NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641541 | 6pin | 30619 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HN LYS 1 11.651 -0.235 1.731 2 HA LYS 1 HA LYS 1 11.690 2.225 3.374 3 HB2 LYS 1 2HB LYS 1 13.400 1.569 0.989 4 HB3 LYS 1 1HB LYS 1 13.506 3.018 1.978 5 HG2 LYS 1 2HG LYS 1 14.070 1.574 3.903 6 HG3 LYS 1 1HG LYS 1 14.121 0.208 2.806 7 HD2 LYS 1 2HD LYS 1 15.849 2.672 2.545 8 HD3 LYS 1 1HD LYS 1 16.372 1.129 3.214 9 HE2 LYS 1 2HE LYS 1 15.918 0.045 1.060 10 HE3 LYS 1 1HE LYS 1 15.371 1.585 0.415 11 HZ1 LYS 1 1HZ LYS 1 17.632 1.081 -0.233 12 HZ2 LYS 1 2HZ LYS 1 18.124 1.047 1.387 13 HZ3 LYS 1 3HZ LYS 1 17.569 2.479 0.692 14 H TRP 2 HN TRP 2 10.615 0.657 0.566 15 HA TRP 2 HA TRP 2 9.907 3.125 -0.774 16 HB2 TRP 2 2HB TRP 2 10.808 1.226 -2.097 17 HB3 TRP 2 1HB TRP 2 9.405 0.272 -1.635 18 HD1 TRP 2 1HD TRP 2 9.522 3.907 -3.016 19 HE1 TRP 2 1HE TRP 2 8.049 4.010 -5.111 20 HE3 TRP 2 3HE TRP 2 8.189 -1.022 -3.311 21 HZ2 TRP 2 2HZ TRP 2 6.528 2.245 -6.693 22 HZ3 TRP 2 3HZ TRP 2 6.725 -1.729 -5.162 23 HH2 TRP 2 2HH TRP 2 5.919 -0.124 -6.815 24 H CYS 3 HN CYS 3 8.068 4.087 -0.613 25 HA CYS 3 HA CYS 3 5.871 2.695 0.735 26 HB2 CYS 3 2HB CYS 3 6.496 5.644 0.563 27 HB3 CYS 3 1HB CYS 3 5.151 4.914 1.443 28 H PHE 4 HN PHE 4 4.096 2.340 -0.411 29 HA PHE 4 HA PHE 4 3.604 4.006 -2.725 30 HB2 PHE 4 2HB PHE 4 3.195 2.041 -4.174 31 HB3 PHE 4 1HB PHE 4 4.868 2.176 -3.664 32 HD1 PHE 4 1HD PHE 4 5.721 0.619 -1.892 33 HD2 PHE 4 2HD PHE 4 1.908 0.127 -3.706 34 HE1 PHE 4 1HE PHE 4 5.666 -1.719 -1.139 35 HE2 PHE 4 2HE PHE 4 1.852 -2.215 -2.953 36 HZ PHE 4 HZ PHE 4 3.731 -3.138 -1.670 37 H ARG 5 HN ARG 5 1.510 3.697 -3.649 38 HA ARG 5 HA ARG 5 -0.540 3.522 -1.627 39 HB2 ARG 5 2HB ARG 5 -0.617 5.306 -3.272 40 HB3 ARG 5 1HB ARG 5 -0.587 4.138 -4.583 41 HG2 ARG 5 2HG ARG 5 -2.785 3.317 -3.900 42 HG3 ARG 5 1HG ARG 5 -2.807 4.489 -2.582 43 HD2 ARG 5 2HD ARG 5 -2.741 6.310 -4.134 44 HD3 ARG 5 1HD ARG 5 -2.554 5.192 -5.493 45 HE ARG 5 HE ARG 5 -4.797 4.326 -4.658 46 HH11 ARG 5 1HH1 ARG 5 -3.850 7.757 -4.668 47 HH12 ARG 5 2HH1 ARG 5 -5.442 8.340 -4.775 48 HH21 ARG 5 1HH2 ARG 5 -6.975 5.144 -4.836 49 HH22 ARG 5 2HH2 ARG 5 -7.268 6.819 -4.881 50 H VAL 6 HN VAL 6 -1.727 1.767 -1.242 51 HA VAL 6 HA VAL 6 -1.592 -0.447 -3.163 52 HB VAL 6 HB VAL 6 -2.160 -0.645 -0.196 53 HG11 VAL 6 1HG1 VAL 6 -1.736 -3.040 -0.506 54 HG12 VAL 6 2HG1 VAL 6 -1.491 -2.765 -2.231 55 HG13 VAL 6 3HG1 VAL 6 -3.071 -2.466 -1.507 56 HG21 VAL 6 1HG2 VAL 6 0.114 -1.543 0.086 57 HG22 VAL 6 2HG2 VAL 6 0.131 0.132 -0.465 58 HG23 VAL 6 3HG2 VAL 6 0.457 -1.172 -1.603 59 H CYS 7 HN CYS 7 -3.464 -0.667 -4.173 60 HA CYS 7 HA CYS 7 -5.856 0.132 -2.730 61 HB2 CYS 7 2HB CYS 7 -5.352 0.025 -5.704 62 HB3 CYS 7 1HB CYS 7 -6.908 0.375 -4.950 63 H TYR 8 HN TYR 8 -6.939 -1.382 -1.994 64 HA TYR 8 HA TYR 8 -6.879 -4.019 -3.254 65 HB2 TYR 8 2HB TYR 8 -5.792 -4.001 -1.070 66 HB3 TYR 8 1HB TYR 8 -7.183 -3.158 -0.402 67 HD1 TYR 8 1HD TYR 8 -6.259 -6.405 -2.007 68 HD2 TYR 8 2HD TYR 8 -8.862 -4.324 0.632 69 HE1 TYR 8 1HE TYR 8 -7.292 -8.528 -1.359 70 HE2 TYR 8 2HE TYR 8 -9.897 -6.419 1.290 71 HH TYR 8 HH TYR 8 -8.585 -9.419 0.604 72 H ARG 9 HN ARG 9 -8.606 -3.910 -4.467 73 HA ARG 9 HA ARG 9 -10.734 -3.782 -5.193 74 HB2 ARG 9 2HB ARG 9 -11.188 -4.701 -2.368 75 HB3 ARG 9 1HB ARG 9 -12.520 -4.488 -3.496 76 HG2 ARG 9 2HG ARG 9 -11.439 -6.079 -5.034 77 HG3 ARG 9 1HG ARG 9 -10.169 -6.332 -3.837 78 HD2 ARG 9 2HD ARG 9 -13.086 -6.772 -3.269 79 HD3 ARG 9 1HD ARG 9 -12.024 -8.035 -3.876 80 HE ARG 9 HE ARG 9 -10.669 -7.617 -1.834 81 HH11 ARG 9 1HH1 ARG 9 -14.153 -6.859 -1.787 82 HH12 ARG 9 2HH1 ARG 9 -14.331 -7.206 -0.144 83 HH21 ARG 9 1HH2 ARG 9 -10.978 -8.165 0.435 84 HH22 ARG 9 2HH2 ARG 9 -12.503 -7.956 1.148 85 H GLY 10 HN GLY 10 -9.665 -1.363 -4.595 86 HA2 GLY 10 2HA GLY 10 -10.685 0.713 -4.984 87 HA3 GLY 10 1HA GLY 10 -12.143 0.131 -4.195 88 H ILE 11 HN ILE 11 -10.151 -0.921 -2.062 89 HA ILE 11 HA ILE 11 -10.214 1.486 -0.440 90 HB ILE 11 HB ILE 11 -9.347 -1.341 0.247 91 HG12 ILE 11 2HG1 ILE 11 -11.951 0.065 0.890 92 HG13 ILE 11 1HG1 ILE 11 -11.750 -1.171 -0.348 93 HG21 ILE 11 1HG2 ILE 11 -8.315 0.300 1.711 94 HG22 ILE 11 2HG2 ILE 11 -9.535 -0.617 2.597 95 HG23 ILE 11 3HG2 ILE 11 -9.887 1.022 2.050 96 HD11 ILE 11 1HD1 ILE 11 -11.134 -2.785 1.379 97 HD12 ILE 11 2HD1 ILE 11 -12.733 -2.096 1.667 98 HD13 ILE 11 3HD1 ILE 11 -11.348 -1.538 2.609 99 H CYS 12 HN CYS 12 -8.510 2.786 -0.746 100 HA CYS 12 HA CYS 12 -5.925 1.510 -1.257 101 HB2 CYS 12 2HB CYS 12 -6.614 4.398 -1.763 102 HB3 CYS 12 1HB CYS 12 -5.165 3.552 -2.220 103 H TYR 13 HN TYR 13 -4.328 1.730 0.027 104 HA TYR 13 HA TYR 13 -4.243 3.832 2.010 105 HB2 TYR 13 2HB TYR 13 -3.374 1.988 3.652 106 HB3 TYR 13 1HB TYR 13 -5.107 2.168 3.436 107 HD1 TYR 13 1HD TYR 13 -2.190 0.104 2.360 108 HD2 TYR 13 2HD TYR 13 -6.411 0.346 2.750 109 HE1 TYR 13 1HE TYR 13 -2.367 -2.270 1.814 110 HE2 TYR 13 2HE TYR 13 -6.609 -2.030 2.198 111 HH TYR 13 HH TYR 13 -5.267 -3.744 0.976 112 H ARG 14 HN ARG 14 -2.059 4.243 2.709 113 HA ARG 14 HA ARG 14 -0.178 3.395 0.641 114 HB2 ARG 14 2HB ARG 14 -0.542 5.823 0.861 115 HB3 ARG 14 1HB ARG 14 -0.059 5.743 2.542 116 HG2 ARG 14 2HG ARG 14 1.864 4.875 0.419 117 HG3 ARG 14 1HG ARG 14 1.603 6.592 0.711 118 HD2 ARG 14 2HD ARG 14 2.498 4.559 2.765 119 HD3 ARG 14 1HD ARG 14 3.512 5.776 1.977 120 HE ARG 14 HE ARG 14 1.253 6.916 3.197 121 HH11 ARG 14 1HH1 ARG 14 4.481 5.642 4.053 122 HH12 ARG 14 2HH1 ARG 14 4.655 6.717 5.361 123 HH21 ARG 14 1HH2 ARG 14 1.562 8.330 4.994 124 HH22 ARG 14 2HH2 ARG 14 2.991 8.238 5.926 125 H ARG 15 HN ARG 15 1.385 2.044 1.072 126 HA ARG 15 HA ARG 15 1.981 1.493 3.895 127 HB2 ARG 15 2HB ARG 15 1.668 -0.451 1.613 128 HB3 ARG 15 1HB ARG 15 2.337 -0.887 3.190 129 HG2 ARG 15 2HG ARG 15 -0.369 0.241 2.688 130 HG3 ARG 15 1HG ARG 15 -0.052 -1.498 2.812 131 HD2 ARG 15 2HD ARG 15 0.446 0.575 4.959 132 HD3 ARG 15 1HD ARG 15 -0.933 -0.518 4.904 133 HE ARG 15 HE ARG 15 1.264 -2.127 4.789 134 HH11 ARG 15 1HH1 ARG 15 0.186 0.350 7.061 135 HH12 ARG 15 2HH1 ARG 15 0.772 -0.455 8.435 136 HH21 ARG 15 1HH2 ARG 15 2.109 -3.224 6.704 137 HH22 ARG 15 2HH2 ARG 15 1.870 -2.494 8.227 138 H CYS 16 HN CYS 16 4.075 1.051 4.373 139 HA CYS 16 HA CYS 16 5.986 1.550 2.234 140 HB2 CYS 16 2HB CYS 16 6.286 1.859 5.222 141 HB3 CYS 16 1HB CYS 16 7.568 2.117 4.045 142 H ARG 17 HN ARG 17 6.817 -0.157 1.447 143 HA ARG 17 HA ARG 17 7.041 -2.532 3.122 144 HB2 ARG 17 2HB ARG 17 5.811 -2.732 0.951 145 HB3 ARG 17 1HB ARG 17 7.271 -2.223 0.119 146 HG2 ARG 17 2HG ARG 17 6.986 -4.610 -0.050 147 HG3 ARG 17 1HG ARG 17 8.416 -4.230 0.911 148 HD2 ARG 17 2HD ARG 17 7.158 -4.655 2.959 149 HD3 ARG 17 1HD ARG 17 5.708 -4.992 2.010 150 HE ARG 17 HE ARG 17 7.642 -6.657 1.045 151 HH11 ARG 17 1HH1 ARG 17 6.108 -6.182 4.218 152 HH12 ARG 17 2HH1 ARG 17 6.318 -7.798 4.705 153 HH21 ARG 17 1HH2 ARG 17 7.905 -8.889 1.751 154 HH22 ARG 17 2HH2 ARG 17 7.363 -9.365 3.292 155 H GLY 18 HN GLY 18 8.860 -2.077 4.218 156 HA2 GLY 18 2HA GLY 18 11.158 -2.132 4.496 157 HA3 GLY 18 1HA GLY 18 11.341 -2.099 2.741 Start of MODEL 2 1 H1 LYS 1 HN LYS 1 12.674 0.579 1.541 2 HA LYS 1 HA LYS 1 12.321 3.161 2.886 3 HB2 LYS 1 2HB LYS 1 13.736 2.588 0.287 4 HB3 LYS 1 1HB LYS 1 13.860 4.040 1.271 5 HG2 LYS 1 2HG LYS 1 14.816 2.632 3.069 6 HG3 LYS 1 1HG LYS 1 14.846 1.297 1.931 7 HD2 LYS 1 2HD LYS 1 16.255 2.624 0.408 8 HD3 LYS 1 1HD LYS 1 16.297 3.916 1.609 9 HE2 LYS 1 2HE LYS 1 17.357 1.110 1.943 10 HE3 LYS 1 1HE LYS 1 18.307 2.580 1.734 11 HZ1 LYS 1 1HZ LYS 1 16.533 2.000 4.045 12 HZ2 LYS 1 2HZ LYS 1 17.480 3.380 3.859 13 HZ3 LYS 1 3HZ LYS 1 18.209 1.876 4.035 14 H TRP 2 HN TRP 2 10.712 1.246 0.799 15 HA TRP 2 HA TRP 2 9.675 3.471 -0.809 16 HB2 TRP 2 2HB TRP 2 10.658 1.631 -2.109 17 HB3 TRP 2 1HB TRP 2 9.551 0.501 -1.350 18 HD1 TRP 2 1HD TRP 2 8.677 3.925 -2.961 19 HE1 TRP 2 1HE TRP 2 6.944 3.509 -4.805 20 HE3 TRP 2 3HE TRP 2 8.512 -1.182 -2.794 21 HZ2 TRP 2 2HZ TRP 2 5.693 1.316 -6.062 22 HZ3 TRP 2 3HZ TRP 2 7.020 -2.366 -4.374 23 HH2 TRP 2 2HH TRP 2 5.649 -1.135 -5.967 24 H CYS 3 HN CYS 3 7.693 4.160 -0.511 25 HA CYS 3 HA CYS 3 5.817 2.455 0.923 26 HB2 CYS 3 2HB CYS 3 5.870 5.469 0.619 27 HB3 CYS 3 1HB CYS 3 4.597 4.564 1.427 28 H PHE 4 HN PHE 4 4.082 1.832 -0.114 29 HA PHE 4 HA PHE 4 3.660 2.929 -2.771 30 HB2 PHE 4 2HB PHE 4 3.115 0.569 -3.494 31 HB3 PHE 4 1HB PHE 4 4.811 0.899 -3.174 32 HD1 PHE 4 1HD PHE 4 1.854 -0.934 -2.109 33 HD2 PHE 4 2HD PHE 4 5.910 -0.051 -1.230 34 HE1 PHE 4 1HE PHE 4 1.924 -2.829 -0.528 35 HE2 PHE 4 2HE PHE 4 5.984 -1.925 0.344 36 HZ PHE 4 HZ PHE 4 3.991 -3.321 0.700 37 H ARG 5 HN ARG 5 1.624 2.606 -3.611 38 HA ARG 5 HA ARG 5 -0.494 2.871 -1.655 39 HB2 ARG 5 2HB ARG 5 -0.308 4.500 -3.438 40 HB3 ARG 5 1HB ARG 5 -0.354 3.223 -4.640 41 HG2 ARG 5 2HG ARG 5 -2.650 2.705 -4.010 42 HG3 ARG 5 1HG ARG 5 -2.604 3.986 -2.792 43 HD2 ARG 5 2HD ARG 5 -2.131 5.613 -4.502 44 HD3 ARG 5 1HD ARG 5 -2.139 4.341 -5.722 45 HE ARG 5 HE ARG 5 -4.543 4.032 -4.832 46 HH11 ARG 5 1HH1 ARG 5 -2.858 7.094 -5.304 47 HH12 ARG 5 2HH1 ARG 5 -4.224 7.974 -5.789 48 HH21 ARG 5 1HH2 ARG 5 -6.509 5.274 -5.517 49 HH22 ARG 5 2HH2 ARG 5 -6.341 6.909 -5.890 50 H VAL 6 HN VAL 6 -1.731 1.219 -1.177 51 HA VAL 6 HA VAL 6 -1.769 -1.091 -2.994 52 HB VAL 6 HB VAL 6 -2.585 -1.100 -0.089 53 HG11 VAL 6 1HG1 VAL 6 -1.805 -3.330 -1.949 54 HG12 VAL 6 2HG1 VAL 6 -3.438 -2.923 -1.423 55 HG13 VAL 6 3HG1 VAL 6 -2.257 -3.510 -0.253 56 HG21 VAL 6 1HG2 VAL 6 0.119 -1.817 -1.190 57 HG22 VAL 6 2HG2 VAL 6 -0.413 -2.073 0.473 58 HG23 VAL 6 3HG2 VAL 6 -0.248 -0.435 -0.162 59 H CYS 7 HN CYS 7 -3.623 -1.120 -4.112 60 HA CYS 7 HA CYS 7 -5.967 0.001 -2.787 61 HB2 CYS 7 2HB CYS 7 -5.421 -0.325 -5.733 62 HB3 CYS 7 1HB CYS 7 -6.918 0.284 -5.036 63 H TYR 8 HN TYR 8 -7.387 -1.306 -2.108 64 HA TYR 8 HA TYR 8 -7.631 -3.898 -3.406 65 HB2 TYR 8 2HB TYR 8 -6.490 -3.980 -1.150 66 HB3 TYR 8 1HB TYR 8 -7.969 -3.328 -0.456 67 HD1 TYR 8 1HD TYR 8 -6.585 -6.229 -2.310 68 HD2 TYR 8 2HD TYR 8 -9.755 -4.770 0.124 69 HE1 TYR 8 1HE TYR 8 -7.441 -8.508 -2.077 70 HE2 TYR 8 2HE TYR 8 -10.619 -7.054 0.364 71 HH TYR 8 HH TYR 8 -8.866 -9.777 -0.419 72 H ARG 9 HN ARG 9 -9.338 -3.495 -4.559 73 HA ARG 9 HA ARG 9 -11.482 -3.361 -5.177 74 HB2 ARG 9 2HB ARG 9 -12.118 -3.484 -2.224 75 HB3 ARG 9 1HB ARG 9 -13.257 -3.764 -3.535 76 HG2 ARG 9 2HG ARG 9 -11.926 -5.718 -4.242 77 HG3 ARG 9 1HG ARG 9 -10.844 -5.441 -2.878 78 HD2 ARG 9 2HD ARG 9 -12.791 -5.659 -1.364 79 HD3 ARG 9 1HD ARG 9 -13.770 -6.086 -2.766 80 HE ARG 9 HE ARG 9 -11.535 -7.749 -2.664 81 HH11 ARG 9 1HH1 ARG 9 -14.642 -7.239 -1.016 82 HH12 ARG 9 2HH1 ARG 9 -14.687 -8.801 -0.349 83 HH21 ARG 9 1HH2 ARG 9 -11.606 -9.887 -1.687 84 HH22 ARG 9 2HH2 ARG 9 -12.947 -10.332 -0.734 85 H GLY 10 HN GLY 10 -9.976 -0.998 -4.780 86 HA2 GLY 10 2HA GLY 10 -10.697 1.184 -5.410 87 HA3 GLY 10 1HA GLY 10 -12.209 0.899 -4.557 88 H ILE 11 HN ILE 11 -10.542 -0.257 -2.312 89 HA ILE 11 HA ILE 11 -10.200 2.261 -0.914 90 HB ILE 11 HB ILE 11 -9.888 -0.594 0.082 91 HG12 ILE 11 2HG1 ILE 11 -12.269 1.259 0.365 92 HG13 ILE 11 1HG1 ILE 11 -12.172 -0.073 -0.779 93 HG21 ILE 11 1HG2 ILE 11 -10.135 0.399 2.325 94 HG22 ILE 11 2HG2 ILE 11 -10.208 2.006 1.601 95 HG23 ILE 11 3HG2 ILE 11 -8.729 1.055 1.480 96 HD11 ILE 11 1HD1 ILE 11 -12.016 -1.650 1.069 97 HD12 ILE 11 2HD1 ILE 11 -13.471 -0.658 1.194 98 HD13 ILE 11 3HD1 ILE 11 -12.072 -0.312 2.214 99 H CYS 12 HN CYS 12 -8.233 3.210 -1.012 100 HA CYS 12 HA CYS 12 -5.939 1.447 -1.431 101 HB2 CYS 12 2HB CYS 12 -6.149 4.393 -2.057 102 HB3 CYS 12 1HB CYS 12 -4.795 3.336 -2.409 103 H TYR 13 HN TYR 13 -4.469 1.323 0.024 104 HA TYR 13 HA TYR 13 -4.267 3.404 2.047 105 HB2 TYR 13 2HB TYR 13 -3.655 1.521 3.683 106 HB3 TYR 13 1HB TYR 13 -5.349 1.674 3.256 107 HD1 TYR 13 1HD TYR 13 -6.460 -0.055 1.947 108 HD2 TYR 13 2HD TYR 13 -2.325 -0.444 2.930 109 HE1 TYR 13 1HE TYR 13 -6.538 -2.420 1.329 110 HE2 TYR 13 2HE TYR 13 -2.405 -2.804 2.316 111 HH TYR 13 HH TYR 13 -4.912 -4.192 0.558 112 H ARG 14 HN ARG 14 -2.199 3.816 2.783 113 HA ARG 14 HA ARG 14 -0.131 3.066 0.893 114 HB2 ARG 14 2HB ARG 14 -0.377 5.427 1.560 115 HB3 ARG 14 1HB ARG 14 -0.065 4.978 3.228 116 HG2 ARG 14 2HG ARG 14 2.175 4.176 2.573 117 HG3 ARG 14 1HG ARG 14 1.863 4.724 0.929 118 HD2 ARG 14 2HD ARG 14 1.966 6.435 3.411 119 HD3 ARG 14 1HD ARG 14 3.179 6.357 2.134 120 HE ARG 14 HE ARG 14 0.881 7.006 0.865 121 HH11 ARG 14 1HH1 ARG 14 2.836 8.499 3.441 122 HH12 ARG 14 2HH1 ARG 14 2.277 10.083 3.116 123 HH21 ARG 14 1HH2 ARG 14 0.144 9.188 0.460 124 HH22 ARG 14 2HH2 ARG 14 0.719 10.471 1.419 125 H ARG 15 HN ARG 15 1.392 1.627 1.316 126 HA ARG 15 HA ARG 15 1.945 0.962 4.096 127 HB2 ARG 15 2HB ARG 15 1.502 -0.993 1.829 128 HB3 ARG 15 1HB ARG 15 2.327 -1.462 3.337 129 HG2 ARG 15 2HG ARG 15 -0.453 -0.502 2.911 130 HG3 ARG 15 1HG ARG 15 0.040 -2.147 3.338 131 HD2 ARG 15 2HD ARG 15 0.958 -1.253 5.468 132 HD3 ARG 15 1HD ARG 15 0.364 0.339 5.021 133 HE ARG 15 HE ARG 15 -1.308 -1.990 5.523 134 HH11 ARG 15 1HH1 ARG 15 -0.923 1.542 5.383 135 HH12 ARG 15 2HH1 ARG 15 -2.281 1.872 6.362 136 HH21 ARG 15 1HH2 ARG 15 -3.198 -1.515 6.789 137 HH22 ARG 15 2HH2 ARG 15 -3.631 0.102 7.160 138 H CYS 16 HN CYS 16 4.072 0.455 4.546 139 HA CYS 16 HA CYS 16 5.876 1.280 2.398 140 HB2 CYS 16 2HB CYS 16 6.160 1.821 5.357 141 HB3 CYS 16 1HB CYS 16 7.323 2.267 4.119 142 H ARG 17 HN ARG 17 7.312 -0.114 1.810 143 HA ARG 17 HA ARG 17 8.073 -2.155 3.737 144 HB2 ARG 17 2HB ARG 17 6.680 -3.121 1.882 145 HB3 ARG 17 1HB ARG 17 7.888 -2.543 0.733 146 HG2 ARG 17 2HG ARG 17 8.183 -4.907 1.173 147 HG3 ARG 17 1HG ARG 17 9.559 -3.986 1.791 148 HD2 ARG 17 2HD ARG 17 8.514 -4.020 4.032 149 HD3 ARG 17 1HD ARG 17 7.236 -5.054 3.391 150 HE ARG 17 HE ARG 17 9.540 -6.333 2.787 151 HH11 ARG 17 1HH1 ARG 17 8.091 -5.071 5.770 152 HH12 ARG 17 2HH1 ARG 17 8.843 -6.195 6.785 153 HH21 ARG 17 1HH2 ARG 17 10.619 -7.881 4.206 154 HH22 ARG 17 2HH2 ARG 17 10.321 -7.829 5.879 155 H GLY 18 HN GLY 18 9.965 -1.455 4.397 156 HA2 GLY 18 2HA GLY 18 12.211 -1.048 4.269 157 HA3 GLY 18 1HA GLY 18 12.102 -1.204 2.514 Start of MODEL 3 1 H1 LYS 1 HN LYS 1 12.207 0.767 2.325 2 HA LYS 1 HA LYS 1 11.193 2.988 3.974 3 HB2 LYS 1 2HB LYS 1 13.103 3.023 1.637 4 HB3 LYS 1 1HB LYS 1 12.750 4.363 2.715 5 HG2 LYS 1 2HG LYS 1 14.062 1.789 3.525 6 HG3 LYS 1 1HG LYS 1 14.902 3.292 3.148 7 HD2 LYS 1 2HD LYS 1 13.707 4.392 5.000 8 HD3 LYS 1 1HD LYS 1 12.908 2.862 5.372 9 HE2 LYS 1 2HE LYS 1 14.851 3.280 6.826 10 HE3 LYS 1 1HE LYS 1 15.033 1.823 5.851 11 HZ1 LYS 1 1HZ LYS 1 16.465 3.024 4.343 12 HZ2 LYS 1 2HZ LYS 1 17.056 3.195 5.908 13 HZ3 LYS 1 3HZ LYS 1 16.220 4.455 5.184 14 H TRP 2 HN TRP 2 10.976 1.410 0.989 15 HA TRP 2 HA TRP 2 9.769 3.423 -0.561 16 HB2 TRP 2 2HB TRP 2 10.961 1.662 -1.638 17 HB3 TRP 2 1HB TRP 2 9.977 0.435 -0.859 18 HD1 TRP 2 1HD TRP 2 9.151 3.454 -3.181 19 HE1 TRP 2 1HE TRP 2 7.521 2.594 -4.985 20 HE3 TRP 2 3HE TRP 2 8.831 -1.419 -1.735 21 HZ2 TRP 2 2HZ TRP 2 6.280 0.176 -5.699 22 HZ3 TRP 2 3HZ TRP 2 7.408 -2.950 -3.034 23 HH2 TRP 2 2HH TRP 2 6.164 -2.167 -4.970 24 H CYS 3 HN CYS 3 7.869 4.261 -0.187 25 HA CYS 3 HA CYS 3 5.740 2.566 0.874 26 HB2 CYS 3 2HB CYS 3 6.060 5.575 0.988 27 HB3 CYS 3 1HB CYS 3 4.688 4.676 1.623 28 H PHE 4 HN PHE 4 4.097 2.155 -0.350 29 HA PHE 4 HA PHE 4 3.742 3.694 -2.795 30 HB2 PHE 4 2HB PHE 4 3.416 1.561 -4.021 31 HB3 PHE 4 1HB PHE 4 5.053 1.771 -3.423 32 HD1 PHE 4 1HD PHE 4 5.651 0.547 -1.220 33 HD2 PHE 4 2HD PHE 4 2.238 -0.385 -3.569 34 HE1 PHE 4 1HE PHE 4 5.534 -1.660 -0.158 35 HE2 PHE 4 2HE PHE 4 2.116 -2.601 -2.502 36 HZ PHE 4 HZ PHE 4 3.762 -3.235 -0.798 37 H ARG 5 HN ARG 5 1.712 3.369 -3.779 38 HA ARG 5 HA ARG 5 -0.457 3.294 -1.882 39 HB2 ARG 5 2HB ARG 5 -0.457 5.063 -3.510 40 HB3 ARG 5 1HB ARG 5 -0.255 3.926 -4.829 41 HG2 ARG 5 2HG ARG 5 -2.509 3.035 -4.349 42 HG3 ARG 5 1HG ARG 5 -2.696 4.270 -3.104 43 HD2 ARG 5 2HD ARG 5 -2.517 6.023 -4.728 44 HD3 ARG 5 1HD ARG 5 -2.099 4.870 -5.998 45 HE ARG 5 HE ARG 5 -4.545 4.138 -4.912 46 HH11 ARG 5 1HH1 ARG 5 -3.239 6.785 -6.857 47 HH12 ARG 5 2HH1 ARG 5 -4.708 7.084 -7.665 48 HH21 ARG 5 1HH2 ARG 5 -6.547 4.556 -6.023 49 HH22 ARG 5 2HH2 ARG 5 -6.627 5.811 -7.163 50 H VAL 6 HN VAL 6 -1.750 1.604 -1.586 51 HA VAL 6 HA VAL 6 -1.634 -0.635 -3.486 52 HB VAL 6 HB VAL 6 -2.273 -0.780 -0.528 53 HG11 VAL 6 1HG1 VAL 6 -1.690 -2.958 -2.521 54 HG12 VAL 6 2HG1 VAL 6 -3.264 -2.566 -1.829 55 HG13 VAL 6 3HG1 VAL 6 -1.979 -3.196 -0.798 56 HG21 VAL 6 1HG2 VAL 6 0.052 -0.136 -0.760 57 HG22 VAL 6 2HG2 VAL 6 0.325 -1.458 -1.892 58 HG23 VAL 6 3HG2 VAL 6 -0.062 -1.808 -0.207 59 H CYS 7 HN CYS 7 -3.567 -0.923 -4.438 60 HA CYS 7 HA CYS 7 -5.898 0.164 -3.049 61 HB2 CYS 7 2HB CYS 7 -5.436 -0.195 -6.012 62 HB3 CYS 7 1HB CYS 7 -6.980 0.266 -5.299 63 H TYR 8 HN TYR 8 -7.211 -1.205 -2.228 64 HA TYR 8 HA TYR 8 -7.388 -3.863 -3.388 65 HB2 TYR 8 2HB TYR 8 -5.874 -3.901 -1.436 66 HB3 TYR 8 1HB TYR 8 -7.132 -3.150 -0.468 67 HD1 TYR 8 1HD TYR 8 -8.528 -4.491 0.801 68 HD2 TYR 8 2HD TYR 8 -6.556 -6.181 -2.565 69 HE1 TYR 8 1HE TYR 8 -9.420 -6.688 1.387 70 HE2 TYR 8 2HE TYR 8 -7.439 -8.382 -1.989 71 HH TYR 8 HH TYR 8 -8.280 -9.536 -0.003 72 H ARG 9 HN ARG 9 -9.345 -3.888 -4.120 73 HA ARG 9 HA ARG 9 -11.567 -3.928 -4.317 74 HB2 ARG 9 2HB ARG 9 -11.638 -3.738 -1.299 75 HB3 ARG 9 1HB ARG 9 -12.987 -4.205 -2.321 76 HG2 ARG 9 2HG ARG 9 -11.681 -6.182 -3.050 77 HG3 ARG 9 1HG ARG 9 -10.419 -5.725 -1.902 78 HD2 ARG 9 2HD ARG 9 -12.161 -5.796 -0.106 79 HD3 ARG 9 1HD ARG 9 -13.269 -6.472 -1.300 80 HE ARG 9 HE ARG 9 -10.729 -7.812 -0.759 81 HH11 ARG 9 1HH1 ARG 9 -14.269 -7.933 -0.702 82 HH12 ARG 9 2HH1 ARG 9 -14.345 -9.514 -0.078 83 HH21 ARG 9 1HH2 ARG 9 -10.828 -9.947 0.146 84 HH22 ARG 9 2HH2 ARG 9 -12.346 -10.699 0.374 85 H GLY 10 HN GLY 10 -10.095 -1.357 -4.113 86 HA2 GLY 10 2HA GLY 10 -11.143 0.686 -4.848 87 HA3 GLY 10 1HA GLY 10 -12.454 0.355 -3.720 88 H ILE 11 HN ILE 11 -10.458 -0.540 -1.700 89 HA ILE 11 HA ILE 11 -10.055 2.065 -0.523 90 HB ILE 11 HB ILE 11 -9.335 -0.680 0.567 91 HG12 ILE 11 2HG1 ILE 11 -11.792 1.013 1.107 92 HG13 ILE 11 1HG1 ILE 11 -11.757 -0.449 0.133 93 HG21 ILE 11 1HG2 ILE 11 -8.099 1.155 1.633 94 HG22 ILE 11 2HG2 ILE 11 -9.255 0.434 2.753 95 HG23 ILE 11 3HG2 ILE 11 -9.620 1.979 1.987 96 HD11 ILE 11 1HD1 ILE 11 -11.168 -0.268 3.081 97 HD12 ILE 11 2HD1 ILE 11 -11.133 -1.742 2.115 98 HD13 ILE 11 3HD1 ILE 11 -12.654 -0.879 2.351 99 H CYS 12 HN CYS 12 -8.282 3.154 -1.088 100 HA CYS 12 HA CYS 12 -5.872 1.610 -1.641 101 HB2 CYS 12 2HB CYS 12 -6.435 4.490 -2.326 102 HB3 CYS 12 1HB CYS 12 -5.014 3.578 -2.775 103 H TYR 13 HN TYR 13 -4.328 1.650 -0.288 104 HA TYR 13 HA TYR 13 -4.102 3.819 1.652 105 HB2 TYR 13 2HB TYR 13 -3.430 2.068 3.359 106 HB3 TYR 13 1HB TYR 13 -5.134 2.096 2.937 107 HD1 TYR 13 1HD TYR 13 -1.935 0.186 2.468 108 HD2 TYR 13 2HD TYR 13 -6.183 0.197 1.971 109 HE1 TYR 13 1HE TYR 13 -1.905 -2.204 2.009 110 HE2 TYR 13 2HE TYR 13 -6.126 -2.204 1.501 111 HH TYR 13 HH TYR 13 -4.461 -3.916 0.702 112 H ARG 14 HN ARG 14 -1.870 3.614 2.764 113 HA ARG 14 HA ARG 14 0.009 3.010 0.626 114 HB2 ARG 14 2HB ARG 14 0.211 5.025 2.872 115 HB3 ARG 14 1HB ARG 14 1.601 4.533 1.926 116 HG2 ARG 14 2HG ARG 14 0.799 6.603 1.049 117 HG3 ARG 14 1HG ARG 14 0.418 5.339 -0.116 118 HD2 ARG 14 2HD ARG 14 -1.881 5.259 0.824 119 HD3 ARG 14 1HD ARG 14 -1.465 6.628 1.851 120 HE ARG 14 HE ARG 14 -0.851 7.263 -0.773 121 HH11 ARG 14 1HH1 ARG 14 -3.732 6.688 1.228 122 HH12 ARG 14 2HH1 ARG 14 -4.733 7.704 0.294 123 HH21 ARG 14 1HH2 ARG 14 -2.282 8.688 -2.021 124 HH22 ARG 14 2HH2 ARG 14 -3.915 8.837 -1.541 125 H ARG 15 HN ARG 15 1.528 1.568 0.956 126 HA ARG 15 HA ARG 15 1.986 0.604 3.682 127 HB2 ARG 15 2HB ARG 15 1.667 -0.924 1.130 128 HB3 ARG 15 1HB ARG 15 2.578 -1.626 2.475 129 HG2 ARG 15 2HG ARG 15 -0.305 -0.797 2.433 130 HG3 ARG 15 1HG ARG 15 0.295 -2.441 2.265 131 HD2 ARG 15 2HD ARG 15 -0.438 -2.230 4.505 132 HD3 ARG 15 1HD ARG 15 1.318 -2.171 4.568 133 HE ARG 15 HE ARG 15 0.125 0.435 4.447 134 HH11 ARG 15 1HH1 ARG 15 1.084 -2.157 6.679 135 HH12 ARG 15 2HH1 ARG 15 0.975 -1.166 8.056 136 HH21 ARG 15 1HH2 ARG 15 -0.041 1.746 6.346 137 HH22 ARG 15 2HH2 ARG 15 0.369 1.096 7.865 138 H CYS 16 HN CYS 16 4.176 -0.177 4.008 139 HA CYS 16 HA CYS 16 6.010 1.033 2.086 140 HB2 CYS 16 2HB CYS 16 6.210 1.189 5.090 141 HB3 CYS 16 1HB CYS 16 7.373 1.833 3.938 142 H ARG 17 HN ARG 17 7.130 -0.516 1.247 143 HA ARG 17 HA ARG 17 7.822 -2.830 2.888 144 HB2 ARG 17 2HB ARG 17 6.808 -3.176 0.595 145 HB3 ARG 17 1HB ARG 17 8.250 -2.436 -0.085 146 HG2 ARG 17 2HG ARG 17 9.602 -4.235 0.915 147 HG3 ARG 17 1HG ARG 17 8.116 -4.972 1.516 148 HD2 ARG 17 2HD ARG 17 7.291 -5.129 -0.797 149 HD3 ARG 17 1HD ARG 17 8.830 -4.488 -1.366 150 HE ARG 17 HE ARG 17 8.882 -6.873 0.288 151 HH11 ARG 17 1HH1 ARG 17 9.282 -5.466 -2.939 152 HH12 ARG 17 2HH1 ARG 17 9.877 -6.895 -3.634 153 HH21 ARG 17 1HH2 ARG 17 9.683 -8.828 -0.663 154 HH22 ARG 17 2HH2 ARG 17 10.102 -8.871 -2.311 155 H GLY 18 HN GLY 18 9.342 -1.912 4.133 156 HA2 GLY 18 2HA GLY 18 11.578 -1.474 4.589 157 HA3 GLY 18 1HA GLY 18 11.858 -1.221 2.862 Start of MODEL 4 1 H1 LYS 1 HN LYS 1 12.623 0.678 1.806 2 HA LYS 1 HA LYS 1 12.064 3.165 3.247 3 HB2 LYS 1 2HB LYS 1 13.750 4.207 1.783 4 HB3 LYS 1 1HB LYS 1 14.414 2.932 2.794 5 HG2 LYS 1 2HG LYS 1 14.393 1.397 0.904 6 HG3 LYS 1 1HG LYS 1 13.677 2.642 -0.117 7 HD2 LYS 1 2HD LYS 1 16.381 2.765 1.215 8 HD3 LYS 1 1HD LYS 1 16.091 2.448 -0.495 9 HE2 LYS 1 2HE LYS 1 14.980 4.672 -0.645 10 HE3 LYS 1 1HE LYS 1 15.464 4.973 1.022 11 HZ1 LYS 1 1HZ LYS 1 17.785 4.706 0.311 12 HZ2 LYS 1 2HZ LYS 1 17.001 5.973 -0.471 13 HZ3 LYS 1 3HZ LYS 1 17.255 4.527 -1.282 14 H TRP 2 HN TRP 2 10.739 1.272 1.003 15 HA TRP 2 HA TRP 2 9.843 3.485 -0.695 16 HB2 TRP 2 2HB TRP 2 10.950 1.810 -1.987 17 HB3 TRP 2 1HB TRP 2 10.052 0.519 -1.207 18 HD1 TRP 2 1HD TRP 2 8.996 3.665 -3.274 19 HE1 TRP 2 1HE TRP 2 7.260 2.882 -5.019 20 HE3 TRP 2 3HE TRP 2 8.841 -1.300 -2.111 21 HZ2 TRP 2 2HZ TRP 2 6.009 0.480 -5.796 22 HZ3 TRP 2 3HZ TRP 2 7.358 -2.774 -3.408 23 HH2 TRP 2 2HH TRP 2 5.978 -1.898 -5.209 24 H CYS 3 HN CYS 3 7.846 4.150 -0.446 25 HA CYS 3 HA CYS 3 5.946 2.363 0.872 26 HB2 CYS 3 2HB CYS 3 5.937 5.383 0.729 27 HB3 CYS 3 1HB CYS 3 4.730 4.393 1.542 28 H PHE 4 HN PHE 4 4.130 1.847 -0.143 29 HA PHE 4 HA PHE 4 3.693 3.079 -2.734 30 HB2 PHE 4 2HB PHE 4 3.189 0.800 -3.658 31 HB3 PHE 4 1HB PHE 4 4.879 1.104 -3.291 32 HD1 PHE 4 1HD PHE 4 5.881 0.076 -1.269 33 HD2 PHE 4 2HD PHE 4 2.001 -0.962 -2.635 34 HE1 PHE 4 1HE PHE 4 5.975 -1.980 0.054 35 HE2 PHE 4 2HE PHE 4 2.086 -3.028 -1.309 36 HZ PHE 4 HZ PHE 4 4.082 -3.543 0.039 37 H ARG 5 HN ARG 5 1.657 2.693 -3.617 38 HA ARG 5 HA ARG 5 -0.453 2.821 -1.620 39 HB2 ARG 5 2HB ARG 5 -0.380 4.605 -3.231 40 HB3 ARG 5 1HB ARG 5 -0.295 3.459 -4.555 41 HG2 ARG 5 2HG ARG 5 -2.573 2.763 -4.139 42 HG3 ARG 5 1HG ARG 5 -2.664 3.841 -2.743 43 HD2 ARG 5 2HD ARG 5 -2.414 5.767 -4.127 44 HD3 ARG 5 1HD ARG 5 -2.036 4.768 -5.529 45 HE ARG 5 HE ARG 5 -4.476 3.926 -4.829 46 HH11 ARG 5 1HH1 ARG 5 -3.191 7.164 -5.465 47 HH12 ARG 5 2HH1 ARG 5 -4.641 7.769 -6.127 48 HH21 ARG 5 1HH2 ARG 5 -6.461 4.732 -5.744 49 HH22 ARG 5 2HH2 ARG 5 -6.555 6.346 -6.258 50 H VAL 6 HN VAL 6 -1.830 1.202 -1.326 51 HA VAL 6 HA VAL 6 -1.843 -0.993 -3.284 52 HB VAL 6 HB VAL 6 -2.476 -1.202 -0.326 53 HG11 VAL 6 1HG1 VAL 6 -2.045 -3.341 -2.415 54 HG12 VAL 6 2HG1 VAL 6 -3.587 -2.880 -1.695 55 HG13 VAL 6 3HG1 VAL 6 -2.337 -3.629 -0.698 56 HG21 VAL 6 1HG2 VAL 6 -0.109 -0.701 -0.582 57 HG22 VAL 6 2HG2 VAL 6 0.056 -2.018 -1.746 58 HG23 VAL 6 3HG2 VAL 6 -0.333 -2.372 -0.061 59 H CYS 7 HN CYS 7 -3.737 -1.121 -4.286 60 HA CYS 7 HA CYS 7 -6.070 0.028 -2.957 61 HB2 CYS 7 2HB CYS 7 -5.478 -0.304 -5.895 62 HB3 CYS 7 1HB CYS 7 -7.025 0.230 -5.246 63 H TYR 8 HN TYR 8 -7.535 -1.267 -2.299 64 HA TYR 8 HA TYR 8 -7.812 -3.881 -3.560 65 HB2 TYR 8 2HB TYR 8 -6.600 -4.058 -1.410 66 HB3 TYR 8 1HB TYR 8 -7.924 -3.210 -0.629 67 HD1 TYR 8 1HD TYR 8 -9.525 -4.454 0.470 68 HD2 TYR 8 2HD TYR 8 -7.359 -6.276 -2.709 69 HE1 TYR 8 1HE TYR 8 -10.646 -6.581 0.932 70 HE2 TYR 8 2HE TYR 8 -8.467 -8.398 -2.259 71 HH TYR 8 HH TYR 8 -9.583 -9.518 -0.381 72 H ARG 9 HN ARG 9 -9.608 -3.572 -4.616 73 HA ARG 9 HA ARG 9 -11.793 -3.401 -5.107 74 HB2 ARG 9 2HB ARG 9 -12.189 -3.560 -2.118 75 HB3 ARG 9 1HB ARG 9 -13.466 -3.726 -3.311 76 HG2 ARG 9 2HG ARG 9 -12.345 -5.717 -4.205 77 HG3 ARG 9 1HG ARG 9 -11.103 -5.559 -2.960 78 HD2 ARG 9 2HD ARG 9 -12.837 -5.755 -1.236 79 HD3 ARG 9 1HD ARG 9 -14.049 -5.964 -2.495 80 HE ARG 9 HE ARG 9 -11.980 -7.864 -2.764 81 HH11 ARG 9 1HH1 ARG 9 -14.877 -7.122 -0.875 82 HH12 ARG 9 2HH1 ARG 9 -15.135 -8.712 -0.338 83 HH21 ARG 9 1HH2 ARG 9 -12.326 -10.111 -1.975 84 HH22 ARG 9 2HH2 ARG 9 -13.653 -10.423 -0.950 85 H GLY 10 HN GLY 10 -10.228 -0.955 -4.541 86 HA2 GLY 10 2HA GLY 10 -11.065 1.229 -5.108 87 HA3 GLY 10 1HA GLY 10 -12.519 0.860 -4.188 88 H ILE 11 HN ILE 11 -10.563 -0.387 -2.160 89 HA ILE 11 HA ILE 11 -10.193 2.056 -0.644 90 HB ILE 11 HB ILE 11 -9.805 -0.856 0.119 91 HG12 ILE 11 2HG1 ILE 11 -12.053 1.058 0.799 92 HG13 ILE 11 1HG1 ILE 11 -12.153 -0.264 -0.353 93 HG21 ILE 11 1HG2 ILE 11 -9.785 1.605 1.871 94 HG22 ILE 11 2HG2 ILE 11 -8.388 0.621 1.449 95 HG23 ILE 11 3HG2 ILE 11 -9.681 -0.063 2.434 96 HD11 ILE 11 1HD1 ILE 11 -11.789 -1.865 1.458 97 HD12 ILE 11 2HD1 ILE 11 -13.201 -0.850 1.759 98 HD13 ILE 11 3HD1 ILE 11 -11.685 -0.532 2.606 99 H CYS 12 HN CYS 12 -8.331 3.066 -1.082 100 HA CYS 12 HA CYS 12 -5.961 1.418 -1.556 101 HB2 CYS 12 2HB CYS 12 -6.314 4.351 -2.182 102 HB3 CYS 12 1HB CYS 12 -4.962 3.333 -2.607 103 H TYR 13 HN TYR 13 -4.413 1.424 -0.154 104 HA TYR 13 HA TYR 13 -4.287 3.554 1.823 105 HB2 TYR 13 2HB TYR 13 -3.662 1.772 3.532 106 HB3 TYR 13 1HB TYR 13 -5.350 1.815 3.049 107 HD1 TYR 13 1HD TYR 13 -2.175 -0.049 2.678 108 HD2 TYR 13 2HD TYR 13 -6.371 -0.073 1.997 109 HE1 TYR 13 1HE TYR 13 -2.069 -2.425 2.161 110 HE2 TYR 13 2HE TYR 13 -6.283 -2.461 1.473 111 HH TYR 13 HH TYR 13 -4.639 -4.147 0.727 112 H ARG 14 HN ARG 14 -2.164 3.676 2.863 113 HA ARG 14 HA ARG 14 -0.085 3.114 0.874 114 HB2 ARG 14 2HB ARG 14 -0.070 5.045 3.209 115 HB3 ARG 14 1HB ARG 14 1.178 4.891 1.984 116 HG2 ARG 14 2HG ARG 14 -1.657 5.777 1.462 117 HG3 ARG 14 1HG ARG 14 -0.275 6.854 1.649 118 HD2 ARG 14 2HD ARG 14 0.774 5.892 -0.318 119 HD3 ARG 14 1HD ARG 14 -0.536 4.722 -0.471 120 HE ARG 14 HE ARG 14 -1.900 6.973 -0.583 121 HH11 ARG 14 1HH1 ARG 14 1.118 6.167 -2.266 122 HH12 ARG 14 2HH1 ARG 14 0.750 7.134 -3.615 123 HH21 ARG 14 1HH2 ARG 14 -2.356 8.301 -2.466 124 HH22 ARG 14 2HH2 ARG 14 -1.204 8.363 -3.722 125 H ARG 15 HN ARG 15 1.385 1.612 1.326 126 HA ARG 15 HA ARG 15 1.982 1.017 4.132 127 HB2 ARG 15 2HB ARG 15 1.557 -0.963 1.893 128 HB3 ARG 15 1HB ARG 15 2.443 -1.373 3.347 129 HG2 ARG 15 2HG ARG 15 -0.398 -0.422 3.326 130 HG3 ARG 15 1HG ARG 15 0.067 -2.124 3.322 131 HD2 ARG 15 2HD ARG 15 -0.437 -1.546 5.586 132 HD3 ARG 15 1HD ARG 15 1.312 -1.657 5.475 133 HE ARG 15 HE ARG 15 0.309 1.006 5.100 134 HH11 ARG 15 1HH1 ARG 15 1.382 -1.333 7.560 135 HH12 ARG 15 2HH1 ARG 15 1.566 -0.149 8.772 136 HH21 ARG 15 1HH2 ARG 15 0.583 2.593 6.772 137 HH22 ARG 15 2HH2 ARG 15 1.108 2.120 8.320 138 H CYS 16 HN CYS 16 4.179 0.213 4.462 139 HA CYS 16 HA CYS 16 5.893 1.151 2.293 140 HB2 CYS 16 2HB CYS 16 6.390 1.495 5.256 141 HB3 CYS 16 1HB CYS 16 7.487 1.966 3.969 142 H ARG 17 HN ARG 17 7.713 0.083 1.861 143 HA ARG 17 HA ARG 17 8.274 -2.336 3.385 144 HB2 ARG 17 2HB ARG 17 7.108 -2.972 1.334 145 HB3 ARG 17 1HB ARG 17 8.249 -2.034 0.370 146 HG2 ARG 17 2HG ARG 17 10.039 -3.524 1.090 147 HG3 ARG 17 1HG ARG 17 8.880 -4.454 2.035 148 HD2 ARG 17 2HD ARG 17 7.629 -4.936 -0.022 149 HD3 ARG 17 1HD ARG 17 8.852 -4.065 -0.947 150 HE ARG 17 HE ARG 17 10.196 -5.936 0.533 151 HH11 ARG 17 1HH1 ARG 17 7.737 -5.939 -2.022 152 HH12 ARG 17 2HH1 ARG 17 8.165 -7.458 -2.645 153 HH21 ARG 17 1HH2 ARG 17 10.768 -8.086 -0.316 154 HH22 ARG 17 2HH2 ARG 17 9.918 -8.719 -1.640 155 H GLY 18 HN GLY 18 10.029 -1.614 4.372 156 HA2 GLY 18 2HA GLY 18 12.230 -1.060 4.627 157 HA3 GLY 18 1HA GLY 18 12.399 -1.138 2.874 Start of MODEL 5 1 H1 LYS 1 HN LYS 1 12.176 0.616 2.181 2 HA LYS 1 HA LYS 1 11.255 2.690 4.047 3 HB2 LYS 1 2HB LYS 1 12.938 4.179 3.002 4 HB3 LYS 1 1HB LYS 1 13.647 2.771 3.783 5 HG2 LYS 1 2HG LYS 1 13.943 1.707 1.626 6 HG3 LYS 1 1HG LYS 1 13.210 3.102 0.827 7 HD2 LYS 1 2HD LYS 1 14.997 4.518 1.609 8 HD3 LYS 1 1HD LYS 1 15.686 3.184 2.533 9 HE2 LYS 1 2HE LYS 1 16.050 1.949 0.447 10 HE3 LYS 1 1HE LYS 1 15.394 3.305 -0.466 11 HZ1 LYS 1 1HZ LYS 1 17.824 3.351 -0.427 12 HZ2 LYS 1 2HZ LYS 1 17.814 3.371 1.244 13 HZ3 LYS 1 3HZ LYS 1 17.210 4.685 0.401 14 H TRP 2 HN TRP 2 11.022 1.361 0.923 15 HA TRP 2 HA TRP 2 9.896 3.620 -0.374 16 HB2 TRP 2 2HB TRP 2 11.075 2.071 -1.735 17 HB3 TRP 2 1HB TRP 2 10.180 0.710 -1.082 18 HD1 TRP 2 1HD TRP 2 9.096 3.948 -2.973 19 HE1 TRP 2 1HE TRP 2 7.446 3.230 -4.819 20 HE3 TRP 2 3HE TRP 2 9.101 -1.091 -2.165 21 HZ2 TRP 2 2HZ TRP 2 6.318 0.854 -5.809 22 HZ3 TRP 2 3HZ TRP 2 7.713 -2.523 -3.611 23 HH2 TRP 2 2HH TRP 2 6.351 -1.557 -5.397 24 H CYS 3 HN CYS 3 7.932 4.307 -0.185 25 HA CYS 3 HA CYS 3 5.866 2.511 0.821 26 HB2 CYS 3 2HB CYS 3 6.105 5.514 1.015 27 HB3 CYS 3 1HB CYS 3 4.711 4.585 1.559 28 H PHE 4 HN PHE 4 4.043 2.264 -0.298 29 HA PHE 4 HA PHE 4 3.770 3.731 -2.776 30 HB2 PHE 4 2HB PHE 4 3.377 1.570 -3.996 31 HB3 PHE 4 1HB PHE 4 5.033 1.843 -3.485 32 HD1 PHE 4 1HD PHE 4 5.858 0.618 -1.407 33 HD2 PHE 4 2HD PHE 4 2.228 -0.381 -3.379 34 HE1 PHE 4 1HE PHE 4 5.892 -1.585 -0.333 35 HE2 PHE 4 2HE PHE 4 2.255 -2.590 -2.302 36 HZ PHE 4 HZ PHE 4 4.086 -3.197 -0.774 37 H ARG 5 HN ARG 5 1.745 3.410 -3.809 38 HA ARG 5 HA ARG 5 -0.449 3.391 -1.941 39 HB2 ARG 5 2HB ARG 5 -0.453 5.085 -3.666 40 HB3 ARG 5 1HB ARG 5 -0.264 3.874 -4.923 41 HG2 ARG 5 2HG ARG 5 -2.501 2.993 -4.379 42 HG3 ARG 5 1HG ARG 5 -2.686 4.263 -3.172 43 HD2 ARG 5 2HD ARG 5 -2.574 5.965 -4.880 44 HD3 ARG 5 1HD ARG 5 -2.192 4.756 -6.104 45 HE ARG 5 HE ARG 5 -4.538 3.926 -5.041 46 HH11 ARG 5 1HH1 ARG 5 -3.517 6.879 -6.724 47 HH12 ARG 5 2HH1 ARG 5 -5.071 7.226 -7.313 48 HH21 ARG 5 1HH2 ARG 5 -6.622 4.399 -5.883 49 HH22 ARG 5 2HH2 ARG 5 -6.885 5.793 -6.822 50 H VAL 6 HN VAL 6 -1.759 1.715 -1.591 51 HA VAL 6 HA VAL 6 -1.775 -0.515 -3.509 52 HB VAL 6 HB VAL 6 -2.152 -0.753 -0.510 53 HG11 VAL 6 1HG1 VAL 6 -1.887 -3.143 -0.885 54 HG12 VAL 6 2HG1 VAL 6 -1.734 -2.856 -2.618 55 HG13 VAL 6 3HG1 VAL 6 -3.252 -2.488 -1.793 56 HG21 VAL 6 1HG2 VAL 6 0.063 -1.802 -0.408 57 HG22 VAL 6 2HG2 VAL 6 0.152 -0.115 -0.916 58 HG23 VAL 6 3HG2 VAL 6 0.316 -1.405 -2.105 59 H CYS 7 HN CYS 7 -3.831 -1.139 -4.067 60 HA CYS 7 HA CYS 7 -6.015 0.129 -2.604 61 HB2 CYS 7 2HB CYS 7 -5.848 -0.384 -5.579 62 HB3 CYS 7 1HB CYS 7 -7.248 0.267 -4.730 63 H TYR 8 HN TYR 8 -7.323 -1.194 -1.683 64 HA TYR 8 HA TYR 8 -7.319 -3.997 -2.498 65 HB2 TYR 8 2HB TYR 8 -6.380 -3.462 -0.236 66 HB3 TYR 8 1HB TYR 8 -7.931 -2.746 0.179 67 HD1 TYR 8 1HD TYR 8 -6.127 -5.884 -0.425 68 HD2 TYR 8 2HD TYR 8 -9.827 -4.144 0.729 69 HE1 TYR 8 1HE TYR 8 -6.890 -8.057 0.424 70 HE2 TYR 8 2HE TYR 8 -10.588 -6.324 1.567 71 HH TYR 8 HH TYR 8 -8.502 -8.936 2.020 72 H ARG 9 HN ARG 9 -8.991 -4.054 -3.805 73 HA ARG 9 HA ARG 9 -11.080 -4.149 -4.564 74 HB2 ARG 9 2HB ARG 9 -11.907 -3.748 -1.685 75 HB3 ARG 9 1HB ARG 9 -12.954 -4.344 -2.962 76 HG2 ARG 9 2HG ARG 9 -11.505 -6.306 -3.217 77 HG3 ARG 9 1HG ARG 9 -10.480 -5.695 -1.917 78 HD2 ARG 9 2HD ARG 9 -12.513 -5.727 -0.447 79 HD3 ARG 9 1HD ARG 9 -13.342 -6.580 -1.751 80 HE ARG 9 HE ARG 9 -10.863 -7.772 -0.997 81 HH11 ARG 9 1HH1 ARG 9 -14.331 -7.705 -0.342 82 HH12 ARG 9 2HH1 ARG 9 -14.344 -9.159 0.538 83 HH21 ARG 9 1HH2 ARG 9 -10.851 -9.731 0.260 84 HH22 ARG 9 2HH2 ARG 9 -12.308 -10.352 0.885 85 H GLY 10 HN GLY 10 -9.704 -1.596 -4.223 86 HA2 GLY 10 2HA GLY 10 -10.513 0.417 -5.335 87 HA3 GLY 10 1HA GLY 10 -12.048 0.175 -4.510 88 H ILE 11 HN ILE 11 -10.543 -0.541 -2.013 89 HA ILE 11 HA ILE 11 -10.374 2.156 -0.990 90 HB ILE 11 HB ILE 11 -9.850 -0.495 0.404 91 HG12 ILE 11 2HG1 ILE 11 -12.363 1.197 0.408 92 HG13 ILE 11 1HG1 ILE 11 -12.165 -0.301 -0.494 93 HG21 ILE 11 1HG2 ILE 11 -8.827 1.397 1.558 94 HG22 ILE 11 2HG2 ILE 11 -10.193 0.773 2.482 95 HG23 ILE 11 3HG2 ILE 11 -10.368 2.258 1.545 96 HD11 ILE 11 1HD1 ILE 11 -13.436 -0.648 1.547 97 HD12 ILE 11 2HD1 ILE 11 -12.100 -0.005 2.503 98 HD13 ILE 11 3HD1 ILE 11 -11.901 -1.515 1.615 99 H CYS 12 HN CYS 12 -8.506 3.253 -1.253 100 HA CYS 12 HA CYS 12 -6.055 1.682 -1.491 101 HB2 CYS 12 2HB CYS 12 -6.438 4.586 -2.207 102 HB3 CYS 12 1HB CYS 12 -5.056 3.572 -2.579 103 H TYR 13 HN TYR 13 -4.297 2.006 -0.314 104 HA TYR 13 HA TYR 13 -4.283 3.967 1.803 105 HB2 TYR 13 2HB TYR 13 -3.594 2.106 3.427 106 HB3 TYR 13 1HB TYR 13 -5.299 2.211 3.027 107 HD1 TYR 13 1HD TYR 13 -6.425 0.395 2.032 108 HD2 TYR 13 2HD TYR 13 -2.199 0.336 2.323 109 HE1 TYR 13 1HE TYR 13 -6.426 -1.948 1.374 110 HE2 TYR 13 2HE TYR 13 -2.188 -2.030 1.654 111 HH TYR 13 HH TYR 13 -4.727 -3.559 0.264 112 H ARG 14 HN ARG 14 -2.138 3.741 3.011 113 HA ARG 14 HA ARG 14 -0.027 3.633 0.980 114 HB2 ARG 14 2HB ARG 14 -0.507 5.657 2.476 115 HB3 ARG 14 1HB ARG 14 0.132 4.696 3.797 116 HG2 ARG 14 2HG ARG 14 1.903 6.058 3.088 117 HG3 ARG 14 1HG ARG 14 2.242 4.471 2.385 118 HD2 ARG 14 2HD ARG 14 2.591 6.250 0.751 119 HD3 ARG 14 1HD ARG 14 1.256 5.202 0.266 120 HE ARG 14 HE ARG 14 0.598 7.594 1.775 121 HH11 ARG 14 1HH1 ARG 14 0.827 6.158 -1.431 122 HH12 ARG 14 2HH1 ARG 14 -0.390 7.143 -2.118 123 HH21 ARG 14 1HH2 ARG 14 -1.028 8.971 0.843 124 HH22 ARG 14 2HH2 ARG 14 -1.470 8.811 -0.787 125 H ARG 15 HN ARG 15 1.312 1.854 1.032 126 HA ARG 15 HA ARG 15 1.891 0.685 3.661 127 HB2 ARG 15 2HB ARG 15 1.423 -0.798 1.080 128 HB3 ARG 15 1HB ARG 15 2.208 -1.546 2.482 129 HG2 ARG 15 2HG ARG 15 -0.582 -0.521 2.182 130 HG3 ARG 15 1HG ARG 15 -0.084 -2.201 2.310 131 HD2 ARG 15 2HD ARG 15 0.213 -0.125 4.494 132 HD3 ARG 15 1HD ARG 15 -1.037 -1.359 4.419 133 HE ARG 15 HE ARG 15 1.148 -2.834 4.286 134 HH11 ARG 15 1HH1 ARG 15 0.309 -0.202 6.534 135 HH12 ARG 15 2HH1 ARG 15 1.190 -0.873 7.821 136 HH21 ARG 15 1HH2 ARG 15 2.292 -3.732 6.080 137 HH22 ARG 15 2HH2 ARG 15 2.319 -2.906 7.575 138 H CYS 16 HN CYS 16 4.056 -0.401 3.700 139 HA CYS 16 HA CYS 16 5.784 0.808 1.694 140 HB2 CYS 16 2HB CYS 16 6.351 0.832 4.664 141 HB3 CYS 16 1HB CYS 16 7.328 1.559 3.397 142 H ARG 17 HN ARG 17 7.681 -0.241 1.332 143 HA ARG 17 HA ARG 17 8.056 -2.870 2.567 144 HB2 ARG 17 2HB ARG 17 7.213 -3.219 0.307 145 HB3 ARG 17 1HB ARG 17 8.347 -2.051 -0.340 146 HG2 ARG 17 2HG ARG 17 9.007 -4.323 -0.887 147 HG3 ARG 17 1HG ARG 17 10.195 -3.559 0.162 148 HD2 ARG 17 2HD ARG 17 9.353 -4.782 2.068 149 HD3 ARG 17 1HD ARG 17 8.041 -5.453 1.095 150 HE ARG 17 HE ARG 17 10.211 -6.199 -0.265 151 HH11 ARG 17 1HH1 ARG 17 9.463 -6.527 3.178 152 HH12 ARG 17 2HH1 ARG 17 10.194 -8.051 3.339 153 HH21 ARG 17 1HH2 ARG 17 11.253 -8.275 -0.055 154 HH22 ARG 17 2HH2 ARG 17 11.231 -9.077 1.453 155 H GLY 18 HN GLY 18 9.560 -2.153 3.974 156 HA2 GLY 18 2HA GLY 18 11.778 -1.767 4.561 157 HA3 GLY 18 1HA GLY 18 12.136 -1.427 2.865 Start of MODEL 6 1 H1 LYS 1 HN LYS 1 12.628 0.752 2.400 2 HA LYS 1 HA LYS 1 12.265 3.477 3.325 3 HB2 LYS 1 2HB LYS 1 13.419 2.444 0.742 4 HB3 LYS 1 1HB LYS 1 13.649 4.036 1.429 5 HG2 LYS 1 2HG LYS 1 15.007 3.169 3.189 6 HG3 LYS 1 1HG LYS 1 14.630 1.508 2.729 7 HD2 LYS 1 2HD LYS 1 16.092 3.489 0.976 8 HD3 LYS 1 1HD LYS 1 16.879 2.256 1.960 9 HE2 LYS 1 2HE LYS 1 15.641 0.516 0.697 10 HE3 LYS 1 1HE LYS 1 14.944 1.768 -0.319 11 HZ1 LYS 1 1HZ LYS 1 16.824 0.716 -1.382 12 HZ2 LYS 1 2HZ LYS 1 17.843 1.116 -0.124 13 HZ3 LYS 1 3HZ LYS 1 17.157 2.329 -1.098 14 H TRP 2 HN TRP 2 11.187 1.320 0.866 15 HA TRP 2 HA TRP 2 9.897 3.326 -0.718 16 HB2 TRP 2 2HB TRP 2 11.062 1.602 -1.872 17 HB3 TRP 2 1HB TRP 2 10.209 0.349 -0.989 18 HD1 TRP 2 1HD TRP 2 8.885 3.328 -3.131 19 HE1 TRP 2 1HE TRP 2 7.196 2.352 -4.827 20 HE3 TRP 2 3HE TRP 2 9.268 -1.610 -1.915 21 HZ2 TRP 2 2HZ TRP 2 6.199 -0.170 -5.563 22 HZ3 TRP 2 3HZ TRP 2 7.915 -3.245 -3.177 23 HH2 TRP 2 2HH TRP 2 6.420 -2.527 -4.953 24 H CYS 3 HN CYS 3 7.925 4.008 -0.411 25 HA CYS 3 HA CYS 3 5.951 2.181 0.727 26 HB2 CYS 3 2HB CYS 3 6.089 5.182 0.960 27 HB3 CYS 3 1HB CYS 3 4.773 4.183 1.570 28 H PHE 4 HN PHE 4 4.143 1.927 -0.390 29 HA PHE 4 HA PHE 4 3.861 3.417 -2.871 30 HB2 PHE 4 2HB PHE 4 3.432 1.236 -4.037 31 HB3 PHE 4 1HB PHE 4 5.092 1.484 -3.523 32 HD1 PHE 4 1HD PHE 4 5.806 0.337 -1.308 33 HD2 PHE 4 2HD PHE 4 2.311 -0.703 -3.480 34 HE1 PHE 4 1HE PHE 4 5.771 -1.841 -0.186 35 HE2 PHE 4 2HE PHE 4 2.268 -2.891 -2.358 36 HZ PHE 4 HZ PHE 4 3.992 -3.458 -0.709 37 H ARG 5 HN ARG 5 1.793 3.075 -3.902 38 HA ARG 5 HA ARG 5 -0.347 3.110 -1.934 39 HB2 ARG 5 2HB ARG 5 -0.277 4.933 -3.555 40 HB3 ARG 5 1HB ARG 5 -0.307 3.788 -4.881 41 HG2 ARG 5 2HG ARG 5 -2.555 3.096 -4.288 42 HG3 ARG 5 1HG ARG 5 -2.539 4.167 -2.889 43 HD2 ARG 5 2HD ARG 5 -2.379 6.103 -4.339 44 HD3 ARG 5 1HD ARG 5 -2.277 5.062 -5.759 45 HE ARG 5 HE ARG 5 -4.569 4.260 -4.734 46 HH11 ARG 5 1HH1 ARG 5 -3.411 7.548 -5.389 47 HH12 ARG 5 2HH1 ARG 5 -4.968 8.200 -5.584 48 HH21 ARG 5 1HH2 ARG 5 -6.708 5.178 -4.997 49 HH22 ARG 5 2HH2 ARG 5 -6.867 6.826 -5.342 50 H VAL 6 HN VAL 6 -1.749 1.481 -1.669 51 HA VAL 6 HA VAL 6 -1.871 -0.555 -3.779 52 HB VAL 6 HB VAL 6 -2.184 -1.067 -0.818 53 HG11 VAL 6 1HG1 VAL 6 -2.033 -2.948 -3.166 54 HG12 VAL 6 2HG1 VAL 6 -3.455 -2.600 -2.185 55 HG13 VAL 6 3HG1 VAL 6 -2.077 -3.439 -1.474 56 HG21 VAL 6 1HG2 VAL 6 0.160 -1.676 -2.605 57 HG22 VAL 6 2HG2 VAL 6 -0.032 -2.236 -0.944 58 HG23 VAL 6 3HG2 VAL 6 0.123 -0.514 -1.283 59 H CYS 7 HN CYS 7 -3.834 -0.758 -4.561 60 HA CYS 7 HA CYS 7 -6.048 0.200 -2.931 61 HB2 CYS 7 2HB CYS 7 -5.765 0.079 -5.933 62 HB3 CYS 7 1HB CYS 7 -7.217 0.588 -5.066 63 H TYR 8 HN TYR 8 -7.445 -1.219 -2.276 64 HA TYR 8 HA TYR 8 -7.648 -3.756 -3.695 65 HB2 TYR 8 2HB TYR 8 -6.177 -3.939 -1.659 66 HB3 TYR 8 1HB TYR 8 -7.550 -3.433 -0.685 67 HD1 TYR 8 1HD TYR 8 -9.172 -5.036 0.024 68 HD2 TYR 8 2HD TYR 8 -6.312 -6.087 -2.944 69 HE1 TYR 8 1HE TYR 8 -9.860 -7.390 0.191 70 HE2 TYR 8 2HE TYR 8 -6.985 -8.419 -2.792 71 HH TYR 8 HH TYR 8 -8.035 -9.897 -1.170 72 H ARG 9 HN ARG 9 -9.599 -3.638 -4.476 73 HA ARG 9 HA ARG 9 -11.818 -3.582 -4.700 74 HB2 ARG 9 2HB ARG 9 -11.882 -3.696 -1.683 75 HB3 ARG 9 1HB ARG 9 -13.280 -3.911 -2.728 76 HG2 ARG 9 2HG ARG 9 -12.134 -5.863 -3.749 77 HG3 ARG 9 1HG ARG 9 -10.852 -5.673 -2.555 78 HD2 ARG 9 2HD ARG 9 -13.764 -6.209 -1.970 79 HD3 ARG 9 1HD ARG 9 -12.451 -7.377 -1.880 80 HE ARG 9 HE ARG 9 -12.265 -5.005 -0.201 81 HH11 ARG 9 1HH1 ARG 9 -13.039 -8.453 -0.437 82 HH12 ARG 9 2HH1 ARG 9 -12.905 -8.732 1.242 83 HH21 ARG 9 1HH2 ARG 9 -12.076 -5.423 2.116 84 HH22 ARG 9 2HH2 ARG 9 -12.358 -6.999 2.702 85 H GLY 10 HN GLY 10 -10.249 -1.100 -4.264 86 HA2 GLY 10 2HA GLY 10 -11.214 1.058 -4.839 87 HA3 GLY 10 1HA GLY 10 -12.563 0.653 -3.796 88 H ILE 11 HN ILE 11 -10.550 -0.465 -1.840 89 HA ILE 11 HA ILE 11 -10.158 2.050 -0.482 90 HB ILE 11 HB ILE 11 -9.723 -0.803 0.457 91 HG12 ILE 11 2HG1 ILE 11 -11.917 1.195 1.065 92 HG13 ILE 11 1HG1 ILE 11 -12.079 -0.266 0.105 93 HG21 ILE 11 1HG2 ILE 11 -9.602 1.762 2.042 94 HG22 ILE 11 2HG2 ILE 11 -8.224 0.752 1.616 95 HG23 ILE 11 3HG2 ILE 11 -9.467 0.134 2.707 96 HD11 ILE 11 1HD1 ILE 11 -13.010 -0.566 2.325 97 HD12 ILE 11 2HD1 ILE 11 -11.457 -0.143 3.046 98 HD13 ILE 11 3HD1 ILE 11 -11.612 -1.617 2.090 99 H CYS 12 HN CYS 12 -8.325 3.104 -0.806 100 HA CYS 12 HA CYS 12 -5.949 1.535 -1.492 101 HB2 CYS 12 2HB CYS 12 -6.378 4.499 -1.873 102 HB3 CYS 12 1HB CYS 12 -5.003 3.558 -2.414 103 H TYR 13 HN TYR 13 -4.397 1.374 -0.157 104 HA TYR 13 HA TYR 13 -4.193 3.273 2.041 105 HB2 TYR 13 2HB TYR 13 -3.316 1.252 3.392 106 HB3 TYR 13 1HB TYR 13 -5.048 1.409 3.160 107 HD1 TYR 13 1HD TYR 13 -6.281 -0.273 2.059 108 HD2 TYR 13 2HD TYR 13 -2.022 -0.450 1.991 109 HE1 TYR 13 1HE TYR 13 -6.395 -2.543 1.159 110 HE2 TYR 13 2HE TYR 13 -2.136 -2.713 1.105 111 HH TYR 13 HH TYR 13 -4.976 -4.097 -0.132 112 H ARG 14 HN ARG 14 -2.044 3.362 2.984 113 HA ARG 14 HA ARG 14 -0.072 3.268 0.842 114 HB2 ARG 14 2HB ARG 14 -0.599 5.325 2.359 115 HB3 ARG 14 1HB ARG 14 0.316 4.457 3.582 116 HG2 ARG 14 2HG ARG 14 1.781 6.009 2.528 117 HG3 ARG 14 1HG ARG 14 2.234 4.393 1.974 118 HD2 ARG 14 2HD ARG 14 0.945 4.734 -0.082 119 HD3 ARG 14 1HD ARG 14 0.472 6.331 0.487 120 HE ARG 14 HE ARG 14 3.167 6.408 0.504 121 HH11 ARG 14 1HH1 ARG 14 0.672 5.799 -1.943 122 HH12 ARG 14 2HH1 ARG 14 1.679 6.181 -3.265 123 HH21 ARG 14 1HH2 ARG 14 4.534 6.965 -1.380 124 HH22 ARG 14 2HH2 ARG 14 3.869 6.793 -2.942 125 H ARG 15 HN ARG 15 1.327 1.605 0.839 126 HA ARG 15 HA ARG 15 1.775 0.186 3.373 127 HB2 ARG 15 2HB ARG 15 1.751 -0.721 0.540 128 HB3 ARG 15 1HB ARG 15 2.577 -1.703 1.773 129 HG2 ARG 15 2HG ARG 15 -0.314 -0.995 1.402 130 HG3 ARG 15 1HG ARG 15 0.432 -2.565 1.200 131 HD2 ARG 15 2HD ARG 15 -0.673 -2.719 3.258 132 HD3 ARG 15 1HD ARG 15 1.019 -2.441 3.666 133 HE ARG 15 HE ARG 15 0.027 0.051 3.732 134 HH11 ARG 15 1HH1 ARG 15 -1.135 -2.940 5.198 135 HH12 ARG 15 2HH1 ARG 15 -1.867 -2.181 6.528 136 HH21 ARG 15 1HH2 ARG 15 -0.922 1.119 5.527 137 HH22 ARG 15 2HH2 ARG 15 -1.736 0.204 6.717 138 H CYS 16 HN CYS 16 3.854 -0.306 3.956 139 HA CYS 16 HA CYS 16 5.900 0.979 2.332 140 HB2 CYS 16 2HB CYS 16 5.641 1.084 5.338 141 HB3 CYS 16 1HB CYS 16 7.099 1.540 4.467 142 H ARG 17 HN ARG 17 7.608 -0.109 1.901 143 HA ARG 17 HA ARG 17 8.121 -2.584 3.344 144 HB2 ARG 17 2HB ARG 17 7.098 -3.035 1.135 145 HB3 ARG 17 1HB ARG 17 8.341 -2.067 0.366 146 HG2 ARG 17 2HG ARG 17 10.026 -3.699 1.038 147 HG3 ARG 17 1HG ARG 17 8.775 -4.662 1.837 148 HD2 ARG 17 2HD ARG 17 7.616 -4.954 -0.274 149 HD3 ARG 17 1HD ARG 17 8.801 -3.939 -1.087 150 HE ARG 17 HE ARG 17 10.118 -6.059 0.168 151 HH11 ARG 17 1HH1 ARG 17 7.828 -5.575 -2.519 152 HH12 ARG 17 2HH1 ARG 17 8.461 -6.836 -3.453 153 HH21 ARG 17 1HH2 ARG 17 10.941 -7.849 -1.147 154 HH22 ARG 17 2HH2 ARG 17 10.245 -8.156 -2.664 155 H GLY 18 HN GLY 18 9.410 -1.124 4.574 156 HA2 GLY 18 2HA GLY 18 11.563 -0.595 5.185 157 HA3 GLY 18 1HA GLY 18 12.090 -0.906 3.533 Start of MODEL 7 1 H1 LYS 1 HN LYS 1 12.347 0.459 2.047 2 HA LYS 1 HA LYS 1 11.505 2.810 3.610 3 HB2 LYS 1 2HB LYS 1 13.864 2.522 1.746 4 HB3 LYS 1 1HB LYS 1 13.425 3.983 2.624 5 HG2 LYS 1 2HG LYS 1 13.665 2.692 4.719 6 HG3 LYS 1 1HG LYS 1 14.313 1.366 3.772 7 HD2 LYS 1 2HD LYS 1 16.119 2.789 2.941 8 HD3 LYS 1 1HD LYS 1 15.496 4.142 3.889 9 HE2 LYS 1 2HE LYS 1 15.861 2.867 5.939 10 HE3 LYS 1 1HE LYS 1 16.479 1.519 4.984 11 HZ1 LYS 1 1HZ LYS 1 18.261 2.947 4.206 12 HZ2 LYS 1 2HZ LYS 1 18.280 2.823 5.879 13 HZ3 LYS 1 3HZ LYS 1 17.688 4.224 5.148 14 H TRP 2 HN TRP 2 10.409 1.153 1.396 15 HA TRP 2 HA TRP 2 9.883 3.266 -0.586 16 HB2 TRP 2 2HB TRP 2 10.906 1.350 -1.618 17 HB3 TRP 2 1HB TRP 2 9.813 0.253 -0.800 18 HD1 TRP 2 1HD TRP 2 9.166 3.276 -3.195 19 HE1 TRP 2 1HE TRP 2 7.527 2.464 -5.028 20 HE3 TRP 2 3HE TRP 2 8.628 -1.567 -1.708 21 HZ2 TRP 2 2HZ TRP 2 6.210 0.070 -5.743 22 HZ3 TRP 2 3HZ TRP 2 7.178 -3.060 -3.021 23 HH2 TRP 2 2HH TRP 2 5.997 -2.253 -4.992 24 H CYS 3 HN CYS 3 7.956 4.207 -0.399 25 HA CYS 3 HA CYS 3 5.808 2.689 0.876 26 HB2 CYS 3 2HB CYS 3 6.229 5.682 0.742 27 HB3 CYS 3 1HB CYS 3 4.837 4.889 1.473 28 H PHE 4 HN PHE 4 4.222 2.115 -0.335 29 HA PHE 4 HA PHE 4 3.807 3.497 -2.869 30 HB2 PHE 4 2HB PHE 4 3.440 1.310 -3.968 31 HB3 PHE 4 1HB PHE 4 5.075 1.487 -3.361 32 HD1 PHE 4 1HD PHE 4 2.296 -0.650 -3.567 33 HD2 PHE 4 2HD PHE 4 5.483 0.430 -0.963 34 HE1 PHE 4 1HE PHE 4 2.082 -2.805 -2.401 35 HE2 PHE 4 2HE PHE 4 5.258 -1.712 0.208 36 HZ PHE 4 HZ PHE 4 3.558 -3.336 -0.514 37 H ARG 5 HN ARG 5 1.710 3.035 -3.824 38 HA ARG 5 HA ARG 5 -0.343 3.128 -1.749 39 HB2 ARG 5 2HB ARG 5 -0.148 4.968 -3.441 40 HB3 ARG 5 1HB ARG 5 -0.508 3.794 -4.695 41 HG2 ARG 5 2HG ARG 5 -2.707 3.400 -3.680 42 HG3 ARG 5 1HG ARG 5 -2.330 4.599 -2.441 43 HD2 ARG 5 2HD ARG 5 -2.040 6.288 -4.219 44 HD3 ARG 5 1HD ARG 5 -2.533 5.088 -5.412 45 HE ARG 5 HE ARG 5 -4.303 5.785 -3.197 46 HH11 ARG 5 1HH1 ARG 5 -3.698 5.707 -6.719 47 HH12 ARG 5 2HH1 ARG 5 -5.231 6.273 -7.140 48 HH21 ARG 5 1HH2 ARG 5 -6.499 6.556 -3.854 49 HH22 ARG 5 2HH2 ARG 5 -6.841 6.739 -5.502 50 H VAL 6 HN VAL 6 -1.823 1.542 -1.587 51 HA VAL 6 HA VAL 6 -1.814 -0.534 -3.668 52 HB VAL 6 HB VAL 6 -2.405 -0.982 -0.739 53 HG11 VAL 6 1HG1 VAL 6 -3.407 -2.601 -2.221 54 HG12 VAL 6 2HG1 VAL 6 -2.122 -3.351 -1.275 55 HG13 VAL 6 3HG1 VAL 6 -1.840 -2.928 -2.965 56 HG21 VAL 6 1HG2 VAL 6 -0.198 -2.053 -0.527 57 HG22 VAL 6 2HG2 VAL 6 -0.074 -0.331 -0.886 58 HG23 VAL 6 3HG2 VAL 6 0.199 -1.518 -2.160 59 H CYS 7 HN CYS 7 -3.740 -0.602 -4.594 60 HA CYS 7 HA CYS 7 -6.057 0.279 -3.050 61 HB2 CYS 7 2HB CYS 7 -5.640 0.160 -6.043 62 HB3 CYS 7 1HB CYS 7 -7.169 0.554 -5.255 63 H TYR 8 HN TYR 8 -7.254 -1.231 -2.305 64 HA TYR 8 HA TYR 8 -7.380 -3.778 -3.710 65 HB2 TYR 8 2HB TYR 8 -5.816 -3.879 -1.766 66 HB3 TYR 8 1HB TYR 8 -7.135 -3.372 -0.722 67 HD1 TYR 8 1HD TYR 8 -5.973 -6.085 -2.950 68 HD2 TYR 8 2HD TYR 8 -8.669 -4.968 0.140 69 HE1 TYR 8 1HE TYR 8 -6.564 -8.440 -2.625 70 HE2 TYR 8 2HE TYR 8 -9.267 -7.319 0.475 71 HH TYR 8 HH TYR 8 -9.211 -9.488 -1.024 72 H ARG 9 HN ARG 9 -9.382 -3.838 -4.375 73 HA ARG 9 HA ARG 9 -11.608 -3.920 -4.460 74 HB2 ARG 9 2HB ARG 9 -11.388 -3.960 -1.454 75 HB3 ARG 9 1HB ARG 9 -12.898 -4.173 -2.321 76 HG2 ARG 9 2HG ARG 9 -12.025 -6.179 -3.374 77 HG3 ARG 9 1HG ARG 9 -10.488 -5.964 -2.528 78 HD2 ARG 9 2HD ARG 9 -11.953 -7.597 -1.411 79 HD3 ARG 9 1HD ARG 9 -11.609 -6.201 -0.393 80 HE ARG 9 HE ARG 9 -13.976 -5.741 -1.827 81 HH11 ARG 9 1HH1 ARG 9 -12.798 -7.772 0.830 82 HH12 ARG 9 2HH1 ARG 9 -14.308 -7.867 1.601 83 HH21 ARG 9 1HH2 ARG 9 -16.053 -5.852 -0.744 84 HH22 ARG 9 2HH2 ARG 9 -16.204 -6.766 0.671 85 H GLY 10 HN GLY 10 -10.187 -1.314 -4.266 86 HA2 GLY 10 2HA GLY 10 -11.253 0.758 -4.836 87 HA3 GLY 10 1HA GLY 10 -12.565 0.338 -3.742 88 H ILE 11 HN ILE 11 -10.465 -0.627 -1.818 89 HA ILE 11 HA ILE 11 -10.161 1.912 -0.470 90 HB ILE 11 HB ILE 11 -9.446 -0.892 0.460 91 HG12 ILE 11 2HG1 ILE 11 -11.920 0.746 1.088 92 HG13 ILE 11 1HG1 ILE 11 -11.873 -0.596 -0.047 93 HG21 ILE 11 1HG2 ILE 11 -9.444 0.097 2.714 94 HG22 ILE 11 2HG2 ILE 11 -9.776 1.682 2.018 95 HG23 ILE 11 3HG2 ILE 11 -8.248 0.874 1.673 96 HD11 ILE 11 1HD1 ILE 11 -11.297 -2.110 1.781 97 HD12 ILE 11 2HD1 ILE 11 -12.810 -1.259 2.095 98 HD13 ILE 11 3HD1 ILE 11 -11.328 -0.756 2.909 99 H CYS 12 HN CYS 12 -8.378 3.039 -0.873 100 HA CYS 12 HA CYS 12 -5.950 1.575 -1.584 101 HB2 CYS 12 2HB CYS 12 -6.488 4.518 -1.990 102 HB3 CYS 12 1HB CYS 12 -5.115 3.603 -2.563 103 H TYR 13 HN TYR 13 -4.317 1.586 -0.330 104 HA TYR 13 HA TYR 13 -4.162 3.535 1.811 105 HB2 TYR 13 2HB TYR 13 -3.396 1.647 3.327 106 HB3 TYR 13 1HB TYR 13 -5.109 1.689 2.954 107 HD1 TYR 13 1HD TYR 13 -6.152 -0.122 1.769 108 HD2 TYR 13 2HD TYR 13 -1.945 -0.072 2.332 109 HE1 TYR 13 1HE TYR 13 -6.049 -2.469 1.091 110 HE2 TYR 13 2HE TYR 13 -1.825 -2.430 1.646 111 HH TYR 13 HH TYR 13 -4.319 -4.041 0.127 112 H ARG 14 HN ARG 14 -2.023 3.614 2.755 113 HA ARG 14 HA ARG 14 0.020 3.154 0.725 114 HB2 ARG 14 2HB ARG 14 -0.223 5.124 2.980 115 HB3 ARG 14 1HB ARG 14 1.330 4.781 2.234 116 HG2 ARG 14 2HG ARG 14 -1.074 5.706 0.691 117 HG3 ARG 14 1HG ARG 14 0.140 6.800 1.362 118 HD2 ARG 14 2HD ARG 14 1.873 5.712 0.071 119 HD3 ARG 14 1HD ARG 14 0.718 4.546 -0.561 120 HE ARG 14 HE ARG 14 -0.332 6.914 -1.266 121 HH11 ARG 14 1HH1 ARG 14 2.933 5.540 -1.711 122 HH12 ARG 14 2HH1 ARG 14 3.191 6.310 -3.199 123 HH21 ARG 14 1HH2 ARG 14 0.057 7.916 -3.349 124 HH22 ARG 14 2HH2 ARG 14 1.520 7.686 -4.152 125 H ARG 15 HN ARG 15 1.465 1.672 1.040 126 HA ARG 15 HA ARG 15 1.993 0.794 3.785 127 HB2 ARG 15 2HB ARG 15 1.799 -0.834 1.270 128 HB3 ARG 15 1HB ARG 15 2.678 -1.426 2.679 129 HG2 ARG 15 2HG ARG 15 -0.230 -0.715 2.523 130 HG3 ARG 15 1HG ARG 15 0.415 -2.350 2.454 131 HD2 ARG 15 2HD ARG 15 -0.384 -2.012 4.680 132 HD3 ARG 15 1HD ARG 15 1.373 -1.949 4.762 133 HE ARG 15 HE ARG 15 0.219 0.650 4.454 134 HH11 ARG 15 1HH1 ARG 15 0.891 -1.808 6.907 135 HH12 ARG 15 2HH1 ARG 15 0.877 -0.675 8.190 136 HH21 ARG 15 1HH2 ARG 15 0.224 2.146 6.193 137 HH22 ARG 15 2HH2 ARG 15 0.516 1.594 7.777 138 H CYS 16 HN CYS 16 4.109 0.392 4.288 139 HA CYS 16 HA CYS 16 6.007 1.279 2.264 140 HB2 CYS 16 2HB CYS 16 6.176 1.665 5.263 141 HB3 CYS 16 1HB CYS 16 7.410 2.142 4.101 142 H ARG 17 HN ARG 17 7.155 -0.248 1.580 143 HA ARG 17 HA ARG 17 7.710 -2.563 3.284 144 HB2 ARG 17 2HB ARG 17 6.440 -3.032 1.202 145 HB3 ARG 17 1HB ARG 17 7.731 -2.313 0.255 146 HG2 ARG 17 2HG ARG 17 9.207 -4.110 0.835 147 HG3 ARG 17 1HG ARG 17 8.037 -4.770 1.978 148 HD2 ARG 17 2HD ARG 17 6.452 -5.091 0.090 149 HD3 ARG 17 1HD ARG 17 7.707 -4.540 -1.013 150 HE ARG 17 HE ARG 17 8.966 -6.527 0.152 151 HH11 ARG 17 1HH1 ARG 17 5.614 -6.467 -1.044 152 HH12 ARG 17 2HH1 ARG 17 5.581 -8.129 -1.392 153 HH21 ARG 17 1HH2 ARG 17 8.894 -8.803 -0.372 154 HH22 ARG 17 2HH2 ARG 17 7.479 -9.477 -1.029 155 H GLY 18 HN GLY 18 9.449 -1.874 4.297 156 HA2 GLY 18 2HA GLY 18 11.727 -1.579 4.545 157 HA3 GLY 18 1HA GLY 18 11.881 -1.467 2.788 Start of MODEL 8 1 H1 LYS 1 HN LYS 1 12.533 0.362 1.938 2 HA LYS 1 HA LYS 1 12.356 2.850 3.493 3 HB2 LYS 1 2HB LYS 1 14.084 3.773 2.026 4 HB3 LYS 1 1HB LYS 1 14.644 2.325 2.848 5 HG2 LYS 1 2HG LYS 1 14.360 1.030 0.838 6 HG3 LYS 1 1HG LYS 1 13.650 2.417 0.007 7 HD2 LYS 1 2HD LYS 1 15.767 3.637 0.290 8 HD3 LYS 1 1HD LYS 1 16.467 2.218 1.073 9 HE2 LYS 1 2HE LYS 1 16.126 0.917 -0.958 10 HE3 LYS 1 1HE LYS 1 15.380 2.306 -1.739 11 HZ1 LYS 1 1HZ LYS 1 18.180 2.177 -0.776 12 HZ2 LYS 1 2HZ LYS 1 17.481 3.487 -1.559 13 HZ3 LYS 1 3HZ LYS 1 17.689 2.031 -2.384 14 H TRP 2 HN TRP 2 10.626 1.230 1.285 15 HA TRP 2 HA TRP 2 9.945 3.676 -0.171 16 HB2 TRP 2 2HB TRP 2 11.067 2.114 -1.656 17 HB3 TRP 2 1HB TRP 2 9.950 0.839 -1.210 18 HD1 TRP 2 1HD TRP 2 9.269 4.461 -2.508 19 HE1 TRP 2 1HE TRP 2 7.647 4.266 -4.539 20 HE3 TRP 2 3HE TRP 2 8.857 -0.621 -2.751 21 HZ2 TRP 2 2HZ TRP 2 6.414 2.230 -6.017 22 HZ3 TRP 2 3HZ TRP 2 7.449 -1.612 -4.505 23 HH2 TRP 2 2HH TRP 2 6.254 -0.211 -6.102 24 H CYS 3 HN CYS 3 7.897 4.281 -0.254 25 HA CYS 3 HA CYS 3 5.881 2.536 0.939 26 HB2 CYS 3 2HB CYS 3 6.126 5.544 1.035 27 HB3 CYS 3 1HB CYS 3 4.725 4.643 1.606 28 H PHE 4 HN PHE 4 4.282 1.995 -0.304 29 HA PHE 4 HA PHE 4 3.817 3.460 -2.791 30 HB2 PHE 4 2HB PHE 4 3.298 1.157 -3.776 31 HB3 PHE 4 1HB PHE 4 4.990 1.522 -3.478 32 HD1 PHE 4 1HD PHE 4 6.213 0.388 -1.707 33 HD2 PHE 4 2HD PHE 4 2.142 -0.550 -2.498 34 HE1 PHE 4 1HE PHE 4 6.439 -1.667 -0.384 35 HE2 PHE 4 2HE PHE 4 2.357 -2.615 -1.172 36 HZ PHE 4 HZ PHE 4 4.505 -3.177 -0.110 37 H ARG 5 HN ARG 5 1.634 3.065 -3.680 38 HA ARG 5 HA ARG 5 -0.263 2.871 -1.460 39 HB2 ARG 5 2HB ARG 5 -0.030 5.039 -2.803 40 HB3 ARG 5 1HB ARG 5 -0.717 4.155 -4.153 41 HG2 ARG 5 2HG ARG 5 -2.749 3.754 -2.872 42 HG3 ARG 5 1HG ARG 5 -2.058 4.623 -1.501 43 HD2 ARG 5 2HD ARG 5 -1.830 6.624 -2.990 44 HD3 ARG 5 1HD ARG 5 -2.722 5.732 -4.222 45 HE ARG 5 HE ARG 5 -3.888 6.150 -1.578 46 HH11 ARG 5 1HH1 ARG 5 -3.991 6.802 -5.072 47 HH12 ARG 5 2HH1 ARG 5 -5.555 7.438 -5.061 48 HH21 ARG 5 1HH2 ARG 5 -6.062 7.097 -1.560 49 HH22 ARG 5 2HH2 ARG 5 -6.762 7.620 -3.019 50 H VAL 6 HN VAL 6 -1.853 1.378 -1.593 51 HA VAL 6 HA VAL 6 -1.887 -0.346 -3.979 52 HB VAL 6 HB VAL 6 -2.304 -1.176 -1.086 53 HG11 VAL 6 1HG1 VAL 6 -2.303 -3.477 -1.943 54 HG12 VAL 6 2HG1 VAL 6 -2.187 -2.847 -3.586 55 HG13 VAL 6 3HG1 VAL 6 -3.624 -2.517 -2.616 56 HG21 VAL 6 1HG2 VAL 6 -0.205 -2.431 -1.300 57 HG22 VAL 6 2HG2 VAL 6 0.043 -0.694 -1.493 58 HG23 VAL 6 3HG2 VAL 6 0.029 -1.745 -2.909 59 H CYS 7 HN CYS 7 -3.889 -0.548 -4.841 60 HA CYS 7 HA CYS 7 -6.131 0.297 -3.185 61 HB2 CYS 7 2HB CYS 7 -5.859 0.249 -6.205 62 HB3 CYS 7 1HB CYS 7 -7.324 0.678 -5.334 63 H TYR 8 HN TYR 8 -7.504 -1.190 -2.596 64 HA TYR 8 HA TYR 8 -7.756 -3.624 -4.126 65 HB2 TYR 8 2HB TYR 8 -5.900 -3.913 -2.432 66 HB3 TYR 8 1HB TYR 8 -7.082 -3.609 -1.179 67 HD1 TYR 8 1HD TYR 8 -6.644 -5.840 -4.136 68 HD2 TYR 8 2HD TYR 8 -8.069 -5.443 -0.152 69 HE1 TYR 8 1HE TYR 8 -7.236 -8.204 -4.123 70 HE2 TYR 8 2HE TYR 8 -8.680 -7.810 -0.125 71 HH TYR 8 HH TYR 8 -9.210 -9.601 -1.725 72 H ARG 9 HN ARG 9 -9.841 -4.002 -4.267 73 HA ARG 9 HA ARG 9 -12.048 -4.084 -3.932 74 HB2 ARG 9 2HB ARG 9 -11.361 -3.695 -1.016 75 HB3 ARG 9 1HB ARG 9 -12.958 -4.106 -1.613 76 HG2 ARG 9 2HG ARG 9 -12.037 -6.194 -2.541 77 HG3 ARG 9 1HG ARG 9 -10.469 -5.780 -1.847 78 HD2 ARG 9 2HD ARG 9 -13.034 -6.182 -0.320 79 HD3 ARG 9 1HD ARG 9 -11.696 -7.332 -0.418 80 HE ARG 9 HE ARG 9 -10.549 -5.059 0.510 81 HH11 ARG 9 1HH1 ARG 9 -13.301 -6.987 1.630 82 HH12 ARG 9 2HH1 ARG 9 -13.048 -6.631 3.276 83 HH21 ARG 9 1HH2 ARG 9 -10.231 -4.553 2.760 84 HH22 ARG 9 2HH2 ARG 9 -11.278 -5.198 3.934 85 H GLY 10 HN GLY 10 -10.562 -1.442 -4.148 86 HA2 GLY 10 2HA GLY 10 -11.593 0.569 -4.786 87 HA3 GLY 10 1HA GLY 10 -12.924 0.218 -3.686 88 H ILE 11 HN ILE 11 -10.375 -0.587 -1.942 89 HA ILE 11 HA ILE 11 -10.237 2.039 -0.662 90 HB ILE 11 HB ILE 11 -9.411 -0.678 0.406 91 HG12 ILE 11 2HG1 ILE 11 -11.929 0.906 0.965 92 HG13 ILE 11 1HG1 ILE 11 -11.832 -0.552 -0.014 93 HG21 ILE 11 1HG2 ILE 11 -9.367 0.444 2.590 94 HG22 ILE 11 2HG2 ILE 11 -9.796 1.967 1.816 95 HG23 ILE 11 3HG2 ILE 11 -8.247 1.206 1.459 96 HD11 ILE 11 1HD1 ILE 11 -12.699 -1.022 2.210 97 HD12 ILE 11 2HD1 ILE 11 -11.225 -0.370 2.928 98 HD13 ILE 11 3HD1 ILE 11 -11.157 -1.834 1.947 99 H CYS 12 HN CYS 12 -8.357 3.147 -0.931 100 HA CYS 12 HA CYS 12 -6.023 1.574 -1.705 101 HB2 CYS 12 2HB CYS 12 -6.387 4.557 -2.052 102 HB3 CYS 12 1HB CYS 12 -5.101 3.559 -2.674 103 H TYR 13 HN TYR 13 -4.314 1.599 -0.469 104 HA TYR 13 HA TYR 13 -4.178 3.484 1.731 105 HB2 TYR 13 2HB TYR 13 -3.410 1.450 3.178 106 HB3 TYR 13 1HB TYR 13 -5.125 1.750 2.940 107 HD1 TYR 13 1HD TYR 13 -6.494 0.024 2.187 108 HD2 TYR 13 2HD TYR 13 -2.305 -0.303 1.574 109 HE1 TYR 13 1HE TYR 13 -6.799 -2.268 1.380 110 HE2 TYR 13 2HE TYR 13 -2.593 -2.599 0.774 111 HH TYR 13 HH TYR 13 -4.259 -4.425 1.042 112 H ARG 14 HN ARG 14 -2.149 3.830 2.557 113 HA ARG 14 HA ARG 14 -0.001 3.356 0.647 114 HB2 ARG 14 2HB ARG 14 -0.404 5.635 1.452 115 HB3 ARG 14 1HB ARG 14 -0.185 5.108 3.110 116 HG2 ARG 14 2HG ARG 14 1.776 6.266 2.394 117 HG3 ARG 14 1HG ARG 14 2.174 4.555 2.555 118 HD2 ARG 14 2HD ARG 14 3.155 5.512 0.532 119 HD3 ARG 14 1HD ARG 14 1.963 4.278 0.138 120 HE ARG 14 HE ARG 14 0.567 6.619 0.085 121 HH11 ARG 14 1HH1 ARG 14 3.552 5.586 -1.560 122 HH12 ARG 14 2HH1 ARG 14 3.170 6.438 -2.985 123 HH21 ARG 14 1HH2 ARG 14 0.122 7.774 -1.853 124 HH22 ARG 14 2HH2 ARG 14 1.200 7.692 -3.174 125 H ARG 15 HN ARG 15 1.301 1.679 0.985 126 HA ARG 15 HA ARG 15 1.757 0.768 3.740 127 HB2 ARG 15 2HB ARG 15 1.591 -0.855 1.193 128 HB3 ARG 15 1HB ARG 15 2.188 -1.504 2.717 129 HG2 ARG 15 2HG ARG 15 -0.552 -0.408 2.216 130 HG3 ARG 15 1HG ARG 15 -0.156 -2.127 2.143 131 HD2 ARG 15 2HD ARG 15 -1.167 -1.749 4.261 132 HD3 ARG 15 1HD ARG 15 0.556 -1.888 4.589 133 HE ARG 15 HE ARG 15 -0.055 0.821 4.231 134 HH11 ARG 15 1HH1 ARG 15 -0.797 -1.716 6.575 135 HH12 ARG 15 2HH1 ARG 15 -0.996 -0.650 7.878 136 HH21 ARG 15 1HH2 ARG 15 -0.313 2.270 5.956 137 HH22 ARG 15 2HH2 ARG 15 -0.724 1.720 7.511 138 H CYS 16 HN CYS 16 3.950 -0.176 4.028 139 HA CYS 16 HA CYS 16 5.848 0.944 2.110 140 HB2 CYS 16 2HB CYS 16 6.072 1.188 5.117 141 HB3 CYS 16 1HB CYS 16 7.225 1.781 3.933 142 H ARG 17 HN ARG 17 7.803 -0.132 1.997 143 HA ARG 17 HA ARG 17 8.168 -2.489 3.654 144 HB2 ARG 17 2HB ARG 17 7.000 -3.228 1.568 145 HB3 ARG 17 1HB ARG 17 8.317 -2.543 0.627 146 HG2 ARG 17 2HG ARG 17 9.877 -4.104 1.670 147 HG3 ARG 17 1HG ARG 17 8.553 -4.792 2.609 148 HD2 ARG 17 2HD ARG 17 7.424 -5.412 0.499 149 HD3 ARG 17 1HD ARG 17 8.816 -4.799 -0.397 150 HE ARG 17 HE ARG 17 9.862 -6.555 1.387 151 HH11 ARG 17 1HH1 ARG 17 7.458 -6.819 -1.193 152 HH12 ARG 17 2HH1 ARG 17 7.718 -8.475 -1.458 153 HH21 ARG 17 1HH2 ARG 17 10.243 -8.823 0.988 154 HH22 ARG 17 2HH2 ARG 17 9.349 -9.629 -0.224 155 H GLY 18 HN GLY 18 9.931 -1.617 4.631 156 HA2 GLY 18 2HA GLY 18 12.238 -1.422 4.769 157 HA3 GLY 18 1HA GLY 18 12.321 -1.462 3.013 Start of MODEL 9 1 H1 LYS 1 HN LYS 1 13.037 1.162 2.567 2 HA LYS 1 HA LYS 1 11.720 3.512 3.637 3 HB2 LYS 1 2HB LYS 1 13.346 4.795 2.357 4 HB3 LYS 1 1HB LYS 1 14.137 3.575 3.340 5 HG2 LYS 1 2HG LYS 1 14.400 2.168 1.351 6 HG3 LYS 1 1HG LYS 1 13.608 3.414 0.383 7 HD2 LYS 1 2HD LYS 1 15.356 5.003 1.002 8 HD3 LYS 1 1HD LYS 1 16.145 3.752 1.958 9 HE2 LYS 1 2HE LYS 1 16.417 2.403 -0.085 10 HE3 LYS 1 1HE LYS 1 15.687 3.709 -1.016 11 HZ1 LYS 1 1HZ LYS 1 18.085 3.789 -1.115 12 HZ2 LYS 1 2HZ LYS 1 18.171 3.866 0.563 13 HZ3 LYS 1 3HZ LYS 1 17.504 5.156 -0.289 14 H TRP 2 HN TRP 2 10.886 1.427 1.311 15 HA TRP 2 HA TRP 2 9.957 3.456 -0.564 16 HB2 TRP 2 2HB TRP 2 11.202 1.728 -1.654 17 HB3 TRP 2 1HB TRP 2 10.310 0.471 -0.812 18 HD1 TRP 2 1HD TRP 2 9.246 3.389 -3.181 19 HE1 TRP 2 1HE TRP 2 7.585 2.412 -4.883 20 HE3 TRP 2 3HE TRP 2 9.186 -1.450 -1.587 21 HZ2 TRP 2 2HZ TRP 2 6.420 -0.066 -5.491 22 HZ3 TRP 2 3HZ TRP 2 7.772 -3.077 -2.789 23 HH2 TRP 2 2HH TRP 2 6.420 -2.392 -4.701 24 H CYS 3 HN CYS 3 7.921 4.091 -0.471 25 HA CYS 3 HA CYS 3 5.979 2.299 0.764 26 HB2 CYS 3 2HB CYS 3 5.980 5.316 0.650 27 HB3 CYS 3 1HB CYS 3 4.676 4.334 1.311 28 H PHE 4 HN PHE 4 4.088 1.945 -0.231 29 HA PHE 4 HA PHE 4 3.760 3.008 -2.911 30 HB2 PHE 4 2HB PHE 4 3.267 0.653 -3.682 31 HB3 PHE 4 1HB PHE 4 4.953 1.002 -3.335 32 HD1 PHE 4 1HD PHE 4 5.988 0.121 -1.256 33 HD2 PHE 4 2HD PHE 4 2.072 -0.998 -2.465 34 HE1 PHE 4 1HE PHE 4 6.075 -1.784 0.268 35 HE2 PHE 4 2HE PHE 4 2.151 -2.913 -0.933 36 HZ PHE 4 HZ PHE 4 4.156 -3.309 0.443 37 H ARG 5 HN ARG 5 1.679 2.721 -3.755 38 HA ARG 5 HA ARG 5 -0.438 2.737 -1.736 39 HB2 ARG 5 2HB ARG 5 -0.339 4.693 -3.150 40 HB3 ARG 5 1HB ARG 5 -0.284 3.700 -4.596 41 HG2 ARG 5 2HG ARG 5 -2.579 2.943 -4.145 42 HG3 ARG 5 1HG ARG 5 -2.626 3.981 -2.717 43 HD2 ARG 5 2HD ARG 5 -2.351 5.945 -4.072 44 HD3 ARG 5 1HD ARG 5 -2.103 4.968 -5.517 45 HE ARG 5 HE ARG 5 -4.526 4.176 -4.734 46 HH11 ARG 5 1HH1 ARG 5 -3.174 7.402 -5.166 47 HH12 ARG 5 2HH1 ARG 5 -4.637 8.130 -5.641 48 HH21 ARG 5 1HH2 ARG 5 -6.592 5.190 -5.405 49 HH22 ARG 5 2HH2 ARG 5 -6.591 6.855 -5.771 50 H VAL 6 HN VAL 6 -1.859 1.107 -1.634 51 HA VAL 6 HA VAL 6 -1.988 -0.779 -3.892 52 HB VAL 6 HB VAL 6 -2.378 -1.460 -0.962 53 HG11 VAL 6 1HG1 VAL 6 -2.226 -3.246 -3.390 54 HG12 VAL 6 2HG1 VAL 6 -3.678 -2.860 -2.471 55 HG13 VAL 6 3HG1 VAL 6 -2.385 -3.791 -1.719 56 HG21 VAL 6 1HG2 VAL 6 -0.033 -2.107 -2.738 57 HG22 VAL 6 2HG2 VAL 6 -0.278 -2.713 -1.100 58 HG23 VAL 6 3HG2 VAL 6 -0.031 -0.988 -1.376 59 H CYS 7 HN CYS 7 -4.013 -0.993 -4.680 60 HA CYS 7 HA CYS 7 -6.131 0.136 -3.023 61 HB2 CYS 7 2HB CYS 7 -5.989 0.004 -6.035 62 HB3 CYS 7 1HB CYS 7 -7.377 0.561 -5.097 63 H TYR 8 HN TYR 8 -7.320 -1.196 -2.125 64 HA TYR 8 HA TYR 8 -7.770 -3.839 -3.274 65 HB2 TYR 8 2HB TYR 8 -6.589 -3.860 -1.117 66 HB3 TYR 8 1HB TYR 8 -7.851 -2.841 -0.438 67 HD1 TYR 8 1HD TYR 8 -9.725 -3.795 0.595 68 HD2 TYR 8 2HD TYR 8 -7.242 -6.239 -1.837 69 HE1 TYR 8 1HE TYR 8 -10.929 -5.763 1.374 70 HE2 TYR 8 2HE TYR 8 -8.444 -8.237 -1.071 71 HH TYR 8 HH TYR 8 -9.818 -8.919 0.922 72 H ARG 9 HN ARG 9 -9.461 -3.395 -4.451 73 HA ARG 9 HA ARG 9 -11.609 -3.131 -5.080 74 HB2 ARG 9 2HB ARG 9 -12.135 -3.755 -2.178 75 HB3 ARG 9 1HB ARG 9 -13.342 -3.822 -3.460 76 HG2 ARG 9 2HG ARG 9 -12.091 -5.561 -4.586 77 HG3 ARG 9 1HG ARG 9 -10.826 -5.455 -3.363 78 HD2 ARG 9 2HD ARG 9 -12.452 -6.117 -1.661 79 HD3 ARG 9 1HD ARG 9 -13.678 -6.292 -2.921 80 HE ARG 9 HE ARG 9 -11.565 -7.785 -3.755 81 HH11 ARG 9 1HH1 ARG 9 -13.719 -7.804 -0.931 82 HH12 ARG 9 2HH1 ARG 9 -13.519 -9.478 -0.642 83 HH21 ARG 9 1HH2 ARG 9 -11.305 -10.083 -3.311 84 HH22 ARG 9 2HH2 ARG 9 -12.127 -10.771 -1.992 85 H GLY 10 HN GLY 10 -10.257 -0.756 -4.343 86 HA2 GLY 10 2HA GLY 10 -11.271 1.409 -4.718 87 HA3 GLY 10 1HA GLY 10 -12.589 0.910 -3.665 88 H ILE 11 HN ILE 11 -10.537 -0.337 -1.833 89 HA ILE 11 HA ILE 11 -10.045 2.086 -0.315 90 HB ILE 11 HB ILE 11 -9.449 -0.802 0.393 91 HG12 ILE 11 2HG1 ILE 11 -11.816 0.905 1.199 92 HG13 ILE 11 1HG1 ILE 11 -11.866 -0.421 0.045 93 HG21 ILE 11 1HG2 ILE 11 -8.114 0.800 1.667 94 HG22 ILE 11 2HG2 ILE 11 -9.306 0.020 2.704 95 HG23 ILE 11 3HG2 ILE 11 -9.580 1.666 2.136 96 HD11 ILE 11 1HD1 ILE 11 -12.717 -1.100 2.222 97 HD12 ILE 11 2HD1 ILE 11 -11.179 -0.652 2.962 98 HD13 ILE 11 3HD1 ILE 11 -11.245 -1.983 1.809 99 H CYS 12 HN CYS 12 -8.233 3.121 -0.893 100 HA CYS 12 HA CYS 12 -5.939 1.485 -1.635 101 HB2 CYS 12 2HB CYS 12 -6.275 4.455 -1.960 102 HB3 CYS 12 1HB CYS 12 -4.965 3.474 -2.568 103 H TYR 13 HN TYR 13 -4.506 1.172 -0.262 104 HA TYR 13 HA TYR 13 -4.206 3.083 1.904 105 HB2 TYR 13 2HB TYR 13 -3.444 1.110 3.310 106 HB3 TYR 13 1HB TYR 13 -5.158 1.196 2.948 107 HD1 TYR 13 1HD TYR 13 -2.007 -0.489 1.949 108 HD2 TYR 13 2HD TYR 13 -6.248 -0.622 1.939 109 HE1 TYR 13 1HE TYR 13 -1.926 -2.817 1.169 110 HE2 TYR 13 2HE TYR 13 -6.187 -2.932 1.151 111 HH TYR 13 HH TYR 13 -3.398 -4.808 1.231 112 H ARG 14 HN ARG 14 -2.102 3.214 2.795 113 HA ARG 14 HA ARG 14 -0.103 2.969 0.681 114 HB2 ARG 14 2HB ARG 14 -0.779 5.182 1.817 115 HB3 ARG 14 1HB ARG 14 0.062 4.568 3.223 116 HG2 ARG 14 2HG ARG 14 1.537 6.031 2.058 117 HG3 ARG 14 1HG ARG 14 2.122 4.382 1.831 118 HD2 ARG 14 2HD ARG 14 2.181 5.740 -0.246 119 HD3 ARG 14 1HD ARG 14 1.182 4.298 -0.397 120 HE ARG 14 HE ARG 14 -0.651 6.116 0.274 121 HH11 ARG 14 1HH1 ARG 14 1.935 6.408 -2.096 122 HH12 ARG 14 2HH1 ARG 14 1.075 7.431 -3.135 123 HH21 ARG 14 1HH2 ARG 14 -1.862 7.486 -1.131 124 HH22 ARG 14 2HH2 ARG 14 -1.169 8.062 -2.574 125 H ARG 15 HN ARG 15 1.329 1.370 0.973 126 HA ARG 15 HA ARG 15 1.917 0.561 3.722 127 HB2 ARG 15 2HB ARG 15 1.718 -1.149 1.247 128 HB3 ARG 15 1HB ARG 15 2.625 -1.667 2.654 129 HG2 ARG 15 2HG ARG 15 -0.303 -1.011 2.597 130 HG3 ARG 15 1HG ARG 15 0.391 -2.637 2.641 131 HD2 ARG 15 2HD ARG 15 0.581 -0.495 4.775 132 HD3 ARG 15 1HD ARG 15 -0.298 -2.014 4.868 133 HE ARG 15 HE ARG 15 2.091 -2.965 4.470 134 HH11 ARG 15 1HH1 ARG 15 1.196 -0.295 6.645 135 HH12 ARG 15 2HH1 ARG 15 2.509 -0.554 7.682 136 HH21 ARG 15 1HH2 ARG 15 3.911 -3.263 5.890 137 HH22 ARG 15 2HH2 ARG 15 4.124 -2.261 7.231 138 H CYS 16 HN CYS 16 4.095 -0.174 4.082 139 HA CYS 16 HA CYS 16 5.931 1.014 2.179 140 HB2 CYS 16 2HB CYS 16 5.993 1.366 5.177 141 HB3 CYS 16 1HB CYS 16 7.254 1.900 4.071 142 H ARG 17 HN ARG 17 7.728 -0.035 1.866 143 HA ARG 17 HA ARG 17 8.299 -2.400 3.474 144 HB2 ARG 17 2HB ARG 17 7.188 -3.054 1.375 145 HB3 ARG 17 1HB ARG 17 8.378 -2.144 0.458 146 HG2 ARG 17 2HG ARG 17 10.110 -3.661 1.214 147 HG3 ARG 17 1HG ARG 17 8.917 -4.553 2.168 148 HD2 ARG 17 2HD ARG 17 7.660 -5.036 0.132 149 HD3 ARG 17 1HD ARG 17 8.863 -4.176 -0.820 150 HE ARG 17 HE ARG 17 10.356 -5.951 0.441 151 HH11 ARG 17 1HH1 ARG 17 7.321 -6.346 -1.369 152 HH12 ARG 17 2HH1 ARG 17 7.678 -7.950 -1.832 153 HH21 ARG 17 1HH2 ARG 17 10.771 -8.168 -0.201 154 HH22 ARG 17 2HH2 ARG 17 9.622 -8.993 -1.150 155 H GLY 18 HN GLY 18 9.922 -1.444 4.536 156 HA2 GLY 18 2HA GLY 18 12.076 -0.698 4.847 157 HA3 GLY 18 1HA GLY 18 12.324 -0.802 3.101 Start of MODEL 10 1 H1 LYS 1 HN LYS 1 12.617 1.180 2.314 2 HA LYS 1 HA LYS 1 11.550 3.612 3.519 3 HB2 LYS 1 2HB LYS 1 13.488 3.246 1.228 4 HB3 LYS 1 1HB LYS 1 13.130 4.760 2.041 5 HG2 LYS 1 2HG LYS 1 14.020 3.832 4.112 6 HG3 LYS 1 1HG LYS 1 14.434 2.349 3.268 7 HD2 LYS 1 2HD LYS 1 15.905 3.580 1.752 8 HD3 LYS 1 1HD LYS 1 15.506 5.086 2.574 9 HE2 LYS 1 2HE LYS 1 16.855 2.704 3.843 10 HE3 LYS 1 1HE LYS 1 17.678 4.158 3.292 11 HZ1 LYS 1 1HZ LYS 1 16.330 5.428 4.917 12 HZ2 LYS 1 2HZ LYS 1 17.317 4.292 5.627 13 HZ3 LYS 1 3HZ LYS 1 15.680 3.971 5.486 14 H TRP 2 HN TRP 2 10.921 1.494 1.134 15 HA TRP 2 HA TRP 2 9.724 3.303 -0.789 16 HB2 TRP 2 2HB TRP 2 11.059 1.500 -1.658 17 HB3 TRP 2 1HB TRP 2 10.150 0.317 -0.737 18 HD1 TRP 2 1HD TRP 2 8.813 3.042 -3.173 19 HE1 TRP 2 1HE TRP 2 7.427 1.843 -4.985 20 HE3 TRP 2 3HE TRP 2 9.590 -1.796 -1.741 21 HZ2 TRP 2 2HZ TRP 2 6.770 -0.793 -5.725 22 HZ3 TRP 2 3HZ TRP 2 8.559 -3.603 -3.067 23 HH2 TRP 2 2HH TRP 2 7.177 -3.101 -5.016 24 H CYS 3 HN CYS 3 7.777 4.033 -0.303 25 HA CYS 3 HA CYS 3 5.819 2.173 0.837 26 HB2 CYS 3 2HB CYS 3 5.908 5.191 1.026 27 HB3 CYS 3 1HB CYS 3 4.635 4.165 1.675 28 H PHE 4 HN PHE 4 4.298 1.567 -0.460 29 HA PHE 4 HA PHE 4 3.750 3.190 -2.817 30 HB2 PHE 4 2HB PHE 4 3.251 0.966 -3.947 31 HB3 PHE 4 1HB PHE 4 4.940 1.319 -3.616 32 HD1 PHE 4 1HD PHE 4 6.151 0.086 -1.902 33 HD2 PHE 4 2HD PHE 4 2.101 -0.821 -2.800 34 HE1 PHE 4 1HE PHE 4 6.371 -2.034 -0.710 35 HE2 PHE 4 2HE PHE 4 2.319 -2.951 -1.603 36 HZ PHE 4 HZ PHE 4 4.457 -3.560 -0.551 37 H ARG 5 HN ARG 5 1.683 3.146 -3.627 38 HA ARG 5 HA ARG 5 -0.374 2.861 -1.607 39 HB2 ARG 5 2HB ARG 5 -0.328 4.923 -2.860 40 HB3 ARG 5 1HB ARG 5 -0.345 4.048 -4.381 41 HG2 ARG 5 2HG ARG 5 -2.594 3.264 -3.932 42 HG3 ARG 5 1HG ARG 5 -2.579 4.074 -2.365 43 HD2 ARG 5 2HD ARG 5 -2.429 6.225 -3.410 44 HD3 ARG 5 1HD ARG 5 -2.183 5.459 -4.986 45 HE ARG 5 HE ARG 5 -4.480 4.479 -4.524 46 HH11 ARG 5 1HH1 ARG 5 -3.524 7.773 -3.596 47 HH12 ARG 5 2HH1 ARG 5 -5.088 8.422 -3.748 48 HH21 ARG 5 1HH2 ARG 5 -6.665 5.391 -4.709 49 HH22 ARG 5 2HH2 ARG 5 -6.919 7.033 -4.389 50 H VAL 6 HN VAL 6 -1.608 1.186 -1.496 51 HA VAL 6 HA VAL 6 -1.789 -0.657 -3.791 52 HB VAL 6 HB VAL 6 -2.192 -1.277 -0.843 53 HG11 VAL 6 1HG1 VAL 6 -3.526 -2.709 -2.294 54 HG12 VAL 6 2HG1 VAL 6 -2.232 -3.624 -1.523 55 HG13 VAL 6 3HG1 VAL 6 -2.083 -3.141 -3.212 56 HG21 VAL 6 1HG2 VAL 6 -0.110 -2.545 -0.974 57 HG22 VAL 6 2HG2 VAL 6 0.149 -0.830 -1.309 58 HG23 VAL 6 3HG2 VAL 6 0.115 -1.995 -2.633 59 H CYS 7 HN CYS 7 -3.768 -0.752 -4.661 60 HA CYS 7 HA CYS 7 -5.976 0.224 -3.042 61 HB2 CYS 7 2HB CYS 7 -5.626 0.155 -6.045 62 HB3 CYS 7 1HB CYS 7 -7.101 0.655 -5.220 63 H TYR 8 HN TYR 8 -7.320 -1.180 -2.363 64 HA TYR 8 HA TYR 8 -7.675 -3.703 -3.785 65 HB2 TYR 8 2HB TYR 8 -6.040 -4.039 -1.946 66 HB3 TYR 8 1HB TYR 8 -7.191 -3.335 -0.827 67 HD1 TYR 8 1HD TYR 8 -8.936 -4.647 0.128 68 HD2 TYR 8 2HD TYR 8 -6.514 -6.320 -2.930 69 HE1 TYR 8 1HE TYR 8 -9.838 -6.831 0.641 70 HE2 TYR 8 2HE TYR 8 -7.425 -8.552 -2.421 71 HH TYR 8 HH TYR 8 -8.540 -9.755 -0.609 72 H ARG 9 HN ARG 9 -9.717 -3.678 -4.311 73 HA ARG 9 HA ARG 9 -11.925 -3.502 -4.321 74 HB2 ARG 9 2HB ARG 9 -11.615 -3.599 -1.316 75 HB3 ARG 9 1HB ARG 9 -13.158 -3.719 -2.154 76 HG2 ARG 9 2HG ARG 9 -12.357 -5.720 -3.315 77 HG3 ARG 9 1HG ARG 9 -10.836 -5.610 -2.431 78 HD2 ARG 9 2HD ARG 9 -12.029 -5.893 -0.339 79 HD3 ARG 9 1HD ARG 9 -13.565 -5.959 -1.211 80 HE ARG 9 HE ARG 9 -11.848 -7.878 -2.272 81 HH11 ARG 9 1HH1 ARG 9 -13.663 -7.285 0.668 82 HH12 ARG 9 2HH1 ARG 9 -13.850 -8.925 1.084 83 HH21 ARG 9 1HH2 ARG 9 -12.063 -10.125 -1.726 84 HH22 ARG 9 2HH2 ARG 9 -12.894 -10.588 -0.316 85 H GLY 10 HN GLY 10 -10.314 -1.142 -4.365 86 HA2 GLY 10 2HA GLY 10 -11.148 0.975 -4.975 87 HA3 GLY 10 1HA GLY 10 -12.493 0.736 -3.870 88 H ILE 11 HN ILE 11 -10.641 -0.192 -1.750 89 HA ILE 11 HA ILE 11 -10.005 2.438 -0.764 90 HB ILE 11 HB ILE 11 -9.827 -0.285 0.529 91 HG12 ILE 11 2HG1 ILE 11 -12.046 0.457 -0.087 92 HG13 ILE 11 1HG1 ILE 11 -11.866 0.274 1.664 93 HG21 ILE 11 1HG2 ILE 11 -9.600 0.912 2.669 94 HG22 ILE 11 2HG2 ILE 11 -9.541 2.444 1.795 95 HG23 ILE 11 3HG2 ILE 11 -8.253 1.261 1.582 96 HD11 ILE 11 1HD1 ILE 11 -11.613 2.742 1.783 97 HD12 ILE 11 2HD1 ILE 11 -13.181 2.239 1.140 98 HD13 ILE 11 3HD1 ILE 11 -11.922 2.823 0.046 99 H CYS 12 HN CYS 12 -8.112 3.191 -0.703 100 HA CYS 12 HA CYS 12 -5.878 1.453 -1.487 101 HB2 CYS 12 2HB CYS 12 -6.061 4.435 -1.850 102 HB3 CYS 12 1HB CYS 12 -4.784 3.378 -2.421 103 H TYR 13 HN TYR 13 -4.178 1.326 -0.262 104 HA TYR 13 HA TYR 13 -3.897 3.183 1.939 105 HB2 TYR 13 2HB TYR 13 -3.198 1.143 3.350 106 HB3 TYR 13 1HB TYR 13 -4.911 1.449 3.099 107 HD1 TYR 13 1HD TYR 13 -2.070 -0.651 1.942 108 HD2 TYR 13 2HD TYR 13 -6.287 -0.173 2.123 109 HE1 TYR 13 1HE TYR 13 -2.368 -2.949 1.137 110 HE2 TYR 13 2HE TYR 13 -6.596 -2.442 1.313 111 HH TYR 13 HH TYR 13 -5.395 -4.148 0.095 112 H ARG 14 HN ARG 14 -1.873 3.552 2.623 113 HA ARG 14 HA ARG 14 0.187 3.062 0.680 114 HB2 ARG 14 2HB ARG 14 -0.165 5.294 1.672 115 HB3 ARG 14 1HB ARG 14 0.213 4.643 3.257 116 HG2 ARG 14 2HG ARG 14 2.107 5.827 2.430 117 HG3 ARG 14 1HG ARG 14 2.489 4.104 2.439 118 HD2 ARG 14 2HD ARG 14 3.295 5.146 0.386 119 HD3 ARG 14 1HD ARG 14 2.007 4.003 0.022 120 HE ARG 14 HE ARG 14 0.839 6.480 0.352 121 HH11 ARG 14 1HH1 ARG 14 3.284 5.120 -1.878 122 HH12 ARG 14 2HH1 ARG 14 2.749 6.081 -3.185 123 HH21 ARG 14 1HH2 ARG 14 0.178 7.746 -1.479 124 HH22 ARG 14 2HH2 ARG 14 0.996 7.582 -2.972 125 H ARG 15 HN ARG 15 1.188 1.176 0.809 126 HA ARG 15 HA ARG 15 1.797 0.042 3.427 127 HB2 ARG 15 2HB ARG 15 1.726 -1.095 0.677 128 HB3 ARG 15 1HB ARG 15 2.527 -1.972 2.001 129 HG2 ARG 15 2HG ARG 15 -0.339 -1.158 1.708 130 HG3 ARG 15 1HG ARG 15 0.292 -2.793 1.548 131 HD2 ARG 15 2HD ARG 15 0.283 -1.131 4.081 132 HD3 ARG 15 1HD ARG 15 -0.755 -2.510 3.735 133 HE ARG 15 HE ARG 15 1.694 -3.542 3.424 134 HH11 ARG 15 1HH1 ARG 15 0.246 -1.713 6.109 135 HH12 ARG 15 2HH1 ARG 15 1.248 -2.456 7.281 136 HH21 ARG 15 1HH2 ARG 15 2.980 -4.566 5.066 137 HH22 ARG 15 2HH2 ARG 15 2.835 -4.072 6.681 138 H CYS 16 HN CYS 16 3.735 0.056 4.163 139 HA CYS 16 HA CYS 16 5.838 1.099 2.429 140 HB2 CYS 16 2HB CYS 16 5.533 1.160 5.406 141 HB3 CYS 16 1HB CYS 16 7.009 1.640 4.574 142 H ARG 17 HN ARG 17 7.415 -0.107 1.851 143 HA ARG 17 HA ARG 17 8.054 -2.467 3.442 144 HB2 ARG 17 2HB ARG 17 6.859 -3.078 1.343 145 HB3 ARG 17 1HB ARG 17 8.065 -2.185 0.433 146 HG2 ARG 17 2HG ARG 17 9.775 -3.756 1.123 147 HG3 ARG 17 1HG ARG 17 8.585 -4.645 2.078 148 HD2 ARG 17 2HD ARG 17 7.333 -5.199 0.113 149 HD3 ARG 17 1HD ARG 17 8.352 -4.164 -0.885 150 HE ARG 17 HE ARG 17 10.016 -5.980 0.318 151 HH11 ARG 17 1HH1 ARG 17 7.229 -6.186 -1.868 152 HH12 ARG 17 2HH1 ARG 17 7.833 -7.527 -2.725 153 HH21 ARG 17 1HH2 ARG 17 10.831 -7.857 -0.887 154 HH22 ARG 17 2HH2 ARG 17 9.902 -8.489 -2.151 155 H GLY 18 HN GLY 18 9.573 -1.190 4.488 156 HA2 GLY 18 2HA GLY 18 11.808 -0.666 4.764 157 HA3 GLY 18 1HA GLY 18 12.025 -0.738 3.012 Start of MODEL 11 1 H1 LYS 1 HN LYS 1 12.493 0.167 2.238 2 HA LYS 1 HA LYS 1 12.139 2.979 2.953 3 HB2 LYS 1 2HB LYS 1 13.859 3.435 1.261 4 HB3 LYS 1 1HB LYS 1 14.410 2.262 2.444 5 HG2 LYS 1 2HG LYS 1 13.943 0.451 0.823 6 HG3 LYS 1 1HG LYS 1 13.465 1.669 -0.360 7 HD2 LYS 1 2HD LYS 1 15.700 2.647 -0.273 8 HD3 LYS 1 1HD LYS 1 16.181 1.465 0.943 9 HE2 LYS 1 2HE LYS 1 17.011 0.766 -1.221 10 HE3 LYS 1 1HE LYS 1 15.754 -0.339 -0.691 11 HZ1 LYS 1 1HZ LYS 1 14.187 0.819 -2.167 12 HZ2 LYS 1 2HZ LYS 1 15.476 0.171 -2.981 13 HZ3 LYS 1 3HZ LYS 1 15.427 1.830 -2.712 14 H TRP 2 HN TRP 2 10.428 0.823 1.205 15 HA TRP 2 HA TRP 2 9.817 2.776 -0.885 16 HB2 TRP 2 2HB TRP 2 10.734 0.726 -1.789 17 HB3 TRP 2 1HB TRP 2 9.533 -0.224 -0.932 18 HD1 TRP 2 1HD TRP 2 9.152 2.821 -3.339 19 HE1 TRP 2 1HE TRP 2 7.435 2.167 -5.142 20 HE3 TRP 2 3HE TRP 2 8.202 -1.964 -1.854 21 HZ2 TRP 2 2HZ TRP 2 5.897 -0.091 -5.852 22 HZ3 TRP 2 3HZ TRP 2 6.607 -3.306 -3.154 23 HH2 TRP 2 2HH TRP 2 5.480 -2.385 -5.111 24 H CYS 3 HN CYS 3 8.060 3.862 -0.576 25 HA CYS 3 HA CYS 3 5.799 2.582 0.770 26 HB2 CYS 3 2HB CYS 3 6.465 5.522 0.444 27 HB3 CYS 3 1HB CYS 3 4.998 4.900 1.188 28 H PHE 4 HN PHE 4 4.031 2.268 -0.297 29 HA PHE 4 HA PHE 4 3.646 3.499 -2.893 30 HB2 PHE 4 2HB PHE 4 3.213 1.273 -3.923 31 HB3 PHE 4 1HB PHE 4 4.883 1.509 -3.441 32 HD1 PHE 4 1HD PHE 4 5.408 0.569 -0.956 33 HD2 PHE 4 2HD PHE 4 2.261 -0.762 -3.485 34 HE1 PHE 4 1HE PHE 4 5.354 -1.568 0.248 35 HE2 PHE 4 2HE PHE 4 2.204 -2.901 -2.274 36 HZ PHE 4 HZ PHE 4 3.744 -3.303 -0.411 37 H ARG 5 HN ARG 5 1.522 3.331 -3.674 38 HA ARG 5 HA ARG 5 -0.476 3.110 -1.562 39 HB2 ARG 5 2HB ARG 5 -0.603 5.151 -2.829 40 HB3 ARG 5 1HB ARG 5 -0.540 4.277 -4.349 41 HG2 ARG 5 2HG ARG 5 -2.739 3.382 -3.991 42 HG3 ARG 5 1HG ARG 5 -2.806 4.076 -2.376 43 HD2 ARG 5 2HD ARG 5 -2.845 6.296 -3.262 44 HD3 ARG 5 1HD ARG 5 -2.493 5.708 -4.887 45 HE ARG 5 HE ARG 5 -4.739 4.432 -4.382 46 HH11 ARG 5 1HH1 ARG 5 -4.009 7.842 -3.742 47 HH12 ARG 5 2HH1 ARG 5 -5.566 8.401 -4.103 48 HH21 ARG 5 1HH2 ARG 5 -6.930 5.207 -4.836 49 HH22 ARG 5 2HH2 ARG 5 -7.266 6.868 -4.726 50 H VAL 6 HN VAL 6 -1.827 1.460 -1.436 51 HA VAL 6 HA VAL 6 -1.857 -0.441 -3.677 52 HB VAL 6 HB VAL 6 -2.383 -1.109 -0.782 53 HG11 VAL 6 1HG1 VAL 6 -2.031 -3.424 -1.503 54 HG12 VAL 6 2HG1 VAL 6 -1.799 -2.861 -3.158 55 HG13 VAL 6 3HG1 VAL 6 -3.359 -2.647 -2.366 56 HG21 VAL 6 1HG2 VAL 6 -0.145 -2.110 -0.672 57 HG22 VAL 6 2HG2 VAL 6 -0.074 -0.367 -0.931 58 HG23 VAL 6 3HG2 VAL 6 0.210 -1.472 -2.275 59 H CYS 7 HN CYS 7 -3.792 -0.481 -4.587 60 HA CYS 7 HA CYS 7 -6.079 0.273 -2.955 61 HB2 CYS 7 2HB CYS 7 -5.684 0.340 -5.949 62 HB3 CYS 7 1HB CYS 7 -7.199 0.680 -5.112 63 H TYR 8 HN TYR 8 -7.233 -1.284 -2.290 64 HA TYR 8 HA TYR 8 -7.371 -3.718 -3.887 65 HB2 TYR 8 2HB TYR 8 -5.879 -3.955 -1.883 66 HB3 TYR 8 1HB TYR 8 -7.250 -3.537 -0.867 67 HD1 TYR 8 1HD TYR 8 -5.937 -6.083 -3.211 68 HD2 TYR 8 2HD TYR 8 -8.834 -5.184 -0.239 69 HE1 TYR 8 1HE TYR 8 -6.539 -8.454 -3.096 70 HE2 TYR 8 2HE TYR 8 -9.451 -7.545 -0.107 71 HH TYR 8 HH TYR 8 -7.596 -10.021 -1.426 72 H ARG 9 HN ARG 9 -9.279 -3.545 -4.685 73 HA ARG 9 HA ARG 9 -11.485 -3.574 -4.975 74 HB2 ARG 9 2HB ARG 9 -11.594 -4.033 -1.986 75 HB3 ARG 9 1HB ARG 9 -12.977 -4.188 -3.064 76 HG2 ARG 9 2HG ARG 9 -11.839 -5.979 -4.275 77 HG3 ARG 9 1HG ARG 9 -10.447 -5.816 -3.207 78 HD2 ARG 9 2HD ARG 9 -11.804 -7.678 -2.511 79 HD3 ARG 9 1HD ARG 9 -11.882 -6.405 -1.297 80 HE ARG 9 HE ARG 9 -14.026 -5.976 -2.945 81 HH11 ARG 9 1HH1 ARG 9 -12.919 -8.712 -0.997 82 HH12 ARG 9 2HH1 ARG 9 -14.478 -9.269 -0.629 83 HH21 ARG 9 1HH2 ARG 9 -16.197 -6.754 -2.442 84 HH22 ARG 9 2HH2 ARG 9 -16.360 -8.144 -1.463 85 H GLY 10 HN GLY 10 -10.075 -1.146 -4.485 86 HA2 GLY 10 2HA GLY 10 -11.014 1.019 -4.849 87 HA3 GLY 10 1HA GLY 10 -12.390 0.546 -3.862 88 H ILE 11 HN ILE 11 -10.516 -0.661 -1.890 89 HA ILE 11 HA ILE 11 -10.155 1.731 -0.317 90 HB ILE 11 HB ILE 11 -9.569 -1.178 0.350 91 HG12 ILE 11 2HG1 ILE 11 -11.923 0.573 1.103 92 HG13 ILE 11 1HG1 ILE 11 -11.958 -0.759 -0.042 93 HG21 ILE 11 1HG2 ILE 11 -8.221 0.349 1.712 94 HG22 ILE 11 2HG2 ILE 11 -9.453 -0.446 2.691 95 HG23 ILE 11 3HG2 ILE 11 -9.680 1.227 2.181 96 HD11 ILE 11 1HD1 ILE 11 -11.427 -0.961 2.910 97 HD12 ILE 11 2HD1 ILE 11 -11.458 -2.313 1.780 98 HD13 ILE 11 3HD1 ILE 11 -12.927 -1.385 2.088 99 H CYS 12 HN CYS 12 -8.378 2.871 -0.623 100 HA CYS 12 HA CYS 12 -5.952 1.460 -1.421 101 HB2 CYS 12 2HB CYS 12 -6.524 4.412 -1.610 102 HB3 CYS 12 1HB CYS 12 -5.147 3.553 -2.254 103 H TYR 13 HN TYR 13 -4.339 1.350 -0.138 104 HA TYR 13 HA TYR 13 -4.186 3.181 2.107 105 HB2 TYR 13 2HB TYR 13 -3.353 1.238 3.496 106 HB3 TYR 13 1HB TYR 13 -5.063 1.209 3.108 107 HD1 TYR 13 1HD TYR 13 -5.988 -0.572 1.745 108 HD2 TYR 13 2HD TYR 13 -1.806 -0.367 2.452 109 HE1 TYR 13 1HE TYR 13 -5.754 -2.877 0.948 110 HE2 TYR 13 2HE TYR 13 -1.556 -2.671 1.652 111 HH TYR 13 HH TYR 13 -3.894 -4.380 -0.020 112 H ARG 14 HN ARG 14 -2.095 3.641 2.795 113 HA ARG 14 HA ARG 14 -0.109 3.279 0.691 114 HB2 ARG 14 2HB ARG 14 -0.660 5.559 1.591 115 HB3 ARG 14 1HB ARG 14 -0.030 5.056 3.145 116 HG2 ARG 14 2HG ARG 14 1.713 6.250 2.193 117 HG3 ARG 14 1HG ARG 14 2.149 4.570 1.874 118 HD2 ARG 14 2HD ARG 14 2.522 5.847 -0.129 119 HD3 ARG 14 1HD ARG 14 1.128 4.801 -0.389 120 HE ARG 14 HE ARG 14 0.239 7.274 0.584 121 HH11 ARG 14 1HH1 ARG 14 1.743 6.061 -2.406 122 HH12 ARG 14 2HH1 ARG 14 0.927 7.191 -3.386 123 HH21 ARG 14 1HH2 ARG 14 -0.791 8.802 -0.787 124 HH22 ARG 14 2HH2 ARG 14 -0.537 8.759 -2.469 125 H ARG 15 HN ARG 15 1.267 1.634 0.963 126 HA ARG 15 HA ARG 15 1.942 0.780 3.691 127 HB2 ARG 15 2HB ARG 15 1.933 -0.652 1.070 128 HB3 ARG 15 1HB ARG 15 2.913 -1.263 2.414 129 HG2 ARG 15 2HG ARG 15 -0.048 -0.924 2.209 130 HG3 ARG 15 1HG ARG 15 0.849 -2.436 2.223 131 HD2 ARG 15 2HD ARG 15 1.631 -1.912 4.521 132 HD3 ARG 15 1HD ARG 15 0.605 -0.474 4.508 133 HE ARG 15 HE ARG 15 -0.449 -3.174 4.145 134 HH11 ARG 15 1HH1 ARG 15 -0.556 -0.030 5.837 135 HH12 ARG 15 2HH1 ARG 15 -2.004 -0.394 6.646 136 HH21 ARG 15 1HH2 ARG 15 -2.444 -3.620 5.308 137 HH22 ARG 15 2HH2 ARG 15 -3.098 -2.451 6.343 138 H CYS 16 HN CYS 16 4.128 0.242 4.113 139 HA CYS 16 HA CYS 16 6.063 1.367 2.270 140 HB2 CYS 16 2HB CYS 16 5.914 1.890 5.237 141 HB3 CYS 16 1HB CYS 16 7.313 2.264 4.237 142 H ARG 17 HN ARG 17 7.157 -0.267 1.684 143 HA ARG 17 HA ARG 17 7.741 -2.388 3.582 144 HB2 ARG 17 2HB ARG 17 6.721 -3.022 1.402 145 HB3 ARG 17 1HB ARG 17 8.093 -2.300 0.577 146 HG2 ARG 17 2HG ARG 17 9.575 -3.944 1.594 147 HG3 ARG 17 1HG ARG 17 8.199 -4.658 2.443 148 HD2 ARG 17 2HD ARG 17 7.140 -5.148 0.310 149 HD3 ARG 17 1HD ARG 17 8.519 -4.460 -0.545 150 HE ARG 17 HE ARG 17 9.309 -6.477 1.260 151 HH11 ARG 17 1HH1 ARG 17 7.806 -6.026 -1.893 152 HH12 ARG 17 2HH1 ARG 17 8.312 -7.518 -2.532 153 HH21 ARG 17 1HH2 ARG 17 10.016 -8.577 0.391 154 HH22 ARG 17 2HH2 ARG 17 9.612 -8.977 -1.213 155 H GLY 18 HN GLY 18 9.301 -1.351 4.722 156 HA2 GLY 18 2HA GLY 18 11.444 -0.791 5.231 157 HA3 GLY 18 1HA GLY 18 11.909 -1.316 3.615 Start of MODEL 12 1 H1 LYS 1 HN LYS 1 12.746 0.649 2.255 2 HA LYS 1 HA LYS 1 11.924 3.159 3.527 3 HB2 LYS 1 2HB LYS 1 13.797 4.222 2.272 4 HB3 LYS 1 1HB LYS 1 14.321 2.987 3.404 5 HG2 LYS 1 2HG LYS 1 14.532 1.406 1.516 6 HG3 LYS 1 1HG LYS 1 14.112 2.716 0.407 7 HD2 LYS 1 2HD LYS 1 16.064 3.976 1.145 8 HD3 LYS 1 1HD LYS 1 16.446 2.713 2.315 9 HE2 LYS 1 2HE LYS 1 16.741 1.117 0.464 10 HE3 LYS 1 1HE LYS 1 16.413 2.410 -0.684 11 HZ1 LYS 1 1HZ LYS 1 18.684 2.362 1.238 12 HZ2 LYS 1 2HZ LYS 1 18.404 3.562 0.090 13 HZ3 LYS 1 3HZ LYS 1 18.789 2.007 -0.398 14 H TRP 2 HN TRP 2 10.850 1.221 1.257 15 HA TRP 2 HA TRP 2 10.101 3.353 -0.600 16 HB2 TRP 2 2HB TRP 2 11.159 1.500 -1.720 17 HB3 TRP 2 1HB TRP 2 10.143 0.341 -0.880 18 HD1 TRP 2 1HD TRP 2 9.256 3.442 -3.066 19 HE1 TRP 2 1HE TRP 2 7.534 2.699 -4.813 20 HE3 TRP 2 3HE TRP 2 8.979 -1.505 -1.860 21 HZ2 TRP 2 2HZ TRP 2 6.220 0.308 -5.588 22 HZ3 TRP 2 3HZ TRP 2 7.466 -2.960 -3.154 23 HH2 TRP 2 2HH TRP 2 6.120 -2.062 -4.983 24 H CYS 3 HN CYS 3 8.009 4.007 -0.645 25 HA CYS 3 HA CYS 3 6.087 2.343 0.753 26 HB2 CYS 3 2HB CYS 3 6.317 5.352 0.799 27 HB3 CYS 3 1HB CYS 3 4.923 4.460 1.403 28 H PHE 4 HN PHE 4 4.092 2.139 -0.143 29 HA PHE 4 HA PHE 4 3.774 3.247 -2.804 30 HB2 PHE 4 2HB PHE 4 3.174 0.909 -3.603 31 HB3 PHE 4 1HB PHE 4 4.877 1.218 -3.299 32 HD1 PHE 4 1HD PHE 4 1.951 -0.679 -2.286 33 HD2 PHE 4 2HD PHE 4 5.984 0.235 -1.334 34 HE1 PHE 4 1HE PHE 4 2.033 -2.609 -0.760 35 HE2 PHE 4 2HE PHE 4 6.071 -1.683 0.190 36 HZ PHE 4 HZ PHE 4 4.089 -3.112 0.481 37 H ARG 5 HN ARG 5 1.699 2.945 -3.673 38 HA ARG 5 HA ARG 5 -0.453 3.140 -1.712 39 HB2 ARG 5 2HB ARG 5 -0.265 4.877 -3.427 40 HB3 ARG 5 1HB ARG 5 -0.310 3.657 -4.683 41 HG2 ARG 5 2HG ARG 5 -2.587 3.080 -4.105 42 HG3 ARG 5 1HG ARG 5 -2.556 4.224 -2.766 43 HD2 ARG 5 2HD ARG 5 -2.270 6.066 -4.300 44 HD3 ARG 5 1HD ARG 5 -2.174 4.953 -5.664 45 HE ARG 5 HE ARG 5 -4.474 4.274 -4.973 46 HH11 ARG 5 1HH1 ARG 5 -3.300 7.552 -4.318 47 HH12 ARG 5 2HH1 ARG 5 -4.799 8.310 -4.565 48 HH21 ARG 5 1HH2 ARG 5 -6.589 5.339 -5.275 49 HH22 ARG 5 2HH2 ARG 5 -6.716 7.014 -5.111 50 H VAL 6 HN VAL 6 -1.911 1.549 -1.463 51 HA VAL 6 HA VAL 6 -1.924 -0.592 -3.475 52 HB VAL 6 HB VAL 6 -2.554 -0.955 -0.547 53 HG11 VAL 6 1HG1 VAL 6 -3.575 -2.576 -2.030 54 HG12 VAL 6 2HG1 VAL 6 -2.330 -3.344 -1.045 55 HG13 VAL 6 3HG1 VAL 6 -2.002 -2.956 -2.735 56 HG21 VAL 6 1HG2 VAL 6 -0.384 -2.029 -0.264 57 HG22 VAL 6 2HG2 VAL 6 -0.195 -0.343 -0.749 58 HG23 VAL 6 3HG2 VAL 6 0.032 -1.635 -1.930 59 H CYS 7 HN CYS 7 -3.844 -0.704 -4.401 60 HA CYS 7 HA CYS 7 -6.143 0.251 -2.884 61 HB2 CYS 7 2HB CYS 7 -5.769 0.040 -5.880 62 HB3 CYS 7 1HB CYS 7 -7.238 0.578 -5.068 63 H TYR 8 HN TYR 8 -7.478 -1.224 -2.221 64 HA TYR 8 HA TYR 8 -7.499 -3.805 -3.582 65 HB2 TYR 8 2HB TYR 8 -6.053 -3.799 -1.501 66 HB3 TYR 8 1HB TYR 8 -7.495 -3.396 -0.586 67 HD1 TYR 8 1HD TYR 8 -8.865 -5.125 0.250 68 HD2 TYR 8 2HD TYR 8 -6.067 -5.992 -2.831 69 HE1 TYR 8 1HE TYR 8 -9.318 -7.519 0.518 70 HE2 TYR 8 2HE TYR 8 -6.512 -8.378 -2.581 71 HH TYR 8 HH TYR 8 -9.136 -9.596 -0.757 72 H ARG 9 HN ARG 9 -9.427 -3.878 -4.364 73 HA ARG 9 HA ARG 9 -11.654 -3.981 -4.600 74 HB2 ARG 9 2HB ARG 9 -11.692 -3.923 -1.581 75 HB3 ARG 9 1HB ARG 9 -13.086 -4.276 -2.587 76 HG2 ARG 9 2HG ARG 9 -11.934 -6.256 -3.468 77 HG3 ARG 9 1HG ARG 9 -10.550 -5.897 -2.435 78 HD2 ARG 9 2HD ARG 9 -13.354 -6.570 -1.535 79 HD3 ARG 9 1HD ARG 9 -11.934 -7.603 -1.415 80 HE ARG 9 HE ARG 9 -11.912 -5.018 -0.052 81 HH11 ARG 9 1HH1 ARG 9 -11.894 -8.553 0.232 82 HH12 ARG 9 2HH1 ARG 9 -11.643 -8.530 1.911 83 HH21 ARG 9 1HH2 ARG 9 -11.557 -5.020 2.222 84 HH22 ARG 9 2HH2 ARG 9 -11.454 -6.487 3.075 85 H GLY 10 HN GLY 10 -10.257 -1.376 -4.385 86 HA2 GLY 10 2HA GLY 10 -11.393 0.603 -5.161 87 HA3 GLY 10 1HA GLY 10 -12.683 0.244 -4.026 88 H ILE 11 HN ILE 11 -10.640 -0.429 -1.928 89 HA ILE 11 HA ILE 11 -10.342 2.326 -1.046 90 HB ILE 11 HB ILE 11 -9.981 -0.277 0.483 91 HG12 ILE 11 2HG1 ILE 11 -12.235 1.743 0.486 92 HG13 ILE 11 1HG1 ILE 11 -12.292 0.131 -0.205 93 HG21 ILE 11 1HG2 ILE 11 -8.609 1.514 1.434 94 HG22 ILE 11 2HG2 ILE 11 -9.958 1.132 2.505 95 HG23 ILE 11 3HG2 ILE 11 -10.016 2.577 1.495 96 HD11 ILE 11 1HD1 ILE 11 -12.025 -0.829 2.027 97 HD12 ILE 11 2HD1 ILE 11 -13.443 0.216 1.918 98 HD13 ILE 11 3HD1 ILE 11 -11.977 0.796 2.712 99 H CYS 12 HN CYS 12 -8.420 3.318 -0.925 100 HA CYS 12 HA CYS 12 -6.072 1.695 -1.542 101 HB2 CYS 12 2HB CYS 12 -6.456 4.648 -2.051 102 HB3 CYS 12 1HB CYS 12 -5.085 3.664 -2.523 103 H TYR 13 HN TYR 13 -4.401 1.772 -0.268 104 HA TYR 13 HA TYR 13 -4.304 3.687 1.913 105 HB2 TYR 13 2HB TYR 13 -3.655 1.716 3.427 106 HB3 TYR 13 1HB TYR 13 -5.357 1.905 3.040 107 HD1 TYR 13 1HD TYR 13 -6.515 0.276 1.690 108 HD2 TYR 13 2HD TYR 13 -2.350 -0.160 2.454 109 HE1 TYR 13 1HE TYR 13 -6.616 -2.023 0.887 110 HE2 TYR 13 2HE TYR 13 -2.447 -2.457 1.665 111 HH TYR 13 HH TYR 13 -4.094 -4.285 1.354 112 H ARG 14 HN ARG 14 -2.179 3.676 2.959 113 HA ARG 14 HA ARG 14 -0.111 3.305 0.932 114 HB2 ARG 14 2HB ARG 14 -0.595 5.492 2.161 115 HB3 ARG 14 1HB ARG 14 0.115 4.729 3.575 116 HG2 ARG 14 2HG ARG 14 1.766 6.101 2.534 117 HG3 ARG 14 1HG ARG 14 2.203 4.412 2.241 118 HD2 ARG 14 2HD ARG 14 1.311 4.512 0.006 119 HD3 ARG 14 1HD ARG 14 0.673 6.129 0.291 120 HE ARG 14 HE ARG 14 3.378 6.205 0.762 121 HH11 ARG 14 1HH1 ARG 14 1.160 5.804 -1.945 122 HH12 ARG 14 2HH1 ARG 14 2.250 6.307 -3.156 123 HH21 ARG 14 1HH2 ARG 14 4.935 6.953 -0.885 124 HH22 ARG 14 2HH2 ARG 14 4.498 6.927 -2.523 125 H ARG 15 HN ARG 15 1.353 1.733 1.172 126 HA ARG 15 HA ARG 15 1.874 0.651 3.834 127 HB2 ARG 15 2HB ARG 15 1.418 -0.912 1.289 128 HB3 ARG 15 1HB ARG 15 2.235 -1.628 2.694 129 HG2 ARG 15 2HG ARG 15 -0.559 -0.656 2.385 130 HG3 ARG 15 1HG ARG 15 -0.025 -2.324 2.578 131 HD2 ARG 15 2HD ARG 15 0.822 -1.736 4.845 132 HD3 ARG 15 1HD ARG 15 0.147 -0.119 4.629 133 HE ARG 15 HE ARG 15 -1.358 -2.606 4.760 134 HH11 ARG 15 1HH1 ARG 15 -1.260 0.943 5.097 135 HH12 ARG 15 2HH1 ARG 15 -2.803 1.069 5.783 136 HH21 ARG 15 1HH2 ARG 15 -3.532 -2.408 5.723 137 HH22 ARG 15 2HH2 ARG 15 -4.101 -0.872 6.160 138 H CYS 16 HN CYS 16 4.042 -0.398 3.904 139 HA CYS 16 HA CYS 16 5.786 0.831 1.930 140 HB2 CYS 16 2HB CYS 16 6.190 0.995 4.918 141 HB3 CYS 16 1HB CYS 16 7.349 1.524 3.709 142 H ARG 17 HN ARG 17 7.823 -0.058 1.775 143 HA ARG 17 HA ARG 17 8.307 -2.625 3.039 144 HB2 ARG 17 2HB ARG 17 7.455 -3.132 0.792 145 HB3 ARG 17 1HB ARG 17 8.575 -1.975 0.090 146 HG2 ARG 17 2HG ARG 17 10.451 -3.369 0.788 147 HG3 ARG 17 1HG ARG 17 9.327 -4.523 1.506 148 HD2 ARG 17 2HD ARG 17 8.347 -4.960 -0.674 149 HD3 ARG 17 1HD ARG 17 9.383 -3.739 -1.399 150 HE ARG 17 HE ARG 17 11.276 -5.108 -0.790 151 HH11 ARG 17 1HH1 ARG 17 8.142 -6.722 -0.932 152 HH12 ARG 17 2HH1 ARG 17 8.760 -8.252 -1.324 153 HH21 ARG 17 1HH2 ARG 17 12.152 -7.187 -1.363 154 HH22 ARG 17 2HH2 ARG 17 11.126 -8.529 -1.599 155 H GLY 18 HN GLY 18 9.729 -1.648 4.361 156 HA2 GLY 18 2HA GLY 18 11.840 -1.030 4.997 157 HA3 GLY 18 1HA GLY 18 12.337 -1.163 3.310 Start of MODEL 13 1 H1 LYS 1 HN LYS 1 12.637 0.854 2.166 2 HA LYS 1 HA LYS 1 11.440 3.123 3.578 3 HB2 LYS 1 2HB LYS 1 13.218 4.497 2.495 4 HB3 LYS 1 1HB LYS 1 13.836 3.246 3.560 5 HG2 LYS 1 2HG LYS 1 14.364 1.853 1.625 6 HG3 LYS 1 1HG LYS 1 13.731 3.102 0.552 7 HD2 LYS 1 2HD LYS 1 16.162 3.239 0.641 8 HD3 LYS 1 1HD LYS 1 15.449 4.661 1.405 9 HE2 LYS 1 2HE LYS 1 15.827 3.659 3.616 10 HE3 LYS 1 1HE LYS 1 16.533 2.237 2.848 11 HZ1 LYS 1 1HZ LYS 1 18.291 3.655 1.968 12 HZ2 LYS 1 2HZ LYS 1 18.225 3.769 3.636 13 HZ3 LYS 1 3HZ LYS 1 17.605 5.004 2.697 14 H TRP 2 HN TRP 2 10.668 1.241 1.195 15 HA TRP 2 HA TRP 2 9.858 3.338 -0.666 16 HB2 TRP 2 2HB TRP 2 11.078 1.487 -1.697 17 HB3 TRP 2 1HB TRP 2 9.961 0.329 -0.993 18 HD1 TRP 2 1HD TRP 2 9.486 3.452 -3.260 19 HE1 TRP 2 1HE TRP 2 7.891 2.809 -5.167 20 HE3 TRP 2 3HE TRP 2 8.686 -1.409 -1.988 21 HZ2 TRP 2 2HZ TRP 2 6.475 0.500 -6.026 22 HZ3 TRP 2 3HZ TRP 2 7.204 -2.778 -3.403 23 HH2 TRP 2 2HH TRP 2 6.129 -1.840 -5.374 24 H CYS 3 HN CYS 3 7.900 4.101 -0.390 25 HA CYS 3 HA CYS 3 5.905 2.364 0.840 26 HB2 CYS 3 2HB CYS 3 6.147 5.365 0.892 27 HB3 CYS 3 1HB CYS 3 4.783 4.461 1.559 28 H PHE 4 HN PHE 4 4.237 1.811 -0.275 29 HA PHE 4 HA PHE 4 3.778 3.175 -2.806 30 HB2 PHE 4 2HB PHE 4 3.228 0.880 -3.734 31 HB3 PHE 4 1HB PHE 4 4.925 1.192 -3.396 32 HD1 PHE 4 1HD PHE 4 5.961 0.197 -1.351 33 HD2 PHE 4 2HD PHE 4 2.077 -0.887 -2.675 34 HE1 PHE 4 1HE PHE 4 6.068 -1.827 0.025 35 HE2 PHE 4 2HE PHE 4 2.176 -2.919 -1.300 36 HZ PHE 4 HZ PHE 4 4.170 -3.397 0.056 37 H ARG 5 HN ARG 5 1.718 3.146 -3.593 38 HA ARG 5 HA ARG 5 -0.353 3.099 -1.567 39 HB2 ARG 5 2HB ARG 5 -0.067 5.032 -3.065 40 HB3 ARG 5 1HB ARG 5 -0.338 3.990 -4.450 41 HG2 ARG 5 2HG ARG 5 -2.623 3.567 -3.645 42 HG3 ARG 5 1HG ARG 5 -2.330 4.687 -2.308 43 HD2 ARG 5 2HD ARG 5 -1.865 6.471 -3.883 44 HD3 ARG 5 1HD ARG 5 -2.108 5.359 -5.229 45 HE ARG 5 HE ARG 5 -4.221 6.058 -3.324 46 HH11 ARG 5 1HH1 ARG 5 -3.086 5.628 -6.674 47 HH12 ARG 5 2HH1 ARG 5 -4.585 5.983 -7.375 48 HH21 ARG 5 1HH2 ARG 5 -6.309 6.568 -4.338 49 HH22 ARG 5 2HH2 ARG 5 -6.466 6.529 -6.028 50 H VAL 6 HN VAL 6 -1.816 1.515 -1.477 51 HA VAL 6 HA VAL 6 -1.763 -0.512 -3.603 52 HB VAL 6 HB VAL 6 -2.476 -0.930 -0.697 53 HG11 VAL 6 1HG1 VAL 6 -2.292 -3.309 -1.209 54 HG12 VAL 6 2HG1 VAL 6 -1.964 -2.919 -2.898 55 HG13 VAL 6 3HG1 VAL 6 -3.528 -2.515 -2.186 56 HG21 VAL 6 1HG2 VAL 6 -0.117 -0.373 -0.844 57 HG22 VAL 6 2HG2 VAL 6 0.111 -1.603 -2.087 58 HG23 VAL 6 3HG2 VAL 6 -0.324 -2.078 -0.445 59 H CYS 7 HN CYS 7 -3.681 -0.753 -4.578 60 HA CYS 7 HA CYS 7 -6.028 0.247 -3.157 61 HB2 CYS 7 2HB CYS 7 -5.564 -0.000 -6.134 62 HB3 CYS 7 1HB CYS 7 -7.113 0.422 -5.404 63 H TYR 8 HN TYR 8 -7.273 -1.173 -2.363 64 HA TYR 8 HA TYR 8 -7.456 -3.838 -3.552 65 HB2 TYR 8 2HB TYR 8 -5.981 -3.879 -1.581 66 HB3 TYR 8 1HB TYR 8 -7.219 -3.051 -0.659 67 HD1 TYR 8 1HD TYR 8 -6.725 -6.236 -2.564 68 HD2 TYR 8 2HD TYR 8 -8.650 -4.279 0.688 69 HE1 TYR 8 1HE TYR 8 -7.610 -8.385 -1.801 70 HE2 TYR 8 2HE TYR 8 -9.542 -6.417 1.463 71 HH TYR 8 HH TYR 8 -8.401 -9.380 0.344 72 H ARG 9 HN ARG 9 -9.434 -3.820 -4.315 73 HA ARG 9 HA ARG 9 -11.674 -3.774 -4.498 74 HB2 ARG 9 2HB ARG 9 -11.477 -4.024 -1.501 75 HB3 ARG 9 1HB ARG 9 -12.989 -4.174 -2.391 76 HG2 ARG 9 2HG ARG 9 -12.167 -6.078 -3.590 77 HG3 ARG 9 1HG ARG 9 -10.564 -5.878 -2.880 78 HD2 ARG 9 2HD ARG 9 -11.850 -7.670 -1.847 79 HD3 ARG 9 1HD ARG 9 -11.442 -6.402 -0.694 80 HE ARG 9 HE ARG 9 -13.872 -5.675 -1.498 81 HH11 ARG 9 1HH1 ARG 9 -12.701 -8.886 -0.543 82 HH12 ARG 9 2HH1 ARG 9 -14.136 -9.301 0.275 83 HH21 ARG 9 1HH2 ARG 9 -15.829 -6.274 -0.397 84 HH22 ARG 9 2HH2 ARG 9 -15.938 -7.796 0.368 85 H GLY 10 HN GLY 10 -10.285 -1.304 -4.328 86 HA2 GLY 10 2HA GLY 10 -11.273 0.798 -4.853 87 HA3 GLY 10 1HA GLY 10 -12.593 0.411 -3.753 88 H ILE 11 HN ILE 11 -10.381 -0.554 -1.844 89 HA ILE 11 HA ILE 11 -10.105 2.037 -0.563 90 HB ILE 11 HB ILE 11 -9.280 -0.710 0.441 91 HG12 ILE 11 2HG1 ILE 11 -11.810 0.844 1.063 92 HG13 ILE 11 1HG1 ILE 11 -11.723 -0.555 0.001 93 HG21 ILE 11 1HG2 ILE 11 -9.711 1.891 1.928 94 HG22 ILE 11 2HG2 ILE 11 -8.149 1.188 1.534 95 HG23 ILE 11 3HG2 ILE 11 -9.234 0.353 2.650 96 HD11 ILE 11 1HD1 ILE 11 -11.083 -0.538 2.941 97 HD12 ILE 11 2HD1 ILE 11 -11.031 -1.942 1.877 98 HD13 ILE 11 3HD1 ILE 11 -12.567 -1.144 2.211 99 H CYS 12 HN CYS 12 -8.313 3.179 -1.062 100 HA CYS 12 HA CYS 12 -5.920 1.638 -1.684 101 HB2 CYS 12 2HB CYS 12 -6.393 4.565 -2.267 102 HB3 CYS 12 1HB CYS 12 -5.048 3.590 -2.791 103 H TYR 13 HN TYR 13 -4.409 1.591 -0.294 104 HA TYR 13 HA TYR 13 -4.258 3.641 1.772 105 HB2 TYR 13 2HB TYR 13 -3.609 1.739 3.362 106 HB3 TYR 13 1HB TYR 13 -5.306 1.883 2.939 107 HD1 TYR 13 1HD TYR 13 -6.454 0.066 1.976 108 HD2 TYR 13 2HD TYR 13 -2.211 -0.049 2.177 109 HE1 TYR 13 1HE TYR 13 -6.490 -2.291 1.289 110 HE2 TYR 13 2HE TYR 13 -2.241 -2.401 1.496 111 HH TYR 13 HH TYR 13 -3.709 -4.271 1.477 112 H ARG 14 HN ARG 14 -2.116 3.648 2.860 113 HA ARG 14 HA ARG 14 -0.052 3.233 0.827 114 HB2 ARG 14 2HB ARG 14 -0.337 5.518 1.744 115 HB3 ARG 14 1HB ARG 14 -0.019 4.899 3.352 116 HG2 ARG 14 2HG ARG 14 1.943 6.013 2.522 117 HG3 ARG 14 1HG ARG 14 2.262 4.290 2.650 118 HD2 ARG 14 2HD ARG 14 3.174 5.264 0.572 119 HD3 ARG 14 1HD ARG 14 1.975 4.018 0.254 120 HE ARG 14 HE ARG 14 0.576 6.355 0.234 121 HH11 ARG 14 1HH1 ARG 14 3.497 5.344 -1.561 122 HH12 ARG 14 2HH1 ARG 14 3.013 6.139 -2.980 123 HH21 ARG 14 1HH2 ARG 14 0.014 7.447 -1.690 124 HH22 ARG 14 2HH2 ARG 14 1.019 7.358 -3.065 125 H ARG 15 HN ARG 15 1.323 1.608 1.059 126 HA ARG 15 HA ARG 15 1.798 0.540 3.745 127 HB2 ARG 15 2HB ARG 15 1.530 -0.853 1.097 128 HB3 ARG 15 1HB ARG 15 2.349 -1.635 2.454 129 HG2 ARG 15 2HG ARG 15 -0.471 -0.644 2.381 130 HG3 ARG 15 1HG ARG 15 0.012 -2.326 2.140 131 HD2 ARG 15 2HD ARG 15 0.425 -0.689 4.659 132 HD3 ARG 15 1HD ARG 15 -0.792 -1.937 4.424 133 HE ARG 15 HE ARG 15 1.822 -2.917 3.912 134 HH11 ARG 15 1HH1 ARG 15 -0.356 -2.131 6.613 135 HH12 ARG 15 2HH1 ARG 15 0.333 -3.271 7.653 136 HH21 ARG 15 1HH2 ARG 15 2.720 -4.477 5.335 137 HH22 ARG 15 2HH2 ARG 15 2.118 -4.660 6.919 138 H CYS 16 HN CYS 16 3.958 -0.166 4.133 139 HA CYS 16 HA CYS 16 5.873 0.957 2.230 140 HB2 CYS 16 2HB CYS 16 5.990 1.216 5.236 141 HB3 CYS 16 1HB CYS 16 7.264 1.702 4.128 142 H ARG 17 HN ARG 17 7.467 -0.256 1.695 143 HA ARG 17 HA ARG 17 8.118 -2.598 3.324 144 HB2 ARG 17 2HB ARG 17 7.026 -3.235 1.192 145 HB3 ARG 17 1HB ARG 17 8.243 -2.317 0.309 146 HG2 ARG 17 2HG ARG 17 9.966 -3.823 1.201 147 HG3 ARG 17 1HG ARG 17 8.697 -4.753 2.003 148 HD2 ARG 17 2HD ARG 17 7.653 -5.142 -0.191 149 HD3 ARG 17 1HD ARG 17 9.007 -4.312 -0.953 150 HE ARG 17 HE ARG 17 10.122 -6.234 0.623 151 HH11 ARG 17 1HH1 ARG 17 7.953 -6.182 -2.159 152 HH12 ARG 17 2HH1 ARG 17 8.361 -7.742 -2.692 153 HH21 ARG 17 1HH2 ARG 17 10.674 -8.386 -0.093 154 HH22 ARG 17 2HH2 ARG 17 9.910 -9.042 -1.460 155 H GLY 18 HN GLY 18 9.843 -1.821 4.342 156 HA2 GLY 18 2HA GLY 18 12.006 -1.123 4.631 157 HA3 GLY 18 1HA GLY 18 12.197 -1.098 2.875 Start of MODEL 14 1 H1 LYS 1 HN LYS 1 12.579 0.676 2.269 2 HA LYS 1 HA LYS 1 11.578 3.251 3.249 3 HB2 LYS 1 2HB LYS 1 13.536 4.238 2.129 4 HB3 LYS 1 1HB LYS 1 14.000 3.055 3.338 5 HG2 LYS 1 2HG LYS 1 14.448 1.423 1.607 6 HG3 LYS 1 1HG LYS 1 13.902 2.560 0.371 7 HD2 LYS 1 2HD LYS 1 15.681 4.115 1.071 8 HD3 LYS 1 1HD LYS 1 16.240 2.914 2.229 9 HE2 LYS 1 2HE LYS 1 16.767 1.375 0.475 10 HE3 LYS 1 1HE LYS 1 16.060 2.438 -0.738 11 HZ1 LYS 1 1HZ LYS 1 17.764 4.072 -0.217 12 HZ2 LYS 1 2HZ LYS 1 18.464 2.611 -0.684 13 HZ3 LYS 1 3HZ LYS 1 18.416 3.041 0.943 14 H TRP 2 HN TRP 2 10.485 1.166 1.339 15 HA TRP 2 HA TRP 2 10.002 2.970 -0.899 16 HB2 TRP 2 2HB TRP 2 11.146 0.888 -1.556 17 HB3 TRP 2 1HB TRP 2 9.865 -0.052 -0.807 18 HD1 TRP 2 1HD TRP 2 9.760 2.836 -3.417 19 HE1 TRP 2 1HE TRP 2 8.309 2.048 -5.411 20 HE3 TRP 2 3HE TRP 2 8.687 -1.901 -1.822 21 HZ2 TRP 2 2HZ TRP 2 6.917 -0.281 -6.195 22 HZ3 TRP 2 3HZ TRP 2 7.311 -3.343 -3.255 23 HH2 TRP 2 2HH TRP 2 6.446 -2.545 -5.396 24 H CYS 3 HN CYS 3 8.176 3.901 -0.668 25 HA CYS 3 HA CYS 3 5.952 2.503 0.616 26 HB2 CYS 3 2HB CYS 3 6.510 5.447 0.296 27 HB3 CYS 3 1HB CYS 3 4.985 4.804 0.879 28 H PHE 4 HN PHE 4 4.148 2.212 -0.424 29 HA PHE 4 HA PHE 4 3.793 3.354 -3.051 30 HB2 PHE 4 2HB PHE 4 3.245 1.020 -3.917 31 HB3 PHE 4 1HB PHE 4 4.944 1.365 -3.639 32 HD1 PHE 4 1HD PHE 4 6.079 0.397 -1.621 33 HD2 PHE 4 2HD PHE 4 2.143 -0.721 -2.753 34 HE1 PHE 4 1HE PHE 4 6.258 -1.605 -0.216 35 HE2 PHE 4 2HE PHE 4 2.311 -2.718 -1.345 36 HZ PHE 4 HZ PHE 4 4.370 -3.171 -0.071 37 H ARG 5 HN ARG 5 1.623 2.951 -3.881 38 HA ARG 5 HA ARG 5 -0.311 2.901 -1.674 39 HB2 ARG 5 2HB ARG 5 -0.122 5.007 -2.978 40 HB3 ARG 5 1HB ARG 5 -0.528 4.111 -4.432 41 HG2 ARG 5 2HG ARG 5 -2.730 3.587 -3.461 42 HG3 ARG 5 1HG ARG 5 -2.311 4.564 -2.049 43 HD2 ARG 5 2HD ARG 5 -1.982 6.503 -3.512 44 HD3 ARG 5 1HD ARG 5 -2.466 5.543 -4.903 45 HE ARG 5 HE ARG 5 -4.206 6.180 -2.621 46 HH11 ARG 5 1HH1 ARG 5 -3.822 5.543 -6.104 47 HH12 ARG 5 2HH1 ARG 5 -5.391 6.051 -6.497 48 HH21 ARG 5 1HH2 ARG 5 -6.397 6.830 -3.198 49 HH22 ARG 5 2HH2 ARG 5 -6.886 6.799 -4.817 50 H VAL 6 HN VAL 6 -1.822 1.321 -1.687 51 HA VAL 6 HA VAL 6 -2.088 -0.304 -4.116 52 HB VAL 6 HB VAL 6 -2.158 -1.333 -1.258 53 HG11 VAL 6 1HG1 VAL 6 -2.225 -3.573 -2.277 54 HG12 VAL 6 2HG1 VAL 6 -2.289 -2.833 -3.878 55 HG13 VAL 6 3HG1 VAL 6 -3.617 -2.595 -2.747 56 HG21 VAL 6 1HG2 VAL 6 -0.086 -2.532 -1.786 57 HG22 VAL 6 2HG2 VAL 6 0.119 -0.783 -1.869 58 HG23 VAL 6 3HG2 VAL 6 -0.027 -1.725 -3.354 59 H CYS 7 HN CYS 7 -4.169 -0.548 -4.724 60 HA CYS 7 HA CYS 7 -6.182 0.257 -2.784 61 HB2 CYS 7 2HB CYS 7 -6.305 0.361 -5.807 62 HB3 CYS 7 1HB CYS 7 -7.593 0.824 -4.699 63 H TYR 8 HN TYR 8 -7.292 -1.312 -2.019 64 HA TYR 8 HA TYR 8 -7.456 -3.764 -3.553 65 HB2 TYR 8 2HB TYR 8 -6.158 -3.959 -1.449 66 HB3 TYR 8 1HB TYR 8 -7.563 -3.378 -0.567 67 HD1 TYR 8 1HD TYR 8 -8.802 -4.972 0.517 68 HD2 TYR 8 2HD TYR 8 -6.796 -6.067 -3.064 69 HE1 TYR 8 1HE TYR 8 -9.641 -7.256 0.750 70 HE2 TYR 8 2HE TYR 8 -7.628 -8.356 -2.845 71 HH TYR 8 HH TYR 8 -8.432 -9.847 -0.999 72 H ARG 9 HN ARG 9 -9.264 -3.598 -4.539 73 HA ARG 9 HA ARG 9 -11.422 -3.613 -5.005 74 HB2 ARG 9 2HB ARG 9 -11.894 -3.717 -2.023 75 HB3 ARG 9 1HB ARG 9 -13.112 -3.979 -3.260 76 HG2 ARG 9 2HG ARG 9 -11.946 -5.960 -4.020 77 HG3 ARG 9 1HG ARG 9 -10.686 -5.692 -2.806 78 HD2 ARG 9 2HD ARG 9 -12.373 -5.839 -1.044 79 HD3 ARG 9 1HD ARG 9 -13.606 -6.144 -2.264 80 HE ARG 9 HE ARG 9 -11.487 -7.993 -2.460 81 HH11 ARG 9 1HH1 ARG 9 -14.359 -7.219 -0.558 82 HH12 ARG 9 2HH1 ARG 9 -14.606 -8.817 -0.018 83 HH21 ARG 9 1HH2 ARG 9 -11.822 -10.186 -1.728 84 HH22 ARG 9 2HH2 ARG 9 -13.141 -10.544 -0.723 85 H GLY 10 HN GLY 10 -9.924 -1.152 -4.311 86 HA2 GLY 10 2HA GLY 10 -10.766 1.021 -4.966 87 HA3 GLY 10 1HA GLY 10 -12.248 0.654 -4.096 88 H ILE 11 HN ILE 11 -10.470 -0.535 -1.928 89 HA ILE 11 HA ILE 11 -10.194 1.912 -0.408 90 HB ILE 11 HB ILE 11 -9.640 -0.980 0.348 91 HG12 ILE 11 2HG1 ILE 11 -12.006 0.784 1.029 92 HG13 ILE 11 1HG1 ILE 11 -12.013 -0.500 -0.174 93 HG21 ILE 11 1HG2 ILE 11 -9.642 -0.182 2.682 94 HG22 ILE 11 2HG2 ILE 11 -9.791 1.478 2.106 95 HG23 ILE 11 3HG2 ILE 11 -8.341 0.546 1.735 96 HD11 ILE 11 1HD1 ILE 11 -11.543 -0.860 2.777 97 HD12 ILE 11 2HD1 ILE 11 -11.597 -2.140 1.567 98 HD13 ILE 11 3HD1 ILE 11 -13.048 -1.197 1.918 99 H CYS 12 HN CYS 12 -8.340 3.019 -0.476 100 HA CYS 12 HA CYS 12 -5.952 1.548 -1.340 101 HB2 CYS 12 2HB CYS 12 -6.348 4.526 -1.483 102 HB3 CYS 12 1HB CYS 12 -5.082 3.572 -2.219 103 H TYR 13 HN TYR 13 -4.438 1.240 -0.012 104 HA TYR 13 HA TYR 13 -4.234 2.980 2.309 105 HB2 TYR 13 2HB TYR 13 -3.240 0.860 3.439 106 HB3 TYR 13 1HB TYR 13 -4.986 1.015 3.290 107 HD1 TYR 13 1HD TYR 13 -6.231 -0.656 2.238 108 HD2 TYR 13 2HD TYR 13 -2.022 -0.565 1.681 109 HE1 TYR 13 1HE TYR 13 -6.338 -2.834 1.126 110 HE2 TYR 13 2HE TYR 13 -2.119 -2.746 0.566 111 HH TYR 13 HH TYR 13 -3.631 -4.712 0.554 112 H ARG 14 HN ARG 14 -2.158 3.201 3.218 113 HA ARG 14 HA ARG 14 -0.144 3.425 1.127 114 HB2 ARG 14 2HB ARG 14 -0.796 5.387 2.517 115 HB3 ARG 14 1HB ARG 14 -0.195 4.542 3.930 116 HG2 ARG 14 2HG ARG 14 1.419 6.164 3.155 117 HG3 ARG 14 1HG ARG 14 2.051 4.528 2.963 118 HD2 ARG 14 2HD ARG 14 1.537 4.561 0.601 119 HD3 ARG 14 1HD ARG 14 0.756 6.137 0.759 120 HE ARG 14 HE ARG 14 3.360 6.265 1.721 121 HH11 ARG 14 1HH1 ARG 14 1.663 5.939 -1.371 122 HH12 ARG 14 2HH1 ARG 14 2.824 6.778 -2.280 123 HH21 ARG 14 1HH2 ARG 14 4.995 7.465 0.436 124 HH22 ARG 14 2HH2 ARG 14 4.735 7.658 -1.236 125 H ARG 15 HN ARG 15 1.175 1.747 0.957 126 HA ARG 15 HA ARG 15 1.888 0.293 3.383 127 HB2 ARG 15 2HB ARG 15 1.784 -0.503 0.501 128 HB3 ARG 15 1HB ARG 15 2.667 -1.455 1.713 129 HG2 ARG 15 2HG ARG 15 -0.210 -0.708 1.843 130 HG3 ARG 15 1HG ARG 15 0.348 -2.231 1.130 131 HD2 ARG 15 2HD ARG 15 0.748 -1.310 3.988 132 HD3 ARG 15 1HD ARG 15 -0.382 -2.543 3.440 133 HE ARG 15 HE ARG 15 1.998 -3.405 2.508 134 HH11 ARG 15 1HH1 ARG 15 0.857 -2.534 5.756 135 HH12 ARG 15 2HH1 ARG 15 1.909 -3.621 6.530 136 HH21 ARG 15 1HH2 ARG 15 3.444 -4.856 3.616 137 HH22 ARG 15 2HH2 ARG 15 3.407 -4.940 5.316 138 H CYS 16 HN CYS 16 3.953 0.101 3.938 139 HA CYS 16 HA CYS 16 5.982 1.197 2.155 140 HB2 CYS 16 2HB CYS 16 5.565 1.871 5.049 141 HB3 CYS 16 1HB CYS 16 7.049 2.258 4.176 142 H ARG 17 HN ARG 17 7.232 -0.451 1.757 143 HA ARG 17 HA ARG 17 7.867 -2.253 3.993 144 HB2 ARG 17 2HB ARG 17 6.744 -3.199 1.804 145 HB3 ARG 17 1HB ARG 17 8.321 -2.947 1.079 146 HG2 ARG 17 2HG ARG 17 7.802 -4.710 3.486 147 HG3 ARG 17 1HG ARG 17 7.917 -5.293 1.832 148 HD2 ARG 17 2HD ARG 17 10.247 -4.558 1.753 149 HD3 ARG 17 1HD ARG 17 10.107 -3.905 3.386 150 HE ARG 17 HE ARG 17 9.399 -6.481 3.709 151 HH11 ARG 17 1HH1 ARG 17 12.262 -4.996 2.254 152 HH12 ARG 17 2HH1 ARG 17 13.288 -6.319 2.577 153 HH21 ARG 17 1HH2 ARG 17 10.822 -8.292 4.173 154 HH22 ARG 17 2HH2 ARG 17 12.454 -8.223 3.671 155 H GLY 18 HN GLY 18 9.576 -1.351 4.825 156 HA2 GLY 18 2HA GLY 18 11.799 -0.825 4.959 157 HA3 GLY 18 1HA GLY 18 11.928 -1.097 3.218 Start of MODEL 15 1 H1 LYS 1 HN LYS 1 12.413 1.080 2.403 2 HA LYS 1 HA LYS 1 11.347 3.409 3.836 3 HB2 LYS 1 2HB LYS 1 12.993 4.793 2.626 4 HB3 LYS 1 1HB LYS 1 13.751 3.541 3.597 5 HG2 LYS 1 2HG LYS 1 14.167 2.217 1.622 6 HG3 LYS 1 1HG LYS 1 13.319 3.401 0.624 7 HD2 LYS 1 2HD LYS 1 14.986 5.079 1.156 8 HD3 LYS 1 1HD LYS 1 15.800 3.962 2.250 9 HE2 LYS 1 2HE LYS 1 16.961 4.094 0.104 10 HE3 LYS 1 1HE LYS 1 16.308 2.485 0.379 11 HZ1 LYS 1 1HZ LYS 1 14.458 3.027 -1.090 12 HZ2 LYS 1 2HZ LYS 1 15.928 3.178 -1.868 13 HZ3 LYS 1 3HZ LYS 1 15.101 4.565 -1.379 14 H TRP 2 HN TRP 2 10.756 1.442 1.241 15 HA TRP 2 HA TRP 2 9.735 3.588 -0.440 16 HB2 TRP 2 2HB TRP 2 11.045 1.958 -1.649 17 HB3 TRP 2 1HB TRP 2 10.087 0.636 -0.992 18 HD1 TRP 2 1HD TRP 2 8.956 3.878 -2.848 19 HE1 TRP 2 1HE TRP 2 7.411 3.181 -4.782 20 HE3 TRP 2 3HE TRP 2 9.243 -1.195 -2.315 21 HZ2 TRP 2 2HZ TRP 2 6.467 0.777 -5.951 22 HZ3 TRP 2 3HZ TRP 2 7.990 -2.625 -3.892 23 HH2 TRP 2 2HH TRP 2 6.638 -1.650 -5.664 24 H CYS 3 HN CYS 3 7.704 4.141 -0.476 25 HA CYS 3 HA CYS 3 5.751 2.311 0.715 26 HB2 CYS 3 2HB CYS 3 5.756 5.330 0.734 27 HB3 CYS 3 1HB CYS 3 4.535 4.288 1.452 28 H PHE 4 HN PHE 4 4.338 1.595 -0.688 29 HA PHE 4 HA PHE 4 3.745 3.235 -3.037 30 HB2 PHE 4 2HB PHE 4 3.389 1.134 -4.317 31 HB3 PHE 4 1HB PHE 4 5.042 1.320 -3.751 32 HD1 PHE 4 1HD PHE 4 5.731 0.024 -1.667 33 HD2 PHE 4 2HD PHE 4 2.165 -0.782 -3.834 34 HE1 PHE 4 1HE PHE 4 5.615 -2.212 -0.647 35 HE2 PHE 4 2HE PHE 4 2.053 -3.011 -2.816 36 HZ PHE 4 HZ PHE 4 3.767 -3.724 -1.225 37 H ARG 5 HN ARG 5 1.639 2.844 -3.997 38 HA ARG 5 HA ARG 5 -0.372 2.740 -1.881 39 HB2 ARG 5 2HB ARG 5 -0.135 4.780 -3.197 40 HB3 ARG 5 1HB ARG 5 -0.389 3.868 -4.670 41 HG2 ARG 5 2HG ARG 5 -2.682 3.387 -3.964 42 HG3 ARG 5 1HG ARG 5 -2.412 4.320 -2.486 43 HD2 ARG 5 2HD ARG 5 -1.951 6.298 -3.761 44 HD3 ARG 5 1HD ARG 5 -2.065 5.406 -5.268 45 HE ARG 5 HE ARG 5 -4.312 5.878 -3.446 46 HH11 ARG 5 1HH1 ARG 5 -3.042 5.439 -6.746 47 HH12 ARG 5 2HH1 ARG 5 -4.449 5.964 -7.523 48 HH21 ARG 5 1HH2 ARG 5 -6.302 6.595 -4.551 49 HH22 ARG 5 2HH2 ARG 5 -6.336 6.622 -6.245 50 H VAL 6 HN VAL 6 -1.878 1.177 -1.844 51 HA VAL 6 HA VAL 6 -2.176 -0.530 -4.216 52 HB VAL 6 HB VAL 6 -2.369 -1.491 -1.349 53 HG11 VAL 6 1HG1 VAL 6 -2.386 -3.739 -2.332 54 HG12 VAL 6 2HG1 VAL 6 -2.355 -3.025 -3.944 55 HG13 VAL 6 3HG1 VAL 6 -3.744 -2.760 -2.891 56 HG21 VAL 6 1HG2 VAL 6 -0.269 -2.694 -1.712 57 HG22 VAL 6 2HG2 VAL 6 -0.048 -0.947 -1.837 58 HG23 VAL 6 3HG2 VAL 6 -0.111 -1.936 -3.295 59 H CYS 7 HN CYS 7 -4.203 -0.567 -4.871 60 HA CYS 7 HA CYS 7 -6.274 0.253 -2.985 61 HB2 CYS 7 2HB CYS 7 -6.229 0.419 -6.005 62 HB3 CYS 7 1HB CYS 7 -7.602 0.855 -4.993 63 H TYR 8 HN TYR 8 -7.503 -1.252 -2.287 64 HA TYR 8 HA TYR 8 -7.917 -3.669 -3.887 65 HB2 TYR 8 2HB TYR 8 -6.409 -3.997 -1.917 66 HB3 TYR 8 1HB TYR 8 -7.694 -3.403 -0.889 67 HD1 TYR 8 1HD TYR 8 -9.229 -4.893 0.058 68 HD2 TYR 8 2HD TYR 8 -6.984 -6.114 -3.343 69 HE1 TYR 8 1HE TYR 8 -10.116 -7.171 0.295 70 HE2 TYR 8 2HE TYR 8 -7.864 -8.381 -3.122 71 HH TYR 8 HH TYR 8 -8.775 -9.796 -1.307 72 H ARG 9 HN ARG 9 -9.900 -3.375 -4.614 73 HA ARG 9 HA ARG 9 -12.124 -3.090 -4.747 74 HB2 ARG 9 2HB ARG 9 -12.010 -3.556 -1.761 75 HB3 ARG 9 1HB ARG 9 -13.505 -3.476 -2.680 76 HG2 ARG 9 2HG ARG 9 -12.840 -5.423 -3.970 77 HG3 ARG 9 1HG ARG 9 -11.298 -5.470 -3.108 78 HD2 ARG 9 2HD ARG 9 -12.441 -5.854 -1.030 79 HD3 ARG 9 1HD ARG 9 -14.011 -5.750 -1.832 80 HE ARG 9 HE ARG 9 -12.913 -7.695 -3.198 81 HH11 ARG 9 1HH1 ARG 9 -12.877 -7.187 0.291 82 HH12 ARG 9 2HH1 ARG 9 -12.806 -8.849 0.671 83 HH21 ARG 9 1HH2 ARG 9 -12.841 -9.951 -2.675 84 HH22 ARG 9 2HH2 ARG 9 -12.816 -10.467 -1.058 85 H GLY 10 HN GLY 10 -10.339 -0.858 -4.274 86 HA2 GLY 10 2HA GLY 10 -10.926 1.419 -4.531 87 HA3 GLY 10 1HA GLY 10 -12.375 1.137 -3.577 88 H ILE 11 HN ILE 11 -10.466 -0.465 -1.741 89 HA ILE 11 HA ILE 11 -9.931 1.714 0.063 90 HB ILE 11 HB ILE 11 -9.177 -1.219 0.252 91 HG12 ILE 11 2HG1 ILE 11 -11.526 0.203 1.499 92 HG13 ILE 11 1HG1 ILE 11 -11.631 -0.819 0.069 93 HG21 ILE 11 1HG2 ILE 11 -7.828 0.178 1.723 94 HG22 ILE 11 2HG2 ILE 11 -8.955 -0.792 2.671 95 HG23 ILE 11 3HG2 ILE 11 -9.282 0.915 2.392 96 HD11 ILE 11 1HD1 ILE 11 -10.737 -1.698 2.795 97 HD12 ILE 11 2HD1 ILE 11 -10.914 -2.731 1.373 98 HD13 ILE 11 3HD1 ILE 11 -12.335 -1.976 2.103 99 H CYS 12 HN CYS 12 -8.183 2.910 -0.404 100 HA CYS 12 HA CYS 12 -5.873 1.496 -1.501 101 HB2 CYS 12 2HB CYS 12 -6.347 4.462 -1.541 102 HB3 CYS 12 1HB CYS 12 -5.066 3.588 -2.344 103 H TYR 13 HN TYR 13 -4.322 1.137 -0.265 104 HA TYR 13 HA TYR 13 -3.870 2.899 2.008 105 HB2 TYR 13 2HB TYR 13 -2.931 0.871 3.198 106 HB3 TYR 13 1HB TYR 13 -4.672 0.897 2.980 107 HD1 TYR 13 1HD TYR 13 -5.767 -0.878 1.875 108 HD2 TYR 13 2HD TYR 13 -1.511 -0.620 1.652 109 HE1 TYR 13 1HE TYR 13 -5.673 -3.132 0.905 110 HE2 TYR 13 2HE TYR 13 -1.437 -2.853 0.694 111 HH TYR 13 HH TYR 13 -2.713 -4.824 0.624 112 H ARG 14 HN ARG 14 -1.662 2.912 2.768 113 HA ARG 14 HA ARG 14 0.175 2.819 0.502 114 HB2 ARG 14 2HB ARG 14 -0.239 5.047 1.487 115 HB3 ARG 14 1HB ARG 14 0.249 4.442 3.058 116 HG2 ARG 14 2HG ARG 14 2.049 5.719 2.133 117 HG3 ARG 14 1HG ARG 14 2.509 4.017 2.139 118 HD2 ARG 14 2HD ARG 14 3.180 5.058 0.044 119 HD3 ARG 14 1HD ARG 14 1.922 3.865 -0.253 120 HE ARG 14 HE ARG 14 0.590 6.205 0.049 121 HH11 ARG 14 1HH1 ARG 14 3.263 5.227 -2.122 122 HH12 ARG 14 2HH1 ARG 14 2.743 6.211 -3.388 123 HH21 ARG 14 1HH2 ARG 14 -0.065 7.575 -1.700 124 HH22 ARG 14 2HH2 ARG 14 0.852 7.614 -3.141 125 H ARG 15 HN ARG 15 1.484 1.120 0.595 126 HA ARG 15 HA ARG 15 2.089 -0.040 3.209 127 HB2 ARG 15 2HB ARG 15 2.296 -1.104 0.448 128 HB3 ARG 15 1HB ARG 15 3.085 -1.925 1.810 129 HG2 ARG 15 2HG ARG 15 0.178 -1.522 1.185 130 HG3 ARG 15 1HG ARG 15 1.057 -3.039 1.314 131 HD2 ARG 15 2HD ARG 15 0.323 -1.155 3.554 132 HD3 ARG 15 1HD ARG 15 -0.268 -2.788 3.278 133 HE ARG 15 HE ARG 15 2.328 -3.237 3.535 134 HH11 ARG 15 1HH1 ARG 15 0.026 -1.476 5.554 135 HH12 ARG 15 2HH1 ARG 15 0.992 -1.513 6.951 136 HH21 ARG 15 1HH2 ARG 15 3.629 -3.375 5.472 137 HH22 ARG 15 2HH2 ARG 15 3.091 -2.653 6.912 138 H CYS 16 HN CYS 16 3.904 0.316 4.056 139 HA CYS 16 HA CYS 16 6.112 1.308 2.422 140 HB2 CYS 16 2HB CYS 16 5.536 1.529 5.360 141 HB3 CYS 16 1HB CYS 16 7.048 2.066 4.628 142 H ARG 17 HN ARG 17 7.498 -0.206 1.838 143 HA ARG 17 HA ARG 17 8.181 -2.196 3.815 144 HB2 ARG 17 2HB ARG 17 8.954 -3.586 1.923 145 HB3 ARG 17 1HB ARG 17 7.213 -3.343 1.927 146 HG2 ARG 17 2HG ARG 17 7.532 -1.653 0.135 147 HG3 ARG 17 1HG ARG 17 9.256 -2.020 0.142 148 HD2 ARG 17 2HD ARG 17 7.029 -3.970 -0.467 149 HD3 ARG 17 1HD ARG 17 8.122 -3.224 -1.634 150 HE ARG 17 HE ARG 17 9.783 -4.458 0.117 151 HH11 ARG 17 1HH1 ARG 17 7.089 -5.619 -1.897 152 HH12 ARG 17 2HH1 ARG 17 7.685 -7.198 -2.016 153 HH21 ARG 17 1HH2 ARG 17 10.565 -6.649 -0.042 154 HH22 ARG 17 2HH2 ARG 17 9.699 -7.815 -0.928 155 H GLY 18 HN GLY 18 9.856 -1.464 4.807 156 HA2 GLY 18 2HA GLY 18 12.038 -0.807 5.129 157 HA3 GLY 18 1HA GLY 18 12.269 -0.816 3.379 Start of MODEL 16 1 H1 LYS 1 HN LYS 1 12.890 0.995 2.359 2 HA LYS 1 HA LYS 1 11.929 3.681 3.051 3 HB2 LYS 1 2HB LYS 1 14.252 2.859 1.300 4 HB3 LYS 1 1HB LYS 1 13.768 4.517 1.644 5 HG2 LYS 1 2HG LYS 1 14.119 4.039 4.033 6 HG3 LYS 1 1HG LYS 1 14.810 2.489 3.583 7 HD2 LYS 1 2HD LYS 1 16.532 3.579 2.234 8 HD3 LYS 1 1HD LYS 1 15.861 5.160 2.626 9 HE2 LYS 1 2HE LYS 1 17.066 3.208 4.591 10 HE3 LYS 1 1HE LYS 1 17.845 4.654 3.969 11 HZ1 LYS 1 1HZ LYS 1 16.093 5.987 5.008 12 HZ2 LYS 1 2HZ LYS 1 16.921 5.054 6.139 13 HZ3 LYS 1 3HZ LYS 1 15.391 4.592 5.652 14 H TRP 2 HN TRP 2 10.894 1.347 1.470 15 HA TRP 2 HA TRP 2 10.086 2.844 -0.925 16 HB2 TRP 2 2HB TRP 2 11.312 0.884 -1.571 17 HB3 TRP 2 1HB TRP 2 10.374 -0.127 -0.485 18 HD1 TRP 2 1HD TRP 2 9.403 2.229 -3.418 19 HE1 TRP 2 1HE TRP 2 7.702 0.955 -4.907 20 HE3 TRP 2 3HE TRP 2 9.232 -2.173 -0.884 21 HZ2 TRP 2 2HZ TRP 2 6.485 -1.569 -4.994 22 HZ3 TRP 2 3HZ TRP 2 7.781 -3.983 -1.733 23 HH2 TRP 2 2HH TRP 2 6.445 -3.679 -3.749 24 H CYS 3 HN CYS 3 8.179 3.726 -0.528 25 HA CYS 3 HA CYS 3 6.134 2.056 0.721 26 HB2 CYS 3 2HB CYS 3 6.240 5.076 0.462 27 HB3 CYS 3 1HB CYS 3 4.903 4.168 1.153 28 H PHE 4 HN PHE 4 4.130 1.877 -0.254 29 HA PHE 4 HA PHE 4 3.924 2.818 -2.982 30 HB2 PHE 4 2HB PHE 4 3.276 0.473 -3.707 31 HB3 PHE 4 1HB PHE 4 4.977 0.722 -3.351 32 HD1 PHE 4 1HD PHE 4 2.015 -1.156 -2.560 33 HD2 PHE 4 2HD PHE 4 5.900 -0.150 -1.159 34 HE1 PHE 4 1HE PHE 4 1.973 -3.094 -1.024 35 HE2 PHE 4 2HE PHE 4 5.859 -2.073 0.368 36 HZ PHE 4 HZ PHE 4 3.896 -3.548 0.434 37 H ARG 5 HN ARG 5 1.802 2.598 -3.891 38 HA ARG 5 HA ARG 5 -0.302 2.882 -1.876 39 HB2 ARG 5 2HB ARG 5 0.033 4.785 -3.384 40 HB3 ARG 5 1HB ARG 5 -0.118 3.727 -4.777 41 HG2 ARG 5 2HG ARG 5 -2.459 3.256 -4.104 42 HG3 ARG 5 1HG ARG 5 -2.280 4.444 -2.811 43 HD2 ARG 5 2HD ARG 5 -1.806 6.176 -4.448 44 HD3 ARG 5 1HD ARG 5 -1.929 5.000 -5.758 45 HE ARG 5 HE ARG 5 -4.197 5.515 -3.982 46 HH11 ARG 5 1HH1 ARG 5 -2.856 5.557 -7.276 47 HH12 ARG 5 2HH1 ARG 5 -4.350 5.902 -8.016 48 HH21 ARG 5 1HH2 ARG 5 -6.221 5.972 -5.029 49 HH22 ARG 5 2HH2 ARG 5 -6.305 6.135 -6.727 50 H VAL 6 HN VAL 6 -1.898 1.349 -1.799 51 HA VAL 6 HA VAL 6 -2.148 -0.430 -4.118 52 HB VAL 6 HB VAL 6 -2.315 -1.304 -1.219 53 HG11 VAL 6 1HG1 VAL 6 -2.530 -3.590 -2.133 54 HG12 VAL 6 2HG1 VAL 6 -2.535 -2.927 -3.767 55 HG13 VAL 6 3HG1 VAL 6 -3.856 -2.551 -2.662 56 HG21 VAL 6 1HG2 VAL 6 -0.329 -2.667 -1.691 57 HG22 VAL 6 2HG2 VAL 6 -0.016 -0.939 -1.859 58 HG23 VAL 6 3HG2 VAL 6 -0.228 -1.940 -3.297 59 H CYS 7 HN CYS 7 -4.127 -0.372 -4.877 60 HA CYS 7 HA CYS 7 -6.298 0.384 -3.072 61 HB2 CYS 7 2HB CYS 7 -6.108 0.579 -6.089 62 HB3 CYS 7 1HB CYS 7 -7.543 0.944 -5.134 63 H TYR 8 HN TYR 8 -7.471 -1.168 -2.421 64 HA TYR 8 HA TYR 8 -7.674 -3.590 -4.057 65 HB2 TYR 8 2HB TYR 8 -6.287 -3.648 -1.890 66 HB3 TYR 8 1HB TYR 8 -7.812 -3.439 -1.050 67 HD1 TYR 8 1HD TYR 8 -5.505 -5.752 -2.349 68 HD2 TYR 8 2HD TYR 8 -9.646 -5.240 -1.601 69 HE1 TYR 8 1HE TYR 8 -5.794 -8.168 -2.374 70 HE2 TYR 8 2HE TYR 8 -9.955 -7.676 -1.620 71 HH TYR 8 HH TYR 8 -7.422 -9.812 -1.375 72 H ARG 9 HN ARG 9 -9.595 -3.163 -4.973 73 HA ARG 9 HA ARG 9 -11.799 -3.012 -5.306 74 HB2 ARG 9 2HB ARG 9 -11.949 -4.153 -2.518 75 HB3 ARG 9 1HB ARG 9 -13.301 -4.070 -3.642 76 HG2 ARG 9 2HG ARG 9 -12.026 -5.471 -5.222 77 HG3 ARG 9 1HG ARG 9 -10.750 -5.616 -4.015 78 HD2 ARG 9 2HD ARG 9 -13.603 -6.521 -3.707 79 HD3 ARG 9 1HD ARG 9 -12.214 -7.561 -4.011 80 HE ARG 9 HE ARG 9 -11.960 -5.951 -1.645 81 HH11 ARG 9 1HH1 ARG 9 -13.189 -8.986 -2.942 82 HH12 ARG 9 2HH1 ARG 9 -13.240 -9.791 -1.446 83 HH21 ARG 9 1HH2 ARG 9 -11.982 -7.056 0.430 84 HH22 ARG 9 2HH2 ARG 9 -12.511 -8.675 0.507 85 H GLY 10 HN GLY 10 -10.548 -0.665 -4.373 86 HA2 GLY 10 2HA GLY 10 -11.760 1.420 -4.371 87 HA3 GLY 10 1HA GLY 10 -12.941 0.670 -3.310 88 H ILE 11 HN ILE 11 -10.561 -0.534 -1.820 89 HA ILE 11 HA ILE 11 -10.177 1.811 -0.119 90 HB ILE 11 HB ILE 11 -9.464 -1.082 0.470 91 HG12 ILE 11 2HG1 ILE 11 -11.891 0.493 1.365 92 HG13 ILE 11 1HG1 ILE 11 -11.908 -0.766 0.135 93 HG21 ILE 11 1HG2 ILE 11 -9.701 1.346 2.261 94 HG22 ILE 11 2HG2 ILE 11 -8.204 0.544 1.794 95 HG23 ILE 11 3HG2 ILE 11 -9.374 -0.296 2.813 96 HD11 ILE 11 1HD1 ILE 11 -12.730 -1.595 2.261 97 HD12 ILE 11 2HD1 ILE 11 -11.222 -1.132 3.046 98 HD13 ILE 11 3HD1 ILE 11 -11.228 -2.402 1.823 99 H CYS 12 HN CYS 12 -8.402 2.927 -0.562 100 HA CYS 12 HA CYS 12 -6.054 1.467 -1.520 101 HB2 CYS 12 2HB CYS 12 -6.481 4.454 -1.525 102 HB3 CYS 12 1HB CYS 12 -5.194 3.562 -2.298 103 H TYR 13 HN TYR 13 -4.417 1.211 -0.290 104 HA TYR 13 HA TYR 13 -4.224 2.870 2.077 105 HB2 TYR 13 2HB TYR 13 -3.290 0.745 3.231 106 HB3 TYR 13 1HB TYR 13 -5.025 0.939 3.065 107 HD1 TYR 13 1HD TYR 13 -2.095 -0.767 1.518 108 HD2 TYR 13 2HD TYR 13 -6.300 -0.733 2.050 109 HE1 TYR 13 1HE TYR 13 -2.233 -3.005 0.517 110 HE2 TYR 13 2HE TYR 13 -6.462 -2.957 1.043 111 HH TYR 13 HH TYR 13 -5.204 -4.405 -0.430 112 H ARG 14 HN ARG 14 -2.219 3.246 2.911 113 HA ARG 14 HA ARG 14 -0.080 3.239 0.926 114 HB2 ARG 14 2HB ARG 14 -0.253 4.552 3.653 115 HB3 ARG 14 1HB ARG 14 1.022 4.775 2.469 116 HG2 ARG 14 2HG ARG 14 -1.843 5.557 2.034 117 HG3 ARG 14 1HG ARG 14 -0.581 6.645 2.610 118 HD2 ARG 14 2HD ARG 14 -0.567 5.177 -0.030 119 HD3 ARG 14 1HD ARG 14 -0.982 6.871 0.220 120 HE ARG 14 HE ARG 14 1.597 6.301 1.253 121 HH11 ARG 14 1HH1 ARG 14 -0.103 6.987 -1.776 122 HH12 ARG 14 2HH1 ARG 14 1.293 7.506 -2.600 123 HH21 ARG 14 1HH2 ARG 14 3.481 7.054 0.144 124 HH22 ARG 14 2HH2 ARG 14 3.389 7.570 -1.483 125 H ARG 15 HN ARG 15 1.255 1.518 1.026 126 HA ARG 15 HA ARG 15 1.826 0.438 3.696 127 HB2 ARG 15 2HB ARG 15 1.810 -0.960 1.026 128 HB3 ARG 15 1HB ARG 15 2.468 -1.676 2.493 129 HG2 ARG 15 2HG ARG 15 -0.346 -0.739 2.142 130 HG3 ARG 15 1HG ARG 15 0.151 -2.413 1.860 131 HD2 ARG 15 2HD ARG 15 -0.827 -2.295 4.048 132 HD3 ARG 15 1HD ARG 15 0.909 -2.438 4.284 133 HE ARG 15 HE ARG 15 0.049 0.284 4.259 134 HH11 ARG 15 1HH1 ARG 15 0.115 -2.565 6.364 135 HH12 ARG 15 2HH1 ARG 15 0.279 -1.643 7.790 136 HH21 ARG 15 1HH2 ARG 15 0.186 1.500 6.191 137 HH22 ARG 15 2HH2 ARG 15 0.277 0.709 7.705 138 H CYS 16 HN CYS 16 3.969 -0.073 4.199 139 HA CYS 16 HA CYS 16 5.908 1.028 2.332 140 HB2 CYS 16 2HB CYS 16 5.769 1.539 5.297 141 HB3 CYS 16 1HB CYS 16 7.175 1.898 4.305 142 H ARG 17 HN ARG 17 7.759 0.014 2.146 143 HA ARG 17 HA ARG 17 8.402 -2.109 4.010 144 HB2 ARG 17 2HB ARG 17 7.465 -3.195 2.026 145 HB3 ARG 17 1HB ARG 17 8.529 -2.253 0.989 146 HG2 ARG 17 2HG ARG 17 10.468 -3.338 2.050 147 HG3 ARG 17 1HG ARG 17 9.357 -4.319 3.002 148 HD2 ARG 17 2HD ARG 17 8.479 -5.324 1.003 149 HD3 ARG 17 1HD ARG 17 9.493 -4.282 -0.002 150 HE ARG 17 HE ARG 17 11.232 -5.503 1.671 151 HH11 ARG 17 1HH1 ARG 17 8.829 -6.727 -0.591 152 HH12 ARG 17 2HH1 ARG 17 9.690 -8.141 -0.954 153 HH21 ARG 17 1HH2 ARG 17 12.407 -7.385 1.196 154 HH22 ARG 17 2HH2 ARG 17 11.811 -8.533 0.083 155 H GLY 18 HN GLY 18 9.904 -0.879 4.974 156 HA2 GLY 18 2HA GLY 18 12.036 -0.130 5.315 157 HA3 GLY 18 1HA GLY 18 12.421 -0.597 3.657 Start of MODEL 17 1 H1 LYS 1 HN LYS 1 12.199 0.257 1.686 2 HA LYS 1 HA LYS 1 11.393 2.343 3.579 3 HB2 LYS 1 2HB LYS 1 13.115 3.788 2.726 4 HB3 LYS 1 1HB LYS 1 13.861 2.272 3.188 5 HG2 LYS 1 2HG LYS 1 14.085 1.622 0.887 6 HG3 LYS 1 1HG LYS 1 13.136 3.019 0.364 7 HD2 LYS 1 2HD LYS 1 14.869 4.498 1.370 8 HD3 LYS 1 1HD LYS 1 15.837 3.067 1.712 9 HE2 LYS 1 2HE LYS 1 14.952 3.970 -1.037 10 HE3 LYS 1 1HE LYS 1 16.543 4.253 -0.347 11 HZ1 LYS 1 1HZ LYS 1 15.375 1.570 -0.866 12 HZ2 LYS 1 2HZ LYS 1 16.925 1.873 -0.310 13 HZ3 LYS 1 3HZ LYS 1 16.465 2.362 -1.867 14 H TRP 2 HN TRP 2 10.344 0.820 0.970 15 HA TRP 2 HA TRP 2 9.680 3.196 -0.556 16 HB2 TRP 2 2HB TRP 2 10.620 1.306 -1.807 17 HB3 TRP 2 1HB TRP 2 9.320 0.272 -1.235 18 HD1 TRP 2 1HD TRP 2 8.936 3.829 -2.730 19 HE1 TRP 2 1HE TRP 2 7.440 3.659 -4.823 20 HE3 TRP 2 3HE TRP 2 8.374 -1.246 -2.932 21 HZ2 TRP 2 2HZ TRP 2 6.217 1.664 -6.358 22 HZ3 TRP 2 3HZ TRP 2 7.030 -2.197 -4.763 23 HH2 TRP 2 2HH TRP 2 5.982 -0.763 -6.434 24 H CYS 3 HN CYS 3 7.876 4.167 -0.184 25 HA CYS 3 HA CYS 3 5.618 2.695 0.959 26 HB2 CYS 3 2HB CYS 3 6.199 5.670 0.994 27 HB3 CYS 3 1HB CYS 3 4.844 4.852 1.766 28 H PHE 4 HN PHE 4 4.004 2.354 -0.342 29 HA PHE 4 HA PHE 4 3.640 4.082 -2.654 30 HB2 PHE 4 2HB PHE 4 3.352 2.110 -4.119 31 HB3 PHE 4 1HB PHE 4 4.981 2.254 -3.483 32 HD1 PHE 4 1HD PHE 4 2.072 0.165 -3.779 33 HD2 PHE 4 2HD PHE 4 5.674 0.722 -1.584 34 HE1 PHE 4 1HE PHE 4 1.968 -2.171 -3.012 35 HE2 PHE 4 2HE PHE 4 5.569 -1.603 -0.808 36 HZ PHE 4 HZ PHE 4 3.715 -3.059 -1.525 37 H ARG 5 HN ARG 5 1.612 3.770 -3.725 38 HA ARG 5 HA ARG 5 -0.585 3.584 -1.897 39 HB2 ARG 5 2HB ARG 5 -0.614 5.232 -3.675 40 HB3 ARG 5 1HB ARG 5 -0.415 3.977 -4.887 41 HG2 ARG 5 2HG ARG 5 -2.623 3.099 -4.363 42 HG3 ARG 5 1HG ARG 5 -2.826 4.320 -3.108 43 HD2 ARG 5 2HD ARG 5 -2.652 6.085 -4.781 44 HD3 ARG 5 1HD ARG 5 -2.366 4.864 -6.020 45 HE ARG 5 HE ARG 5 -4.683 4.048 -5.177 46 HH11 ARG 5 1HH1 ARG 5 -3.672 7.395 -5.774 47 HH12 ARG 5 2HH1 ARG 5 -5.234 7.953 -6.163 48 HH21 ARG 5 1HH2 ARG 5 -6.848 4.825 -5.710 49 HH22 ARG 5 2HH2 ARG 5 -7.080 6.453 -6.123 50 H VAL 6 HN VAL 6 -1.690 1.825 -1.467 51 HA VAL 6 HA VAL 6 -1.472 -0.493 -3.259 52 HB VAL 6 HB VAL 6 -2.073 -0.469 -0.286 53 HG11 VAL 6 1HG1 VAL 6 -3.114 -2.336 -1.432 54 HG12 VAL 6 2HG1 VAL 6 -1.800 -2.895 -0.401 55 HG13 VAL 6 3HG1 VAL 6 -1.564 -2.788 -2.143 56 HG21 VAL 6 1HG2 VAL 6 0.463 -1.246 -1.708 57 HG22 VAL 6 2HG2 VAL 6 0.134 -1.501 0.003 58 HG23 VAL 6 3HG2 VAL 6 0.239 0.141 -0.639 59 H CYS 7 HN CYS 7 -3.389 -0.952 -4.213 60 HA CYS 7 HA CYS 7 -5.759 0.064 -2.862 61 HB2 CYS 7 2HB CYS 7 -5.358 -0.367 -5.828 62 HB3 CYS 7 1HB CYS 7 -6.874 0.119 -5.076 63 H TYR 8 HN TYR 8 -7.163 -1.242 -2.153 64 HA TYR 8 HA TYR 8 -7.147 -4.027 -3.036 65 HB2 TYR 8 2HB TYR 8 -5.880 -3.751 -0.926 66 HB3 TYR 8 1HB TYR 8 -7.292 -2.971 -0.227 67 HD1 TYR 8 1HD TYR 8 -8.968 -4.237 0.810 68 HD2 TYR 8 2HD TYR 8 -6.060 -6.190 -1.591 69 HE1 TYR 8 1HE TYR 8 -9.755 -6.401 1.642 70 HE2 TYR 8 2HE TYR 8 -6.827 -8.360 -0.777 71 HH TYR 8 HH TYR 8 -7.969 -9.259 1.136 72 H ARG 9 HN ARG 9 -9.018 -4.017 -4.080 73 HA ARG 9 HA ARG 9 -11.247 -4.128 -4.477 74 HB2 ARG 9 2HB ARG 9 -11.418 -4.051 -1.462 75 HB3 ARG 9 1HB ARG 9 -12.781 -4.396 -2.519 76 HG2 ARG 9 2HG ARG 9 -11.637 -6.369 -3.376 77 HG3 ARG 9 1HG ARG 9 -10.244 -6.007 -2.359 78 HD2 ARG 9 2HD ARG 9 -11.631 -7.748 -1.373 79 HD3 ARG 9 1HD ARG 9 -11.615 -6.309 -0.365 80 HE ARG 9 HE ARG 9 -13.798 -5.908 -1.813 81 HH11 ARG 9 1HH1 ARG 9 -12.718 -8.829 -0.121 82 HH12 ARG 9 2HH1 ARG 9 -14.278 -9.348 0.295 83 HH21 ARG 9 1HH2 ARG 9 -15.956 -6.628 -1.251 84 HH22 ARG 9 2HH2 ARG 9 -16.164 -8.062 -0.360 85 H GLY 10 HN GLY 10 -9.921 -1.540 -4.329 86 HA2 GLY 10 2HA GLY 10 -10.956 0.461 -5.149 87 HA3 GLY 10 1HA GLY 10 -12.348 0.112 -4.130 88 H ILE 11 HN ILE 11 -10.340 -0.655 -1.993 89 HA ILE 11 HA ILE 11 -10.169 1.997 -0.842 90 HB ILE 11 HB ILE 11 -9.474 -0.708 0.337 91 HG12 ILE 11 2HG1 ILE 11 -11.960 0.974 0.702 92 HG13 ILE 11 1HG1 ILE 11 -11.857 -0.490 -0.267 93 HG21 ILE 11 1HG2 ILE 11 -9.537 0.433 2.502 94 HG22 ILE 11 2HG2 ILE 11 -9.863 1.965 1.698 95 HG23 ILE 11 3HG2 ILE 11 -8.316 1.154 1.451 96 HD11 ILE 11 1HD1 ILE 11 -11.438 -0.293 2.699 97 HD12 ILE 11 2HD1 ILE 11 -11.327 -1.764 1.733 98 HD13 ILE 11 3HD1 ILE 11 -12.870 -0.923 1.883 99 H CYS 12 HN CYS 12 -8.340 3.129 -1.140 100 HA CYS 12 HA CYS 12 -5.908 1.589 -1.609 101 HB2 CYS 12 2HB CYS 12 -6.458 4.468 -2.345 102 HB3 CYS 12 1HB CYS 12 -5.005 3.560 -2.712 103 H TYR 13 HN TYR 13 -4.364 1.681 -0.231 104 HA TYR 13 HA TYR 13 -4.310 3.831 1.723 105 HB2 TYR 13 2HB TYR 13 -3.620 2.099 3.467 106 HB3 TYR 13 1HB TYR 13 -5.309 2.098 3.002 107 HD1 TYR 13 1HD TYR 13 -2.091 0.272 2.605 108 HD2 TYR 13 2HD TYR 13 -6.318 0.143 2.082 109 HE1 TYR 13 1HE TYR 13 -1.974 -2.132 2.211 110 HE2 TYR 13 2HE TYR 13 -6.201 -2.265 1.672 111 HH TYR 13 HH TYR 13 -4.469 -3.962 0.901 112 H ARG 14 HN ARG 14 -2.104 3.708 2.943 113 HA ARG 14 HA ARG 14 -0.094 3.436 0.819 114 HB2 ARG 14 2HB ARG 14 0.079 5.029 3.385 115 HB3 ARG 14 1HB ARG 14 1.219 5.054 2.053 116 HG2 ARG 14 2HG ARG 14 -1.627 6.047 1.965 117 HG3 ARG 14 1HG ARG 14 -0.182 7.048 2.080 118 HD2 ARG 14 2HD ARG 14 -0.861 5.209 -0.214 119 HD3 ARG 14 1HD ARG 14 -1.110 6.950 -0.190 120 HE ARG 14 HE ARG 14 1.584 6.188 0.362 121 HH11 ARG 14 1HH1 ARG 14 -0.716 6.939 -2.208 122 HH12 ARG 14 2HH1 ARG 14 0.465 7.304 -3.371 123 HH21 ARG 14 1HH2 ARG 14 3.231 6.710 -1.209 124 HH22 ARG 14 2HH2 ARG 14 2.775 7.161 -2.785 125 H ARG 15 HN ARG 15 1.438 1.941 1.060 126 HA ARG 15 HA ARG 15 1.958 0.938 3.757 127 HB2 ARG 15 2HB ARG 15 1.548 -0.631 1.249 128 HB3 ARG 15 1HB ARG 15 2.488 -1.304 2.588 129 HG2 ARG 15 2HG ARG 15 -0.368 -0.424 2.597 130 HG3 ARG 15 1HG ARG 15 0.202 -2.093 2.555 131 HD2 ARG 15 2HD ARG 15 0.608 -0.114 4.813 132 HD3 ARG 15 1HD ARG 15 -0.492 -1.483 4.803 133 HE ARG 15 HE ARG 15 1.993 -2.505 4.251 134 HH11 ARG 15 1HH1 ARG 15 0.463 -0.793 6.959 135 HH12 ARG 15 2HH1 ARG 15 1.418 -1.513 8.151 136 HH21 ARG 15 1HH2 ARG 15 3.341 -3.489 5.902 137 HH22 ARG 15 2HH2 ARG 15 3.109 -3.074 7.540 138 H CYS 16 HN CYS 16 4.001 0.520 4.281 139 HA CYS 16 HA CYS 16 6.021 1.353 2.338 140 HB2 CYS 16 2HB CYS 16 6.080 1.514 5.353 141 HB3 CYS 16 1HB CYS 16 7.389 1.995 4.278 142 H ARG 17 HN ARG 17 6.980 -0.294 1.543 143 HA ARG 17 HA ARG 17 7.609 -2.598 3.252 144 HB2 ARG 17 2HB ARG 17 6.267 -3.146 1.253 145 HB3 ARG 17 1HB ARG 17 7.460 -2.357 0.234 146 HG2 ARG 17 2HG ARG 17 9.110 -4.033 0.824 147 HG3 ARG 17 1HG ARG 17 7.954 -4.812 1.907 148 HD2 ARG 17 2HD ARG 17 6.495 -5.302 0.044 149 HD3 ARG 17 1HD ARG 17 7.563 -4.430 -1.053 150 HE ARG 17 HE ARG 17 9.084 -6.370 0.179 151 HH11 ARG 17 1HH1 ARG 17 6.269 -6.308 -1.984 152 HH12 ARG 17 2HH1 ARG 17 6.698 -7.725 -2.814 153 HH21 ARG 17 1HH2 ARG 17 9.633 -8.379 -0.944 154 HH22 ARG 17 2HH2 ARG 17 8.618 -8.939 -2.186 155 H GLY 18 HN GLY 18 9.644 -2.509 3.977 156 HA2 GLY 18 2HA GLY 18 11.885 -2.056 4.058 157 HA3 GLY 18 1HA GLY 18 11.847 -1.775 2.313 Start of MODEL 18 1 H1 LYS 1 HN LYS 1 11.903 0.176 2.045 2 HA LYS 1 HA LYS 1 11.217 2.476 3.735 3 HB2 LYS 1 2HB LYS 1 13.208 3.614 2.884 4 HB3 LYS 1 1HB LYS 1 13.631 2.110 3.698 5 HG2 LYS 1 2HG LYS 1 13.921 1.009 1.558 6 HG3 LYS 1 1HG LYS 1 13.463 2.494 0.720 7 HD2 LYS 1 2HD LYS 1 15.364 3.643 1.698 8 HD3 LYS 1 1HD LYS 1 15.813 2.180 2.574 9 HE2 LYS 1 2HE LYS 1 16.094 1.025 0.408 10 HE3 LYS 1 1HE LYS 1 15.735 2.542 -0.417 11 HZ1 LYS 1 1HZ LYS 1 18.110 2.151 -0.238 12 HZ2 LYS 1 2HZ LYS 1 17.992 2.117 1.453 13 HZ3 LYS 1 3HZ LYS 1 17.656 3.528 0.614 14 H TRP 2 HN TRP 2 10.314 0.841 1.171 15 HA TRP 2 HA TRP 2 9.887 3.140 -0.573 16 HB2 TRP 2 2HB TRP 2 11.009 1.268 -1.657 17 HB3 TRP 2 1HB TRP 2 9.781 0.154 -1.082 18 HD1 TRP 2 1HD TRP 2 9.461 3.469 -3.124 19 HE1 TRP 2 1HE TRP 2 8.046 2.950 -5.217 20 HE3 TRP 2 3HE TRP 2 8.737 -1.529 -2.403 21 HZ2 TRP 2 2HZ TRP 2 6.802 0.713 -6.410 22 HZ3 TRP 2 3HZ TRP 2 7.428 -2.796 -4.074 23 HH2 TRP 2 2HH TRP 2 6.484 -1.689 -6.031 24 H CYS 3 HN CYS 3 8.018 4.081 -0.178 25 HA CYS 3 HA CYS 3 5.776 2.444 0.769 26 HB2 CYS 3 2HB CYS 3 6.197 5.420 1.020 27 HB3 CYS 3 1HB CYS 3 4.906 4.478 1.759 28 H PHE 4 HN PHE 4 4.085 2.254 -0.498 29 HA PHE 4 HA PHE 4 3.723 4.141 -2.672 30 HB2 PHE 4 2HB PHE 4 3.411 2.273 -4.289 31 HB3 PHE 4 1HB PHE 4 5.055 2.392 -3.681 32 HD1 PHE 4 1HD PHE 4 2.219 0.257 -4.136 33 HD2 PHE 4 2HD PHE 4 5.739 0.801 -1.809 34 HE1 PHE 4 1HE PHE 4 2.154 -2.100 -3.469 35 HE2 PHE 4 2HE PHE 4 5.666 -1.544 -1.141 36 HZ PHE 4 HZ PHE 4 3.878 -3.002 -1.963 37 H ARG 5 HN ARG 5 1.669 3.913 -3.708 38 HA ARG 5 HA ARG 5 -0.487 3.635 -1.841 39 HB2 ARG 5 2HB ARG 5 -0.360 5.390 -3.586 40 HB3 ARG 5 1HB ARG 5 -0.467 4.149 -4.815 41 HG2 ARG 5 2HG ARG 5 -2.721 3.560 -3.958 42 HG3 ARG 5 1HG ARG 5 -2.602 4.921 -2.834 43 HD2 ARG 5 2HD ARG 5 -2.233 6.421 -4.739 44 HD3 ARG 5 1HD ARG 5 -2.462 5.068 -5.842 45 HE ARG 5 HE ARG 5 -4.602 5.803 -3.980 46 HH11 ARG 5 1HH1 ARG 5 -3.475 5.532 -7.345 47 HH12 ARG 5 2HH1 ARG 5 -4.989 5.871 -8.012 48 HH21 ARG 5 1HH2 ARG 5 -6.686 6.304 -4.943 49 HH22 ARG 5 2HH2 ARG 5 -6.830 6.341 -6.636 50 H VAL 6 HN VAL 6 -1.759 1.880 -1.613 51 HA VAL 6 HA VAL 6 -1.639 -0.226 -3.659 52 HB VAL 6 HB VAL 6 -1.960 -0.697 -0.687 53 HG11 VAL 6 1HG1 VAL 6 -3.003 -2.393 -2.072 54 HG12 VAL 6 2HG1 VAL 6 -1.586 -3.054 -1.255 55 HG13 VAL 6 3HG1 VAL 6 -1.497 -2.621 -2.962 56 HG21 VAL 6 1HG2 VAL 6 0.499 -1.101 -2.379 57 HG22 VAL 6 2HG2 VAL 6 0.310 -1.628 -0.708 58 HG23 VAL 6 3HG2 VAL 6 0.298 0.093 -1.098 59 H CYS 7 HN CYS 7 -3.593 -0.505 -4.485 60 HA CYS 7 HA CYS 7 -5.901 0.259 -2.852 61 HB2 CYS 7 2HB CYS 7 -5.633 0.049 -5.851 62 HB3 CYS 7 1HB CYS 7 -7.098 0.511 -4.984 63 H TYR 8 HN TYR 8 -7.047 -1.286 -2.063 64 HA TYR 8 HA TYR 8 -7.017 -3.862 -3.428 65 HB2 TYR 8 2HB TYR 8 -5.550 -3.816 -1.420 66 HB3 TYR 8 1HB TYR 8 -6.950 -3.382 -0.453 67 HD1 TYR 8 1HD TYR 8 -8.038 -5.082 0.679 68 HD2 TYR 8 2HD TYR 8 -5.877 -6.045 -2.848 69 HE1 TYR 8 1HE TYR 8 -8.529 -7.453 1.036 70 HE2 TYR 8 2HE TYR 8 -6.361 -8.417 -2.507 71 HH TYR 8 HH TYR 8 -8.687 -9.527 -0.378 72 H ARG 9 HN ARG 9 -8.914 -3.897 -4.272 73 HA ARG 9 HA ARG 9 -11.115 -4.104 -4.561 74 HB2 ARG 9 2HB ARG 9 -11.200 -4.393 -1.550 75 HB3 ARG 9 1HB ARG 9 -12.543 -4.744 -2.622 76 HG2 ARG 9 2HG ARG 9 -11.190 -6.496 -3.709 77 HG3 ARG 9 1HG ARG 9 -9.883 -6.159 -2.574 78 HD2 ARG 9 2HD ARG 9 -12.655 -7.115 -1.866 79 HD3 ARG 9 1HD ARG 9 -11.199 -8.104 -1.888 80 HE ARG 9 HE ARG 9 -10.777 -5.923 -0.175 81 HH11 ARG 9 1HH1 ARG 9 -12.755 -8.851 -0.304 82 HH12 ARG 9 2HH1 ARG 9 -12.833 -9.040 1.385 83 HH21 ARG 9 1HH2 ARG 9 -10.861 -6.200 2.158 84 HH22 ARG 9 2HH2 ARG 9 -11.747 -7.495 2.806 85 H GLY 10 HN GLY 10 -9.946 -1.485 -4.181 86 HA2 GLY 10 2HA GLY 10 -11.232 0.482 -4.753 87 HA3 GLY 10 1HA GLY 10 -12.445 -0.038 -3.590 88 H ILE 11 HN ILE 11 -10.331 -0.777 -1.662 89 HA ILE 11 HA ILE 11 -10.119 1.857 -0.485 90 HB ILE 11 HB ILE 11 -9.301 -0.835 0.661 91 HG12 ILE 11 2HG1 ILE 11 -11.826 0.778 1.136 92 HG13 ILE 11 1HG1 ILE 11 -11.731 -0.694 0.181 93 HG21 ILE 11 1HG2 ILE 11 -8.152 1.052 1.719 94 HG22 ILE 11 2HG2 ILE 11 -9.323 0.332 2.825 95 HG23 ILE 11 3HG2 ILE 11 -9.701 1.846 2.005 96 HD11 ILE 11 1HD1 ILE 11 -12.642 -1.125 2.397 97 HD12 ILE 11 2HD1 ILE 11 -11.181 -0.466 3.134 98 HD13 ILE 11 3HD1 ILE 11 -11.095 -1.945 2.187 99 H CYS 12 HN CYS 12 -8.397 3.050 -0.997 100 HA CYS 12 HA CYS 12 -5.884 1.686 -1.588 101 HB2 CYS 12 2HB CYS 12 -6.587 4.580 -2.020 102 HB3 CYS 12 1HB CYS 12 -5.129 3.772 -2.540 103 H TYR 13 HN TYR 13 -4.390 1.639 -0.216 104 HA TYR 13 HA TYR 13 -4.224 3.674 1.870 105 HB2 TYR 13 2HB TYR 13 -3.375 1.769 3.369 106 HB3 TYR 13 1HB TYR 13 -5.103 1.809 3.054 107 HD1 TYR 13 1HD TYR 13 -6.184 0.023 1.916 108 HD2 TYR 13 2HD TYR 13 -1.946 0.071 2.199 109 HE1 TYR 13 1HE TYR 13 -6.119 -2.275 1.118 110 HE2 TYR 13 2HE TYR 13 -1.875 -2.245 1.396 111 HH TYR 13 HH TYR 13 -4.455 -3.771 -0.047 112 H ARG 14 HN ARG 14 -1.990 3.715 2.799 113 HA ARG 14 HA ARG 14 -0.103 3.354 0.602 114 HB2 ARG 14 2HB ARG 14 -0.416 5.632 1.534 115 HB3 ARG 14 1HB ARG 14 0.097 5.038 3.101 116 HG2 ARG 14 2HG ARG 14 2.312 4.585 2.245 117 HG3 ARG 14 1HG ARG 14 1.807 5.065 0.620 118 HD2 ARG 14 2HD ARG 14 1.829 6.832 3.064 119 HD3 ARG 14 1HD ARG 14 3.007 6.870 1.750 120 HE ARG 14 HE ARG 14 0.832 7.291 0.362 121 HH11 ARG 14 1HH1 ARG 14 1.645 8.733 3.497 122 HH12 ARG 14 2HH1 ARG 14 0.740 10.140 3.243 123 HH21 ARG 14 1HH2 ARG 14 -0.381 9.227 -0.010 124 HH22 ARG 14 2HH2 ARG 14 -0.455 10.444 1.171 125 H ARG 15 HN ARG 15 1.457 1.890 0.788 126 HA ARG 15 HA ARG 15 1.869 0.667 3.428 127 HB2 ARG 15 2HB ARG 15 1.741 -0.566 0.733 128 HB3 ARG 15 1HB ARG 15 2.609 -1.395 2.039 129 HG2 ARG 15 2HG ARG 15 -0.282 -0.655 1.821 130 HG3 ARG 15 1HG ARG 15 0.404 -2.272 1.737 131 HD2 ARG 15 2HD ARG 15 0.409 -0.471 4.162 132 HD3 ARG 15 1HD ARG 15 -0.587 -1.900 3.920 133 HE ARG 15 HE ARG 15 1.856 -2.896 3.607 134 HH11 ARG 15 1HH1 ARG 15 0.593 -0.788 6.172 135 HH12 ARG 15 2HH1 ARG 15 1.568 -1.500 7.374 136 HH21 ARG 15 1HH2 ARG 15 3.181 -3.792 5.232 137 HH22 ARG 15 2HH2 ARG 15 3.092 -3.233 6.831 138 H CYS 16 HN CYS 16 3.787 0.623 4.173 139 HA CYS 16 HA CYS 16 5.964 1.449 2.443 140 HB2 CYS 16 2HB CYS 16 5.704 1.433 5.439 141 HB3 CYS 16 1HB CYS 16 7.222 1.750 4.603 142 H ARG 17 HN ARG 17 6.960 -0.029 1.534 143 HA ARG 17 HA ARG 17 7.338 -2.633 2.793 144 HB2 ARG 17 2HB ARG 17 6.230 -2.577 0.617 145 HB3 ARG 17 1HB ARG 17 7.552 -1.642 -0.052 146 HG2 ARG 17 2HG ARG 17 9.022 -3.535 0.130 147 HG3 ARG 17 1HG ARG 17 7.761 -4.488 0.923 148 HD2 ARG 17 2HD ARG 17 6.337 -4.225 -1.047 149 HD3 ARG 17 1HD ARG 17 7.599 -3.295 -1.836 150 HE ARG 17 HE ARG 17 8.824 -5.599 -1.229 151 HH11 ARG 17 1HH1 ARG 17 5.764 -4.932 -2.850 152 HH12 ARG 17 2HH1 ARG 17 5.903 -6.199 -3.980 153 HH21 ARG 17 1HH2 ARG 17 9.016 -7.342 -2.761 154 HH22 ARG 17 2HH2 ARG 17 7.807 -7.619 -3.916 155 H GLY 18 HN GLY 18 9.084 -2.280 4.052 156 HA2 GLY 18 2HA GLY 18 11.299 -2.001 4.582 157 HA3 GLY 18 1HA GLY 18 11.642 -1.807 2.861 Start of MODEL 19 1 H1 LYS 1 HN LYS 1 12.005 0.356 2.403 2 HA LYS 1 HA LYS 1 11.167 2.595 4.096 3 HB2 LYS 1 2HB LYS 1 13.007 3.894 3.042 4 HB3 LYS 1 1HB LYS 1 13.564 2.513 3.983 5 HG2 LYS 1 2HG LYS 1 13.963 1.245 1.975 6 HG3 LYS 1 1HG LYS 1 13.295 2.543 0.984 7 HD2 LYS 1 2HD LYS 1 15.737 2.814 2.744 8 HD3 LYS 1 1HD LYS 1 15.797 2.447 1.023 9 HE2 LYS 1 2HE LYS 1 14.641 4.572 0.550 10 HE3 LYS 1 1HE LYS 1 14.621 4.933 2.271 11 HZ1 LYS 1 1HZ LYS 1 17.072 4.591 0.620 12 HZ2 LYS 1 2HZ LYS 1 17.034 4.987 2.262 13 HZ3 LYS 1 3HZ LYS 1 16.429 6.057 1.139 14 H TRP 2 HN TRP 2 10.781 1.013 1.152 15 HA TRP 2 HA TRP 2 9.988 3.321 -0.371 16 HB2 TRP 2 2HB TRP 2 11.124 1.616 -1.600 17 HB3 TRP 2 1HB TRP 2 10.052 0.365 -0.985 18 HD1 TRP 2 1HD TRP 2 9.364 3.680 -2.933 19 HE1 TRP 2 1HE TRP 2 7.793 3.104 -4.905 20 HE3 TRP 2 3HE TRP 2 8.964 -1.356 -2.213 21 HZ2 TRP 2 2HZ TRP 2 6.584 0.827 -6.011 22 HZ3 TRP 2 3HZ TRP 2 7.593 -2.662 -3.777 23 HH2 TRP 2 2HH TRP 2 6.426 -1.588 -5.638 24 H CYS 3 HN CYS 3 8.104 4.157 -0.287 25 HA CYS 3 HA CYS 3 5.839 2.575 0.690 26 HB2 CYS 3 2HB CYS 3 6.216 5.567 0.683 27 HB3 CYS 3 1HB CYS 3 4.839 4.694 1.346 28 H PHE 4 HN PHE 4 4.192 2.257 -0.560 29 HA PHE 4 HA PHE 4 3.806 3.824 -2.974 30 HB2 PHE 4 2HB PHE 4 3.414 1.681 -4.235 31 HB3 PHE 4 1HB PHE 4 5.083 1.905 -3.735 32 HD1 PHE 4 1HD PHE 4 5.889 0.630 -1.669 33 HD2 PHE 4 2HD PHE 4 2.238 -0.256 -3.652 34 HE1 PHE 4 1HE PHE 4 5.875 -1.587 -0.628 35 HE2 PHE 4 2HE PHE 4 2.215 -2.486 -2.603 36 HZ PHE 4 HZ PHE 4 4.035 -3.150 -1.086 37 H ARG 5 HN ARG 5 1.608 3.681 -3.727 38 HA ARG 5 HA ARG 5 -0.212 3.137 -1.510 39 HB2 ARG 5 2HB ARG 5 -0.123 5.433 -2.612 40 HB3 ARG 5 1HB ARG 5 -0.821 4.680 -4.038 41 HG2 ARG 5 2HG ARG 5 -2.805 4.071 -2.777 42 HG3 ARG 5 1HG ARG 5 -2.099 4.746 -1.309 43 HD2 ARG 5 2HD ARG 5 -1.984 6.951 -2.460 44 HD3 ARG 5 1HD ARG 5 -2.855 6.252 -3.815 45 HE ARG 5 HE ARG 5 -3.923 6.386 -1.084 46 HH11 ARG 5 1HH1 ARG 5 -4.448 6.688 -4.597 47 HH12 ARG 5 2HH1 ARG 5 -6.042 7.270 -4.461 48 HH21 ARG 5 1HH2 ARG 5 -6.159 7.216 -0.908 49 HH22 ARG 5 2HH2 ARG 5 -7.021 7.571 -2.321 50 H VAL 6 HN VAL 6 -1.885 1.725 -1.697 51 HA VAL 6 HA VAL 6 -1.943 0.086 -4.142 52 HB VAL 6 HB VAL 6 -2.289 -0.923 -1.306 53 HG11 VAL 6 1HG1 VAL 6 -3.487 -2.248 -2.932 54 HG12 VAL 6 2HG1 VAL 6 -2.119 -3.161 -2.294 55 HG13 VAL 6 3HG1 VAL 6 -2.024 -2.433 -3.899 56 HG21 VAL 6 1HG2 VAL 6 0.118 -1.216 -3.087 57 HG22 VAL 6 2HG2 VAL 6 -0.112 -2.026 -1.539 58 HG23 VAL 6 3HG2 VAL 6 0.026 -0.266 -1.607 59 H CYS 7 HN CYS 7 -3.981 -0.219 -4.876 60 HA CYS 7 HA CYS 7 -6.148 0.430 -3.050 61 HB2 CYS 7 2HB CYS 7 -6.086 0.445 -6.078 62 HB3 CYS 7 1HB CYS 7 -7.523 0.730 -5.102 63 H TYR 8 HN TYR 8 -7.163 -1.181 -2.279 64 HA TYR 8 HA TYR 8 -7.131 -3.756 -3.658 65 HB2 TYR 8 2HB TYR 8 -5.439 -3.568 -1.825 66 HB3 TYR 8 1HB TYR 8 -6.736 -3.162 -0.724 67 HD1 TYR 8 1HD TYR 8 -5.270 -5.835 -2.771 68 HD2 TYR 8 2HD TYR 8 -8.070 -4.878 0.269 69 HE1 TYR 8 1HE TYR 8 -5.473 -8.211 -2.233 70 HE2 TYR 8 2HE TYR 8 -8.295 -7.253 0.827 71 HH TYR 8 HH TYR 8 -7.936 -9.427 -0.222 72 H ARG 9 HN ARG 9 -9.204 -3.955 -4.188 73 HA ARG 9 HA ARG 9 -11.418 -4.283 -4.049 74 HB2 ARG 9 2HB ARG 9 -11.078 -3.989 -1.054 75 HB3 ARG 9 1HB ARG 9 -12.523 -4.594 -1.853 76 HG2 ARG 9 2HG ARG 9 -11.325 -6.518 -2.671 77 HG3 ARG 9 1HG ARG 9 -9.812 -5.888 -2.017 78 HD2 ARG 9 2HD ARG 9 -10.668 -7.571 -0.528 79 HD3 ARG 9 1HD ARG 9 -10.796 -5.995 0.243 80 HE ARG 9 HE ARG 9 -13.096 -7.120 -1.148 81 HH11 ARG 9 1HH1 ARG 9 -11.611 -6.050 1.918 82 HH12 ARG 9 2HH1 ARG 9 -13.070 -6.200 2.791 83 HH21 ARG 9 1HH2 ARG 9 -15.037 -7.331 0.102 84 HH22 ARG 9 2HH2 ARG 9 -15.030 -6.949 1.773 85 H GLY 10 HN GLY 10 -10.095 -1.601 -4.033 86 HA2 GLY 10 2HA GLY 10 -11.109 0.436 -4.633 87 HA3 GLY 10 1HA GLY 10 -12.533 -0.017 -3.706 88 H ILE 11 HN ILE 11 -10.089 -0.871 -1.817 89 HA ILE 11 HA ILE 11 -10.193 1.597 -0.271 90 HB ILE 11 HB ILE 11 -9.143 -1.158 0.459 91 HG12 ILE 11 2HG1 ILE 11 -11.776 0.132 1.216 92 HG13 ILE 11 1HG1 ILE 11 -11.589 -1.138 0.015 93 HG21 ILE 11 1HG2 ILE 11 -8.138 0.669 1.749 94 HG22 ILE 11 2HG2 ILE 11 -9.170 -0.344 2.757 95 HG23 ILE 11 3HG2 ILE 11 -9.746 1.229 2.207 96 HD11 ILE 11 1HD1 ILE 11 -10.799 -2.658 1.751 97 HD12 ILE 11 2HD1 ILE 11 -12.400 -2.017 2.134 98 HD13 ILE 11 3HD1 ILE 11 -10.970 -1.378 2.949 99 H CYS 12 HN CYS 12 -8.504 2.932 -0.675 100 HA CYS 12 HA CYS 12 -6.000 1.677 -1.490 101 HB2 CYS 12 2HB CYS 12 -6.661 4.604 -1.760 102 HB3 CYS 12 1HB CYS 12 -5.351 3.716 -2.486 103 H TYR 13 HN TYR 13 -4.281 1.831 -0.364 104 HA TYR 13 HA TYR 13 -4.060 3.693 1.847 105 HB2 TYR 13 2HB TYR 13 -3.219 1.726 3.278 106 HB3 TYR 13 1HB TYR 13 -4.954 1.874 3.055 107 HD1 TYR 13 1HD TYR 13 -6.182 0.067 2.242 108 HD2 TYR 13 2HD TYR 13 -1.960 0.028 1.742 109 HE1 TYR 13 1HE TYR 13 -6.306 -2.244 1.449 110 HE2 TYR 13 2HE TYR 13 -2.075 -2.294 0.957 111 HH TYR 13 HH TYR 13 -3.497 -4.209 1.032 112 H ARG 14 HN ARG 14 -1.827 3.823 2.624 113 HA ARG 14 HA ARG 14 0.025 3.198 0.444 114 HB2 ARG 14 2HB ARG 14 -0.194 5.573 1.335 115 HB3 ARG 14 1HB ARG 14 0.556 4.984 2.814 116 HG2 ARG 14 2HG ARG 14 2.507 4.240 1.485 117 HG3 ARG 14 1HG ARG 14 1.768 4.958 0.055 118 HD2 ARG 14 2HD ARG 14 3.366 6.510 0.931 119 HD3 ARG 14 1HD ARG 14 1.752 7.139 1.260 120 HE ARG 14 HE ARG 14 2.398 5.691 3.457 121 HH11 ARG 14 1HH1 ARG 14 3.849 8.494 1.779 122 HH12 ARG 14 2HH1 ARG 14 4.570 9.145 3.163 123 HH21 ARG 14 1HH2 ARG 14 3.414 6.614 5.404 124 HH22 ARG 14 2HH2 ARG 14 4.310 8.049 5.275 125 H ARG 15 HN ARG 15 1.500 1.705 0.665 126 HA ARG 15 HA ARG 15 1.964 0.594 3.343 127 HB2 ARG 15 2HB ARG 15 1.835 -0.722 0.660 128 HB3 ARG 15 1HB ARG 15 2.580 -1.534 2.050 129 HG2 ARG 15 2HG ARG 15 -0.251 -0.637 1.666 130 HG3 ARG 15 1HG ARG 15 0.323 -2.289 1.532 131 HD2 ARG 15 2HD ARG 15 -0.740 -2.110 3.651 132 HD3 ARG 15 1HD ARG 15 0.990 -2.151 3.966 133 HE ARG 15 HE ARG 15 0.255 0.528 3.842 134 HH11 ARG 15 1HH1 ARG 15 -0.635 -2.233 5.888 135 HH12 ARG 15 2HH1 ARG 15 -0.891 -1.270 7.266 136 HH21 ARG 15 1HH2 ARG 15 -0.086 1.800 5.716 137 HH22 ARG 15 2HH2 ARG 15 -0.565 1.050 7.174 138 H CYS 16 HN CYS 16 4.028 0.271 3.939 139 HA CYS 16 HA CYS 16 6.050 1.225 2.061 140 HB2 CYS 16 2HB CYS 16 6.004 1.471 5.073 141 HB3 CYS 16 1HB CYS 16 7.320 1.995 4.028 142 H ARG 17 HN ARG 17 7.141 -0.391 1.331 143 HA ARG 17 HA ARG 17 7.580 -2.715 3.048 144 HB2 ARG 17 2HB ARG 17 6.676 -3.090 0.734 145 HB3 ARG 17 1HB ARG 17 8.162 -2.411 0.085 146 HG2 ARG 17 2HG ARG 17 9.446 -4.222 1.055 147 HG3 ARG 17 1HG ARG 17 7.990 -4.869 1.812 148 HD2 ARG 17 2HD ARG 17 7.011 -5.134 -0.461 149 HD3 ARG 17 1HD ARG 17 8.573 -4.669 -1.133 150 HE ARG 17 HE ARG 17 9.411 -6.642 0.274 151 HH11 ARG 17 1HH1 ARG 17 6.315 -6.564 -1.414 152 HH12 ARG 17 2HH1 ARG 17 6.185 -8.246 -1.565 153 HH21 ARG 17 1HH2 ARG 17 9.260 -8.936 0.064 154 HH22 ARG 17 2HH2 ARG 17 7.934 -9.653 -0.741 155 H GLY 18 HN GLY 18 9.171 -2.094 4.361 156 HA2 GLY 18 2HA GLY 18 11.402 -1.829 4.913 157 HA3 GLY 18 1HA GLY 18 11.781 -1.625 3.197 Start of MODEL 20 1 H1 LYS 1 HN LYS 1 12.546 0.861 2.144 2 HA LYS 1 HA LYS 1 10.978 2.948 3.434 3 HB2 LYS 1 2HB LYS 1 12.578 4.611 2.591 4 HB3 LYS 1 1HB LYS 1 13.351 3.403 3.596 5 HG2 LYS 1 2HG LYS 1 14.303 2.344 1.649 6 HG3 LYS 1 1HG LYS 1 13.451 3.477 0.589 7 HD2 LYS 1 2HD LYS 1 14.646 5.342 1.652 8 HD3 LYS 1 1HD LYS 1 15.504 4.198 2.678 9 HE2 LYS 1 2HE LYS 1 15.630 4.270 -0.329 10 HE3 LYS 1 1HE LYS 1 16.830 4.983 0.737 11 HZ1 LYS 1 1HZ LYS 1 17.265 2.758 1.631 12 HZ2 LYS 1 2HZ LYS 1 17.544 2.836 -0.022 13 HZ3 LYS 1 3HZ LYS 1 16.155 2.087 0.551 14 H TRP 2 HN TRP 2 10.496 0.979 1.172 15 HA TRP 2 HA TRP 2 9.720 2.838 -0.920 16 HB2 TRP 2 2HB TRP 2 10.734 0.715 -1.641 17 HB3 TRP 2 1HB TRP 2 9.534 -0.185 -0.734 18 HD1 TRP 2 1HD TRP 2 9.132 2.623 -3.385 19 HE1 TRP 2 1HE TRP 2 7.468 1.788 -5.174 20 HE3 TRP 2 3HE TRP 2 8.309 -2.068 -1.585 21 HZ2 TRP 2 2HZ TRP 2 6.032 -0.563 -5.751 22 HZ3 TRP 2 3HZ TRP 2 6.779 -3.558 -2.816 23 HH2 TRP 2 2HH TRP 2 5.669 -2.812 -4.854 24 H CYS 3 HN CYS 3 7.925 3.882 -0.555 25 HA CYS 3 HA CYS 3 5.731 2.511 0.829 26 HB2 CYS 3 2HB CYS 3 6.335 5.466 0.637 27 HB3 CYS 3 1HB CYS 3 4.920 4.774 1.422 28 H PHE 4 HN PHE 4 4.077 2.047 -0.360 29 HA PHE 4 HA PHE 4 3.738 3.465 -2.888 30 HB2 PHE 4 2HB PHE 4 3.326 1.302 -4.015 31 HB3 PHE 4 1HB PHE 4 4.966 1.465 -3.413 32 HD1 PHE 4 1HD PHE 4 5.405 0.347 -1.059 33 HD2 PHE 4 2HD PHE 4 2.155 -0.641 -3.622 34 HE1 PHE 4 1HE PHE 4 5.211 -1.825 0.043 35 HE2 PHE 4 2HE PHE 4 1.951 -2.823 -2.515 36 HZ PHE 4 HZ PHE 4 3.466 -3.428 -0.688 37 H ARG 5 HN ARG 5 1.691 3.118 -3.894 38 HA ARG 5 HA ARG 5 -0.482 3.299 -1.983 39 HB2 ARG 5 2HB ARG 5 -0.392 4.964 -3.735 40 HB3 ARG 5 1HB ARG 5 -0.270 3.723 -4.969 41 HG2 ARG 5 2HG ARG 5 -2.559 2.998 -4.436 42 HG3 ARG 5 1HG ARG 5 -2.674 4.291 -3.243 43 HD2 ARG 5 2HD ARG 5 -2.373 5.956 -4.971 44 HD3 ARG 5 1HD ARG 5 -2.127 4.689 -6.175 45 HE ARG 5 HE ARG 5 -4.585 4.254 -4.957 46 HH11 ARG 5 1HH1 ARG 5 -3.142 6.633 -7.152 47 HH12 ARG 5 2HH1 ARG 5 -4.631 7.064 -7.863 48 HH21 ARG 5 1HH2 ARG 5 -6.617 4.836 -5.989 49 HH22 ARG 5 2HH2 ARG 5 -6.628 6.008 -7.199 50 H VAL 6 HN VAL 6 -1.845 1.632 -1.593 51 HA VAL 6 HA VAL 6 -1.846 -0.596 -3.509 52 HB VAL 6 HB VAL 6 -2.391 -0.882 -0.558 53 HG11 VAL 6 1HG1 VAL 6 -1.980 -3.257 -0.966 54 HG12 VAL 6 2HG1 VAL 6 -1.710 -2.908 -2.672 55 HG13 VAL 6 3HG1 VAL 6 -3.295 -2.619 -1.954 56 HG21 VAL 6 1HG2 VAL 6 0.255 -1.367 -1.925 57 HG22 VAL 6 2HG2 VAL 6 -0.136 -1.815 -0.265 58 HG23 VAL 6 3HG2 VAL 6 -0.090 -0.117 -0.731 59 H CYS 7 HN CYS 7 -3.798 -0.625 -4.439 60 HA CYS 7 HA CYS 7 -6.051 0.189 -2.779 61 HB2 CYS 7 2HB CYS 7 -5.845 0.165 -5.796 62 HB3 CYS 7 1HB CYS 7 -7.262 0.650 -4.867 63 H TYR 8 HN TYR 8 -7.310 -1.267 -2.140 64 HA TYR 8 HA TYR 8 -7.310 -3.889 -3.464 65 HB2 TYR 8 2HB TYR 8 -6.084 -3.569 -1.210 66 HB3 TYR 8 1HB TYR 8 -7.683 -3.358 -0.521 67 HD1 TYR 8 1HD TYR 8 -5.271 -5.691 -1.893 68 HD2 TYR 8 2HD TYR 8 -9.223 -5.288 -0.384 69 HE1 TYR 8 1HE TYR 8 -5.380 -8.103 -1.593 70 HE2 TYR 8 2HE TYR 8 -9.354 -7.716 -0.081 71 HH TYR 8 HH TYR 8 -8.258 -9.754 -0.994 72 H ARG 9 HN ARG 9 -9.210 -3.710 -4.526 73 HA ARG 9 HA ARG 9 -11.398 -3.679 -4.966 74 HB2 ARG 9 2HB ARG 9 -11.731 -3.909 -1.968 75 HB3 ARG 9 1HB ARG 9 -13.052 -4.043 -3.117 76 HG2 ARG 9 2HG ARG 9 -11.960 -6.006 -4.113 77 HG3 ARG 9 1HG ARG 9 -10.669 -5.869 -2.915 78 HD2 ARG 9 2HD ARG 9 -12.277 -7.537 -2.202 79 HD3 ARG 9 1HD ARG 9 -12.323 -6.137 -1.129 80 HE ARG 9 HE ARG 9 -14.230 -6.119 -3.286 81 HH11 ARG 9 1HH1 ARG 9 -13.686 -6.950 0.129 82 HH12 ARG 9 2HH1 ARG 9 -15.352 -7.016 0.499 83 HH21 ARG 9 1HH2 ARG 9 -16.506 -6.192 -2.720 84 HH22 ARG 9 2HH2 ARG 9 -16.984 -6.573 -1.137 85 H GLY 10 HN GLY 10 -9.913 -1.204 -4.362 86 HA2 GLY 10 2HA GLY 10 -10.849 0.936 -4.968 87 HA3 GLY 10 1HA GLY 10 -12.259 0.531 -3.998 88 H ILE 11 HN ILE 11 -10.327 -0.621 -1.971 89 HA ILE 11 HA ILE 11 -10.117 1.788 -0.388 90 HB ILE 11 HB ILE 11 -9.178 -1.014 0.277 91 HG12 ILE 11 2HG1 ILE 11 -11.852 0.268 0.885 92 HG13 ILE 11 1HG1 ILE 11 -11.575 -0.994 -0.305 93 HG21 ILE 11 1HG2 ILE 11 -8.245 0.741 1.703 94 HG22 ILE 11 2HG2 ILE 11 -9.374 -0.269 2.607 95 HG23 ILE 11 3HG2 ILE 11 -9.870 1.330 2.054 96 HD11 ILE 11 1HD1 ILE 11 -11.150 -1.249 2.655 97 HD12 ILE 11 2HD1 ILE 11 -10.920 -2.527 1.460 98 HD13 ILE 11 3HD1 ILE 11 -12.532 -1.868 1.755 99 H CYS 12 HN CYS 12 -8.356 3.056 -0.706 100 HA CYS 12 HA CYS 12 -5.879 1.696 -1.443 101 HB2 CYS 12 2HB CYS 12 -6.500 4.626 -1.735 102 HB3 CYS 12 1HB CYS 12 -5.084 3.784 -2.312 103 H TYR 13 HN TYR 13 -4.462 1.485 -0.048 104 HA TYR 13 HA TYR 13 -4.172 3.434 2.099 105 HB2 TYR 13 2HB TYR 13 -3.427 1.461 3.566 106 HB3 TYR 13 1HB TYR 13 -5.148 1.589 3.247 107 HD1 TYR 13 1HD TYR 13 -6.288 -0.092 1.955 108 HD2 TYR 13 2HD TYR 13 -2.083 -0.327 2.524 109 HE1 TYR 13 1HE TYR 13 -6.323 -2.390 1.139 110 HE2 TYR 13 2HE TYR 13 -2.094 -2.617 1.722 111 HH TYR 13 HH TYR 13 -4.702 -3.976 0.081 112 H ARG 14 HN ARG 14 -2.001 3.660 2.857 113 HA ARG 14 HA ARG 14 -0.132 3.116 0.672 114 HB2 ARG 14 2HB ARG 14 -0.557 5.488 1.415 115 HB3 ARG 14 1HB ARG 14 0.156 5.064 2.959 116 HG2 ARG 14 2HG ARG 14 2.273 4.535 1.847 117 HG3 ARG 14 1HG ARG 14 1.562 4.976 0.295 118 HD2 ARG 14 2HD ARG 14 1.986 6.785 2.670 119 HD3 ARG 14 1HD ARG 14 2.876 6.825 1.150 120 HE ARG 14 HE ARG 14 0.058 7.141 0.814 121 HH11 ARG 14 1HH1 ARG 14 3.069 8.941 1.386 122 HH12 ARG 14 2HH1 ARG 14 2.372 10.453 0.994 123 HH21 ARG 14 1HH2 ARG 14 -0.857 9.221 0.342 124 HH22 ARG 14 2HH2 ARG 14 0.131 10.603 0.399 125 H ARG 15 HN ARG 15 1.427 1.688 1.010 126 HA ARG 15 HA ARG 15 1.979 0.922 3.791 127 HB2 ARG 15 2HB ARG 15 1.741 -0.816 1.356 128 HB3 ARG 15 1HB ARG 15 2.505 -1.396 2.855 129 HG2 ARG 15 2HG ARG 15 -0.286 -0.560 2.270 130 HG3 ARG 15 1HG ARG 15 0.269 -2.178 2.697 131 HD2 ARG 15 2HD ARG 15 0.185 0.257 4.494 132 HD3 ARG 15 1HD ARG 15 -0.809 -1.187 4.622 133 HE ARG 15 HE ARG 15 1.770 -2.080 4.765 134 HH11 ARG 15 1HH1 ARG 15 -0.182 0.179 6.625 135 HH12 ARG 15 2HH1 ARG 15 0.597 -0.132 8.110 136 HH21 ARG 15 1HH2 ARG 15 2.864 -2.502 6.742 137 HH22 ARG 15 2HH2 ARG 15 2.395 -1.705 8.178 138 H CYS 16 HN CYS 16 4.124 0.198 4.255 139 HA CYS 16 HA CYS 16 6.058 1.175 2.307 140 HB2 CYS 16 2HB CYS 16 6.145 1.630 5.297 141 HB3 CYS 16 1HB CYS 16 7.427 2.035 4.170 142 H ARG 17 HN ARG 17 7.221 -0.347 1.669 143 HA ARG 17 HA ARG 17 7.917 -2.596 3.424 144 HB2 ARG 17 2HB ARG 17 6.694 -3.106 1.300 145 HB3 ARG 17 1HB ARG 17 7.984 -2.323 0.410 146 HG2 ARG 17 2HG ARG 17 9.539 -4.023 1.131 147 HG3 ARG 17 1HG ARG 17 8.271 -4.808 2.084 148 HD2 ARG 17 2HD ARG 17 6.970 -5.107 0.002 149 HD3 ARG 17 1HD ARG 17 8.312 -4.410 -0.904 150 HE ARG 17 HE ARG 17 9.412 -6.447 0.526 151 HH11 ARG 17 1HH1 ARG 17 6.755 -6.273 -1.838 152 HH12 ARG 17 2HH1 ARG 17 7.022 -7.840 -2.425 153 HH21 ARG 17 1HH2 ARG 17 9.754 -8.538 -0.278 154 HH22 ARG 17 2HH2 ARG 17 8.804 -9.188 -1.527 155 H GLY 18 HN GLY 18 9.765 -1.862 4.414 156 HA2 GLY 18 2HA GLY 18 11.977 -1.201 4.585 157 HA3 GLY 18 1HA GLY 18 12.077 -1.178 2.816
Contact the webmaster for help, if required. Saturday, May 18, 2024 10:09:57 PM GMT (wattos1)