL 6 -0.829 -2.589 -1.924 59 H CYS 7 HN CYS 7 -4.477 1.168 -3.495 60 HA CYS 7 HA CYS 7 -6.414 1.237 -1.306 61 HB2 CYS 7 2HB CYS 7 -6.279 2.999 -3.763 62 HB3 CYS 7 1HB CYS 7 -7.547 3.038 -2.544 63 H TYR 8 HN TYR 8 -7.944 -0.208 -1.531 64 HA TYR 8 HA TYR 8 -8.872 -0.841 -4.211 65 HB2 TYR 8 2HB TYR 8 -8.726 -3.211 -3.913 66 HB3 TYR 8 1HB TYR 8 -7.177 -2.571 -3.393 67 HD1 TYR 8 1HD TYR 8 -9.875 -4.634 -2.577 68 HD2 TYR 8 2HD TYR 8 -6.903 -2.207 -0.810 69 HE1 TYR 8 1HE TYR 8 -10.189 -5.831 -0.473 70 HE2 TYR 8 2HE TYR 8 -7.189 -3.412 1.329 71 HH TYR 8 HH TYR 8 -8.907 -4.735 2.442 72 H ARG 9 HN ARG 9 -11.023 -0.758 -4.277 73 HA ARG 9 HA ARG 9 -13.204 -0.608 -3.692 74 HB2 ARG 9 2HB ARG 9 -12.756 -2.940 -2.855 75 HB3 ARG 9 1HB ARG 9 -12.373 -2.277 -1.282 76 HG2 ARG 9 2HG ARG 9 -14.637 -1.567 -0.981 77 HG3 ARG 9 1HG ARG 9 -15.056 -2.048 -2.625 78 HD2 ARG 9 2HD ARG 9 -15.804 -3.720 -1.013 79 HD3 ARG 9 1HD ARG 9 -14.561 -4.364 -2.081 80 HE ARG 9 HE ARG 9 -13.642 -3.333 0.465 81 HH11 ARG 9 1HH1 ARG 9 -14.737 -6.182 -1.326 82 HH12 ARG 9 2HH1 ARG 9 -13.954 -7.301 -0.310 83 HH21 ARG 9 1HH2 ARG 9 -12.554 -4.893 1.880 84 HH22 ARG 9 2HH2 ARG 9 -12.731 -6.548 1.569 85 H GLY 10 HN GLY 10 -11.123 1.251 -2.728 86 HA2 GLY 10 2HA GLY 10 -11.441 3.395 -1.844 87 HA3 GLY 10 1HA GLY 10 -12.759 2.779 -0.859 88 H ILE 11 HN ILE 11 -10.610 0.485 -0.345 89 HA ILE 11 HA ILE 11 -9.766 1.703 2.170 90 HB ILE 11 HB ILE 11 -9.571 -1.168 1.221 91 HG12 ILE 11 2HG1 ILE 11 -11.897 -0.505 1.516 92 HG13 ILE 11 1HG1 ILE 11 -11.416 -1.600 2.807 93 HG21 ILE 11 1HG2 ILE 11 -9.093 -1.708 3.579 94 HG22 ILE 11 2HG2 ILE 11 -9.062 0.013 3.955 95 HG23 ILE 11 3HG2 ILE 11 -7.851 -0.673 2.870 96 HD11 ILE 11 1HD1 ILE 11 -12.799 0.214 3.660 97 HD12 ILE 11 2HD1 ILE 11 -11.653 1.397 3.018 98 HD13 ILE 11 3HD1 ILE 11 -11.159 0.315 4.314 99 H CYS 12 HN CYS 12 -7.927 2.613 2.348 100 HA CYS 12 HA CYS 12 -5.763 1.874 0.538 101 HB2 CYS 12 2HB CYS 12 -6.340 4.363 2.106 102 HB3 CYS 12 1HB CYS 12 -4.864 4.117 1.164 103 H TYR 13 HN TYR 13 -3.958 1.076 1.353 104 HA TYR 13 HA TYR 13 -3.352 1.461 4.156 105 HB2 TYR 13 2HB TYR 13 -2.774 -0.935 4.444 106 HB3 TYR 13 1HB TYR 13 -4.483 -0.687 4.145 107 HD1 TYR 13 1HD TYR 13 -5.501 -1.472 2.029 108 HD2 TYR 13 2HD TYR 13 -1.382 -2.068 2.867 109 HE1 TYR 13 1HE TYR 13 -5.382 -3.184 0.263 110 HE2 TYR 13 2HE TYR 13 -1.261 -3.759 1.098 111 HH TYR 13 HH TYR 13 -3.754 -4.275 -1.164 112 H ARG 14 HN ARG 14 -1.025 0.680 4.591 113 HA ARG 14 HA ARG 14 0.568 1.609 2.285 114 HB2 ARG 14 2HB ARG 14 0.341 3.157 4.243 115 HB3 ARG 14 1HB ARG 14 1.176 1.962 5.217 116 HG2 ARG 14 2HG ARG 14 2.771 3.603 4.609 117 HG3 ARG 14 1HG ARG 14 3.114 2.171 3.638 118 HD2 ARG 14 2HD ARG 14 3.252 4.213 2.289 119 HD3 ARG 14 1HD ARG 14 1.944 3.175 1.732 120 HE ARG 14 HE ARG 14 0.768 4.868 3.510 121 HH11 ARG 14 1HH1 ARG 14 2.681 5.414 0.546 122 HH12 ARG 14 2HH1 ARG 14 1.874 6.836 0.135 123 HH21 ARG 14 1HH2 ARG 14 -0.353 6.834 2.911 124 HH22 ARG 14 2HH2 ARG 14 0.107 7.680 1.511 125 H LYS 15 HN LYS 15 1.730 -0.050 1.472 126 HA LYS 15 HA LYS 15 2.992 -1.909 3.368 127 HB2 LYS 15 2HB LYS 15 2.352 -2.337 0.439 128 HB3 LYS 15 1HB LYS 15 3.292 -3.447 1.420 129 HG2 LYS 15 2HG LYS 15 0.403 -2.714 1.812 130 HG3 LYS 15 1HG LYS 15 1.022 -4.238 1.171 131 HD2 LYS 15 2HD LYS 15 2.179 -4.604 3.365 132 HD3 LYS 15 1HD LYS 15 1.386 -3.151 3.967 133 HE2 LYS 15 2HE LYS 15 0.131 -5.079 4.682 134 HE3 LYS 15 1HE LYS 15 -0.804 -4.185 3.491 135 HZ1 LYS 15 1HZ LYS 15 0.769 -6.645 2.965 136 HZ2 LYS 15 2HZ LYS 15 -0.124 -5.818 1.807 137 HZ3 LYS 15 3HZ LYS 15 -0.899 -6.566 3.095 138 H CYS 16 HN CYS 16 5.205 -2.331 3.113 139 HA CYS 16 HA CYS 16 6.574 -0.405 1.372 140 HB2 CYS 16 2HB CYS 16 7.487 -1.338 4.089 141 HB3 CYS 16 1HB CYS 16 8.270 -0.145 3.065 142 H ARG 17 HN ARG 17 7.709 -1.367 -0.119 143 HA ARG 17 HA ARG 17 8.753 -4.057 0.362 144 HB2 ARG 17 2HB ARG 17 7.575 -3.609 -1.824 145 HB3 ARG 17 1HB ARG 17 8.778 -2.380 -2.185 146 HG2 ARG 17 2HG ARG 17 10.525 -4.109 -2.191 147 HG3 ARG 17 1HG ARG 17 9.300 -5.329 -1.842 148 HD2 ARG 17 2HD ARG 17 9.832 -5.310 -4.221 149 HD3 ARG 17 1HD ARG 17 8.169 -4.787 -3.952 150 HE ARG 17 HE ARG 17 9.869 -2.561 -4.001 151 HH11 ARG 17 1HH1 ARG 17 8.419 -4.889 -6.280 152 HH12 ARG 17 2HH1 ARG 17 8.618 -3.840 -7.620 153 HH21 ARG 17 1HH2 ARG 17 10.128 -1.193 -5.856 154 HH22 ARG 17 2HH2 ARG 17 9.588 -1.734 -7.385 155 H GLY 18 HN GLY 18 10.414 -3.685 1.700 156 HA2 GLY 18 2HA GLY 18 12.504 -2.947 2.333 157 HA3 GLY 18 1HA GLY 18 12.627 -2.078 0.796 Start of MODEL 8 1 H1 ARG 1 HN ARG 1 13.025 -0.398 0.714 2 HA ARG 1 HA ARG 1 12.653 1.932 2.456 3 HB2 ARG 1 2HB ARG 1 13.912 3.177 0.737 4 HB3 ARG 1 1HB ARG 1 14.803 1.775 1.313 5 HG2 ARG 1 2HG ARG 1 14.269 0.544 -0.668 6 HG3 ARG 1 1HG ARG 1 13.189 1.818 -1.230 7 HD2 ARG 1 2HD ARG 1 15.099 3.314 -1.470 8 HD3 ARG 1 1HD ARG 1 16.178 2.053 -0.860 9 HE ARG 1 HE ARG 1 15.188 0.739 -2.838 10 HH11 ARG 1 1HH1 ARG 1 16.109 4.149 -2.913 11 HH12 ARG 1 2HH1 ARG 1 16.340 4.206 -4.594 12 HH21 ARG 1 1HH2 ARG 1 15.556 0.791 -5.130 13 HH22 ARG 1 2HH2 ARG 1 16.047 2.236 -5.899 14 H TRP 2 HN TRP 2 10.910 0.249 0.160 15 HA TRP 2 HA TRP 2 9.726 2.700 -0.899 16 HB2 TRP 2 2HB TRP 2 10.673 1.166 -2.576 17 HB3 TRP 2 1HB TRP 2 9.582 -0.092 -2.026 18 HD1 TRP 2 1HD TRP 2 8.570 3.576 -2.707 19 HE1 TRP 2 1HE TRP 2 6.788 3.588 -4.564 20 HE3 TRP 2 3HE TRP 2 8.606 -1.384 -3.893 21 HZ2 TRP 2 2HZ TRP 2 5.567 1.744 -6.307 22 HZ3 TRP 2 3HZ TRP 2 7.101 -2.179 -5.673 23 HH2 TRP 2 2HH TRP 2 5.620 -0.648 -6.852 24 H CYS 3 HN CYS 3 7.939 3.318 -0.044 25 HA CYS 3 HA CYS 3 5.992 1.333 0.855 26 HB2 CYS 3 2HB CYS 3 6.535 4.133 1.841 27 HB3 CYS 3 1HB CYS 3 5.102 3.208 2.265 28 H PHE 4 HN PHE 4 4.121 1.325 -0.159 29 HA PHE 4 HA PHE 4 3.347 3.673 -1.690 30 HB2 PHE 4 2HB PHE 4 2.551 2.110 -3.522 31 HB3 PHE 4 1HB PHE 4 4.295 2.254 -3.369 32 HD1 PHE 4 1HD PHE 4 5.608 0.380 -2.448 33 HD2 PHE 4 2HD PHE 4 1.432 0.049 -3.128 34 HE1 PHE 4 1HE PHE 4 5.788 -2.062 -2.304 35 HE2 PHE 4 2HE PHE 4 1.604 -2.397 -2.981 36 HZ PHE 4 HZ PHE 4 3.784 -3.455 -2.570 37 H ARG 5 HN ARG 5 1.169 4.085 -1.718 38 HA ARG 5 HA ARG 5 -0.347 2.473 0.203 39 HB2 ARG 5 2HB ARG 5 -0.071 4.896 0.673 40 HB3 ARG 5 1HB ARG 5 -0.947 5.251 -0.810 41 HG2 ARG 5 2HG ARG 5 -2.898 4.046 0.090 42 HG3 ARG 5 1HG ARG 5 -2.016 3.796 1.597 43 HD2 ARG 5 2HD ARG 5 -3.500 5.664 1.828 44 HD3 ARG 5 1HD ARG 5 -1.836 6.246 1.854 45 HE ARG 5 HE ARG 5 -2.227 6.789 -0.573 46 HH11 ARG 5 1HH1 ARG 5 -4.888 6.805 1.782 47 HH12 ARG 5 2HH1 ARG 5 -5.833 7.909 0.923 48 HH21 ARG 5 1HH2 ARG 5 -3.501 8.361 -1.715 49 HH22 ARG 5 2HH2 ARG 5 -5.025 8.838 -1.104 50 H VAL 6 HN VAL 6 -1.643 1.052 -0.632 51 HA VAL 6 HA VAL 6 -2.718 1.498 -3.323 52 HB VAL 6 HB VAL 6 -2.677 -1.059 -1.692 53 HG11 VAL 6 1HG1 VAL 6 -3.276 -2.173 -3.799 54 HG12 VAL 6 2HG1 VAL 6 -3.400 -0.597 -4.582 55 HG13 VAL 6 3HG1 VAL 6 -4.510 -1.023 -3.281 56 HG21 VAL 6 1HG2 VAL 6 -0.913 -0.225 -3.989 57 HG22 VAL 6 2HG2 VAL 6 -0.936 -1.822 -3.238 58 HG23 VAL 6 3HG2 VAL 6 -0.429 -0.415 -2.301 59 H CYS 7 HN CYS 7 -4.783 1.992 -3.531 60 HA CYS 7 HA CYS 7 -6.588 1.430 -1.297 61 HB2 CYS 7 2HB CYS 7 -6.741 3.652 -3.345 62 HB3 CYS 7 1HB CYS 7 -7.931 3.335 -2.088 63 H TYR 8 HN TYR 8 -7.874 -0.160 -1.737 64 HA TYR 8 HA TYR 8 -9.012 -0.269 -4.418 65 HB2 TYR 8 2HB TYR 8 -8.758 -2.667 -4.583 66 HB3 TYR 8 1HB TYR 8 -7.202 -1.989 -4.127 67 HD1 TYR 8 1HD TYR 8 -9.704 -4.369 -3.339 68 HD2 TYR 8 2HD TYR 8 -6.533 -2.136 -1.662 69 HE1 TYR 8 1HE TYR 8 -9.598 -5.968 -1.470 70 HE2 TYR 8 2HE TYR 8 -6.401 -3.726 0.227 71 HH TYR 8 HH TYR 8 -7.982 -6.724 0.191 72 H ARG 9 HN ARG 9 -11.126 -0.146 -4.337 73 HA ARG 9 HA ARG 9 -13.300 -0.191 -3.603 74 HB2 ARG 9 2HB ARG 9 -12.274 -2.294 -1.682 75 HB3 ARG 9 1HB ARG 9 -13.967 -1.915 -1.934 76 HG2 ARG 9 2HG ARG 9 -12.093 -3.033 -4.008 77 HG3 ARG 9 1HG ARG 9 -13.282 -3.955 -3.084 78 HD2 ARG 9 2HD ARG 9 -15.060 -2.537 -4.035 79 HD3 ARG 9 1HD ARG 9 -13.840 -1.726 -5.020 80 HE ARG 9 HE ARG 9 -13.543 -4.394 -5.514 81 HH11 ARG 9 1HH1 ARG 9 -16.049 -1.957 -5.956 82 HH12 ARG 9 2HH1 ARG 9 -16.829 -2.769 -7.222 83 HH21 ARG 9 1HH2 ARG 9 -14.586 -5.527 -7.244 84 HH22 ARG 9 2HH2 ARG 9 -15.964 -4.867 -7.993 85 H GLY 10 HN GLY 10 -11.204 1.507 -2.371 86 HA2 GLY 10 2HA GLY 10 -11.516 3.288 -0.852 87 HA3 GLY 10 1HA GLY 10 -12.753 2.332 -0.048 88 H ILE 11 HN ILE 11 -10.560 0.084 -0.286 89 HA ILE 11 HA ILE 11 -9.582 0.586 2.364 90 HB ILE 11 HB ILE 11 -9.206 -1.809 0.540 91 HG12 ILE 11 2HG1 ILE 11 -11.494 -1.565 1.359 92 HG13 ILE 11 1HG1 ILE 11 -10.716 -2.939 2.138 93 HG21 ILE 11 1HG2 ILE 11 -8.275 -2.984 2.477 94 HG22 ILE 11 2HG2 ILE 11 -8.334 -1.485 3.408 95 HG23 ILE 11 3HG2 ILE 11 -7.276 -1.608 2.004 96 HD11 ILE 11 1HD1 ILE 11 -12.032 -1.699 3.747 97 HD12 ILE 11 2HD1 ILE 11 -11.175 -0.214 3.346 98 HD13 ILE 11 3HD1 ILE 11 -10.317 -1.536 4.133 99 H CYS 12 HN CYS 12 -8.068 1.954 2.491 100 HA CYS 12 HA CYS 12 -5.838 1.911 0.612 101 HB2 CYS 12 2HB CYS 12 -6.726 3.918 2.661 102 HB3 CYS 12 1HB CYS 12 -5.239 4.058 1.713 103 H TYR 13 HN TYR 13 -4.137 0.839 1.190 104 HA TYR 13 HA TYR 13 -3.322 0.863 3.997 105 HB2 TYR 13 2HB TYR 13 -2.614 -1.482 3.871 106 HB3 TYR 13 1HB TYR 13 -4.329 -1.369 3.515 107 HD1 TYR 13 1HD TYR 13 -5.079 -1.592 1.105 108 HD2 TYR 13 2HD TYR 13 -1.078 -2.438 2.303 109 HE1 TYR 13 1HE TYR 13 -4.725 -2.848 -0.958 110 HE2 TYR 13 2HE TYR 13 -0.721 -3.688 0.232 111 HH TYR 13 HH TYR 13 -2.781 -3.536 -2.407 112 H ARG 14 HN ARG 14 -1.125 1.054 4.271 113 HA ARG 14 HA ARG 14 0.327 1.604 1.815 114 HB2 ARG 14 2HB ARG 14 0.371 3.437 3.384 115 HB3 ARG 14 1HB ARG 14 0.931 2.379 4.668 116 HG2 ARG 14 2HG ARG 14 3.040 2.050 3.527 117 HG3 ARG 14 1HG ARG 14 2.477 3.015 2.161 118 HD2 ARG 14 2HD ARG 14 3.932 4.287 3.678 119 HD3 ARG 14 1HD ARG 14 2.308 4.959 3.554 120 HE ARG 14 HE ARG 14 2.809 3.152 5.762 121 HH11 ARG 14 1HH1 ARG 14 2.596 6.503 4.646 122 HH12 ARG 14 2HH1 ARG 14 2.319 7.156 6.198 123 HH21 ARG 14 1HH2 ARG 14 2.418 4.061 7.911 124 HH22 ARG 14 2HH2 ARG 14 2.214 5.736 8.081 125 H LYS 15 HN LYS 15 1.472 0.115 1.055 126 HA LYS 15 HA LYS 15 2.341 -2.070 2.784 127 HB2 LYS 15 2HB LYS 15 0.931 -2.503 0.718 128 HB3 LYS 15 1HB LYS 15 2.285 -1.931 -0.237 129 HG2 LYS 15 2HG LYS 15 2.316 -4.313 -0.234 130 HG3 LYS 15 1HG LYS 15 3.667 -3.738 0.754 131 HD2 LYS 15 2HD LYS 15 2.289 -4.107 2.777 132 HD3 LYS 15 1HD LYS 15 1.011 -4.756 1.758 133 HE2 LYS 15 2HE LYS 15 2.299 -6.555 2.751 134 HE3 LYS 15 1HE LYS 15 2.522 -6.532 1.004 135 HZ1 LYS 15 1HZ LYS 15 4.656 -5.445 1.316 136 HZ2 LYS 15 2HZ LYS 15 4.609 -6.878 2.172 137 HZ3 LYS 15 3HZ LYS 15 4.447 -5.428 2.993 138 H CYS 16 HN CYS 16 4.509 -2.356 3.101 139 HA CYS 16 HA CYS 16 6.278 -0.597 1.567 140 HB2 CYS 16 2HB CYS 16 6.431 -1.254 4.503 141 HB3 CYS 16 1HB CYS 16 7.660 -0.378 3.605 142 H ARG 17 HN ARG 17 8.021 -1.480 0.756 143 HA ARG 17 HA ARG 17 8.973 -3.959 1.889 144 HB2 ARG 17 2HB ARG 17 9.650 -4.753 -0.390 145 HB3 ARG 17 1HB ARG 17 7.918 -4.687 -0.166 146 HG2 ARG 17 2HG ARG 17 7.758 -2.708 -1.527 147 HG3 ARG 17 1HG ARG 17 9.514 -2.566 -1.595 148 HD2 ARG 17 2HD ARG 17 7.890 -4.849 -2.724 149 HD3 ARG 17 1HD ARG 17 8.603 -3.539 -3.667 150 HE ARG 17 HE ARG 17 10.500 -4.936 -2.044 151 HH11 ARG 17 1HH1 ARG 17 8.871 -5.019 -5.206 152 HH12 ARG 17 2HH1 ARG 17 10.068 -5.949 -5.956 153 HH21 ARG 17 1HH2 ARG 17 12.148 -6.202 -3.065 154 HH22 ARG 17 2HH2 ARG 17 12.013 -6.634 -4.700 155 H GLY 18 HN GLY 18 10.614 -3.213 2.944 156 HA2 GLY 18 2HA GLY 18 12.710 -2.430 3.329 157 HA3 GLY 18 1HA GLY 18 12.933 -2.323 1.586 Start of MODEL 9 1 H1 ARG 1 HN ARG 1 12.341 -0.336 0.545 2 HA ARG 1 HA ARG 1 12.229 1.533 2.824 3 HB2 ARG 1 2HB ARG 1 13.736 3.074 1.762 4 HB3 ARG 1 1HB ARG 1 14.530 1.507 1.768 5 HG2 ARG 1 2HG ARG 1 13.888 1.186 -0.579 6 HG3 ARG 1 1HG ARG 1 13.131 2.778 -0.578 7 HD2 ARG 1 2HD ARG 1 15.362 3.716 0.059 8 HD3 ARG 1 1HD ARG 1 16.051 2.119 -0.229 9 HE ARG 1 HE ARG 1 14.662 3.740 -2.237 10 HH11 ARG 1 1HH1 ARG 1 17.142 1.315 -1.475 11 HH12 ARG 1 2HH1 ARG 1 17.874 1.383 -3.007 12 HH21 ARG 1 1HH2 ARG 1 15.662 3.792 -4.366 13 HH22 ARG 1 2HH2 ARG 1 17.007 2.795 -4.683 14 H TRP 2 HN TRP 2 10.793 0.265 0.153 15 HA TRP 2 HA TRP 2 9.744 2.755 -0.875 16 HB2 TRP 2 2HB TRP 2 10.704 1.220 -2.496 17 HB3 TRP 2 1HB TRP 2 9.648 -0.064 -1.934 18 HD1 TRP 2 1HD TRP 2 8.601 3.539 -2.903 19 HE1 TRP 2 1HE TRP 2 6.885 3.364 -4.828 20 HE3 TRP 2 3HE TRP 2 8.728 -1.506 -3.639 21 HZ2 TRP 2 2HZ TRP 2 5.762 1.355 -6.439 22 HZ3 TRP 2 3HZ TRP 2 7.314 -2.479 -5.395 23 HH2 TRP 2 2HH TRP 2 5.864 -1.077 -6.765 24 H CYS 3 HN CYS 3 7.969 3.448 -0.002 25 HA CYS 3 HA CYS 3 5.991 1.527 0.961 26 HB2 CYS 3 2HB CYS 3 6.475 4.398 1.792 27 HB3 CYS 3 1HB CYS 3 5.146 3.395 2.365 28 H PHE 4 HN PHE 4 4.277 1.344 -0.201 29 HA PHE 4 HA PHE 4 3.373 3.650 -1.717 30 HB2 PHE 4 2HB PHE 4 2.666 2.087 -3.555 31 HB3 PHE 4 1HB PHE 4 4.401 2.257 -3.372 32 HD1 PHE 4 1HD PHE 4 1.605 -0.009 -3.377 33 HD2 PHE 4 2HD PHE 4 5.698 0.390 -2.307 34 HE1 PHE 4 1HE PHE 4 1.828 -2.456 -3.311 35 HE2 PHE 4 2HE PHE 4 5.927 -2.046 -2.236 36 HZ PHE 4 HZ PHE 4 3.997 -3.477 -2.740 37 H ARG 5 HN ARG 5 1.219 3.951 -1.835 38 HA ARG 5 HA ARG 5 -0.317 2.367 0.103 39 HB2 ARG 5 2HB ARG 5 -0.120 4.790 0.552 40 HB3 ARG 5 1HB ARG 5 -0.854 5.128 -1.006 41 HG2 ARG 5 2HG ARG 5 -2.901 3.938 -0.233 42 HG3 ARG 5 1HG ARG 5 -2.156 3.790 1.359 43 HD2 ARG 5 2HD ARG 5 -3.651 5.705 1.314 44 HD3 ARG 5 1HD ARG 5 -1.981 6.245 1.478 45 HE ARG 5 HE ARG 5 -2.406 6.296 -1.195 46 HH11 ARG 5 1HH1 ARG 5 -4.034 7.852 1.556 47 HH12 ARG 5 2HH1 ARG 5 -4.645 9.133 0.624 48 HH21 ARG 5 1HH2 ARG 5 -3.220 8.093 -2.436 49 HH22 ARG 5 2HH2 ARG 5 -4.180 9.266 -1.674 50 H VAL 6 HN VAL 6 -1.653 0.937 -0.746 51 HA VAL 6 HA VAL 6 -2.679 1.405 -3.457 52 HB VAL 6 HB VAL 6 -2.599 -1.195 -1.884 53 HG11 VAL 6 1HG1 VAL 6 -4.411 -1.132 -3.509 54 HG12 VAL 6 2HG1 VAL 6 -3.159 -2.267 -4.011 55 HG13 VAL 6 3HG1 VAL 6 -3.273 -0.684 -4.780 56 HG21 VAL 6 1HG2 VAL 6 -0.817 -1.881 -3.432 57 HG22 VAL 6 2HG2 VAL 6 -0.350 -0.492 -2.451 58 HG23 VAL 6 3HG2 VAL 6 -0.822 -0.262 -4.135 59 H CYS 7 HN CYS 7 -4.815 1.757 -3.692 60 HA CYS 7 HA CYS 7 -6.529 1.256 -1.371 61 HB2 CYS 7 2HB CYS 7 -6.767 3.468 -3.424 62 HB3 CYS 7 1HB CYS 7 -7.866 3.186 -2.081 63 H TYR 8 HN TYR 8 -8.121 -0.099 -1.703 64 HA TYR 8 HA TYR 8 -9.274 -0.313 -4.368 65 HB2 TYR 8 2HB TYR 8 -9.212 -2.714 -4.427 66 HB3 TYR 8 1HB TYR 8 -7.591 -2.182 -4.019 67 HD1 TYR 8 1HD TYR 8 -7.075 -2.137 -1.432 68 HD2 TYR 8 2HD TYR 8 -10.167 -4.409 -3.215 69 HE1 TYR 8 1HE TYR 8 -7.068 -3.657 0.511 70 HE2 TYR 8 2HE TYR 8 -10.187 -5.935 -1.287 71 HH TYR 8 HH TYR 8 -8.650 -5.240 1.619 72 H ARG 9 HN ARG 9 -11.417 -0.271 -4.285 73 HA ARG 9 HA ARG 9 -13.556 -0.110 -3.513 74 HB2 ARG 9 2HB ARG 9 -12.662 -2.018 -1.346 75 HB3 ARG 9 1HB ARG 9 -14.317 -1.691 -1.829 76 HG2 ARG 9 2HG ARG 9 -13.844 -2.686 -4.030 77 HG3 ARG 9 1HG ARG 9 -12.204 -3.052 -3.486 78 HD2 ARG 9 2HD ARG 9 -14.770 -4.076 -2.304 79 HD3 ARG 9 1HD ARG 9 -13.595 -5.012 -3.229 80 HE ARG 9 HE ARG 9 -12.057 -4.251 -1.279 81 HH11 ARG 9 1HH1 ARG 9 -15.433 -5.312 -1.059 82 HH12 ARG 9 2HH1 ARG 9 -15.309 -5.938 0.510 83 HH21 ARG 9 1HH2 ARG 9 -11.866 -5.128 0.965 84 HH22 ARG 9 2HH2 ARG 9 -13.228 -5.830 1.673 85 H GLY 10 HN GLY 10 -11.304 1.527 -2.288 86 HA2 GLY 10 2HA GLY 10 -11.603 3.457 -1.003 87 HA3 GLY 10 1HA GLY 10 -12.905 2.659 -0.127 88 H ILE 11 HN ILE 11 -10.639 0.360 -0.263 89 HA ILE 11 HA ILE 11 -9.669 1.019 2.403 90 HB ILE 11 HB ILE 11 -9.502 -1.584 0.852 91 HG12 ILE 11 2HG1 ILE 11 -11.803 -1.064 1.433 92 HG13 ILE 11 1HG1 ILE 11 -11.228 -2.381 2.448 93 HG21 ILE 11 1HG2 ILE 11 -7.671 -1.394 2.456 94 HG22 ILE 11 2HG2 ILE 11 -8.832 -2.611 2.987 95 HG23 ILE 11 3HG2 ILE 11 -8.819 -1.018 3.743 96 HD11 ILE 11 1HD1 ILE 11 -10.882 -0.787 4.284 97 HD12 ILE 11 2HD1 ILE 11 -12.559 -0.812 3.734 98 HD13 ILE 11 3HD1 ILE 11 -11.493 0.511 3.261 99 H CYS 12 HN CYS 12 -7.875 1.987 2.569 100 HA CYS 12 HA CYS 12 -5.824 1.720 0.508 101 HB2 CYS 12 2HB CYS 12 -6.389 3.832 2.556 102 HB3 CYS 12 1HB CYS 12 -4.953 3.837 1.524 103 H TYR 13 HN TYR 13 -4.133 0.548 1.018 104 HA TYR 13 HA TYR 13 -3.321 0.464 3.810 105 HB2 TYR 13 2HB TYR 13 -2.648 -1.912 3.528 106 HB3 TYR 13 1HB TYR 13 -4.378 -1.677 3.357 107 HD1 TYR 13 1HD TYR 13 -1.339 -2.795 1.772 108 HD2 TYR 13 2HD TYR 13 -5.411 -1.838 1.069 109 HE1 TYR 13 1HE TYR 13 -1.252 -4.029 -0.342 110 HE2 TYR 13 2HE TYR 13 -5.334 -3.076 -1.053 111 HH TYR 13 HH TYR 13 -2.910 -5.203 -1.811 112 H ARG 14 HN ARG 14 -1.193 0.653 4.185 113 HA ARG 14 HA ARG 14 0.401 1.482 1.903 114 HB2 ARG 14 2HB ARG 14 0.225 2.896 3.963 115 HB3 ARG 14 1HB ARG 14 1.079 1.636 4.842 116 HG2 ARG 14 2HG ARG 14 2.987 1.907 3.303 117 HG3 ARG 14 1HG ARG 14 2.122 3.225 2.513 118 HD2 ARG 14 2HD ARG 14 3.628 4.234 4.044 119 HD3 ARG 14 1HD ARG 14 2.018 4.344 4.757 120 HE ARG 14 HE ARG 14 3.088 2.030 5.737 121 HH11 ARG 14 1HH1 ARG 14 3.882 5.462 5.899 122 HH12 ARG 14 2HH1 ARG 14 4.845 5.347 7.298 123 HH21 ARG 14 1HH2 ARG 14 4.434 1.839 7.681 124 HH22 ARG 14 2HH2 ARG 14 5.185 3.231 8.313 125 H LYS 15 HN LYS 15 1.868 0.229 1.076 126 HA LYS 15 HA LYS 15 2.793 -2.082 2.621 127 HB2 LYS 15 2HB LYS 15 2.722 -1.661 -0.369 128 HB3 LYS 15 1HB LYS 15 3.423 -3.058 0.422 129 HG2 LYS 15 2HG LYS 15 0.523 -2.246 0.502 130 HG3 LYS 15 1HG LYS 15 1.212 -3.522 -0.497 131 HD2 LYS 15 2HD LYS 15 1.196 -3.467 2.529 132 HD3 LYS 15 1HD LYS 15 0.102 -4.401 1.522 133 HE2 LYS 15 2HE LYS 15 2.028 -5.632 0.594 134 HE3 LYS 15 1HE LYS 15 3.097 -4.714 1.651 135 HZ1 LYS 15 1HZ LYS 15 1.959 -5.666 3.568 136 HZ2 LYS 15 2HZ LYS 15 2.587 -6.875 2.599 137 HZ3 LYS 15 3HZ LYS 15 0.943 -6.549 2.561 138 H CYS 16 HN CYS 16 4.634 -1.598 3.516 139 HA CYS 16 HA CYS 16 6.600 -0.077 1.994 140 HB2 CYS 16 2HB CYS 16 6.452 -0.767 4.931 141 HB3 CYS 16 1HB CYS 16 7.838 0.006 4.169 142 H ARG 17 HN ARG 17 8.003 -1.156 0.964 143 HA ARG 17 HA ARG 17 8.843 -3.757 1.995 144 HB2 ARG 17 2HB ARG 17 7.336 -3.902 0.004 145 HB3 ARG 17 1HB ARG 17 8.507 -2.955 -0.898 146 HG2 ARG 17 2HG ARG 17 10.152 -4.720 -0.662 147 HG3 ARG 17 1HG ARG 17 9.024 -5.647 0.328 148 HD2 ARG 17 2HD ARG 17 8.577 -4.824 -2.532 149 HD3 ARG 17 1HD ARG 17 9.047 -6.439 -1.993 150 HE ARG 17 HE ARG 17 6.771 -5.870 -0.600 151 HH11 ARG 17 1HH1 ARG 17 7.547 -5.951 -4.032 152 HH12 ARG 17 2HH1 ARG 17 6.010 -6.454 -4.537 153 HH21 ARG 17 1HH2 ARG 17 4.665 -6.574 -1.253 154 HH22 ARG 17 2HH2 ARG 17 4.309 -6.845 -2.900 155 H GLY 18 HN GLY 18 10.841 -3.448 2.679 156 HA2 GLY 18 2HA GLY 18 13.092 -2.984 2.609 157 HA3 GLY 18 1HA GLY 18 12.897 -2.441 0.945 Start of MODEL 10 1 H1 ARG 1 HN ARG 1 12.921 -0.325 1.088 2 HA ARG 1 HA ARG 1 12.167 1.812 2.923 3 HB2 ARG 1 2HB ARG 1 14.428 1.874 2.047 4 HB3 ARG 1 1HB ARG 1 13.835 1.772 0.398 5 HG2 ARG 1 2HG ARG 1 12.764 3.983 0.693 6 HG3 ARG 1 1HG ARG 1 13.477 4.080 2.300 7 HD2 ARG 1 2HD ARG 1 15.692 4.048 1.389 8 HD3 ARG 1 1HD ARG 1 15.075 3.732 -0.234 9 HE ARG 1 HE ARG 1 13.858 6.029 0.496 10 HH11 ARG 1 1HH1 ARG 1 17.274 5.081 0.347 11 HH12 ARG 1 2HH1 ARG 1 17.842 6.630 -0.049 12 HH21 ARG 1 1HH2 ARG 1 14.642 8.169 -0.051 13 HH22 ARG 1 2HH2 ARG 1 16.296 8.444 -0.303 14 H TRP 2 HN TRP 2 11.152 0.367 -0.050 15 HA TRP 2 HA TRP 2 9.811 2.743 -1.059 16 HB2 TRP 2 2HB TRP 2 11.006 1.139 -2.560 17 HB3 TRP 2 1HB TRP 2 9.823 -0.085 -2.128 18 HD1 TRP 2 1HD TRP 2 7.298 0.446 -2.899 19 HE1 TRP 2 1HE TRP 2 6.410 1.642 -5.062 20 HE3 TRP 2 3HE TRP 2 11.516 2.914 -4.224 21 HZ2 TRP 2 2HZ TRP 2 7.420 3.375 -7.021 22 HZ3 TRP 2 3HZ TRP 2 11.504 4.318 -6.249 23 HH2 TRP 2 2HH TRP 2 9.486 4.537 -7.615 24 H CYS 3 HN CYS 3 8.096 3.327 0.083 25 HA CYS 3 HA CYS 3 6.067 1.308 0.720 26 HB2 CYS 3 2HB CYS 3 6.499 4.060 1.890 27 HB3 CYS 3 1HB CYS 3 5.206 2.954 2.328 28 H PHE 4 HN PHE 4 4.106 1.468 -0.133 29 HA PHE 4 HA PHE 4 3.368 3.910 -1.496 30 HB2 PHE 4 2HB PHE 4 2.598 2.593 -3.491 31 HB3 PHE 4 1HB PHE 4 4.341 2.650 -3.292 32 HD1 PHE 4 1HD PHE 4 1.464 0.552 -3.646 33 HD2 PHE 4 2HD PHE 4 5.478 0.625 -2.293 34 HE1 PHE 4 1HE PHE 4 1.558 -1.899 -3.791 35 HE2 PHE 4 2HE PHE 4 5.586 -1.830 -2.437 36 HZ PHE 4 HZ PHE 4 3.613 -3.092 -3.194 37 H ARG 5 HN ARG 5 1.264 4.326 -1.540 38 HA ARG 5 HA ARG 5 -0.448 2.955 0.313 39 HB2 ARG 5 2HB ARG 5 -0.435 5.378 0.198 40 HB3 ARG 5 1HB ARG 5 -0.827 5.335 -1.508 41 HG2 ARG 5 2HG ARG 5 -3.045 4.467 -0.982 42 HG3 ARG 5 1HG ARG 5 -2.640 4.459 0.738 43 HD2 ARG 5 2HD ARG 5 -2.334 6.853 0.722 44 HD3 ARG 5 1HD ARG 5 -2.585 6.912 -1.015 45 HE ARG 5 HE ARG 5 -4.875 5.893 -0.283 46 HH11 ARG 5 1HH1 ARG 5 -3.090 8.497 1.311 47 HH12 ARG 5 2HH1 ARG 5 -4.465 9.370 1.801 48 HH21 ARG 5 1HH2 ARG 5 -6.831 7.112 0.412 49 HH22 ARG 5 2HH2 ARG 5 -6.633 8.539 1.287 50 H VAL 6 HN VAL 6 -1.690 1.286 -0.243 51 HA VAL 6 HA VAL 6 -2.440 0.914 -3.053 52 HB VAL 6 HB VAL 6 -2.565 -1.109 -0.808 53 HG11 VAL 6 1HG1 VAL 6 -2.692 -1.454 -3.795 54 HG12 VAL 6 2HG1 VAL 6 -4.030 -1.610 -2.658 55 HG13 VAL 6 3HG1 VAL 6 -2.696 -2.763 -2.613 56 HG21 VAL 6 1HG2 VAL 6 -0.368 -0.764 -2.848 57 HG22 VAL 6 2HG2 VAL 6 -0.516 -2.114 -1.721 58 HG23 VAL 6 3HG2 VAL 6 -0.236 -0.483 -1.113 59 H CYS 7 HN CYS 7 -4.483 1.680 -3.388 60 HA CYS 7 HA CYS 7 -6.400 1.268 -1.210 61 HB2 CYS 7 2HB CYS 7 -6.550 3.303 -3.455 62 HB3 CYS 7 1HB CYS 7 -7.718 3.097 -2.164 63 H TYR 8 HN TYR 8 -7.979 -0.121 -1.560 64 HA TYR 8 HA TYR 8 -8.973 -0.442 -4.251 65 HB2 TYR 8 2HB TYR 8 -8.703 -2.737 -4.445 66 HB3 TYR 8 1HB TYR 8 -7.187 -2.266 -3.684 67 HD1 TYR 8 1HD TYR 8 -7.276 -2.456 -1.004 68 HD2 TYR 8 2HD TYR 8 -9.799 -4.547 -3.684 69 HE1 TYR 8 1HE TYR 8 -7.698 -4.181 0.732 70 HE2 TYR 8 2HE TYR 8 -10.240 -6.242 -1.998 71 HH TYR 8 HH TYR 8 -9.233 -7.129 -0.042 72 H ARG 9 HN ARG 9 -11.127 -0.689 -4.293 73 HA ARG 9 HA ARG 9 -13.291 -0.737 -3.605 74 HB2 ARG 9 2HB ARG 9 -12.274 -2.204 -1.149 75 HB3 ARG 9 1HB ARG 9 -13.943 -2.118 -1.679 76 HG2 ARG 9 2HG ARG 9 -11.676 -3.503 -3.103 77 HG3 ARG 9 1HG ARG 9 -12.997 -4.270 -2.223 78 HD2 ARG 9 2HD ARG 9 -13.251 -2.588 -4.711 79 HD3 ARG 9 1HD ARG 9 -13.373 -4.342 -4.624 80 HE ARG 9 HE ARG 9 -15.294 -3.887 -3.065 81 HH11 ARG 9 1HH1 ARG 9 -14.467 -1.731 -5.753 82 HH12 ARG 9 2HH1 ARG 9 -16.049 -1.164 -5.964 83 HH21 ARG 9 1HH2 ARG 9 -17.460 -3.107 -3.366 84 HH22 ARG 9 2HH2 ARG 9 -17.800 -1.983 -4.585 85 H GLY 10 HN GLY 10 -11.195 1.244 -2.575 86 HA2 GLY 10 2HA GLY 10 -11.655 3.339 -1.607 87 HA3 GLY 10 1HA GLY 10 -12.968 2.607 -0.694 88 H ILE 11 HN ILE 11 -10.652 0.402 -0.310 89 HA ILE 11 HA ILE 11 -9.924 1.502 2.297 90 HB ILE 11 HB ILE 11 -9.675 -1.308 1.172 91 HG12 ILE 11 2HG1 ILE 11 -11.993 -0.693 1.625 92 HG13 ILE 11 1HG1 ILE 11 -11.445 -1.881 2.801 93 HG21 ILE 11 1HG2 ILE 11 -9.064 -2.028 3.440 94 HG22 ILE 11 2HG2 ILE 11 -9.047 -0.345 3.963 95 HG23 ILE 11 3HG2 ILE 11 -7.880 -0.905 2.766 96 HD11 ILE 11 1HD1 ILE 11 -12.790 -0.172 3.872 97 HD12 ILE 11 2HD1 ILE 11 -11.724 1.087 3.257 98 HD13 ILE 11 3HD1 ILE 11 -11.121 -0.072 4.439 99 H CYS 12 HN CYS 12 -7.984 2.263 2.698 100 HA CYS 12 HA CYS 12 -5.897 1.846 0.688 101 HB2 CYS 12 2HB CYS 12 -6.466 4.177 2.491 102 HB3 CYS 12 1HB CYS 12 -5.022 4.041 1.486 103 H TYR 13 HN TYR 13 -4.229 0.720 1.343 104 HA TYR 13 HA TYR 13 -3.378 0.992 4.100 105 HB2 TYR 13 2HB TYR 13 -2.806 -1.438 4.159 106 HB3 TYR 13 1HB TYR 13 -4.530 -1.144 4.041 107 HD1 TYR 13 1HD TYR 13 -1.593 -2.515 2.395 108 HD2 TYR 13 2HD TYR 13 -5.740 -1.721 1.960 109 HE1 TYR 13 1HE TYR 13 -1.692 -4.077 0.494 110 HE2 TYR 13 2HE TYR 13 -5.841 -3.283 0.070 111 HH TYR 13 HH TYR 13 -3.331 -5.438 -0.640 112 H ARG 14 HN ARG 14 -1.119 0.710 4.370 113 HA ARG 14 HA ARG 14 0.308 1.416 1.913 114 HB2 ARG 14 2HB ARG 14 0.451 3.038 3.726 115 HB3 ARG 14 1HB ARG 14 1.050 1.792 4.809 116 HG2 ARG 14 2HG ARG 14 3.038 1.548 3.337 117 HG3 ARG 14 1HG ARG 14 2.451 2.921 2.400 118 HD2 ARG 14 2HD ARG 14 3.035 2.986 5.350 119 HD3 ARG 14 1HD ARG 14 4.165 3.518 4.111 120 HE ARG 14 HE ARG 14 1.869 4.918 3.658 121 HH11 ARG 14 1HH1 ARG 14 3.967 4.485 6.484 122 HH12 ARG 14 2HH1 ARG 14 3.826 6.105 7.009 123 HH21 ARG 14 1HH2 ARG 14 1.671 7.154 4.401 124 HH22 ARG 14 2HH2 ARG 14 2.502 7.652 5.795 125 H LYS 15 HN LYS 15 1.691 0.040 1.033 126 HA LYS 15 HA LYS 15 2.730 -2.121 2.707 127 HB2 LYS 15 2HB LYS 15 2.255 -2.056 -0.280 128 HB3 LYS 15 1HB LYS 15 3.243 -3.283 0.496 129 HG2 LYS 15 2HG LYS 15 0.313 -2.779 1.014 130 HG3 LYS 15 1HG LYS 15 0.993 -4.113 0.080 131 HD2 LYS 15 2HD LYS 15 2.180 -4.901 2.083 132 HD3 LYS 15 1HD LYS 15 1.475 -3.582 3.015 133 HE2 LYS 15 2HE LYS 15 -0.777 -4.493 2.464 134 HE3 LYS 15 1HE LYS 15 0.023 -5.874 1.717 135 HZ1 LYS 15 1HZ LYS 15 -0.654 -6.314 4.006 136 HZ2 LYS 15 2HZ LYS 15 0.311 -5.046 4.546 137 HZ3 LYS 15 3HZ LYS 15 1.027 -6.402 3.858 138 H CYS 16 HN CYS 16 4.818 -2.346 2.970 139 HA CYS 16 HA CYS 16 6.530 -0.407 1.610 140 HB2 CYS 16 2HB CYS 16 6.612 -1.383 4.458 141 HB3 CYS 16 1HB CYS 16 7.937 -0.516 3.694 142 H ARG 17 HN ARG 17 7.897 -1.316 0.323 143 HA ARG 17 HA ARG 17 8.889 -3.989 0.973 144 HB2 ARG 17 2HB ARG 17 9.035 -2.429 -1.629 145 HB3 ARG 17 1HB ARG 17 9.706 -4.033 -1.376 146 HG2 ARG 17 2HG ARG 17 7.445 -4.900 -0.971 147 HG3 ARG 17 1HG ARG 17 6.787 -3.291 -1.262 148 HD2 ARG 17 2HD ARG 17 7.678 -3.342 -3.543 149 HD3 ARG 17 1HD ARG 17 8.347 -4.946 -3.251 150 HE ARG 17 HE ARG 17 5.472 -4.502 -2.961 151 HH11 ARG 17 1HH1 ARG 17 8.119 -6.128 -4.672 152 HH12 ARG 17 2HH1 ARG 17 7.088 -7.142 -5.560 153 HH21 ARG 17 1HH2 ARG 17 4.080 -5.865 -4.208 154 HH22 ARG 17 2HH2 ARG 17 4.733 -6.990 -5.299 155 H GLY 18 HN GLY 18 10.316 -3.388 2.522 156 HA2 GLY 18 2HA GLY 18 12.308 -2.671 3.370 157 HA3 GLY 18 1HA GLY 18 12.823 -2.328 1.720 Start of MODEL 11 1 H1 ARG 1 HN ARG 1 12.477 -0.647 -0.143 2 HA ARG 1 HA ARG 1 12.870 1.093 2.196 3 HB2 ARG 1 2HB ARG 1 14.027 1.513 -0.567 4 HB3 ARG 1 1HB ARG 1 14.170 2.620 0.783 5 HG2 ARG 1 2HG ARG 1 15.472 0.897 1.999 6 HG3 ARG 1 1HG ARG 1 15.384 -0.123 0.561 7 HD2 ARG 1 2HD ARG 1 17.497 1.075 0.597 8 HD3 ARG 1 1HD ARG 1 16.489 1.633 -0.739 9 HE ARG 1 HE ARG 1 16.298 3.138 1.704 10 HH11 ARG 1 1HH1 ARG 1 17.838 2.900 -1.471 11 HH12 ARG 1 2HH1 ARG 1 18.333 4.523 -1.541 12 HH21 ARG 1 1HH2 ARG 1 16.966 5.431 1.619 13 HH22 ARG 1 2HH2 ARG 1 17.816 5.990 0.269 14 H TRP 2 HN TRP 2 10.719 0.087 -0.002 15 HA TRP 2 HA TRP 2 9.799 2.787 -0.702 16 HB2 TRP 2 2HB TRP 2 10.455 1.137 -2.529 17 HB3 TRP 2 1HB TRP 2 9.030 0.225 -2.067 18 HD1 TRP 2 1HD TRP 2 6.627 1.532 -2.423 19 HE1 TRP 2 1HE TRP 2 5.942 3.237 -4.239 20 HE3 TRP 2 3HE TRP 2 11.253 2.972 -3.970 21 HZ2 TRP 2 2HZ TRP 2 7.188 4.954 -6.052 22 HZ3 TRP 2 3HZ TRP 2 11.422 4.662 -5.758 23 HH2 TRP 2 2HH TRP 2 9.437 5.623 -6.768 24 H CYS 3 HN CYS 3 8.054 3.455 0.258 25 HA CYS 3 HA CYS 3 6.126 1.504 1.283 26 HB2 CYS 3 2HB CYS 3 6.600 4.393 2.078 27 HB3 CYS 3 1HB CYS 3 5.304 3.380 2.697 28 H PHE 4 HN PHE 4 4.367 1.307 0.140 29 HA PHE 4 HA PHE 4 3.600 3.525 -1.589 30 HB2 PHE 4 2HB PHE 4 2.846 1.819 -3.262 31 HB3 PHE 4 1HB PHE 4 4.581 1.886 -3.021 32 HD1 PHE 4 1HD PHE 4 1.608 -0.163 -2.842 33 HD2 PHE 4 2HD PHE 4 5.721 0.017 -1.731 34 HE1 PHE 4 1HE PHE 4 1.629 -2.588 -2.468 35 HE2 PHE 4 2HE PHE 4 5.738 -2.387 -1.364 36 HZ PHE 4 HZ PHE 4 3.696 -3.706 -1.726 37 H ARG 5 HN ARG 5 1.522 4.040 -1.704 38 HA ARG 5 HA ARG 5 -0.319 2.720 0.156 39 HB2 ARG 5 2HB ARG 5 -0.153 5.112 0.481 40 HB3 ARG 5 1HB ARG 5 -0.451 5.405 -1.227 41 HG2 ARG 5 2HG ARG 5 -2.730 4.514 -0.968 42 HG3 ARG 5 1HG ARG 5 -2.426 4.267 0.750 43 HD2 ARG 5 2HD ARG 5 -2.135 6.634 1.082 44 HD3 ARG 5 1HD ARG 5 -2.272 6.935 -0.652 45 HE ARG 5 HE ARG 5 -4.585 5.756 -0.182 46 HH11 ARG 5 1HH1 ARG 5 -2.996 8.377 1.580 47 HH12 ARG 5 2HH1 ARG 5 -4.430 9.069 2.171 48 HH21 ARG 5 1HH2 ARG 5 -6.590 6.708 0.600 49 HH22 ARG 5 2HH2 ARG 5 -6.548 8.050 1.635 50 H VAL 6 HN VAL 6 -1.985 1.603 -0.521 51 HA VAL 6 HA VAL 6 -2.744 1.754 -3.350 52 HB VAL 6 HB VAL 6 -2.813 -0.733 -1.626 53 HG11 VAL 6 1HG1 VAL 6 -3.341 -0.354 -4.564 54 HG12 VAL 6 2HG1 VAL 6 -4.526 -0.738 -3.315 55 HG13 VAL 6 3HG1 VAL 6 -3.274 -1.908 -3.734 56 HG21 VAL 6 1HG2 VAL 6 -0.857 -0.016 -3.810 57 HG22 VAL 6 2HG2 VAL 6 -0.980 -1.596 -3.035 58 HG23 VAL 6 3HG2 VAL 6 -0.499 -0.184 -2.092 59 H CYS 7 HN CYS 7 -4.809 2.326 -3.563 60 HA CYS 7 HA CYS 7 -6.657 1.655 -1.390 61 HB2 CYS 7 2HB CYS 7 -6.804 3.941 -3.359 62 HB3 CYS 7 1HB CYS 7 -8.058 3.536 -2.197 63 H TYR 8 HN TYR 8 -8.028 0.123 -1.895 64 HA TYR 8 HA TYR 8 -9.142 0.065 -4.565 65 HB2 TYR 8 2HB TYR 8 -8.574 -2.175 -5.083 66 HB3 TYR 8 1HB TYR 8 -7.091 -1.505 -4.422 67 HD1 TYR 8 1HD TYR 8 -9.391 -4.156 -4.280 68 HD2 TYR 8 2HD TYR 8 -6.656 -1.976 -1.920 69 HE1 TYR 8 1HE TYR 8 -9.273 -6.047 -2.741 70 HE2 TYR 8 2HE TYR 8 -6.503 -3.880 -0.330 71 HH TYR 8 HH TYR 8 -7.853 -5.822 0.324 72 H ARG 9 HN ARG 9 -11.230 -0.473 -4.504 73 HA ARG 9 HA ARG 9 -13.296 -1.098 -3.772 74 HB2 ARG 9 2HB ARG 9 -12.015 -3.263 -3.401 75 HB3 ARG 9 1HB ARG 9 -11.844 -2.787 -1.726 76 HG2 ARG 9 2HG ARG 9 -14.275 -2.863 -1.460 77 HG3 ARG 9 1HG ARG 9 -14.446 -3.335 -3.152 78 HD2 ARG 9 2HD ARG 9 -13.043 -4.868 -0.968 79 HD3 ARG 9 1HD ARG 9 -14.535 -5.319 -1.794 80 HE ARG 9 HE ARG 9 -12.827 -5.117 -3.810 81 HH11 ARG 9 1HH1 ARG 9 -12.679 -6.911 -0.750 82 HH12 ARG 9 2HH1 ARG 9 -11.577 -8.074 -1.310 83 HH21 ARG 9 1HH2 ARG 9 -11.259 -6.691 -4.571 84 HH22 ARG 9 2HH2 ARG 9 -10.781 -7.973 -3.567 85 H GLY 10 HN GLY 10 -11.605 1.058 -2.426 86 HA2 GLY 10 2HA GLY 10 -12.304 2.760 -1.000 87 HA3 GLY 10 1HA GLY 10 -13.523 1.675 -0.342 88 H ILE 11 HN ILE 11 -10.481 0.237 -0.562 89 HA ILE 11 HA ILE 11 -9.962 0.756 2.279 90 HB ILE 11 HB ILE 11 -9.245 -1.674 0.611 91 HG12 ILE 11 2HG1 ILE 11 -11.612 -1.633 1.181 92 HG13 ILE 11 1HG1 ILE 11 -10.790 -2.891 2.093 93 HG21 ILE 11 1HG2 ILE 11 -8.710 -1.148 3.537 94 HG22 ILE 11 2HG2 ILE 11 -7.504 -1.229 2.254 95 HG23 ILE 11 3HG2 ILE 11 -8.415 -2.672 2.702 96 HD11 ILE 11 1HD1 ILE 11 -11.599 -0.186 3.135 97 HD12 ILE 11 2HD1 ILE 11 -10.751 -1.424 4.050 98 HD13 ILE 11 3HD1 ILE 11 -12.400 -1.723 3.481 99 H CYS 12 HN CYS 12 -8.279 1.939 2.630 100 HA CYS 12 HA CYS 12 -6.142 2.064 0.637 101 HB2 CYS 12 2HB CYS 12 -7.132 4.017 2.670 102 HB3 CYS 12 1HB CYS 12 -5.607 4.246 1.805 103 H TYR 13 HN TYR 13 -4.265 1.251 1.194 104 HA TYR 13 HA TYR 13 -3.468 1.216 3.988 105 HB2 TYR 13 2HB TYR 13 -2.784 -1.143 3.869 106 HB3 TYR 13 1HB TYR 13 -4.512 -0.995 3.591 107 HD1 TYR 13 1HD TYR 13 -5.329 -1.114 1.144 108 HD2 TYR 13 2HD TYR 13 -1.414 -2.253 2.336 109 HE1 TYR 13 1HE TYR 13 -5.076 -2.419 -0.920 110 HE2 TYR 13 2HE TYR 13 -1.161 -3.553 0.271 111 HH TYR 13 HH TYR 13 -3.254 -3.283 -2.352 112 H ARG 14 HN ARG 14 -1.122 0.772 4.153 113 HA ARG 14 HA ARG 14 0.296 1.365 1.676 114 HB2 ARG 14 2HB ARG 14 0.178 3.455 2.894 115 HB3 ARG 14 1HB ARG 14 0.730 2.674 4.366 116 HG2 ARG 14 2HG ARG 14 2.920 2.307 3.382 117 HG3 ARG 14 1HG ARG 14 2.368 2.988 1.853 118 HD2 ARG 14 2HD ARG 14 2.431 4.476 4.471 119 HD3 ARG 14 1HD ARG 14 3.686 4.580 3.242 120 HE ARG 14 HE ARG 14 1.998 5.498 1.747 121 HH11 ARG 14 1HH1 ARG 14 1.386 5.695 5.237 122 HH12 ARG 14 2HH1 ARG 14 0.301 6.988 5.124 123 HH21 ARG 14 1HH2 ARG 14 0.540 7.319 1.572 124 HH22 ARG 14 2HH2 ARG 14 -0.207 7.915 2.973 125 H LYS 15 HN LYS 15 1.913 0.082 1.294 126 HA LYS 15 HA LYS 15 2.769 -1.747 3.438 127 HB2 LYS 15 2HB LYS 15 2.908 -2.105 0.438 128 HB3 LYS 15 1HB LYS 15 3.435 -3.276 1.632 129 HG2 LYS 15 2HG LYS 15 0.598 -2.326 1.300 130 HG3 LYS 15 1HG LYS 15 1.250 -3.797 0.582 131 HD2 LYS 15 2HD LYS 15 1.197 -3.233 3.553 132 HD3 LYS 15 1HD LYS 15 -0.040 -4.149 2.702 133 HE2 LYS 15 2HE LYS 15 2.892 -4.880 2.867 134 HE3 LYS 15 1HE LYS 15 1.591 -5.625 3.784 135 HZ1 LYS 15 1HZ LYS 15 2.165 -6.967 1.890 136 HZ2 LYS 15 2HZ LYS 15 1.908 -5.707 0.829 137 HZ3 LYS 15 3HZ LYS 15 0.606 -6.366 1.677 138 H CYS 16 HN CYS 16 4.884 -1.730 3.957 139 HA CYS 16 HA CYS 16 6.662 -0.158 2.249 140 HB2 CYS 16 2HB CYS 16 6.854 -0.775 5.210 141 HB3 CYS 16 1HB CYS 16 8.112 0.032 4.280 142 H ARG 17 HN ARG 17 7.988 -1.289 1.096 143 HA ARG 17 HA ARG 17 8.949 -3.822 2.163 144 HB2 ARG 17 2HB ARG 17 7.163 -4.299 0.558 145 HB3 ARG 17 1HB ARG 17 7.984 -3.325 -0.651 146 HG2 ARG 17 2HG ARG 17 9.830 -4.883 -0.701 147 HG3 ARG 17 1HG ARG 17 9.086 -5.820 0.595 148 HD2 ARG 17 2HD ARG 17 8.706 -6.798 -1.625 149 HD3 ARG 17 1HD ARG 17 7.210 -6.366 -0.801 150 HE ARG 17 HE ARG 17 8.079 -4.254 -2.456 151 HH11 ARG 17 1HH1 ARG 17 6.632 -7.480 -2.703 152 HH12 ARG 17 2HH1 ARG 17 5.740 -7.130 -4.100 153 HH21 ARG 17 1HH2 ARG 17 6.879 -3.767 -4.362 154 HH22 ARG 17 2HH2 ARG 17 5.913 -4.948 -5.107 155 H GLY 18 HN GLY 18 11.071 -3.846 2.213 156 HA2 GLY 18 2HA GLY 18 13.256 -3.423 1.679 157 HA3 GLY 18 1HA GLY 18 12.705 -2.783 0.132 Start of MODEL 12 1 H1 ARG 1 HN ARG 1 12.894 0.292 1.428 2 HA ARG 1 HA ARG 1 11.640 2.271 3.215 3 HB2 ARG 1 2HB ARG 1 13.047 3.956 2.154 4 HB3 ARG 1 1HB ARG 1 14.030 2.647 2.795 5 HG2 ARG 1 2HG ARG 1 14.132 1.693 0.497 6 HG3 ARG 1 1HG ARG 1 13.306 3.141 -0.072 7 HD2 ARG 1 2HD ARG 1 15.120 4.517 0.839 8 HD3 ARG 1 1HD ARG 1 15.960 3.055 1.351 9 HE ARG 1 HE ARG 1 15.271 3.533 -1.447 10 HH11 ARG 1 1HH1 ARG 1 17.716 2.735 1.002 11 HH12 ARG 1 2HH1 ARG 1 18.993 2.580 -0.107 12 HH21 ARG 1 1HH2 ARG 1 17.044 3.327 -2.994 13 HH22 ARG 1 2HH2 ARG 1 18.596 2.943 -2.454 14 H TRP 2 HN TRP 2 11.019 0.518 0.551 15 HA TRP 2 HA TRP 2 9.695 2.596 -1.014 16 HB2 TRP 2 2HB TRP 2 10.975 0.820 -2.173 17 HB3 TRP 2 1HB TRP 2 9.919 -0.389 -1.457 18 HD1 TRP 2 1HD TRP 2 7.286 -0.179 -2.223 19 HE1 TRP 2 1HE TRP 2 6.307 0.380 -4.573 20 HE3 TRP 2 3HE TRP 2 11.359 2.073 -4.242 21 HZ2 TRP 2 2HZ TRP 2 7.198 1.616 -6.950 22 HZ3 TRP 2 3HZ TRP 2 11.238 2.906 -6.544 23 HH2 TRP 2 2HH TRP 2 9.201 2.686 -7.869 24 H CYS 3 HN CYS 3 7.836 3.238 -0.202 25 HA CYS 3 HA CYS 3 5.963 1.185 0.724 26 HB2 CYS 3 2HB CYS 3 6.319 4.022 1.687 27 HB3 CYS 3 1HB CYS 3 4.960 2.986 2.109 28 H PHE 4 HN PHE 4 4.303 0.972 -0.608 29 HA PHE 4 HA PHE 4 3.415 3.369 -2.023 30 HB2 PHE 4 2HB PHE 4 2.801 2.025 -3.984 31 HB3 PHE 4 1HB PHE 4 4.508 1.838 -3.631 32 HD1 PHE 4 1HD PHE 4 1.399 0.192 -4.189 33 HD2 PHE 4 2HD PHE 4 5.231 -0.288 -2.411 34 HE1 PHE 4 1HE PHE 4 1.104 -2.240 -4.223 35 HE2 PHE 4 2HE PHE 4 4.939 -2.731 -2.444 36 HZ PHE 4 HZ PHE 4 2.864 -3.703 -3.350 37 H ARG 5 HN ARG 5 1.288 3.714 -2.171 38 HA ARG 5 HA ARG 5 -0.342 2.245 -0.241 39 HB2 ARG 5 2HB ARG 5 -0.035 4.603 0.154 40 HB3 ARG 5 1HB ARG 5 -0.570 4.978 -1.471 41 HG2 ARG 5 2HG ARG 5 -2.824 4.241 -0.904 42 HG3 ARG 5 1HG ARG 5 -2.280 3.819 0.728 43 HD2 ARG 5 2HD ARG 5 -1.623 6.109 1.129 44 HD3 ARG 5 1HD ARG 5 -2.067 6.547 -0.510 45 HE ARG 5 HE ARG 5 -4.378 5.879 0.186 46 HH11 ARG 5 1HH1 ARG 5 -2.014 7.081 2.549 47 HH12 ARG 5 2HH1 ARG 5 -3.133 7.934 3.497 48 HH21 ARG 5 1HH2 ARG 5 -5.960 7.078 1.518 49 HH22 ARG 5 2HH2 ARG 5 -5.441 7.909 2.896 50 H VAL 6 HN VAL 6 -1.924 1.016 -0.908 51 HA VAL 6 HA VAL 6 -2.950 1.298 -3.651 52 HB VAL 6 HB VAL 6 -2.970 -1.192 -1.911 53 HG11 VAL 6 1HG1 VAL 6 -3.656 -2.367 -3.946 54 HG12 VAL 6 2HG1 VAL 6 -3.673 -0.841 -4.824 55 HG13 VAL 6 3HG1 VAL 6 -4.814 -1.109 -3.505 56 HG21 VAL 6 1HG2 VAL 6 -1.186 -0.542 -4.254 57 HG22 VAL 6 2HG2 VAL 6 -1.278 -2.106 -3.441 58 HG23 VAL 6 3HG2 VAL 6 -0.687 -0.692 -2.569 59 H CYS 7 HN CYS 7 -4.975 2.003 -3.685 60 HA CYS 7 HA CYS 7 -6.636 1.546 -1.326 61 HB2 CYS 7 2HB CYS 7 -6.799 3.803 -3.345 62 HB3 CYS 7 1HB CYS 7 -7.897 3.532 -1.990 63 H TYR 8 HN TYR 8 -8.139 0.117 -1.628 64 HA TYR 8 HA TYR 8 -9.403 -0.022 -4.245 65 HB2 TYR 8 2HB TYR 8 -9.303 -2.429 -4.339 66 HB3 TYR 8 1HB TYR 8 -7.676 -1.844 -4.037 67 HD1 TYR 8 1HD TYR 8 -7.153 -1.702 -1.348 68 HD2 TYR 8 2HD TYR 8 -9.930 -4.314 -3.207 69 HE1 TYR 8 1HE TYR 8 -6.991 -3.233 0.565 70 HE2 TYR 8 2HE TYR 8 -9.784 -5.845 -1.307 71 HH TYR 8 HH TYR 8 -8.131 -6.378 0.493 72 H ARG 9 HN ARG 9 -11.556 0.045 -4.088 73 HA ARG 9 HA ARG 9 -13.647 0.110 -3.234 74 HB2 ARG 9 2HB ARG 9 -12.572 -2.147 -1.509 75 HB3 ARG 9 1HB ARG 9 -14.242 -1.625 -1.425 76 HG2 ARG 9 2HG ARG 9 -14.076 -3.622 -2.789 77 HG3 ARG 9 1HG ARG 9 -14.527 -2.264 -3.813 78 HD2 ARG 9 2HD ARG 9 -12.214 -2.077 -4.571 79 HD3 ARG 9 1HD ARG 9 -11.751 -3.406 -3.516 80 HE ARG 9 HE ARG 9 -13.691 -4.481 -5.058 81 HH11 ARG 9 1HH1 ARG 9 -10.751 -2.713 -5.889 82 HH12 ARG 9 2HH1 ARG 9 -10.443 -3.617 -7.301 83 HH21 ARG 9 1HH2 ARG 9 -13.277 -5.697 -7.043 84 HH22 ARG 9 2HH2 ARG 9 -11.913 -5.342 -7.986 85 H GLY 10 HN GLY 10 -11.431 1.709 -2.005 86 HA2 GLY 10 2HA GLY 10 -11.789 3.576 -0.582 87 HA3 GLY 10 1HA GLY 10 -12.949 2.621 0.326 88 H ILE 11 HN ILE 11 -10.644 0.454 -0.020 89 HA ILE 11 HA ILE 11 -9.517 1.069 2.598 90 HB ILE 11 HB ILE 11 -9.362 -1.473 0.945 91 HG12 ILE 11 2HG1 ILE 11 -11.616 -1.059 1.788 92 HG13 ILE 11 1HG1 ILE 11 -10.878 -2.402 2.662 93 HG21 ILE 11 1HG2 ILE 11 -8.441 -2.540 2.959 94 HG22 ILE 11 2HG2 ILE 11 -8.401 -0.970 3.763 95 HG23 ILE 11 3HG2 ILE 11 -7.389 -1.260 2.351 96 HD11 ILE 11 1HD1 ILE 11 -10.394 -0.895 4.534 97 HD12 ILE 11 2HD1 ILE 11 -12.120 -0.954 4.175 98 HD13 ILE 11 3HD1 ILE 11 -11.155 0.434 3.661 99 H CYS 12 HN CYS 12 -7.709 2.027 2.768 100 HA CYS 12 HA CYS 12 -5.797 1.855 0.556 101 HB2 CYS 12 2HB CYS 12 -6.212 3.947 2.642 102 HB3 CYS 12 1HB CYS 12 -4.842 3.892 1.514 103 H TYR 13 HN TYR 13 -4.301 0.491 0.993 104 HA TYR 13 HA TYR 13 -3.175 0.515 3.692 105 HB2 TYR 13 2HB TYR 13 -2.615 -1.866 3.502 106 HB3 TYR 13 1HB TYR 13 -4.342 -1.631 3.320 107 HD1 TYR 13 1HD TYR 13 -1.338 -2.945 1.855 108 HD2 TYR 13 2HD TYR 13 -5.325 -1.761 0.977 109 HE1 TYR 13 1HE TYR 13 -1.271 -4.264 -0.202 110 HE2 TYR 13 2HE TYR 13 -5.265 -3.082 -1.079 111 HH TYR 13 HH TYR 13 -3.460 -4.015 -2.688 112 H ARG 14 HN ARG 14 -0.848 -0.069 3.704 113 HA ARG 14 HA ARG 14 0.366 0.869 1.217 114 HB2 ARG 14 2HB ARG 14 0.188 2.681 2.868 115 HB3 ARG 14 1HB ARG 14 1.088 1.707 4.016 116 HG2 ARG 14 2HG ARG 14 3.023 1.747 2.538 117 HG3 ARG 14 1HG ARG 14 2.118 2.733 1.385 118 HD2 ARG 14 2HD ARG 14 3.518 4.169 2.749 119 HD3 ARG 14 1HD ARG 14 1.815 4.430 3.107 120 HE ARG 14 HE ARG 14 2.345 2.733 5.005 121 HH11 ARG 14 1HH1 ARG 14 4.421 5.406 3.927 122 HH12 ARG 14 2HH1 ARG 14 5.129 5.617 5.447 123 HH21 ARG 14 1HH2 ARG 14 3.325 3.034 7.039 124 HH22 ARG 14 2HH2 ARG 14 4.507 4.226 7.275 125 H LYS 15 HN LYS 15 1.830 -0.451 0.523 126 HA LYS 15 HA LYS 15 2.821 -2.510 2.351 127 HB2 LYS 15 2HB LYS 15 2.925 -2.410 -0.671 128 HB3 LYS 15 1HB LYS 15 3.529 -3.730 0.318 129 HG2 LYS 15 2HG LYS 15 0.658 -2.838 0.063 130 HG3 LYS 15 1HG LYS 15 1.376 -4.266 -0.675 131 HD2 LYS 15 2HD LYS 15 1.177 -3.773 2.300 132 HD3 LYS 15 1HD LYS 15 0.053 -4.754 1.374 133 HE2 LYS 15 2HE LYS 15 1.849 -6.286 0.780 134 HE3 LYS 15 1HE LYS 15 3.003 -5.276 1.650 135 HZ1 LYS 15 1HZ LYS 15 0.658 -6.546 2.931 136 HZ2 LYS 15 2HZ LYS 15 1.975 -5.836 3.719 137 HZ3 LYS 15 3HZ LYS 15 2.165 -7.272 2.861 138 H CYS 16 HN CYS 16 4.799 -2.417 3.059 139 HA CYS 16 HA CYS 16 6.625 -0.564 1.745 140 HB2 CYS 16 2HB CYS 16 6.342 -1.244 4.660 141 HB3 CYS 16 1HB CYS 16 7.695 -0.338 3.990 142 H ARG 17 HN ARG 17 8.207 -1.432 0.804 143 HA ARG 17 HA ARG 17 9.434 -3.860 1.892 144 HB2 ARG 17 2HB ARG 17 9.299 -2.866 -0.968 145 HB3 ARG 17 1HB ARG 17 10.377 -4.149 -0.445 146 HG2 ARG 17 2HG ARG 17 7.372 -4.224 -0.258 147 HG3 ARG 17 1HG ARG 17 8.334 -4.995 -1.520 148 HD2 ARG 17 2HD ARG 17 9.477 -6.338 0.213 149 HD3 ARG 17 1HD ARG 17 8.452 -5.589 1.437 150 HE ARG 17 HE ARG 17 6.889 -6.743 -0.589 151 HH11 ARG 17 1HH1 ARG 17 8.826 -7.620 2.241 152 HH12 ARG 17 2HH1 ARG 17 8.006 -9.072 2.543 153 HH21 ARG 17 1HH2 ARG 17 5.739 -8.760 -0.162 154 HH22 ARG 17 2HH2 ARG 17 6.214 -9.723 1.158 155 H GLY 18 HN GLY 18 10.862 -2.995 3.195 156 HA2 GLY 18 2HA GLY 18 12.816 -2.009 3.827 157 HA3 GLY 18 1HA GLY 18 13.139 -1.664 2.128 Start of MODEL 13 1 H1 ARG 1 HN ARG 1 11.171 -1.575 2.657 2 HA ARG 1 HA ARG 1 11.137 0.416 3.644 3 HB2 ARG 1 2HB ARG 1 13.563 0.563 3.544 4 HB3 ARG 1 1HB ARG 1 13.493 1.121 1.876 5 HG2 ARG 1 2HG ARG 1 12.383 3.166 2.599 6 HG3 ARG 1 1HG ARG 1 12.433 2.607 4.267 7 HD2 ARG 1 2HD ARG 1 14.865 3.049 2.555 8 HD3 ARG 1 1HD ARG 1 14.186 4.248 3.654 9 HE ARG 1 HE ARG 1 14.659 1.840 5.017 10 HH11 ARG 1 1HH1 ARG 1 16.303 4.664 3.675 11 HH12 ARG 1 2HH1 ARG 1 17.655 4.556 4.682 12 HH21 ARG 1 1HH2 ARG 1 16.544 1.688 6.449 13 HH22 ARG 1 2HH2 ARG 1 17.790 2.835 6.287 14 H TRP 2 HN TRP 2 11.136 0.401 0.213 15 HA TRP 2 HA TRP 2 9.918 2.865 -0.286 16 HB2 TRP 2 2HB TRP 2 10.902 1.613 -2.104 17 HB3 TRP 2 1HB TRP 2 9.838 0.253 -1.793 18 HD1 TRP 2 1HD TRP 2 8.875 3.968 -2.321 19 HE1 TRP 2 1HE TRP 2 7.154 4.070 -4.255 20 HE3 TRP 2 3HE TRP 2 8.832 -0.963 -3.627 21 HZ2 TRP 2 2HZ TRP 2 5.969 2.295 -6.086 22 HZ3 TRP 2 3HZ TRP 2 7.387 -1.685 -5.478 23 HH2 TRP 2 2HH TRP 2 5.983 -0.082 -6.683 24 H CYS 3 HN CYS 3 8.072 3.546 0.402 25 HA CYS 3 HA CYS 3 5.991 1.598 1.045 26 HB2 CYS 3 2HB CYS 3 6.467 4.344 2.185 27 HB3 CYS 3 1HB CYS 3 5.125 3.288 2.599 28 H PHE 4 HN PHE 4 4.178 1.704 0.021 29 HA PHE 4 HA PHE 4 3.506 4.131 -1.389 30 HB2 PHE 4 2HB PHE 4 2.751 2.697 -3.342 31 HB3 PHE 4 1HB PHE 4 4.491 2.809 -3.124 32 HD1 PHE 4 1HD PHE 4 1.620 0.622 -3.219 33 HD2 PHE 4 2HD PHE 4 5.734 0.869 -2.189 34 HE1 PHE 4 1HE PHE 4 1.771 -1.832 -3.232 35 HE2 PHE 4 2HE PHE 4 5.893 -1.570 -2.194 36 HZ PHE 4 HZ PHE 4 3.903 -2.934 -2.718 37 H ARG 5 HN ARG 5 1.269 4.283 -1.863 38 HA ARG 5 HA ARG 5 -0.322 2.980 0.215 39 HB2 ARG 5 2HB ARG 5 -0.358 5.428 0.186 40 HB3 ARG 5 1HB ARG 5 -0.870 5.409 -1.493 41 HG2 ARG 5 2HG ARG 5 -2.975 4.358 -0.852 42 HG3 ARG 5 1HG ARG 5 -2.472 4.359 0.836 43 HD2 ARG 5 2HD ARG 5 -3.974 6.227 0.346 44 HD3 ARG 5 1HD ARG 5 -2.373 6.802 0.811 45 HE ARG 5 HE ARG 5 -2.005 6.952 -1.702 46 HH11 ARG 5 1HH1 ARG 5 -5.143 7.586 -0.177 47 HH12 ARG 5 2HH1 ARG 5 -5.682 8.597 -1.428 48 HH21 ARG 5 1HH2 ARG 5 -2.748 8.357 -3.366 49 HH22 ARG 5 2HH2 ARG 5 -4.299 9.060 -3.275 50 H VAL 6 HN VAL 6 -1.603 1.389 -0.349 51 HA VAL 6 HA VAL 6 -2.327 1.093 -3.185 52 HB VAL 6 HB VAL 6 -2.507 -0.998 -1.003 53 HG11 VAL 6 1HG1 VAL 6 -2.677 -2.583 -2.872 54 HG12 VAL 6 2HG1 VAL 6 -2.671 -1.226 -3.999 55 HG13 VAL 6 3HG1 VAL 6 -3.998 -1.414 -2.854 56 HG21 VAL 6 1HG2 VAL 6 -0.338 -0.650 -3.063 57 HG22 VAL 6 2HG2 VAL 6 -0.497 -2.016 -1.959 58 HG23 VAL 6 3HG2 VAL 6 -0.170 -0.402 -1.327 59 H CYS 7 HN CYS 7 -4.405 1.463 -3.679 60 HA CYS 7 HA CYS 7 -6.347 1.364 -1.495 61 HB2 CYS 7 2HB CYS 7 -6.377 3.161 -3.932 62 HB3 CYS 7 1HB CYS 7 -7.660 3.026 -2.729 63 H TYR 8 HN TYR 8 -7.710 -0.223 -1.707 64 HA TYR 8 HA TYR 8 -8.730 -0.846 -4.349 65 HB2 TYR 8 2HB TYR 8 -8.303 -3.195 -4.207 66 HB3 TYR 8 1HB TYR 8 -6.789 -2.437 -3.734 67 HD1 TYR 8 1HD TYR 8 -6.513 -2.119 -1.107 68 HD2 TYR 8 2HD TYR 8 -9.107 -4.908 -2.963 69 HE1 TYR 8 1HE TYR 8 -6.504 -3.478 0.942 70 HE2 TYR 8 2HE TYR 8 -9.125 -6.266 -0.945 71 HH TYR 8 HH TYR 8 -7.651 -6.646 1.018 72 H ARG 9 HN ARG 9 -10.873 -1.170 -4.258 73 HA ARG 9 HA ARG 9 -13.015 -1.322 -3.481 74 HB2 ARG 9 2HB ARG 9 -11.725 -2.782 -1.163 75 HB3 ARG 9 1HB ARG 9 -13.440 -2.775 -1.538 76 HG2 ARG 9 2HG ARG 9 -11.311 -3.848 -3.381 77 HG3 ARG 9 1HG ARG 9 -12.226 -4.835 -2.245 78 HD2 ARG 9 2HD ARG 9 -13.423 -3.185 -4.476 79 HD3 ARG 9 1HD ARG 9 -13.138 -4.924 -4.533 80 HE ARG 9 HE ARG 9 -14.705 -4.080 -2.290 81 HH11 ARG 9 1HH1 ARG 9 -14.882 -5.032 -5.678 82 HH12 ARG 9 2HH1 ARG 9 -16.477 -5.603 -5.584 83 HH21 ARG 9 1HH2 ARG 9 -16.909 -4.856 -2.149 84 HH22 ARG 9 2HH2 ARG 9 -17.675 -5.475 -3.531 85 H GLY 10 HN GLY 10 -11.018 0.809 -2.333 86 HA2 GLY 10 2HA GLY 10 -11.751 2.834 -1.280 87 HA3 GLY 10 1HA GLY 10 -12.903 1.882 -0.350 88 H ILE 11 HN ILE 11 -10.225 0.081 -0.332 89 HA ILE 11 HA ILE 11 -9.480 1.119 2.280 90 HB ILE 11 HB ILE 11 -9.025 -1.611 1.042 91 HG12 ILE 11 2HG1 ILE 11 -11.335 -1.269 1.696 92 HG13 ILE 11 1HG1 ILE 11 -10.573 -2.387 2.820 93 HG21 ILE 11 1HG2 ILE 11 -7.150 -1.038 2.513 94 HG22 ILE 11 2HG2 ILE 11 -8.136 -2.322 3.212 95 HG23 ILE 11 3HG2 ILE 11 -8.282 -0.673 3.818 96 HD11 ILE 11 1HD1 ILE 11 -10.312 -0.549 4.436 97 HD12 ILE 11 2HD1 ILE 11 -11.999 -0.828 4.006 98 HD13 ILE 11 3HD1 ILE 11 -11.126 0.539 3.313 99 H CYS 12 HN CYS 12 -7.909 2.431 2.227 100 HA CYS 12 HA CYS 12 -5.680 2.038 0.384 101 HB2 CYS 12 2HB CYS 12 -6.559 4.411 1.990 102 HB3 CYS 12 1HB CYS 12 -5.090 4.347 0.999 103 H TYR 13 HN TYR 13 -4.038 1.058 1.213 104 HA TYR 13 HA TYR 13 -3.408 1.559 4.019 105 HB2 TYR 13 2HB TYR 13 -2.666 -0.767 4.314 106 HB3 TYR 13 1HB TYR 13 -4.365 -0.687 3.888 107 HD1 TYR 13 1HD TYR 13 -5.042 -1.321 1.526 108 HD2 TYR 13 2HD TYR 13 -1.120 -1.997 3.025 109 HE1 TYR 13 1HE TYR 13 -4.657 -2.975 -0.234 110 HE2 TYR 13 2HE TYR 13 -0.725 -3.650 1.264 111 HH TYR 13 HH TYR 13 -2.849 -4.039 -1.392 112 H ARG 14 HN ARG 14 -1.243 1.477 4.574 113 HA ARG 14 HA ARG 14 0.501 2.354 2.431 114 HB2 ARG 14 2HB ARG 14 0.227 3.549 4.669 115 HB3 ARG 14 1HB ARG 14 1.047 2.184 5.396 116 HG2 ARG 14 2HG ARG 14 2.608 3.977 5.088 117 HG3 ARG 14 1HG ARG 14 3.019 2.665 3.979 118 HD2 ARG 14 2HD ARG 14 1.976 3.832 2.137 119 HD3 ARG 14 1HD ARG 14 1.389 5.085 3.229 120 HE ARG 14 HE ARG 14 4.103 4.997 3.528 121 HH11 ARG 14 1HH1 ARG 14 1.806 5.741 0.951 122 HH12 ARG 14 2HH1 ARG 14 2.808 6.849 0.139 123 HH21 ARG 14 1HH2 ARG 14 5.541 6.517 2.387 124 HH22 ARG 14 2HH2 ARG 14 5.019 7.266 0.963 125 H LYS 15 HN LYS 15 1.545 0.723 1.411 126 HA LYS 15 HA LYS 15 2.370 -1.545 3.052 127 HB2 LYS 15 2HB LYS 15 0.774 -1.996 1.143 128 HB3 LYS 15 1HB LYS 15 2.046 -1.486 0.045 129 HG2 LYS 15 2HG LYS 15 1.927 -3.917 0.204 130 HG3 LYS 15 1HG LYS 15 3.468 -3.313 0.820 131 HD2 LYS 15 2HD LYS 15 2.656 -3.501 3.106 132 HD3 LYS 15 1HD LYS 15 1.080 -4.044 2.525 133 HE2 LYS 15 2HE LYS 15 2.132 -6.034 1.593 134 HE3 LYS 15 1HE LYS 15 3.707 -5.452 2.124 135 HZ1 LYS 15 1HZ LYS 15 2.754 -7.097 3.641 136 HZ2 LYS 15 2HZ LYS 15 1.452 -6.082 3.968 137 HZ3 LYS 15 3HZ LYS 15 3.018 -5.624 4.390 138 H CYS 16 HN CYS 16 4.523 -1.851 3.297 139 HA CYS 16 HA CYS 16 6.279 -0.255 1.582 140 HB2 CYS 16 2HB CYS 16 6.798 -1.197 4.406 141 HB3 CYS 16 1HB CYS 16 7.842 -0.185 3.424 142 H ARG 17 HN ARG 17 7.644 -1.268 0.387 143 HA ARG 17 HA ARG 17 8.418 -4.011 1.057 144 HB2 ARG 17 2HB ARG 17 7.740 -2.953 -1.704 145 HB3 ARG 17 1HB ARG 17 8.413 -4.537 -1.371 146 HG2 ARG 17 2HG ARG 17 6.368 -5.137 -0.139 147 HG3 ARG 17 1HG ARG 17 5.703 -3.544 -0.499 148 HD2 ARG 17 2HD ARG 17 5.883 -4.019 -2.895 149 HD3 ARG 17 1HD ARG 17 6.522 -5.617 -2.519 150 HE ARG 17 HE ARG 17 4.219 -5.682 -1.222 151 HH11 ARG 17 1HH1 ARG 17 4.971 -4.718 -4.552 152 HH12 ARG 17 2HH1 ARG 17 3.445 -5.133 -5.182 153 HH21 ARG 17 1HH2 ARG 17 2.078 -6.294 -2.116 154 HH22 ARG 17 2HH2 ARG 17 1.778 -6.066 -3.764 155 H GLY 18 HN GLY 18 10.514 -3.840 1.528 156 HA2 GLY 18 2HA GLY 18 12.757 -3.324 1.338 157 HA3 GLY 18 1HA GLY 18 12.432 -2.889 -0.334 Start of MODEL 14 1 H1 ARG 1 HN ARG 1 12.749 -0.439 0.929 2 HA ARG 1 HA ARG 1 11.850 0.905 3.385 3 HB2 ARG 1 2HB ARG 1 13.484 2.696 2.862 4 HB3 ARG 1 1HB ARG 1 14.253 1.138 3.123 5 HG2 ARG 1 2HG ARG 1 14.658 0.860 0.794 6 HG3 ARG 1 1HG ARG 1 13.637 2.240 0.395 7 HD2 ARG 1 2HD ARG 1 16.189 2.402 2.000 8 HD3 ARG 1 1HD ARG 1 16.075 2.730 0.271 9 HE ARG 1 HE ARG 1 14.358 4.258 2.073 10 HH11 ARG 1 1HH1 ARG 1 17.245 4.263 0.023 11 HH12 ARG 1 2HH1 ARG 1 17.327 5.960 -0.086 12 HH21 ARG 1 1HH2 ARG 1 14.463 6.580 1.890 13 HH22 ARG 1 2HH2 ARG 1 15.711 7.296 0.973 14 H TRP 2 HN TRP 2 10.911 0.308 0.373 15 HA TRP 2 HA TRP 2 9.969 3.012 -0.253 16 HB2 TRP 2 2HB TRP 2 11.061 1.478 -1.979 17 HB3 TRP 2 1HB TRP 2 9.615 0.496 -1.842 18 HD1 TRP 2 1HD TRP 2 7.301 1.614 -2.645 19 HE1 TRP 2 1HE TRP 2 6.832 3.378 -4.494 20 HE3 TRP 2 3HE TRP 2 11.984 3.541 -3.095 21 HZ2 TRP 2 2HZ TRP 2 8.285 5.331 -5.916 22 HZ3 TRP 2 3HZ TRP 2 12.374 5.355 -4.708 23 HH2 TRP 2 2HH TRP 2 10.563 6.227 -6.088 24 H CYS 3 HN CYS 3 8.053 3.593 0.439 25 HA CYS 3 HA CYS 3 6.076 1.512 0.965 26 HB2 CYS 3 2HB CYS 3 6.305 4.307 2.090 27 HB3 CYS 3 1HB CYS 3 5.027 3.156 2.455 28 H PHE 4 HN PHE 4 4.295 1.447 -0.204 29 HA PHE 4 HA PHE 4 3.556 3.803 -1.733 30 HB2 PHE 4 2HB PHE 4 2.931 2.296 -3.650 31 HB3 PHE 4 1HB PHE 4 4.652 2.372 -3.338 32 HD1 PHE 4 1HD PHE 4 5.806 0.403 -2.326 33 HD2 PHE 4 2HD PHE 4 1.718 0.258 -3.482 34 HE1 PHE 4 1HE PHE 4 5.893 -2.048 -2.296 35 HE2 PHE 4 2HE PHE 4 1.794 -2.198 -3.440 36 HZ PHE 4 HZ PHE 4 3.881 -3.358 -2.850 37 H ARG 5 HN ARG 5 1.409 4.184 -1.921 38 HA ARG 5 HA ARG 5 -0.271 2.660 -0.071 39 HB2 ARG 5 2HB ARG 5 -0.098 5.068 0.336 40 HB3 ARG 5 1HB ARG 5 -0.673 5.398 -1.290 41 HG2 ARG 5 2HG ARG 5 -2.825 4.336 -0.705 42 HG3 ARG 5 1HG ARG 5 -2.230 4.096 0.939 43 HD2 ARG 5 2HD ARG 5 -3.626 6.084 0.813 44 HD3 ARG 5 1HD ARG 5 -1.962 6.526 1.186 45 HE ARG 5 HE ARG 5 -2.322 6.623 -1.578 46 HH11 ARG 5 1HH1 ARG 5 -3.384 8.416 1.300 47 HH12 ARG 5 2HH1 ARG 5 -3.610 9.877 0.455 48 HH21 ARG 5 1HH2 ARG 5 -2.679 8.709 -2.720 49 HH22 ARG 5 2HH2 ARG 5 -3.234 10.021 -1.799 50 H VAL 6 HN VAL 6 -1.623 1.252 -0.867 51 HA VAL 6 HA VAL 6 -2.652 1.641 -3.588 52 HB VAL 6 HB VAL 6 -2.446 -0.964 -2.032 53 HG11 VAL 6 1HG1 VAL 6 -3.003 -2.054 -4.154 54 HG12 VAL 6 2HG1 VAL 6 -3.183 -0.476 -4.917 55 HG13 VAL 6 3HG1 VAL 6 -4.287 -0.961 -3.631 56 HG21 VAL 6 1HG2 VAL 6 -0.741 0.031 -4.310 57 HG22 VAL 6 2HG2 VAL 6 -0.672 -1.587 -3.608 58 HG23 VAL 6 3HG2 VAL 6 -0.232 -0.180 -2.634 59 H CYS 7 HN CYS 7 -4.845 1.659 -3.811 60 HA CYS 7 HA CYS 7 -6.444 1.225 -1.401 61 HB2 CYS 7 2HB CYS 7 -6.867 3.286 -3.575 62 HB3 CYS 7 1HB CYS 7 -7.984 2.943 -2.260 63 H TYR 8 HN TYR 8 -7.875 -0.301 -1.582 64 HA TYR 8 HA TYR 8 -8.986 -0.798 -4.214 65 HB2 TYR 8 2HB TYR 8 -8.860 -3.197 -3.969 66 HB3 TYR 8 1HB TYR 8 -7.262 -2.522 -3.700 67 HD1 TYR 8 1HD TYR 8 -9.706 -4.752 -2.497 68 HD2 TYR 8 2HD TYR 8 -6.619 -2.164 -1.201 69 HE1 TYR 8 1HE TYR 8 -9.569 -6.001 -0.398 70 HE2 TYR 8 2HE TYR 8 -6.452 -3.414 0.916 71 HH TYR 8 HH TYR 8 -7.697 -6.384 1.370 72 H ARG 9 HN ARG 9 -11.000 -0.439 -4.185 73 HA ARG 9 HA ARG 9 -13.178 -0.285 -3.625 74 HB2 ARG 9 2HB ARG 9 -12.440 -2.541 -1.759 75 HB3 ARG 9 1HB ARG 9 -14.097 -2.037 -2.077 76 HG2 ARG 9 2HG ARG 9 -13.867 -2.607 -4.407 77 HG3 ARG 9 1HG ARG 9 -12.156 -2.966 -4.176 78 HD2 ARG 9 2HD ARG 9 -13.434 -5.010 -4.269 79 HD3 ARG 9 1HD ARG 9 -12.756 -4.784 -2.660 80 HE ARG 9 HE ARG 9 -15.409 -3.781 -2.898 81 HH11 ARG 9 1HH1 ARG 9 -13.498 -6.730 -2.421 82 HH12 ARG 9 2HH1 ARG 9 -14.741 -7.569 -1.608 83 HH21 ARG 9 1HH2 ARG 9 -17.131 -4.967 -1.771 84 HH22 ARG 9 2HH2 ARG 9 -16.827 -6.546 -1.208 85 H GLY 10 HN GLY 10 -11.104 1.215 -2.052 86 HA2 GLY 10 2HA GLY 10 -11.731 3.083 -0.672 87 HA3 GLY 10 1HA GLY 10 -12.892 2.034 0.133 88 H ILE 11 HN ILE 11 -10.528 -0.042 -0.047 89 HA ILE 11 HA ILE 11 -9.512 0.706 2.553 90 HB ILE 11 HB ILE 11 -9.056 -1.845 0.968 91 HG12 ILE 11 2HG1 ILE 11 -11.384 -1.616 1.641 92 HG13 ILE 11 1HG1 ILE 11 -10.603 -2.861 2.614 93 HG21 ILE 11 1HG2 ILE 11 -8.370 -1.200 3.846 94 HG22 ILE 11 2HG2 ILE 11 -7.216 -1.408 2.528 95 HG23 ILE 11 3HG2 ILE 11 -8.185 -2.777 3.077 96 HD11 ILE 11 1HD1 ILE 11 -12.030 -1.504 4.005 97 HD12 ILE 11 2HD1 ILE 11 -11.217 -0.039 3.456 98 HD13 ILE 11 3HD1 ILE 11 -10.341 -1.210 4.431 99 H CYS 12 HN CYS 12 -7.875 1.920 2.641 100 HA CYS 12 HA CYS 12 -5.861 1.815 0.521 101 HB2 CYS 12 2HB CYS 12 -6.685 3.979 2.405 102 HB3 CYS 12 1HB CYS 12 -5.250 4.100 1.369 103 H TYR 13 HN TYR 13 -4.040 0.914 1.016 104 HA TYR 13 HA TYR 13 -3.169 1.023 3.791 105 HB2 TYR 13 2HB TYR 13 -2.277 -1.274 3.600 106 HB3 TYR 13 1HB TYR 13 -4.020 -1.233 3.394 107 HD1 TYR 13 1HD TYR 13 -0.825 -2.025 1.851 108 HD2 TYR 13 2HD TYR 13 -4.991 -1.598 1.134 109 HE1 TYR 13 1HE TYR 13 -0.592 -3.266 -0.263 110 HE2 TYR 13 2HE TYR 13 -4.757 -2.836 -0.968 111 HH TYR 13 HH TYR 13 -2.033 -4.601 -1.772 112 H ARG 14 HN ARG 14 -1.020 1.304 4.102 113 HA ARG 14 HA ARG 14 0.510 1.948 1.709 114 HB2 ARG 14 2HB ARG 14 0.489 3.728 3.377 115 HB3 ARG 14 1HB ARG 14 1.060 2.607 4.609 116 HG2 ARG 14 2HG ARG 14 3.144 2.301 3.374 117 HG3 ARG 14 1HG ARG 14 2.583 3.427 2.140 118 HD2 ARG 14 2HD ARG 14 2.851 4.074 5.027 119 HD3 ARG 14 1HD ARG 14 4.147 4.394 3.871 120 HE ARG 14 HE ARG 14 1.795 5.555 2.921 121 HH11 ARG 14 1HH1 ARG 14 4.046 5.996 5.608 122 HH12 ARG 14 2HH1 ARG 14 3.812 7.672 5.733 123 HH21 ARG 14 1HH2 ARG 14 1.467 7.884 3.081 124 HH22 ARG 14 2HH2 ARG 14 2.293 8.761 4.280 125 H LYS 15 HN LYS 15 1.632 0.439 0.990 126 HA LYS 15 HA LYS 15 2.398 -1.815 2.688 127 HB2 LYS 15 2HB LYS 15 1.042 -2.131 0.568 128 HB3 LYS 15 1HB LYS 15 2.438 -1.568 -0.325 129 HG2 LYS 15 2HG LYS 15 2.325 -3.976 -0.402 130 HG3 LYS 15 1HG LYS 15 3.735 -3.484 0.539 131 HD2 LYS 15 2HD LYS 15 2.576 -3.935 2.604 132 HD3 LYS 15 1HD LYS 15 1.075 -4.250 1.733 133 HE2 LYS 15 2HE LYS 15 3.608 -5.871 1.469 134 HE3 LYS 15 1HE LYS 15 2.237 -6.311 2.485 135 HZ1 LYS 15 1HZ LYS 15 2.171 -5.998 -0.471 136 HZ2 LYS 15 2HZ LYS 15 0.867 -6.432 0.483 137 HZ3 LYS 15 3HZ LYS 15 2.190 -7.457 0.360 138 H CYS 16 HN CYS 16 4.447 -1.748 3.387 139 HA CYS 16 HA CYS 16 6.344 -0.213 1.800 140 HB2 CYS 16 2HB CYS 16 6.495 -1.140 4.669 141 HB3 CYS 16 1HB CYS 16 7.750 -0.231 3.831 142 H ARG 17 HN ARG 17 7.663 -1.219 0.568 143 HA ARG 17 HA ARG 17 8.324 -4.010 1.163 144 HB2 ARG 17 2HB ARG 17 6.914 -3.710 -0.879 145 HB3 ARG 17 1HB ARG 17 8.127 -2.623 -1.528 146 HG2 ARG 17 2HG ARG 17 9.744 -4.458 -1.566 147 HG3 ARG 17 1HG ARG 17 8.511 -5.549 -0.931 148 HD2 ARG 17 2HD ARG 17 8.696 -5.792 -3.351 149 HD3 ARG 17 1HD ARG 17 7.127 -5.115 -2.919 150 HE ARG 17 HE ARG 17 8.886 -3.016 -3.389 151 HH11 ARG 17 1HH1 ARG 17 7.346 -5.587 -5.280 152 HH12 ARG 17 2HH1 ARG 17 7.340 -4.696 -6.723 153 HH21 ARG 17 1HH2 ARG 17 8.858 -1.806 -5.360 154 HH22 ARG 17 2HH2 ARG 17 8.196 -2.502 -6.771 155 H GLY 18 HN GLY 18 10.238 -3.812 2.116 156 HA2 GLY 18 2HA GLY 18 12.485 -3.383 2.271 157 HA3 GLY 18 1HA GLY 18 12.400 -2.505 0.738 Start of MODEL 15 1 H1 ARG 1 HN ARG 1 12.257 -0.647 0.499 2 HA ARG 1 HA ARG 1 12.154 0.806 3.071 3 HB2 ARG 1 2HB ARG 1 13.965 1.409 0.731 4 HB3 ARG 1 1HB ARG 1 13.869 2.319 2.229 5 HG2 ARG 1 2HG ARG 1 14.749 0.445 3.462 6 HG3 ARG 1 1HG ARG 1 14.774 -0.537 1.995 7 HD2 ARG 1 2HD ARG 1 16.343 1.985 2.483 8 HD3 ARG 1 1HD ARG 1 16.987 0.348 2.504 9 HE ARG 1 HE ARG 1 15.686 1.065 0.038 10 HH11 ARG 1 1HH1 ARG 1 18.738 1.074 1.804 11 HH12 ARG 1 2HH1 ARG 1 19.700 1.186 0.411 12 HH21 ARG 1 1HH2 ARG 1 17.018 1.254 -1.884 13 HH22 ARG 1 2HH2 ARG 1 18.714 1.276 -1.708 14 H TRP 2 HN TRP 2 10.696 0.217 0.239 15 HA TRP 2 HA TRP 2 9.983 3.003 -0.356 16 HB2 TRP 2 2HB TRP 2 10.958 1.545 -2.180 17 HB3 TRP 2 1HB TRP 2 9.543 0.518 -2.020 18 HD1 TRP 2 1HD TRP 2 7.162 1.712 -2.632 19 HE1 TRP 2 1HE TRP 2 6.613 3.475 -4.424 20 HE3 TRP 2 3HE TRP 2 11.854 3.507 -3.412 21 HZ2 TRP 2 2HZ TRP 2 8.018 5.388 -5.969 22 HZ3 TRP 2 3HZ TRP 2 12.177 5.311 -5.061 23 HH2 TRP 2 2HH TRP 2 10.292 6.225 -6.310 24 H CYS 3 HN CYS 3 8.067 3.652 0.293 25 HA CYS 3 HA CYS 3 6.097 1.604 0.979 26 HB2 CYS 3 2HB CYS 3 6.488 4.339 2.188 27 HB3 CYS 3 1HB CYS 3 5.176 3.240 2.588 28 H PHE 4 HN PHE 4 4.261 1.608 -0.039 29 HA PHE 4 HA PHE 4 3.486 3.982 -1.528 30 HB2 PHE 4 2HB PHE 4 2.696 2.459 -3.379 31 HB3 PHE 4 1HB PHE 4 4.438 2.542 -3.192 32 HD1 PHE 4 1HD PHE 4 5.621 0.614 -2.062 33 HD2 PHE 4 2HD PHE 4 1.551 0.407 -3.266 34 HE1 PHE 4 1HE PHE 4 5.736 -1.830 -1.991 35 HE2 PHE 4 2HE PHE 4 1.655 -2.047 -3.183 36 HZ PHE 4 HZ PHE 4 3.748 -3.171 -2.545 37 H ARG 5 HN ARG 5 1.159 3.952 -2.111 38 HA ARG 5 HA ARG 5 -0.368 2.738 0.089 39 HB2 ARG 5 2HB ARG 5 -0.345 5.182 0.159 40 HB3 ARG 5 1HB ARG 5 -0.938 5.253 -1.493 41 HG2 ARG 5 2HG ARG 5 -3.014 4.113 -0.752 42 HG3 ARG 5 1HG ARG 5 -2.419 4.172 0.903 43 HD2 ARG 5 2HD ARG 5 -2.971 6.557 -0.868 44 HD3 ARG 5 1HD ARG 5 -3.998 5.989 0.446 45 HE ARG 5 HE ARG 5 -1.269 6.636 1.143 46 HH11 ARG 5 1HH1 ARG 5 -4.597 7.831 0.990 47 HH12 ARG 5 2HH1 ARG 5 -4.363 9.045 2.152 48 HH21 ARG 5 1HH2 ARG 5 -0.937 8.310 2.696 49 HH22 ARG 5 2HH2 ARG 5 -2.194 9.340 3.154 50 H VAL 6 HN VAL 6 -1.603 1.124 -0.544 51 HA VAL 6 HA VAL 6 -2.575 1.117 -3.321 52 HB VAL 6 HB VAL 6 -2.619 -1.190 -1.355 53 HG11 VAL 6 1HG1 VAL 6 -3.010 -2.570 -3.355 54 HG12 VAL 6 2HG1 VAL 6 -3.077 -1.103 -4.332 55 HG13 VAL 6 3HG1 VAL 6 -4.291 -1.387 -3.085 56 HG21 VAL 6 1HG2 VAL 6 -0.741 -2.137 -2.613 57 HG22 VAL 6 2HG2 VAL 6 -0.310 -0.614 -1.838 58 HG23 VAL 6 3HG2 VAL 6 -0.642 -0.659 -3.569 59 H CYS 7 HN CYS 7 -4.669 1.524 -3.635 60 HA CYS 7 HA CYS 7 -6.471 1.285 -1.332 61 HB2 CYS 7 2HB CYS 7 -6.565 3.294 -3.595 62 HB3 CYS 7 1HB CYS 7 -7.794 3.106 -2.351 63 H TYR 8 HN TYR 8 -7.737 -0.403 -1.609 64 HA TYR 8 HA TYR 8 -8.796 -0.763 -4.300 65 HB2 TYR 8 2HB TYR 8 -8.597 -3.152 -4.198 66 HB3 TYR 8 1HB TYR 8 -7.052 -2.457 -3.731 67 HD1 TYR 8 1HD TYR 8 -6.634 -2.261 -1.156 68 HD2 TYR 8 2HD TYR 8 -9.525 -4.807 -2.914 69 HE1 TYR 8 1HE TYR 8 -6.607 -3.685 0.868 70 HE2 TYR 8 2HE TYR 8 -9.523 -6.221 -0.926 71 HH TYR 8 HH TYR 8 -7.956 -5.276 1.997 72 H ARG 9 HN ARG 9 -10.878 -0.687 -4.409 73 HA ARG 9 HA ARG 9 -13.060 -0.578 -3.910 74 HB2 ARG 9 2HB ARG 9 -12.378 -2.546 -1.722 75 HB3 ARG 9 1HB ARG 9 -13.998 -2.178 -2.290 76 HG2 ARG 9 2HG ARG 9 -13.295 -3.015 -4.543 77 HG3 ARG 9 1HG ARG 9 -11.794 -3.559 -3.789 78 HD2 ARG 9 2HD ARG 9 -13.381 -5.382 -3.894 79 HD3 ARG 9 1HD ARG 9 -13.112 -4.916 -2.211 80 HE ARG 9 HE ARG 9 -15.328 -3.639 -3.506 81 HH11 ARG 9 1HH1 ARG 9 -14.326 -6.406 -1.562 82 HH12 ARG 9 2HH1 ARG 9 -15.881 -6.753 -0.975 83 HH21 ARG 9 1HH2 ARG 9 -17.474 -4.100 -2.707 84 HH22 ARG 9 2HH2 ARG 9 -17.738 -5.393 -1.636 85 H GLY 10 HN GLY 10 -11.061 1.144 -2.419 86 HA2 GLY 10 2HA GLY 10 -11.732 3.096 -1.214 87 HA3 GLY 10 1HA GLY 10 -12.960 2.131 -0.408 88 H ILE 11 HN ILE 11 -10.517 0.081 -0.293 89 HA ILE 11 HA ILE 11 -9.683 0.999 2.356 90 HB ILE 11 HB ILE 11 -9.375 -1.715 1.027 91 HG12 ILE 11 2HG1 ILE 11 -11.680 -1.235 1.676 92 HG13 ILE 11 1HG1 ILE 11 -10.998 -2.463 2.736 93 HG21 ILE 11 1HG2 ILE 11 -7.495 -1.316 2.524 94 HG22 ILE 11 2HG2 ILE 11 -8.578 -2.531 3.206 95 HG23 ILE 11 3HG2 ILE 11 -8.602 -0.881 3.825 96 HD11 ILE 11 1HD1 ILE 11 -12.316 -0.887 4.021 97 HD12 ILE 11 2HD1 ILE 11 -11.376 0.457 3.384 98 HD13 ILE 11 3HD1 ILE 11 -10.609 -0.719 4.445 99 H CYS 12 HN CYS 12 -7.978 2.144 2.480 100 HA CYS 12 HA CYS 12 -5.807 1.714 0.576 101 HB2 CYS 12 2HB CYS 12 -6.462 4.016 2.383 102 HB3 CYS 12 1HB CYS 12 -5.041 3.949 1.336 103 H TYR 13 HN TYR 13 -3.862 1.097 1.261 104 HA TYR 13 HA TYR 13 -3.256 1.236 4.083 105 HB2 TYR 13 2HB TYR 13 -2.349 -1.087 4.092 106 HB3 TYR 13 1HB TYR 13 -4.087 -1.019 3.884 107 HD1 TYR 13 1HD TYR 13 -0.928 -2.029 2.423 108 HD2 TYR 13 2HD TYR 13 -5.090 -1.573 1.677 109 HE1 TYR 13 1HE TYR 13 -0.732 -3.498 0.483 110 HE2 TYR 13 2HE TYR 13 -4.910 -3.040 -0.268 111 HH TYR 13 HH TYR 13 -3.263 -3.861 -1.820 112 H ARG 14 HN ARG 14 -1.089 1.252 4.564 113 HA ARG 14 HA ARG 14 0.562 2.297 2.409 114 HB2 ARG 14 2HB ARG 14 0.216 3.545 4.571 115 HB3 ARG 14 1HB ARG 14 1.028 2.233 5.400 116 HG2 ARG 14 2HG ARG 14 2.538 4.079 5.107 117 HG3 ARG 14 1HG ARG 14 3.076 2.726 4.109 118 HD2 ARG 14 2HD ARG 14 2.188 3.759 2.136 119 HD3 ARG 14 1HD ARG 14 1.408 5.016 3.095 120 HE ARG 14 HE ARG 14 4.028 5.223 3.729 121 HH11 ARG 14 1HH1 ARG 14 2.220 5.416 0.688 122 HH12 ARG 14 2HH1 ARG 14 3.329 6.437 -0.095 123 HH21 ARG 14 1HH2 ARG 14 5.567 6.677 2.639 124 HH22 ARG 14 2HH2 ARG 14 5.298 7.123 1.034 125 H LYS 15 HN LYS 15 1.558 0.664 1.389 126 HA LYS 15 HA LYS 15 2.439 -1.663 2.929 127 HB2 LYS 15 2HB LYS 15 0.928 -1.950 0.938 128 HB3 LYS 15 1HB LYS 15 2.213 -1.308 -0.065 129 HG2 LYS 15 2HG LYS 15 2.146 -3.722 -0.210 130 HG3 LYS 15 1HG LYS 15 3.641 -3.200 0.569 131 HD2 LYS 15 2HD LYS 15 2.769 -3.756 2.743 132 HD3 LYS 15 1HD LYS 15 1.179 -4.100 2.062 133 HE2 LYS 15 2HE LYS 15 3.715 -5.611 1.440 134 HE3 LYS 15 1HE LYS 15 2.480 -6.139 2.570 135 HZ1 LYS 15 1HZ LYS 15 2.027 -5.679 -0.335 136 HZ2 LYS 15 2HZ LYS 15 0.908 -6.285 0.773 137 HZ3 LYS 15 3HZ LYS 15 2.271 -7.178 0.388 138 H CYS 16 HN CYS 16 4.571 -1.901 3.293 139 HA CYS 16 HA CYS 16 6.367 -0.196 1.751 140 HB2 CYS 16 2HB CYS 16 6.655 -1.205 4.580 141 HB3 CYS 16 1HB CYS 16 7.884 -0.291 3.707 142 H ARG 17 HN ARG 17 7.634 -1.123 0.444 143 HA ARG 17 HA ARG 17 8.289 -3.951 0.806 144 HB2 ARG 17 2HB ARG 17 6.955 -3.522 -1.203 145 HB3 ARG 17 1HB ARG 17 8.087 -2.276 -1.706 146 HG2 ARG 17 2HG ARG 17 9.822 -3.965 -1.996 147 HG3 ARG 17 1HG ARG 17 8.696 -5.217 -1.467 148 HD2 ARG 17 2HD ARG 17 8.272 -3.410 -3.823 149 HD3 ARG 17 1HD ARG 17 8.903 -5.058 -3.934 150 HE ARG 17 HE ARG 17 6.729 -5.669 -2.812 151 HH11 ARG 17 1HH1 ARG 17 6.984 -2.957 -5.093 152 HH12 ARG 17 2HH1 ARG 17 5.350 -3.004 -5.560 153 HH21 ARG 17 1HH2 ARG 17 4.510 -5.770 -3.493 154 HH22 ARG 17 2HH2 ARG 17 3.912 -4.675 -4.662 155 H GLY 18 HN GLY 18 10.115 -3.831 1.880 156 HA2 GLY 18 2HA GLY 18 12.387 -3.677 2.071 157 HA3 GLY 18 1HA GLY 18 12.429 -2.801 0.539 Start of MODEL 16 1 H1 ARG 1 HN ARG 1 12.743 -0.569 0.384 2 HA ARG 1 HA ARG 1 12.796 1.845 2.058 3 HB2 ARG 1 2HB ARG 1 14.001 2.944 0.294 4 HB3 ARG 1 1HB ARG 1 14.767 1.397 0.605 5 HG2 ARG 1 2HG ARG 1 13.668 0.449 -1.363 6 HG3 ARG 1 1HG ARG 1 12.872 1.987 -1.665 7 HD2 ARG 1 2HD ARG 1 15.063 3.043 -1.969 8 HD3 ARG 1 1HD ARG 1 15.845 1.490 -1.687 9 HE ARG 1 HE ARG 1 13.908 1.407 -3.786 10 HH11 ARG 1 1HH1 ARG 1 17.293 2.193 -3.069 11 HH12 ARG 1 2HH1 ARG 1 17.834 1.953 -4.656 12 HH21 ARG 1 1HH2 ARG 1 14.663 1.091 -5.984 13 HH22 ARG 1 2HH2 ARG 1 16.294 1.358 -6.356 14 H TRP 2 HN TRP 2 10.715 0.228 -0.097 15 HA TRP 2 HA TRP 2 9.548 2.789 -0.910 16 HB2 TRP 2 2HB TRP 2 10.304 1.339 -2.777 17 HB3 TRP 2 1HB TRP 2 9.174 0.113 -2.245 18 HD1 TRP 2 1HD TRP 2 8.170 3.835 -2.408 19 HE1 TRP 2 1HE TRP 2 6.313 4.122 -4.154 20 HE3 TRP 2 3HE TRP 2 8.174 -0.876 -4.365 21 HZ2 TRP 2 2HZ TRP 2 5.022 2.557 -6.121 22 HZ3 TRP 2 3HZ TRP 2 6.596 -1.396 -6.192 23 HH2 TRP 2 2HH TRP 2 5.059 0.296 -7.045 24 H CYS 3 HN CYS 3 7.830 3.397 0.054 25 HA CYS 3 HA CYS 3 5.935 1.408 1.057 26 HB2 CYS 3 2HB CYS 3 6.363 4.302 1.842 27 HB3 CYS 3 1HB CYS 3 5.063 3.285 2.445 28 H PHE 4 HN PHE 4 4.231 1.182 -0.156 29 HA PHE 4 HA PHE 4 3.336 3.494 -1.674 30 HB2 PHE 4 2HB PHE 4 2.555 1.884 -3.454 31 HB3 PHE 4 1HB PHE 4 4.296 2.041 -3.309 32 HD1 PHE 4 1HD PHE 4 1.455 -0.192 -3.092 33 HD2 PHE 4 2HD PHE 4 5.608 0.213 -2.303 34 HE1 PHE 4 1HE PHE 4 1.651 -2.635 -2.926 35 HE2 PHE 4 2HE PHE 4 5.821 -2.231 -2.133 36 HZ PHE 4 HZ PHE 4 3.835 -3.663 -2.447 37 H ARG 5 HN ARG 5 1.147 3.733 -1.927 38 HA ARG 5 HA ARG 5 -0.375 2.275 0.110 39 HB2 ARG 5 2HB ARG 5 -0.157 4.735 0.424 40 HB3 ARG 5 1HB ARG 5 -0.979 4.973 -1.113 41 HG2 ARG 5 2HG ARG 5 -2.944 3.779 -0.189 42 HG3 ARG 5 1HG ARG 5 -2.115 3.696 1.365 43 HD2 ARG 5 2HD ARG 5 -3.632 5.557 1.399 44 HD3 ARG 5 1HD ARG 5 -1.980 6.176 1.355 45 HE ARG 5 HE ARG 5 -2.746 6.046 -1.248 46 HH11 ARG 5 1HH1 ARG 5 -3.994 7.714 1.608 47 HH12 ARG 5 2HH1 ARG 5 -4.733 8.958 0.697 48 HH21 ARG 5 1HH2 ARG 5 -3.719 7.737 -2.443 49 HH22 ARG 5 2HH2 ARG 5 -4.585 8.972 -1.613 50 H VAL 6 HN VAL 6 -1.827 0.947 -0.607 51 HA VAL 6 HA VAL 6 -2.747 1.249 -3.377 52 HB VAL 6 HB VAL 6 -2.816 -1.230 -1.626 53 HG11 VAL 6 1HG1 VAL 6 -4.612 -1.189 -3.267 54 HG12 VAL 6 2HG1 VAL 6 -3.415 -2.421 -3.667 55 HG13 VAL 6 3HG1 VAL 6 -3.443 -0.899 -4.557 56 HG21 VAL 6 1HG2 VAL 6 -0.529 -0.680 -2.225 57 HG22 VAL 6 2HG2 VAL 6 -0.982 -0.559 -3.925 58 HG23 VAL 6 3HG2 VAL 6 -1.061 -2.116 -3.101 59 H CYS 7 HN CYS 7 -4.816 1.764 -3.642 60 HA CYS 7 HA CYS 7 -6.620 1.406 -1.364 61 HB2 CYS 7 2HB CYS 7 -6.605 3.651 -3.397 62 HB3 CYS 7 1HB CYS 7 -7.871 3.383 -2.206 63 H TYR 8 HN TYR 8 -7.872 -0.215 -1.782 64 HA TYR 8 HA TYR 8 -8.988 -0.309 -4.469 65 HB2 TYR 8 2HB TYR 8 -8.959 -2.726 -4.489 66 HB3 TYR 8 1HB TYR 8 -7.372 -2.147 -4.000 67 HD1 TYR 8 1HD TYR 8 -6.678 -2.346 -1.625 68 HD2 TYR 8 2HD TYR 8 -10.214 -4.151 -3.096 69 HE1 TYR 8 1HE TYR 8 -6.719 -3.855 0.333 70 HE2 TYR 8 2HE TYR 8 -10.288 -5.651 -1.172 71 HH TYR 8 HH TYR 8 -8.808 -6.564 0.501 72 H ARG 9 HN ARG 9 -10.961 0.297 -4.455 73 HA ARG 9 HA ARG 9 -13.169 0.551 -4.000 74 HB2 ARG 9 2HB ARG 9 -12.831 -1.875 -2.227 75 HB3 ARG 9 1HB ARG 9 -14.362 -1.226 -2.794 76 HG2 ARG 9 2HG ARG 9 -12.196 -2.441 -4.507 77 HG3 ARG 9 1HG ARG 9 -13.710 -3.207 -4.027 78 HD2 ARG 9 2HD ARG 9 -13.475 -0.712 -5.707 79 HD3 ARG 9 1HD ARG 9 -13.759 -2.335 -6.323 80 HE ARG 9 HE ARG 9 -15.687 -1.560 -4.368 81 HH11 ARG 9 1HH1 ARG 9 -14.854 -1.282 -7.801 82 HH12 ARG 9 2HH1 ARG 9 -16.447 -0.984 -8.298 83 HH21 ARG 9 1HH2 ARG 9 -17.873 -1.199 -5.075 84 HH22 ARG 9 2HH2 ARG 9 -18.200 -0.948 -6.727 85 H GLY 10 HN GLY 10 -11.036 1.659 -2.184 86 HA2 GLY 10 2HA GLY 10 -11.587 3.393 -0.578 87 HA3 GLY 10 1HA GLY 10 -12.851 2.331 0.029 88 H ILE 11 HN ILE 11 -10.545 0.184 -0.363 89 HA ILE 11 HA ILE 11 -9.597 0.560 2.359 90 HB ILE 11 HB ILE 11 -9.283 -1.848 0.531 91 HG12 ILE 11 2HG1 ILE 11 -11.584 -1.508 1.299 92 HG13 ILE 11 1HG1 ILE 11 -10.871 -2.930 2.054 93 HG21 ILE 11 1HG2 ILE 11 -8.509 -1.540 3.441 94 HG22 ILE 11 2HG2 ILE 11 -7.393 -1.680 2.084 95 HG23 ILE 11 3HG2 ILE 11 -8.436 -3.039 2.510 96 HD11 ILE 11 1HD1 ILE 11 -10.454 -1.609 4.086 97 HD12 ILE 11 2HD1 ILE 11 -12.165 -1.688 3.675 98 HD13 ILE 11 3HD1 ILE 11 -11.239 -0.223 3.332 99 H CYS 12 HN CYS 12 -8.021 1.820 2.504 100 HA CYS 12 HA CYS 12 -5.833 1.727 0.576 101 HB2 CYS 12 2HB CYS 12 -6.650 3.743 2.635 102 HB3 CYS 12 1HB CYS 12 -5.167 3.875 1.674 103 H TYR 13 HN TYR 13 -4.118 0.655 1.144 104 HA TYR 13 HA TYR 13 -3.351 0.655 3.950 105 HB2 TYR 13 2HB TYR 13 -2.585 -1.679 3.800 106 HB3 TYR 13 1HB TYR 13 -4.312 -1.561 3.511 107 HD1 TYR 13 1HD TYR 13 -1.102 -2.625 2.213 108 HD2 TYR 13 2HD TYR 13 -5.156 -1.862 1.142 109 HE1 TYR 13 1HE TYR 13 -0.815 -3.970 0.195 110 HE2 TYR 13 2HE TYR 13 -4.874 -3.207 -0.888 111 HH TYR 13 HH TYR 13 -3.044 -3.975 -2.349 112 H ARG 14 HN ARG 14 -1.174 0.743 4.331 113 HA ARG 14 HA ARG 14 0.390 1.531 1.989 114 HB2 ARG 14 2HB ARG 14 0.137 3.291 3.658 115 HB3 ARG 14 1HB ARG 14 0.765 2.221 4.902 116 HG2 ARG 14 2HG ARG 14 2.932 2.174 3.794 117 HG3 ARG 14 1HG ARG 14 2.305 3.210 2.506 118 HD2 ARG 14 2HD ARG 14 2.378 3.914 5.406 119 HD3 ARG 14 1HD ARG 14 3.597 4.444 4.239 120 HE ARG 14 HE ARG 14 1.451 5.369 3.063 121 HH11 ARG 14 1HH1 ARG 14 2.230 5.568 6.513 122 HH12 ARG 14 2HH1 ARG 14 1.300 6.960 6.777 123 HH21 ARG 14 1HH2 ARG 14 0.241 7.288 3.402 124 HH22 ARG 14 2HH2 ARG 14 0.134 7.981 4.951 125 H LYS 15 HN LYS 15 1.786 0.181 1.336 126 HA LYS 15 HA LYS 15 2.694 -1.959 3.128 127 HB2 LYS 15 2HB LYS 15 1.257 -2.454 1.152 128 HB3 LYS 15 1HB LYS 15 2.646 -1.999 0.170 129 HG2 LYS 15 2HG LYS 15 3.966 -3.727 1.056 130 HG3 LYS 15 1HG LYS 15 2.781 -4.070 2.327 131 HD2 LYS 15 2HD LYS 15 1.176 -4.626 0.733 132 HD3 LYS 15 1HD LYS 15 2.318 -4.215 -0.563 133 HE2 LYS 15 2HE LYS 15 2.225 -6.678 -0.264 134 HE3 LYS 15 1HE LYS 15 3.791 -6.062 0.262 135 HZ1 LYS 15 1HZ LYS 15 2.869 -7.654 1.836 136 HZ2 LYS 15 2HZ LYS 15 1.501 -6.690 2.031 137 HZ3 LYS 15 3HZ LYS 15 2.988 -6.138 2.555 138 H CYS 16 HN CYS 16 4.770 -1.852 3.636 139 HA CYS 16 HA CYS 16 6.539 -0.235 1.951 140 HB2 CYS 16 2HB CYS 16 6.731 -0.877 4.895 141 HB3 CYS 16 1HB CYS 16 7.947 -0.001 3.978 142 H ARG 17 HN ARG 17 7.932 -1.307 0.797 143 HA ARG 17 HA ARG 17 8.876 -3.887 1.831 144 HB2 ARG 17 2HB ARG 17 8.781 -3.005 -1.059 145 HB3 ARG 17 1HB ARG 17 9.288 -4.578 -0.467 146 HG2 ARG 17 2HG ARG 17 6.977 -4.942 0.364 147 HG3 ARG 17 1HG ARG 17 6.514 -3.420 -0.397 148 HD2 ARG 17 2HD ARG 17 7.592 -5.884 -1.748 149 HD3 ARG 17 1HD ARG 17 5.950 -5.252 -1.853 150 HE ARG 17 HE ARG 17 8.155 -3.579 -2.783 151 HH11 ARG 17 1HH1 ARG 17 5.351 -5.580 -3.617 152 HH12 ARG 17 2HH1 ARG 17 5.336 -5.125 -5.252 153 HH21 ARG 17 1HH2 ARG 17 8.180 -3.021 -5.015 154 HH22 ARG 17 2HH2 ARG 17 7.013 -3.673 -6.088 155 H GLY 18 HN GLY 18 10.563 -3.043 2.958 156 HA2 GLY 18 2HA GLY 18 12.762 -2.468 3.210 157 HA3 GLY 18 1HA GLY 18 12.906 -2.445 1.458 Start of MODEL 17 1 H1 ARG 1 HN ARG 1 12.795 -0.337 0.692 2 HA ARG 1 HA ARG 1 12.209 1.512 2.900 3 HB2 ARG 1 2HB ARG 1 13.775 3.099 1.774 4 HB3 ARG 1 1HB ARG 1 14.548 1.649 2.392 5 HG2 ARG 1 2HG ARG 1 14.607 0.704 0.148 6 HG3 ARG 1 1HG ARG 1 13.807 2.144 -0.486 7 HD2 ARG 1 2HD ARG 1 15.669 3.518 0.205 8 HD3 ARG 1 1HD ARG 1 16.444 2.129 0.961 9 HE ARG 1 HE ARG 1 16.068 1.389 -1.625 10 HH11 ARG 1 1HH1 ARG 1 17.704 4.124 -0.067 11 HH12 ARG 1 2HH1 ARG 1 18.969 4.192 -1.185 12 HH21 ARG 1 1HH2 ARG 1 17.815 1.504 -3.193 13 HH22 ARG 1 2HH2 ARG 1 19.022 2.690 -3.010 14 H TRP 2 HN TRP 2 10.929 0.270 0.257 15 HA TRP 2 HA TRP 2 9.929 2.743 -0.900 16 HB2 TRP 2 2HB TRP 2 10.863 1.195 -2.496 17 HB3 TRP 2 1HB TRP 2 9.941 -0.133 -1.820 18 HD1 TRP 2 1HD TRP 2 8.648 3.307 -3.009 19 HE1 TRP 2 1HE TRP 2 6.814 2.882 -4.799 20 HE3 TRP 2 3HE TRP 2 8.962 -1.759 -3.286 21 HZ2 TRP 2 2HZ TRP 2 5.686 0.680 -6.137 22 HZ3 TRP 2 3HZ TRP 2 7.478 -2.964 -4.858 23 HH2 TRP 2 2HH TRP 2 5.886 -1.764 -6.241 24 H CYS 3 HN CYS 3 8.127 3.446 0.031 25 HA CYS 3 HA CYS 3 6.170 1.470 0.962 26 HB2 CYS 3 2HB CYS 3 6.542 4.343 1.847 27 HB3 CYS 3 1HB CYS 3 5.298 3.241 2.426 28 H PHE 4 HN PHE 4 4.401 1.305 -0.179 29 HA PHE 4 HA PHE 4 3.518 3.608 -1.747 30 HB2 PHE 4 2HB PHE 4 2.841 2.035 -3.563 31 HB3 PHE 4 1HB PHE 4 4.576 2.074 -3.311 32 HD1 PHE 4 1HD PHE 4 5.665 0.159 -2.093 33 HD2 PHE 4 2HD PHE 4 1.616 0.031 -3.383 34 HE1 PHE 4 1HE PHE 4 5.684 -2.293 -1.895 35 HE2 PHE 4 2HE PHE 4 1.624 -2.418 -3.186 36 HZ PHE 4 HZ PHE 4 3.659 -3.586 -2.438 37 H ARG 5 HN ARG 5 1.268 3.829 -1.954 38 HA ARG 5 HA ARG 5 -0.250 2.189 -0.050 39 HB2 ARG 5 2HB ARG 5 -0.039 4.607 0.563 40 HB3 ARG 5 1HB ARG 5 -0.825 5.021 -0.953 41 HG2 ARG 5 2HG ARG 5 -2.826 3.760 -0.206 42 HG3 ARG 5 1HG ARG 5 -2.036 3.505 1.349 43 HD2 ARG 5 2HD ARG 5 -2.704 6.179 0.120 44 HD3 ARG 5 1HD ARG 5 -3.607 5.393 1.408 45 HE ARG 5 HE ARG 5 -1.086 5.576 2.402 46 HH11 ARG 5 1HH1 ARG 5 -3.388 7.940 1.103 47 HH12 ARG 5 2HH1 ARG 5 -2.805 9.230 2.031 48 HH21 ARG 5 1HH2 ARG 5 -0.243 7.370 3.633 49 HH22 ARG 5 2HH2 ARG 5 -0.944 8.910 3.476 50 H VAL 6 HN VAL 6 -1.886 1.072 -0.800 51 HA VAL 6 HA VAL 6 -2.794 1.601 -3.552 52 HB VAL 6 HB VAL 6 -2.782 -1.088 -2.137 53 HG11 VAL 6 1HG1 VAL 6 -3.347 -0.398 -5.018 54 HG12 VAL 6 2HG1 VAL 6 -4.534 -0.891 -3.812 55 HG13 VAL 6 3HG1 VAL 6 -3.292 -2.027 -4.340 56 HG21 VAL 6 1HG2 VAL 6 -0.492 -0.396 -2.592 57 HG22 VAL 6 2HG2 VAL 6 -0.904 -0.099 -4.282 58 HG23 VAL 6 3HG2 VAL 6 -0.957 -1.739 -3.635 59 H CYS 7 HN CYS 7 -4.998 1.641 -3.851 60 HA CYS 7 HA CYS 7 -6.649 1.237 -1.464 61 HB2 CYS 7 2HB CYS 7 -6.954 3.409 -3.551 62 HB3 CYS 7 1HB CYS 7 -8.079 3.090 -2.238 63 H TYR 8 HN TYR 8 -8.232 -0.144 -1.724 64 HA TYR 8 HA TYR 8 -9.328 -0.396 -4.384 65 HB2 TYR 8 2HB TYR 8 -9.396 -2.814 -4.338 66 HB3 TYR 8 1HB TYR 8 -7.754 -2.279 -4.012 67 HD1 TYR 8 1HD TYR 8 -6.902 -2.413 -1.693 68 HD2 TYR 8 2HD TYR 8 -10.559 -4.189 -2.829 69 HE1 TYR 8 1HE TYR 8 -6.801 -3.874 0.307 70 HE2 TYR 8 2HE TYR 8 -10.506 -5.640 -0.855 71 HH TYR 8 HH TYR 8 -8.252 -5.174 1.711 72 H ARG 9 HN ARG 9 -11.254 0.235 -4.270 73 HA ARG 9 HA ARG 9 -13.439 0.487 -3.752 74 HB2 ARG 9 2HB ARG 9 -13.036 -2.099 -2.249 75 HB3 ARG 9 1HB ARG 9 -14.595 -1.403 -2.654 76 HG2 ARG 9 2HG ARG 9 -12.524 -2.353 -4.641 77 HG3 ARG 9 1HG ARG 9 -13.965 -3.245 -4.170 78 HD2 ARG 9 2HD ARG 9 -14.479 -2.228 -6.254 79 HD3 ARG 9 1HD ARG 9 -15.299 -1.272 -5.028 80 HE ARG 9 HE ARG 9 -12.684 -0.357 -5.925 81 HH11 ARG 9 1HH1 ARG 9 -16.190 0.075 -6.153 82 HH12 ARG 9 2HH1 ARG 9 -16.086 1.647 -6.802 83 HH21 ARG 9 1HH2 ARG 9 -12.566 1.775 -6.811 84 HH22 ARG 9 2HH2 ARG 9 -14.008 2.632 -7.183 85 H GLY 10 HN GLY 10 -11.445 1.660 -2.026 86 HA2 GLY 10 2HA GLY 10 -12.047 3.311 -0.394 87 HA3 GLY 10 1HA GLY 10 -13.220 2.177 0.257 88 H ILE 11 HN ILE 11 -10.698 0.247 -0.248 89 HA ILE 11 HA ILE 11 -9.684 0.708 2.453 90 HB ILE 11 HB ILE 11 -9.496 -1.743 0.675 91 HG12 ILE 11 2HG1 ILE 11 -11.720 -1.372 1.631 92 HG13 ILE 11 1HG1 ILE 11 -10.959 -2.789 2.340 93 HG21 ILE 11 1HG2 ILE 11 -8.449 -1.352 3.478 94 HG22 ILE 11 2HG2 ILE 11 -7.477 -1.574 2.023 95 HG23 ILE 11 3HG2 ILE 11 -8.495 -2.890 2.613 96 HD11 ILE 11 1HD1 ILE 11 -10.392 -1.480 4.330 97 HD12 ILE 11 2HD1 ILE 11 -12.131 -1.477 4.028 98 HD13 ILE 11 3HD1 ILE 11 -11.156 -0.064 3.618 99 H CYS 12 HN CYS 12 -7.987 1.887 2.562 100 HA CYS 12 HA CYS 12 -5.956 1.748 0.464 101 HB2 CYS 12 2HB CYS 12 -6.672 3.875 2.450 102 HB3 CYS 12 1HB CYS 12 -5.240 3.955 1.415 103 H TYR 13 HN TYR 13 -4.178 0.731 0.979 104 HA TYR 13 HA TYR 13 -3.312 0.704 3.778 105 HB2 TYR 13 2HB TYR 13 -2.591 -1.646 3.514 106 HB3 TYR 13 1HB TYR 13 -4.328 -1.480 3.305 107 HD1 TYR 13 1HD TYR 13 -5.345 -1.816 1.085 108 HD2 TYR 13 2HD TYR 13 -1.177 -2.308 1.684 109 HE1 TYR 13 1HE TYR 13 -5.179 -2.984 -1.062 110 HE2 TYR 13 2HE TYR 13 -0.997 -3.480 -0.475 111 HH TYR 13 HH TYR 13 -3.400 -3.401 -2.789 112 H ARG 14 HN ARG 14 -1.060 0.712 4.045 113 HA ARG 14 HA ARG 14 0.437 1.328 1.595 114 HB2 ARG 14 2HB ARG 14 0.261 3.190 3.219 115 HB3 ARG 14 1HB ARG 14 1.030 2.179 4.435 116 HG2 ARG 14 2HG ARG 14 3.009 2.007 2.888 117 HG3 ARG 14 1HG ARG 14 2.245 3.248 1.895 118 HD2 ARG 14 2HD ARG 14 3.837 4.282 3.391 119 HD3 ARG 14 1HD ARG 14 2.204 4.738 3.869 120 HE ARG 14 HE ARG 14 3.062 2.419 5.253 121 HH11 ARG 14 1HH1 ARG 14 3.615 5.908 5.238 122 HH12 ARG 14 2HH1 ARG 14 3.819 6.024 6.916 123 HH21 ARG 14 1HH2 ARG 14 3.467 2.543 7.519 124 HH22 ARG 14 2HH2 ARG 14 3.808 4.047 8.238 125 H LYS 15 HN LYS 15 1.988 -0.003 1.081 126 HA LYS 15 HA LYS 15 2.925 -1.896 3.113 127 HB2 LYS 15 2HB LYS 15 2.874 -2.195 0.102 128 HB3 LYS 15 1HB LYS 15 3.660 -3.319 1.194 129 HG2 LYS 15 2HG LYS 15 0.717 -2.707 1.089 130 HG3 LYS 15 1HG LYS 15 1.502 -4.160 0.469 131 HD2 LYS 15 2HD LYS 15 2.260 -4.700 2.758 132 HD3 LYS 15 1HD LYS 15 1.415 -3.271 3.357 133 HE2 LYS 15 2HE LYS 15 0.065 -5.228 3.745 134 HE3 LYS 15 1HE LYS 15 -0.704 -4.213 2.531 135 HZ1 LYS 15 1HZ LYS 15 0.900 -6.651 1.983 136 HZ2 LYS 15 2HZ LYS 15 0.145 -5.712 0.816 137 HZ3 LYS 15 3HZ LYS 15 -0.771 -6.547 1.940 138 H CYS 16 HN CYS 16 4.919 -1.678 3.739 139 HA CYS 16 HA CYS 16 6.700 -0.106 2.069 140 HB2 CYS 16 2HB CYS 16 6.833 -0.806 5.006 141 HB3 CYS 16 1HB CYS 16 8.139 -0.014 4.132 142 H ARG 17 HN ARG 17 8.002 -1.107 0.913 143 HA ARG 17 HA ARG 17 8.785 -3.841 1.570 144 HB2 ARG 17 2HB ARG 17 7.367 -3.751 -0.386 145 HB3 ARG 17 1HB ARG 17 8.312 -2.437 -1.058 146 HG2 ARG 17 2HG ARG 17 10.177 -3.927 -1.423 147 HG3 ARG 17 1HG ARG 17 9.290 -5.242 -0.638 148 HD2 ARG 17 2HD ARG 17 7.641 -5.255 -2.314 149 HD3 ARG 17 1HD ARG 17 8.251 -3.768 -3.026 150 HE ARG 17 HE ARG 17 10.318 -5.151 -3.465 151 HH11 ARG 17 1HH1 ARG 17 7.111 -6.610 -3.327 152 HH12 ARG 17 2HH1 ARG 17 7.387 -7.687 -4.615 153 HH21 ARG 17 1HH2 ARG 17 10.679 -6.606 -5.291 154 HH22 ARG 17 2HH2 ARG 17 9.444 -7.663 -5.769 155 H GLY 18 HN GLY 18 10.663 -3.524 2.550 156 HA2 GLY 18 2HA GLY 18 12.882 -2.983 2.808 157 HA3 GLY 18 1HA GLY 18 12.893 -2.440 1.128 Start of MODEL 18 1 H1 ARG 1 HN ARG 1 12.419 -0.178 0.883 2 HA ARG 1 HA ARG 1 11.331 1.118 3.267 3 HB2 ARG 1 2HB ARG 1 12.938 2.919 3.146 4 HB3 ARG 1 1HB ARG 1 13.789 1.397 3.295 5 HG2 ARG 1 2HG ARG 1 14.353 1.449 0.942 6 HG3 ARG 1 1HG ARG 1 13.414 2.933 0.733 7 HD2 ARG 1 2HD ARG 1 15.873 2.579 2.444 8 HD3 ARG 1 1HD ARG 1 15.767 3.481 0.935 9 HE ARG 1 HE ARG 1 13.999 4.341 3.075 10 HH11 ARG 1 1HH1 ARG 1 17.005 4.962 1.326 11 HH12 ARG 1 2HH1 ARG 1 17.205 6.535 1.954 12 HH21 ARG 1 1HH2 ARG 1 14.286 6.419 3.970 13 HH22 ARG 1 2HH2 ARG 1 15.636 7.376 3.520 14 H TRP 2 HN TRP 2 10.720 0.390 0.289 15 HA TRP 2 HA TRP 2 9.828 3.012 -0.620 16 HB2 TRP 2 2HB TRP 2 10.951 1.410 -2.217 17 HB3 TRP 2 1HB TRP 2 9.614 0.301 -1.943 18 HD1 TRP 2 1HD TRP 2 7.112 1.367 -2.718 19 HE1 TRP 2 1HE TRP 2 6.563 2.737 -4.843 20 HE3 TRP 2 3HE TRP 2 11.808 2.952 -3.875 21 HZ2 TRP 2 2HZ TRP 2 7.961 4.276 -6.744 22 HZ3 TRP 2 3HZ TRP 2 12.119 4.358 -5.868 23 HH2 TRP 2 2HH TRP 2 10.233 4.999 -7.263 24 H CYS 3 HN CYS 3 7.908 3.591 0.107 25 HA CYS 3 HA CYS 3 5.985 1.492 0.760 26 HB2 CYS 3 2HB CYS 3 6.213 4.308 1.807 27 HB3 CYS 3 1HB CYS 3 4.930 3.175 2.215 28 H PHE 4 HN PHE 4 4.227 1.317 -0.408 29 HA PHE 4 HA PHE 4 3.356 3.674 -1.832 30 HB2 PHE 4 2HB PHE 4 2.602 2.249 -3.729 31 HB3 PHE 4 1HB PHE 4 4.342 2.308 -3.547 32 HD1 PHE 4 1HD PHE 4 5.501 0.271 -2.570 33 HD2 PHE 4 2HD PHE 4 1.423 0.243 -3.758 34 HE1 PHE 4 1HE PHE 4 5.572 -2.173 -2.739 35 HE2 PHE 4 2HE PHE 4 1.483 -2.211 -3.908 36 HZ PHE 4 HZ PHE 4 3.557 -3.423 -3.402 37 H ARG 5 HN ARG 5 1.183 3.977 -2.053 38 HA ARG 5 HA ARG 5 -0.287 2.691 0.097 39 HB2 ARG 5 2HB ARG 5 -0.015 5.190 -0.086 40 HB3 ARG 5 1HB ARG 5 -0.990 5.117 -1.538 41 HG2 ARG 5 2HG ARG 5 -2.864 4.232 -0.239 42 HG3 ARG 5 1HG ARG 5 -1.878 4.326 1.225 43 HD2 ARG 5 2HD ARG 5 -1.585 6.772 0.766 44 HD3 ARG 5 1HD ARG 5 -2.758 6.603 -0.537 45 HE ARG 5 HE ARG 5 -3.673 5.634 1.988 46 HH11 ARG 5 1HH1 ARG 5 -3.392 8.515 -0.062 47 HH12 ARG 5 2HH1 ARG 5 -4.632 9.365 0.726 48 HH21 ARG 5 1HH2 ARG 5 -5.413 6.818 3.080 49 HH22 ARG 5 2HH2 ARG 5 -5.808 8.377 2.528 50 H VAL 6 HN VAL 6 -1.505 1.047 -0.493 51 HA VAL 6 HA VAL 6 -2.603 0.962 -3.208 52 HB VAL 6 HB VAL 6 -2.535 -1.228 -1.110 53 HG11 VAL 6 1HG1 VAL 6 -3.227 -1.337 -4.046 54 HG12 VAL 6 2HG1 VAL 6 -4.350 -1.507 -2.699 55 HG13 VAL 6 3HG1 VAL 6 -3.106 -2.727 -2.968 56 HG21 VAL 6 1HG2 VAL 6 -0.760 -0.845 -3.513 57 HG22 VAL 6 2HG2 VAL 6 -0.766 -2.256 -2.455 58 HG23 VAL 6 3HG2 VAL 6 -0.276 -0.683 -1.826 59 H CYS 7 HN CYS 7 -4.721 1.323 -3.462 60 HA CYS 7 HA CYS 7 -6.415 1.099 -1.092 61 HB2 CYS 7 2HB CYS 7 -6.561 3.261 -3.201 62 HB3 CYS 7 1HB CYS 7 -7.705 3.044 -1.884 63 H TYR 8 HN TYR 8 -7.655 -0.536 -1.444 64 HA TYR 8 HA TYR 8 -8.701 -0.844 -4.152 65 HB2 TYR 8 2HB TYR 8 -8.814 -3.241 -3.845 66 HB3 TYR 8 1HB TYR 8 -7.206 -2.672 -3.404 67 HD1 TYR 8 1HD TYR 8 -6.537 -2.644 -1.035 68 HD2 TYR 8 2HD TYR 8 -10.202 -4.352 -2.278 69 HE1 TYR 8 1HE TYR 8 -6.684 -3.873 1.108 70 HE2 TYR 8 2HE TYR 8 -10.383 -5.573 -0.161 71 HH TYR 8 HH TYR 8 -8.846 -6.403 1.607 72 H ARG 9 HN ARG 9 -10.703 -0.303 -4.351 73 HA ARG 9 HA ARG 9 -12.954 -0.023 -3.993 74 HB2 ARG 9 2HB ARG 9 -12.618 -1.931 -1.661 75 HB3 ARG 9 1HB ARG 9 -14.124 -1.503 -2.453 76 HG2 ARG 9 2HG ARG 9 -13.480 -2.671 -4.439 77 HG3 ARG 9 1HG ARG 9 -11.856 -2.958 -3.800 78 HD2 ARG 9 2HD ARG 9 -12.892 -4.233 -1.936 79 HD3 ARG 9 1HD ARG 9 -14.452 -4.057 -2.732 80 HE ARG 9 HE ARG 9 -12.909 -5.142 -4.648 81 HH11 ARG 9 1HH1 ARG 9 -13.594 -6.078 -1.290 82 HH12 ARG 9 2HH1 ARG 9 -13.434 -7.741 -1.591 83 HH21 ARG 9 1HH2 ARG 9 -12.637 -7.482 -5.011 84 HH22 ARG 9 2HH2 ARG 9 -12.847 -8.543 -3.704 85 H GLY 10 HN GLY 10 -10.742 1.383 -2.373 86 HA2 GLY 10 2HA GLY 10 -11.146 3.415 -1.156 87 HA3 GLY 10 1HA GLY 10 -12.528 2.632 -0.399 88 H ILE 11 HN ILE 11 -10.483 0.205 -0.276 89 HA ILE 11 HA ILE 11 -9.648 0.842 2.429 90 HB ILE 11 HB ILE 11 -9.291 -1.717 0.837 91 HG12 ILE 11 2HG1 ILE 11 -11.654 -1.238 1.218 92 HG13 ILE 11 1HG1 ILE 11 -11.141 -2.593 2.216 93 HG21 ILE 11 1HG2 ILE 11 -8.915 -1.173 3.784 94 HG22 ILE 11 2HG2 ILE 11 -7.638 -1.516 2.618 95 HG23 ILE 11 3HG2 ILE 11 -8.825 -2.760 3.019 96 HD11 ILE 11 1HD1 ILE 11 -11.527 0.247 3.134 97 HD12 ILE 11 2HD1 ILE 11 -10.974 -1.085 4.140 98 HD13 ILE 11 3HD1 ILE 11 -12.604 -1.117 3.457 99 H CYS 12 HN CYS 12 -8.024 2.062 2.570 100 HA CYS 12 HA CYS 12 -5.769 1.811 0.752 101 HB2 CYS 12 2HB CYS 12 -6.634 3.886 2.711 102 HB3 CYS 12 1HB CYS 12 -5.070 3.958 1.886 103 H TYR 13 HN TYR 13 -3.953 0.923 1.342 104 HA TYR 13 HA TYR 13 -3.160 1.061 4.115 105 HB2 TYR 13 2HB TYR 13 -2.366 -1.267 4.133 106 HB3 TYR 13 1HB TYR 13 -4.104 -1.177 3.928 107 HD1 TYR 13 1HD TYR 13 -5.146 -1.935 1.843 108 HD2 TYR 13 2HD TYR 13 -0.889 -2.112 2.313 109 HE1 TYR 13 1HE TYR 13 -4.964 -3.495 -0.053 110 HE2 TYR 13 2HE TYR 13 -0.750 -3.623 0.430 111 HH TYR 13 HH TYR 13 -3.351 -4.285 -1.667 112 H ARG 14 HN ARG 14 -1.000 1.194 4.388 113 HA ARG 14 HA ARG 14 0.475 1.844 1.982 114 HB2 ARG 14 2HB ARG 14 0.611 3.371 3.916 115 HB3 ARG 14 1HB ARG 14 1.296 2.069 4.882 116 HG2 ARG 14 2HG ARG 14 3.220 1.968 3.386 117 HG3 ARG 14 1HG ARG 14 2.540 3.284 2.427 118 HD2 ARG 14 2HD ARG 14 3.269 3.426 5.333 119 HD3 ARG 14 1HD ARG 14 4.253 4.061 4.016 120 HE ARG 14 HE ARG 14 1.848 5.242 3.675 121 HH11 ARG 14 1HH1 ARG 14 4.083 5.036 6.400 122 HH12 ARG 14 2HH1 ARG 14 3.658 6.543 7.054 123 HH21 ARG 14 1HH2 ARG 14 1.274 7.330 4.545 124 HH22 ARG 14 2HH2 ARG 14 2.012 7.887 5.963 125 H LYS 15 HN LYS 15 1.638 0.409 1.033 126 HA LYS 15 HA LYS 15 2.377 -2.043 2.434 127 HB2 LYS 15 2HB LYS 15 0.930 -2.065 0.358 128 HB3 LYS 15 1HB LYS 15 2.298 -1.418 -0.520 129 HG2 LYS 15 2HG LYS 15 2.114 -3.750 -0.917 130 HG3 LYS 15 1HG LYS 15 3.574 -3.458 0.044 131 HD2 LYS 15 2HD LYS 15 2.459 -4.236 2.030 132 HD3 LYS 15 1HD LYS 15 0.916 -4.343 1.185 133 HE2 LYS 15 2HE LYS 15 1.926 -6.035 -0.317 134 HE3 LYS 15 1HE LYS 15 3.386 -5.998 0.666 135 HZ1 LYS 15 1HZ LYS 15 2.043 -6.723 2.562 136 HZ2 LYS 15 2HZ LYS 15 1.987 -7.818 1.299 137 HZ3 LYS 15 3HZ LYS 15 0.673 -6.785 1.570 138 H CYS 16 HN CYS 16 4.408 -1.804 3.218 139 HA CYS 16 HA CYS 16 6.306 -0.238 1.662 140 HB2 CYS 16 2HB CYS 16 6.379 -1.075 4.566 141 HB3 CYS 16 1HB CYS 16 7.668 -0.207 3.741 142 H ARG 17 HN ARG 17 7.700 -1.187 0.497 143 HA ARG 17 HA ARG 17 8.545 -3.931 1.134 144 HB2 ARG 17 2HB ARG 17 8.556 -2.544 -1.564 145 HB3 ARG 17 1HB ARG 17 8.983 -4.221 -1.257 146 HG2 ARG 17 2HG ARG 17 6.248 -2.996 -0.946 147 HG3 ARG 17 1HG ARG 17 6.779 -4.020 -2.284 148 HD2 ARG 17 2HD ARG 17 6.681 -4.848 0.606 149 HD3 ARG 17 1HD ARG 17 5.413 -5.196 -0.568 150 HE ARG 17 HE ARG 17 7.783 -6.148 -1.611 151 HH11 ARG 17 1HH1 ARG 17 5.853 -6.787 1.283 152 HH12 ARG 17 2HH1 ARG 17 6.166 -8.458 1.310 153 HH21 ARG 17 1HH2 ARG 17 8.257 -8.465 -1.553 154 HH22 ARG 17 2HH2 ARG 17 7.561 -9.426 -0.345 155 H GLY 18 HN GLY 18 10.444 -3.723 2.129 156 HA2 GLY 18 2HA GLY 18 12.639 -3.137 2.468 157 HA3 GLY 18 1HA GLY 18 12.595 -2.293 0.916 Start of MODEL 19 1 H1 ARG 1 HN ARG 1 12.297 -0.702 0.263 2 HA ARG 1 HA ARG 1 12.374 0.919 2.729 3 HB2 ARG 1 2HB ARG 1 14.613 0.585 1.593 4 HB3 ARG 1 1HB ARG 1 13.956 1.411 0.196 5 HG2 ARG 1 2HG ARG 1 13.634 3.432 1.533 6 HG3 ARG 1 1HG ARG 1 14.300 2.600 2.938 7 HD2 ARG 1 2HD ARG 1 15.741 3.118 0.340 8 HD3 ARG 1 1HD ARG 1 15.969 4.016 1.839 9 HE ARG 1 HE ARG 1 16.481 1.522 2.609 10 HH11 ARG 1 1HH1 ARG 1 17.670 3.369 -0.171 11 HH12 ARG 1 2HH1 ARG 1 19.185 2.595 -0.228 12 HH21 ARG 1 1HH2 ARG 1 18.585 0.460 2.544 13 HH22 ARG 1 2HH2 ARG 1 19.720 0.887 1.366 14 H TRP 2 HN TRP 2 10.682 0.147 0.082 15 HA TRP 2 HA TRP 2 9.872 2.853 -0.620 16 HB2 TRP 2 2HB TRP 2 10.617 1.511 -2.480 17 HB3 TRP 2 1HB TRP 2 9.564 0.191 -2.001 18 HD1 TRP 2 1HD TRP 2 8.674 3.911 -2.524 19 HE1 TRP 2 1HE TRP 2 6.760 4.021 -4.262 20 HE3 TRP 2 3HE TRP 2 8.343 -1.039 -3.652 21 HZ2 TRP 2 2HZ TRP 2 5.319 2.234 -5.886 22 HZ3 TRP 2 3HZ TRP 2 6.674 -1.765 -5.316 23 HH2 TRP 2 2HH TRP 2 5.201 -0.149 -6.403 24 H CYS 3 HN CYS 3 8.103 3.571 0.334 25 HA CYS 3 HA CYS 3 6.062 1.644 1.163 26 HB2 CYS 3 2HB CYS 3 6.680 4.390 2.277 27 HB3 CYS 3 1HB CYS 3 5.324 3.387 2.780 28 H PHE 4 HN PHE 4 4.292 1.637 0.062 29 HA PHE 4 HA PHE 4 3.490 4.032 -1.425 30 HB2 PHE 4 2HB PHE 4 2.775 2.473 -3.262 31 HB3 PHE 4 1HB PHE 4 4.517 2.556 -3.036 32 HD1 PHE 4 1HD PHE 4 5.701 0.679 -1.944 33 HD2 PHE 4 2HD PHE 4 1.580 0.430 -2.952 34 HE1 PHE 4 1HE PHE 4 5.800 -1.761 -1.717 35 HE2 PHE 4 2HE PHE 4 1.676 -2.018 -2.728 36 HZ PHE 4 HZ PHE 4 3.782 -3.115 -2.108 37 H ARG 5 HN ARG 5 1.178 4.094 -1.844 38 HA ARG 5 HA ARG 5 -0.283 2.525 0.149 39 HB2 ARG 5 2HB ARG 5 -0.486 4.899 0.605 40 HB3 ARG 5 1HB ARG 5 -0.962 5.216 -1.058 41 HG2 ARG 5 2HG ARG 5 -3.002 3.861 -0.706 42 HG3 ARG 5 1HG ARG 5 -2.530 3.642 0.978 43 HD2 ARG 5 2HD ARG 5 -2.952 6.322 -0.305 44 HD3 ARG 5 1HD ARG 5 -4.225 5.444 0.531 45 HE ARG 5 HE ARG 5 -2.335 5.515 2.385 46 HH11 ARG 5 1HH1 ARG 5 -3.460 8.102 0.267 47 HH12 ARG 5 2HH1 ARG 5 -3.334 9.332 1.421 48 HH21 ARG 5 1HH2 ARG 5 -2.160 7.193 4.007 49 HH22 ARG 5 2HH2 ARG 5 -2.562 8.797 3.602 50 H VAL 6 HN VAL 6 -1.686 1.136 -0.512 51 HA VAL 6 HA VAL 6 -2.579 1.265 -3.309 52 HB VAL 6 HB VAL 6 -2.535 -1.146 -1.460 53 HG11 VAL 6 1HG1 VAL 6 -4.346 -1.267 -3.063 54 HG12 VAL 6 2HG1 VAL 6 -3.094 -2.441 -3.466 55 HG13 VAL 6 3HG1 VAL 6 -3.229 -0.941 -4.387 56 HG21 VAL 6 1HG2 VAL 6 -0.757 -0.522 -3.815 57 HG22 VAL 6 2HG2 VAL 6 -0.766 -2.029 -2.898 58 HG23 VAL 6 3HG2 VAL 6 -0.275 -0.524 -2.118 59 H CYS 7 HN CYS 7 -4.708 1.565 -3.598 60 HA CYS 7 HA CYS 7 -6.464 1.122 -1.311 61 HB2 CYS 7 2HB CYS 7 -6.694 3.225 -3.474 62 HB3 CYS 7 1HB CYS 7 -7.905 2.923 -2.232 63 H TYR 8 HN TYR 8 -7.899 -0.364 -1.626 64 HA TYR 8 HA TYR 8 -8.740 -0.886 -4.357 65 HB2 TYR 8 2HB TYR 8 -8.700 -3.325 -3.984 66 HB3 TYR 8 1HB TYR 8 -7.116 -2.600 -3.727 67 HD1 TYR 8 1HD TYR 8 -6.251 -2.376 -1.440 68 HD2 TYR 8 2HD TYR 8 -9.800 -4.512 -2.237 69 HE1 TYR 8 1HE TYR 8 -6.062 -3.490 0.759 70 HE2 TYR 8 2HE TYR 8 -9.654 -5.631 -0.057 71 HH TYR 8 HH TYR 8 -7.459 -4.578 2.363 72 H ARG 9 HN ARG 9 -10.753 -0.355 -4.485 73 HA ARG 9 HA ARG 9 -12.967 -0.167 -4.107 74 HB2 ARG 9 2HB ARG 9 -12.863 -2.637 -3.942 75 HB3 ARG 9 1HB ARG 9 -12.487 -2.527 -2.238 76 HG2 ARG 9 2HG ARG 9 -14.684 -1.744 -1.730 77 HG3 ARG 9 1HG ARG 9 -15.074 -1.547 -3.433 78 HD2 ARG 9 2HD ARG 9 -16.078 -3.579 -2.440 79 HD3 ARG 9 1HD ARG 9 -14.983 -3.937 -3.769 80 HE ARG 9 HE ARG 9 -13.327 -4.562 -2.135 81 HH11 ARG 9 1HH1 ARG 9 -16.657 -4.353 -0.921 82 HH12 ARG 9 2HH1 ARG 9 -16.469 -5.556 0.257 83 HH21 ARG 9 1HH2 ARG 9 -13.066 -6.265 -0.485 84 HH22 ARG 9 2HH2 ARG 9 -14.392 -6.667 0.505 85 H GLY 10 HN GLY 10 -10.923 1.182 -2.419 86 HA2 GLY 10 2HA GLY 10 -11.551 3.105 -1.102 87 HA3 GLY 10 1HA GLY 10 -12.779 2.103 -0.337 88 H ILE 11 HN ILE 11 -10.597 -0.096 -0.270 89 HA ILE 11 HA ILE 11 -9.689 0.634 2.379 90 HB ILE 11 HB ILE 11 -9.082 -1.889 0.788 91 HG12 ILE 11 2HG1 ILE 11 -11.491 -1.673 1.230 92 HG13 ILE 11 1HG1 ILE 11 -10.798 -2.964 2.206 93 HG21 ILE 11 1HG2 ILE 11 -8.717 -1.289 3.729 94 HG22 ILE 11 2HG2 ILE 11 -7.431 -1.465 2.537 95 HG23 ILE 11 3HG2 ILE 11 -8.439 -2.851 2.960 96 HD11 ILE 11 1HD1 ILE 11 -12.394 -1.639 3.490 97 HD12 ILE 11 2HD1 ILE 11 -11.443 -0.183 3.162 98 HD13 ILE 11 3HD1 ILE 11 -10.760 -1.470 4.143 99 H CYS 12 HN CYS 12 -8.041 1.845 2.631 100 HA CYS 12 HA CYS 12 -5.895 1.779 0.660 101 HB2 CYS 12 2HB CYS 12 -6.905 3.876 2.525 102 HB3 CYS 12 1HB CYS 12 -5.373 4.062 1.657 103 H TYR 13 HN TYR 13 -3.941 1.157 1.282 104 HA TYR 13 HA TYR 13 -3.248 1.282 4.093 105 HB2 TYR 13 2HB TYR 13 -2.438 -1.033 4.158 106 HB3 TYR 13 1HB TYR 13 -4.154 -0.991 3.809 107 HD1 TYR 13 1HD TYR 13 -0.932 -2.140 2.727 108 HD2 TYR 13 2HD TYR 13 -4.893 -1.384 1.388 109 HE1 TYR 13 1HE TYR 13 -0.545 -3.586 0.776 110 HE2 TYR 13 2HE TYR 13 -4.516 -2.819 -0.556 111 HH TYR 13 HH TYR 13 -2.545 -3.665 -1.921 112 H ARG 14 HN ARG 14 -1.160 1.680 4.428 113 HA ARG 14 HA ARG 14 0.493 2.209 2.097 114 HB2 ARG 14 2HB ARG 14 0.333 3.875 3.968 115 HB3 ARG 14 1HB ARG 14 1.069 2.689 5.033 116 HG2 ARG 14 2HG ARG 14 2.772 4.196 4.381 117 HG3 ARG 14 1HG ARG 14 3.054 2.701 3.497 118 HD2 ARG 14 2HD ARG 14 3.361 4.605 2.026 119 HD3 ARG 14 1HD ARG 14 1.948 3.687 1.524 120 HE ARG 14 HE ARG 14 1.047 5.652 3.239 121 HH11 ARG 14 1HH1 ARG 14 2.688 5.592 0.073 122 HH12 ARG 14 2HH1 ARG 14 2.016 7.078 -0.425 123 HH21 ARG 14 1HH2 ARG 14 0.160 7.701 2.509 124 HH22 ARG 14 2HH2 ARG 14 0.565 8.292 0.976 125 H LYS 15 HN LYS 15 1.608 0.556 1.387 126 HA LYS 15 HA LYS 15 2.447 -1.513 3.274 127 HB2 LYS 15 2HB LYS 15 0.934 -2.157 1.386 128 HB3 LYS 15 1HB LYS 15 2.176 -1.637 0.265 129 HG2 LYS 15 2HG LYS 15 2.161 -4.056 0.510 130 HG3 LYS 15 1HG LYS 15 3.676 -3.370 1.098 131 HD2 LYS 15 2HD LYS 15 2.968 -3.596 3.379 132 HD3 LYS 15 1HD LYS 15 1.343 -4.062 2.878 133 HE2 LYS 15 2HE LYS 15 3.867 -5.626 2.327 134 HE3 LYS 15 1HE LYS 15 2.723 -5.977 3.622 135 HZ1 LYS 15 1HZ LYS 15 2.315 -7.401 1.739 136 HZ2 LYS 15 2HZ LYS 15 2.131 -6.092 0.697 137 HZ3 LYS 15 3HZ LYS 15 1.018 -6.359 1.935 138 H CYS 16 HN CYS 16 4.601 -1.764 3.562 139 HA CYS 16 HA CYS 16 6.307 -0.216 1.786 140 HB2 CYS 16 2HB CYS 16 6.846 -1.193 4.591 141 HB3 CYS 16 1HB CYS 16 7.972 -0.275 3.596 142 H ARG 17 HN ARG 17 7.737 -1.132 0.631 143 HA ARG 17 HA ARG 17 8.260 -3.981 0.973 144 HB2 ARG 17 2HB ARG 17 6.759 -3.604 -0.939 145 HB3 ARG 17 1HB ARG 17 7.859 -2.404 -1.585 146 HG2 ARG 17 2HG ARG 17 9.484 -4.084 -2.089 147 HG3 ARG 17 1HG ARG 17 8.524 -5.321 -1.268 148 HD2 ARG 17 2HD ARG 17 6.756 -5.074 -2.896 149 HD3 ARG 17 1HD ARG 17 7.602 -3.736 -3.668 150 HE ARG 17 HE ARG 17 9.410 -5.565 -3.981 151 HH11 ARG 17 1HH1 ARG 17 5.914 -6.071 -4.308 152 HH12 ARG 17 2HH1 ARG 17 6.067 -7.257 -5.519 153 HH21 ARG 17 1HH2 ARG 17 9.610 -7.157 -5.642 154 HH22 ARG 17 2HH2 ARG 17 8.230 -7.888 -6.306 155 H GLY 18 HN GLY 18 10.122 -3.675 2.049 156 HA2 GLY 18 2HA GLY 18 12.429 -3.572 2.082 157 HA3 GLY 18 1HA GLY 18 12.397 -2.847 0.479 Start of MODEL 20 1 H1 ARG 1 HN ARG 1 12.800 0.199 0.438 2 HA ARG 1 HA ARG 1 12.292 1.709 2.912 3 HB2 ARG 1 2HB ARG 1 14.130 2.392 0.622 4 HB3 ARG 1 1HB ARG 1 13.720 3.508 1.916 5 HG2 ARG 1 2HG ARG 1 14.770 1.966 3.520 6 HG3 ARG 1 1HG ARG 1 15.198 0.898 2.179 7 HD2 ARG 1 2HD ARG 1 16.528 2.655 1.173 8 HD3 ARG 1 1HD ARG 1 16.050 3.771 2.449 9 HE ARG 1 HE ARG 1 17.366 1.358 3.326 10 HH11 ARG 1 1HH1 ARG 1 17.798 4.720 2.311 11 HH12 ARG 1 2HH1 ARG 1 19.240 4.945 3.183 12 HH21 ARG 1 1HH2 ARG 1 19.344 1.644 4.490 13 HH22 ARG 1 2HH2 ARG 1 20.166 3.139 4.450 14 H TRP 2 HN TRP 2 10.875 0.723 0.272 15 HA TRP 2 HA TRP 2 9.645 3.316 -0.467 16 HB2 TRP 2 2HB TRP 2 10.879 2.000 -2.240 17 HB3 TRP 2 1HB TRP 2 9.649 0.768 -2.023 18 HD1 TRP 2 1HD TRP 2 7.322 1.206 -2.870 19 HE1 TRP 2 1HE TRP 2 6.271 2.949 -4.516 20 HE3 TRP 2 3HE TRP 2 11.114 4.531 -2.922 21 HZ2 TRP 2 2HZ TRP 2 7.027 5.445 -5.622 22 HZ3 TRP 2 3HZ TRP 2 10.903 6.579 -4.266 23 HH2 TRP 2 2HH TRP 2 8.903 7.021 -5.580 24 H CYS 3 HN CYS 3 7.646 3.646 -0.025 25 HA CYS 3 HA CYS 3 6.038 1.330 0.732 26 HB2 CYS 3 2HB CYS 3 5.908 4.131 1.853 27 HB3 CYS 3 1HB CYS 3 4.823 2.810 2.270 28 H PHE 4 HN PHE 4 4.096 1.144 -0.171 29 HA PHE 4 HA PHE 4 3.159 3.328 -1.828 30 HB2 PHE 4 2HB PHE 4 2.420 1.614 -3.529 31 HB3 PHE 4 1HB PHE 4 4.158 1.812 -3.406 32 HD1 PHE 4 1HD PHE 4 5.531 0.038 -2.370 33 HD2 PHE 4 2HD PHE 4 1.349 -0.449 -2.996 34 HE1 PHE 4 1HE PHE 4 5.776 -2.396 -2.089 35 HE2 PHE 4 2HE PHE 4 1.589 -2.874 -2.709 36 HZ PHE 4 HZ PHE 4 3.805 -3.850 -2.255 37 H ARG 5 HN ARG 5 0.888 3.277 -2.180 38 HA ARG 5 HA ARG 5 -0.446 2.129 0.157 39 HB2 ARG 5 2HB ARG 5 -0.369 4.554 0.114 40 HB3 ARG 5 1HB ARG 5 -1.095 4.565 -1.484 41 HG2 ARG 5 2HG ARG 5 -3.123 3.548 -0.537 42 HG3 ARG 5 1HG ARG 5 -2.389 3.640 1.067 43 HD2 ARG 5 2HD ARG 5 -2.866 5.979 -0.757 44 HD3 ARG 5 1HD ARG 5 -3.912 5.521 0.584 45 HE ARG 5 HE ARG 5 -1.705 5.795 1.900 46 HH11 ARG 5 1HH1 ARG 5 -2.795 7.845 -0.768 47 HH12 ARG 5 2HH1 ARG 5 -2.051 9.257 -0.175 48 HH21 ARG 5 1HH2 ARG 5 -0.738 7.734 2.748 49 HH22 ARG 5 2HH2 ARG 5 -0.842 9.192 1.881 50 H VAL 6 HN VAL 6 -1.611 0.433 -0.343 51 HA VAL 6 HA VAL 6 -2.687 0.159 -3.026 52 HB VAL 6 HB VAL 6 -2.800 -1.790 -0.701 53 HG11 VAL 6 1HG1 VAL 6 -3.395 -3.448 -2.420 54 HG12 VAL 6 2HG1 VAL 6 -3.434 -2.160 -3.625 55 HG13 VAL 6 3HG1 VAL 6 -4.588 -2.157 -2.294 56 HG21 VAL 6 1HG2 VAL 6 -0.496 -1.424 -1.416 57 HG22 VAL 6 2HG2 VAL 6 -0.951 -1.750 -3.088 58 HG23 VAL 6 3HG2 VAL 6 -1.043 -3.034 -1.884 59 H CYS 7 HN CYS 7 -4.591 1.019 -3.383 60 HA CYS 7 HA CYS 7 -6.549 1.037 -1.203 61 HB2 CYS 7 2HB CYS 7 -6.330 2.873 -3.599 62 HB3 CYS 7 1HB CYS 7 -7.614 2.912 -2.400 63 H TYR 8 HN TYR 8 -8.123 -0.320 -1.460 64 HA TYR 8 HA TYR 8 -8.966 -0.824 -4.191 65 HB2 TYR 8 2HB TYR 8 -9.363 -3.171 -3.742 66 HB3 TYR 8 1HB TYR 8 -7.727 -2.774 -3.237 67 HD1 TYR 8 1HD TYR 8 -10.935 -4.019 -2.227 68 HD2 TYR 8 2HD TYR 8 -7.211 -2.597 -0.815 69 HE1 TYR 8 1HE TYR 8 -11.402 -5.032 -0.054 70 HE2 TYR 8 2HE TYR 8 -7.654 -3.611 1.394 71 HH TYR 8 HH TYR 8 -9.473 -4.377 2.714 72 H ARG 9 HN ARG 9 -10.803 0.058 -4.481 73 HA ARG 9 HA ARG 9 -12.919 0.791 -4.272 74 HB2 ARG 9 2HB ARG 9 -13.209 -1.312 -2.112 75 HB3 ARG 9 1HB ARG 9 -14.509 -0.566 -3.030 76 HG2 ARG 9 2HG ARG 9 -13.560 -1.590 -5.095 77 HG3 ARG 9 1HG ARG 9 -12.384 -2.421 -4.082 78 HD2 ARG 9 2HD ARG 9 -14.276 -3.426 -2.823 79 HD3 ARG 9 1HD ARG 9 -15.374 -2.711 -3.999 80 HE ARG 9 HE ARG 9 -13.245 -4.471 -4.930 81 HH11 ARG 9 1HH1 ARG 9 -16.723 -3.890 -4.579 82 HH12 ARG 9 2HH1 ARG 9 -17.195 -5.312 -5.376 83 HH21 ARG 9 1HH2 ARG 9 -13.893 -6.453 -6.015 84 HH22 ARG 9 2HH2 ARG 9 -15.541 -6.808 -6.197 85 H GLY 10 HN GLY 10 -10.794 1.919 -2.614 86 HA2 GLY 10 2HA GLY 10 -11.043 3.963 -1.396 87 HA3 GLY 10 1HA GLY 10 -12.518 3.318 -0.688 88 H ILE 11 HN ILE 11 -10.811 0.712 -0.395 89 HA ILE 11 HA ILE 11 -9.938 1.449 2.257 90 HB ILE 11 HB ILE 11 -10.037 -1.298 0.962 91 HG12 ILE 11 2HG1 ILE 11 -12.274 -0.359 1.258 92 HG13 ILE 11 1HG1 ILE 11 -12.009 -1.664 2.406 93 HG21 ILE 11 1HG2 ILE 11 -9.555 -0.516 3.844 94 HG22 ILE 11 2HG2 ILE 11 -8.360 -1.199 2.740 95 HG23 ILE 11 3HG2 ILE 11 -9.751 -2.163 3.244 96 HD11 ILE 11 1HD1 ILE 11 -11.568 -0.009 4.162 97 HD12 ILE 11 2HD1 ILE 11 -13.175 0.187 3.459 98 HD13 ILE 11 3HD1 ILE 11 -11.869 1.285 3.006 99 H CYS 12 HN CYS 12 -8.152 2.369 2.315 100 HA CYS 12 HA CYS 12 -5.898 1.565 0.628 101 HB2 CYS 12 2HB CYS 12 -6.436 3.984 2.295 102 HB3 CYS 12 1HB CYS 12 -4.954 3.733 1.359 103 H TYR 13 HN TYR 13 -4.151 0.640 1.455 104 HA TYR 13 HA TYR 13 -3.478 1.026 4.239 105 HB2 TYR 13 2HB TYR 13 -2.913 -1.400 4.494 106 HB3 TYR 13 1HB TYR 13 -4.631 -1.114 4.289 107 HD1 TYR 13 1HD TYR 13 -1.667 -2.696 2.933 108 HD2 TYR 13 2HD TYR 13 -5.732 -1.742 2.119 109 HE1 TYR 13 1HE TYR 13 -1.705 -4.379 1.139 110 HE2 TYR 13 2HE TYR 13 -5.770 -3.429 0.337 111 HH TYR 13 HH TYR 13 -3.445 -5.787 -0.036 112 H ARG 14 HN ARG 14 -1.202 0.719 4.643 113 HA ARG 14 HA ARG 14 0.319 1.382 2.237 114 HB2 ARG 14 2HB ARG 14 0.322 2.993 4.124 115 HB3 ARG 14 1HB ARG 14 1.060 1.764 5.135 116 HG2 ARG 14 2HG ARG 14 3.009 1.721 3.626 117 HG3 ARG 14 1HG ARG 14 2.276 3.012 2.678 118 HD2 ARG 14 2HD ARG 14 3.080 3.168 5.587 119 HD3 ARG 14 1HD ARG 14 3.948 3.888 4.235 120 HE ARG 14 HE ARG 14 1.186 4.707 4.595 121 HH11 ARG 14 1HH1 ARG 14 4.609 5.526 5.205 122 HH12 ARG 14 2HH1 ARG 14 4.289 7.162 5.503 123 HH21 ARG 14 1HH2 ARG 14 0.781 6.956 5.048 124 HH22 ARG 14 2HH2 ARG 14 2.067 8.008 5.395 125 H LYS 15 HN LYS 15 1.597 -0.068 1.391 126 HA LYS 15 HA LYS 15 2.758 -2.130 3.113 127 HB2 LYS 15 2HB LYS 15 2.135 -2.167 0.156 128 HB3 LYS 15 1HB LYS 15 3.203 -3.341 0.909 129 HG2 LYS 15 2HG LYS 15 0.303 -2.906 1.602 130 HG3 LYS 15 1HG LYS 15 0.946 -4.197 0.583 131 HD2 LYS 15 2HD LYS 15 2.294 -5.000 2.484 132 HD3 LYS 15 1HD LYS 15 1.586 -3.749 3.502 133 HE2 LYS 15 2HE LYS 15 0.433 -5.811 3.922 134 HE3 LYS 15 1HE LYS 15 -0.646 -4.724 3.061 135 HZ1 LYS 15 1HZ LYS 15 0.860 -6.993 1.858 136 HZ2 LYS 15 2HZ LYS 15 -0.140 -5.966 0.994 137 HZ3 LYS 15 3HZ LYS 15 -0.779 -6.960 2.200 138 H CYS 16 HN CYS 16 4.905 -2.258 3.255 139 HA CYS 16 HA CYS 16 6.441 -0.361 1.654 140 HB2 CYS 16 2HB CYS 16 6.855 -1.170 4.536 141 HB3 CYS 16 1HB CYS 16 7.958 -0.167 3.604 142 H ARG 17 HN ARG 17 8.157 -1.119 0.627 143 HA ARG 17 HA ARG 17 9.166 -3.728 1.415 144 HB2 ARG 17 2HB ARG 17 7.757 -3.996 -0.613 145 HB3 ARG 17 1HB ARG 17 8.750 -2.802 -1.437 146 HG2 ARG 17 2HG ARG 17 10.676 -4.227 -1.293 147 HG3 ARG 17 1HG ARG 17 9.776 -5.401 -0.334 148 HD2 ARG 17 2HD ARG 17 8.255 -5.750 -2.225 149 HD3 ARG 17 1HD ARG 17 9.194 -4.604 -3.179 150 HE ARG 17 HE ARG 17 11.107 -6.171 -2.713 151 HH11 ARG 17 1HH1 ARG 17 7.772 -7.337 -2.928 152 HH12 ARG 17 2HH1 ARG 17 8.169 -8.836 -3.604 153 HH21 ARG 17 1HH2 ARG 17 11.681 -8.276 -3.631 154 HH22 ARG 17 2HH2 ARG 17 10.455 -9.379 -4.033 155 H GLY 18 HN GLY 18 11.067 -3.288 2.187 156 HA2 GLY 18 2HA GLY 18 13.277 -2.641 2.176 157 HA3 GLY 18 1HA GLY 18 13.016 -1.917 0.588
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