NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652753 | 6x8r | 30758 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1HT ARG 1 2.331 2.477 8.276 2 H2 ARG 1 2HT ARG 1 1.164 1.802 9.300 3 H3 ARG 1 3HT ARG 1 1.167 3.462 8.955 4 HA ARG 1 HA ARG 1 0.767 1.428 6.908 5 HB2 ARG 1 2HB ARG 1 -1.597 2.001 6.965 6 HB3 ARG 1 1HB ARG 1 -1.092 1.343 8.508 7 HG2 ARG 1 2HG ARG 1 -0.877 3.799 9.233 8 HG3 ARG 1 1HG ARG 1 -1.837 4.144 7.797 9 HD2 ARG 1 2HD ARG 1 -2.582 2.466 10.174 10 HD3 ARG 1 1HD ARG 1 -3.313 3.973 9.636 11 HE ARG 1 HE ARG 1 -3.509 1.949 7.663 12 HH11 ARG 1 1HH1 ARG 1 -4.933 3.175 10.649 13 HH12 ARG 1 2HH1 ARG 1 -6.405 2.343 10.484 14 HH21 ARG 1 1HH2 ARG 1 -5.575 0.796 7.406 15 HH22 ARG 1 2HH2 ARG 1 -6.788 0.981 8.585 16 H GLY 2 HN GLY 2 1.853 2.311 5.262 17 HA2 GLY 2 2HA GLY 2 1.297 5.130 4.761 18 HA3 GLY 2 1HA GLY 2 2.753 4.290 4.265 19 H CYS 3 HN CYS 3 -0.609 3.598 4.000 20 HA CYS 3 HA CYS 3 -0.181 2.889 1.201 21 HB2 CYS 3 2HB CYS 3 -2.568 2.362 2.950 22 HB3 CYS 3 1HB CYS 3 -2.291 1.727 1.330 23 H CYS 4 HN CYS 4 -0.762 5.504 2.678 24 HA CYS 4 HA CYS 4 -2.088 6.553 0.293 25 HB2 CYS 4 2HB CYS 4 -2.213 7.822 3.048 26 HB3 CYS 4 1HB CYS 4 -2.991 8.424 1.595 27 H ASN 5 HN ASN 5 0.180 7.044 2.887 28 HA ASN 5 HA ASN 5 2.271 7.809 1.137 29 HB2 ASN 5 2HB ASN 5 0.977 9.932 1.376 30 HB3 ASN 5 1HB ASN 5 1.228 9.851 3.109 31 HD21 ASN 5 1HD2 ASN 5 2.704 10.527 0.071 32 HD22 ASN 5 2HD2 ASN 5 4.191 11.152 0.686 33 H GLY 6 HN GLY 6 3.816 6.552 2.110 34 HA2 GLY 6 2HA GLY 6 5.096 7.027 4.404 35 HA3 GLY 6 1HA GLY 6 3.656 6.235 5.014 36 H ARG 7 HN ARG 7 4.091 4.627 2.236 37 HA ARG 7 HA ARG 7 6.002 2.813 3.457 38 HB2 ARG 7 2HB ARG 7 3.651 2.302 1.689 39 HB3 ARG 7 1HB ARG 7 4.996 1.178 1.709 40 HG2 ARG 7 2HG ARG 7 3.229 1.942 4.043 41 HG3 ARG 7 1HG ARG 7 3.177 0.422 3.157 42 HD2 ARG 7 2HD ARG 7 4.391 -0.053 5.154 43 HD3 ARG 7 1HD ARG 7 5.588 0.081 3.884 44 HE ARG 7 HE ARG 7 5.243 2.611 5.017 45 HH11 ARG 7 1HH1 ARG 7 6.709 -0.484 5.897 46 HH12 ARG 7 2HH1 ARG 7 7.833 0.210 6.959 47 HH21 ARG 7 1HH2 ARG 7 6.763 3.541 6.414 48 HH22 ARG 7 2HH2 ARG 7 7.874 2.568 7.263 49 H GLY 8 HN GLY 8 7.397 1.631 1.829 50 HA2 GLY 8 2HA GLY 8 8.506 3.505 -0.023 51 HA3 GLY 8 1HA GLY 8 9.037 1.847 0.237 52 H GLY 9 HN GLY 9 6.199 3.506 -0.986 53 HA2 GLY 9 2HA GLY 9 5.558 3.360 -3.295 54 HA3 GLY 9 1HA GLY 9 6.205 1.726 -3.326 55 H CYS 10 HN CYS 10 3.498 3.026 -3.712 56 HA CYS 10 HA CYS 10 1.827 1.884 -1.677 57 HB2 CYS 10 2HB CYS 10 1.085 2.898 -4.431 58 HB3 CYS 10 1HB CYS 10 -0.047 2.495 -3.148 59 H SER 11 HN SER 11 3.435 0.660 -4.369 60 HA SER 11 HA SER 11 1.579 -1.516 -4.786 61 HB2 SER 11 2HB SER 11 2.765 -0.320 -6.692 62 HB3 SER 11 1HB SER 11 4.261 -1.054 -6.117 63 HG SER 11 HG SER 11 3.657 -2.538 -7.475 64 H SER 12 HN SER 12 3.617 -0.913 -2.392 65 HA SER 12 HA SER 12 5.132 -3.350 -2.271 66 HB2 SER 12 2HB SER 12 5.577 -1.147 -0.944 67 HB3 SER 12 1HB SER 12 4.234 -1.703 0.069 68 HG SER 12 HG SER 12 6.804 -2.648 -0.139 69 H ARG 13 HN ARG 13 4.619 -5.022 -0.685 70 HA ARG 13 HA ARG 13 2.063 -6.082 -1.258 71 HB2 ARG 13 2HB ARG 13 3.914 -7.587 -0.808 72 HB3 ARG 13 1HB ARG 13 4.026 -7.010 0.846 73 HG2 ARG 13 2HG ARG 13 1.838 -7.931 1.347 74 HG3 ARG 13 1HG ARG 13 1.655 -8.467 -0.321 75 HD2 ARG 13 2HD ARG 13 2.330 -10.314 1.109 76 HD3 ARG 13 1HD ARG 13 3.605 -9.924 -0.047 77 HE ARG 13 HE ARG 13 3.978 -8.537 2.372 78 HH11 ARG 13 1HH1 ARG 13 4.265 -11.782 1.025 79 HH12 ARG 13 2HH1 ARG 13 5.577 -12.247 2.011 80 HH21 ARG 13 1HH2 ARG 13 5.779 -9.179 3.756 81 HH22 ARG 13 2HH2 ARG 13 6.428 -10.743 3.609 82 H TRP 14 HN TRP 14 3.239 -4.437 1.535 83 HA TRP 14 HA TRP 14 1.087 -4.839 3.312 84 HB2 TRP 14 2HB TRP 14 3.472 -3.579 3.518 85 HB3 TRP 14 1HB TRP 14 2.463 -2.178 3.199 86 HD1 TRP 14 1HD TRP 14 3.553 -4.475 5.896 87 HE1 TRP 14 1HE TRP 14 2.344 -3.917 8.121 88 HE3 TRP 14 3HE TRP 14 0.063 -1.226 4.137 89 HZ2 TRP 14 2HZ TRP 14 0.215 -2.318 8.983 90 HZ3 TRP 14 3HZ TRP 14 -1.503 -0.228 5.710 91 HH2 TRP 14 2HH TRP 14 -1.430 -0.762 8.094 92 H CYS 15 HN CYS 15 1.562 -2.324 0.898 93 HA CYS 15 HA CYS 15 -1.040 -1.285 1.450 94 HB2 CYS 15 2HB CYS 15 1.227 -0.534 -0.236 95 HB3 CYS 15 1HB CYS 15 -0.308 0.347 -0.259 96 H ARG 16 HN ARG 16 0.354 -3.409 -0.723 97 HA ARG 16 HA ARG 16 -1.624 -3.220 -2.765 98 HB2 ARG 16 2HB ARG 16 0.517 -4.348 -3.173 99 HB3 ARG 16 1HB ARG 16 0.157 -5.521 -1.922 100 HG2 ARG 16 2HG ARG 16 -0.121 -6.482 -4.138 101 HG3 ARG 16 1HG ARG 16 -1.657 -6.429 -3.277 102 HD2 ARG 16 2HD ARG 16 -1.915 -5.773 -5.609 103 HD3 ARG 16 1HD ARG 16 -2.298 -4.434 -4.529 104 HE ARG 16 HE ARG 16 0.411 -4.499 -5.497 105 HH11 ARG 16 1HH1 ARG 16 -2.860 -3.391 -6.196 106 HH12 ARG 16 2HH1 ARG 16 -2.395 -2.075 -7.159 107 HH21 ARG 16 1HH2 ARG 16 1.095 -2.666 -6.876 108 HH22 ARG 16 2HH2 ARG 16 -0.085 -1.651 -7.535 109 H ASP 17 HN ASP 17 -1.374 -4.782 0.310 110 HA ASP 17 HA ASP 17 -3.836 -6.300 -0.130 111 HB2 ASP 17 2HB ASP 17 -1.632 -7.275 0.871 112 HB3 ASP 17 1HB ASP 17 -2.145 -6.458 2.326 113 H HIS 18 HN HIS 18 -2.427 -3.986 2.199 114 HA HIS 18 HA HIS 18 -4.988 -3.753 3.621 115 HB2 HIS 18 2HB HIS 18 -2.316 -2.528 4.370 116 HB3 HIS 18 1HB HIS 18 -3.689 -2.773 5.425 117 HD1 HIS 18 1HD HIS 18 -4.143 -5.809 4.984 118 HD2 HIS 18 2HD HIS 18 -0.424 -4.073 5.422 119 HE1 HIS 18 1HE HIS 18 -2.620 -7.648 5.771 120 H ALA 19 HN ALA 19 -4.551 -2.604 1.023 121 HA ALA 19 HA ALA 19 -3.786 0.068 0.911 122 HB1 ALA 19 1HB ALA 19 -5.815 -1.306 -0.818 123 HB2 ALA 19 2HB ALA 19 -4.060 -1.355 -1.024 124 HB3 ALA 19 3HB ALA 19 -4.925 0.174 -1.184 125 H ARG 20 HN ARG 20 -4.664 1.872 1.529 126 HA ARG 20 HA ARG 20 -7.561 1.995 2.026 127 HB2 ARG 20 2HB ARG 20 -5.475 3.968 2.994 128 HB3 ARG 20 1HB ARG 20 -7.186 3.977 3.391 129 HG2 ARG 20 2HG ARG 20 -6.857 1.768 4.499 130 HG3 ARG 20 1HG ARG 20 -5.128 1.973 4.224 131 HD2 ARG 20 2HD ARG 20 -5.539 2.729 6.440 132 HD3 ARG 20 1HD ARG 20 -5.300 4.162 5.442 133 HE ARG 20 HE ARG 20 -8.034 3.581 5.553 134 HH11 ARG 20 1HH1 ARG 20 -5.453 4.863 7.626 135 HH12 ARG 20 2HH1 ARG 20 -6.509 5.646 8.695 136 HH21 ARG 20 1HH2 ARG 20 -9.478 4.670 7.042 137 HH22 ARG 20 2HH2 ARG 20 -8.853 5.552 8.351 138 H CYS 21 HN CYS 21 -4.907 4.103 0.878 139 HA CYS 21 HA CYS 21 -6.788 5.312 -1.009 140 HB2 CYS 21 2HB CYS 21 -3.973 6.180 -0.318 141 HB3 CYS 21 1HB CYS 21 -5.174 7.106 -1.208 142 H CYS 22 HN CYS 22 -3.348 4.176 -0.939 143 HA CYS 22 HA CYS 22 -3.724 3.108 -3.597 144 HB2 CYS 22 2HB CYS 22 -1.399 3.845 -4.064 145 HB3 CYS 22 1HB CYS 22 -2.514 5.166 -3.706 146 HN1 NH2 23 1H CYS 22 -3.637 0.979 -3.365 147 HN2 NH2 23 2H CYS 22 -2.611 0.103 -2.286 Start of MODEL 2 1 H1 ARG 1 1HT ARG 1 -1.812 3.428 7.984 2 H2 ARG 1 2HT ARG 1 -1.512 2.003 8.792 3 H3 ARG 1 3HT ARG 1 -1.814 2.004 7.112 4 HA ARG 1 HA ARG 1 0.456 3.330 8.436 5 HB2 ARG 1 2HB ARG 1 0.429 0.723 8.331 6 HB3 ARG 1 1HB ARG 1 0.555 0.931 6.595 7 HG2 ARG 1 2HG ARG 1 2.715 1.837 6.727 8 HG3 ARG 1 1HG ARG 1 2.573 2.179 8.451 9 HD2 ARG 1 2HD ARG 1 2.725 -0.548 7.174 10 HD3 ARG 1 1HD ARG 1 4.061 0.292 7.964 11 HE ARG 1 HE ARG 1 1.704 -0.094 9.589 12 HH11 ARG 1 1HH1 ARG 1 4.870 -1.391 8.729 13 HH12 ARG 1 2HH1 ARG 1 4.956 -2.435 10.064 14 HH21 ARG 1 1HH2 ARG 1 1.805 -1.533 11.395 15 HH22 ARG 1 2HH2 ARG 1 3.158 -2.542 11.617 16 H GLY 2 HN GLY 2 2.159 3.363 6.193 17 HA2 GLY 2 2HA GLY 2 1.111 5.576 4.819 18 HA3 GLY 2 1HA GLY 2 2.635 4.766 4.593 19 H CYS 3 HN CYS 3 -0.602 3.854 4.174 20 HA CYS 3 HA CYS 3 0.027 2.816 1.498 21 HB2 CYS 3 2HB CYS 3 -2.339 2.321 3.265 22 HB3 CYS 3 1HB CYS 3 -2.052 1.533 1.709 23 H CYS 4 HN CYS 4 -0.728 5.528 2.591 24 HA CYS 4 HA CYS 4 -2.070 6.289 0.091 25 HB2 CYS 4 2HB CYS 4 -2.121 7.893 2.681 26 HB3 CYS 4 1HB CYS 4 -2.925 8.314 1.191 27 H ASN 5 HN ASN 5 0.181 7.082 2.632 28 HA ASN 5 HA ASN 5 2.333 7.696 0.899 29 HB2 ASN 5 2HB ASN 5 1.028 9.840 0.923 30 HB3 ASN 5 1HB ASN 5 1.169 9.878 2.665 31 HD21 ASN 5 1HD2 ASN 5 2.102 11.885 0.776 32 HD22 ASN 5 2HD2 ASN 5 3.798 12.029 1.020 33 H GLY 6 HN GLY 6 3.899 6.709 2.019 34 HA2 GLY 6 2HA GLY 6 5.020 7.310 4.353 35 HA3 GLY 6 1HA GLY 6 3.649 6.394 4.930 36 H ARG 7 HN ARG 7 3.712 4.412 2.758 37 HA ARG 7 HA ARG 7 5.967 2.964 3.743 38 HB2 ARG 7 2HB ARG 7 3.563 2.252 2.180 39 HB3 ARG 7 1HB ARG 7 4.946 1.165 2.064 40 HG2 ARG 7 2HG ARG 7 3.499 1.958 4.607 41 HG3 ARG 7 1HG ARG 7 3.199 0.474 3.706 42 HD2 ARG 7 2HD ARG 7 4.630 -0.012 5.585 43 HD3 ARG 7 1HD ARG 7 5.549 -0.227 4.130 44 HE ARG 7 HE ARG 7 5.707 2.399 5.294 45 HH11 ARG 7 1HH1 ARG 7 7.236 -0.781 5.150 46 HH12 ARG 7 2HH1 ARG 7 8.759 -0.282 5.703 47 HH21 ARG 7 1HH2 ARG 7 7.892 3.156 6.030 48 HH22 ARG 7 2HH2 ARG 7 9.137 2.014 6.171 49 H GLY 8 HN GLY 8 7.140 1.559 1.945 50 HA2 GLY 8 2HA GLY 8 8.510 3.535 0.349 51 HA3 GLY 8 1HA GLY 8 8.950 1.844 0.546 52 H GLY 9 HN GLY 9 6.269 3.669 -0.733 53 HA2 GLY 9 2HA GLY 9 5.580 3.760 -2.973 54 HA3 GLY 9 1HA GLY 9 6.524 2.323 -3.312 55 H CYS 10 HN CYS 10 3.641 3.063 -3.680 56 HA CYS 10 HA CYS 10 2.180 1.335 -1.931 57 HB2 CYS 10 2HB CYS 10 1.328 2.649 -4.506 58 HB3 CYS 10 1HB CYS 10 0.255 1.888 -3.333 59 H SER 11 HN SER 11 4.097 0.757 -4.608 60 HA SER 11 HA SER 11 2.736 -1.389 -5.843 61 HB2 SER 11 2HB SER 11 4.654 -0.191 -6.890 62 HB3 SER 11 1HB SER 11 5.726 -0.871 -5.672 63 HG SER 11 HG SER 11 4.945 -2.986 -6.524 64 H SER 12 HN SER 12 4.498 -1.099 -2.875 65 HA SER 12 HA SER 12 5.310 -3.667 -2.364 66 HB2 SER 12 2HB SER 12 4.292 -1.563 -0.466 67 HB3 SER 12 1HB SER 12 5.438 -2.868 -0.140 68 HG SER 12 HG SER 12 5.876 -0.424 -1.227 69 H ARG 13 HN ARG 13 4.222 -5.433 -1.720 70 HA ARG 13 HA ARG 13 1.483 -5.709 -2.160 71 HB2 ARG 13 2HB ARG 13 3.334 -7.538 -0.632 72 HB3 ARG 13 1HB ARG 13 1.701 -7.956 -1.120 73 HG2 ARG 13 2HG ARG 13 4.043 -7.376 -2.934 74 HG3 ARG 13 1HG ARG 13 3.282 -8.942 -2.651 75 HD2 ARG 13 2HD ARG 13 2.096 -6.539 -4.046 76 HD3 ARG 13 1HD ARG 13 2.487 -8.105 -4.750 77 HE ARG 13 HE ARG 13 0.730 -8.765 -2.842 78 HH11 ARG 13 1HH1 ARG 13 0.558 -6.423 -5.515 79 HH12 ARG 13 2HH1 ARG 13 -1.144 -6.433 -5.562 80 HH21 ARG 13 1HH2 ARG 13 -1.558 -8.714 -2.904 81 HH22 ARG 13 2HH2 ARG 13 -2.396 -7.754 -4.027 82 H TRP 14 HN TRP 14 3.159 -4.895 0.731 83 HA TRP 14 HA TRP 14 1.308 -5.375 2.790 84 HB2 TRP 14 2HB TRP 14 3.731 -4.250 2.781 85 HB3 TRP 14 1HB TRP 14 2.820 -2.761 2.608 86 HD1 TRP 14 1HD TRP 14 4.251 -4.943 5.092 87 HE1 TRP 14 1HE TRP 14 3.309 -4.523 7.475 88 HE3 TRP 14 3HE TRP 14 0.362 -1.887 3.904 89 HZ2 TRP 14 2HZ TRP 14 1.236 -3.069 8.653 90 HZ3 TRP 14 3HZ TRP 14 -1.028 -1.006 5.708 91 HH2 TRP 14 2HH TRP 14 -0.598 -1.582 8.040 92 H CYS 15 HN CYS 15 1.644 -2.411 0.952 93 HA CYS 15 HA CYS 15 -0.795 -1.400 1.938 94 HB2 CYS 15 2HB CYS 15 1.273 -0.578 0.085 95 HB3 CYS 15 1HB CYS 15 -0.213 0.363 0.201 96 H ARG 16 HN ARG 16 -0.000 -3.347 -0.579 97 HA ARG 16 HA ARG 16 -2.302 -2.636 -2.183 98 HB2 ARG 16 2HB ARG 16 -0.645 -5.156 -2.267 99 HB3 ARG 16 1HB ARG 16 -1.909 -4.748 -3.414 100 HG2 ARG 16 2HG ARG 16 0.650 -3.226 -2.975 101 HG3 ARG 16 1HG ARG 16 0.271 -4.294 -4.328 102 HD2 ARG 16 2HD ARG 16 -1.150 -1.717 -3.637 103 HD3 ARG 16 1HD ARG 16 -0.006 -1.952 -4.949 104 HE ARG 16 HE ARG 16 -1.970 -3.816 -5.358 105 HH11 ARG 16 1HH1 ARG 16 -1.820 -0.294 -5.168 106 HH12 ARG 16 2HH1 ARG 16 -3.157 -0.042 -6.186 107 HH21 ARG 16 1HH2 ARG 16 -3.751 -3.499 -6.736 108 HH22 ARG 16 2HH2 ARG 16 -4.299 -1.936 -7.126 109 H ASP 17 HN ASP 17 -1.614 -4.909 0.365 110 HA ASP 17 HA ASP 17 -4.247 -6.162 0.132 111 HB2 ASP 17 2HB ASP 17 -2.034 -7.420 0.714 112 HB3 ASP 17 1HB ASP 17 -2.210 -6.656 2.261 113 H HIS 18 HN HIS 18 -2.448 -4.059 2.266 114 HA HIS 18 HA HIS 18 -4.770 -3.804 4.063 115 HB2 HIS 18 2HB HIS 18 -1.940 -2.859 4.588 116 HB3 HIS 18 1HB HIS 18 -3.200 -3.150 5.768 117 HD1 HIS 18 1HD HIS 18 -3.809 -6.192 4.838 118 HD2 HIS 18 2HD HIS 18 -0.066 -4.550 5.496 119 HE1 HIS 18 1HE HIS 18 -2.305 -8.111 5.356 120 H ALA 19 HN ALA 19 -4.756 -2.630 1.593 121 HA ALA 19 HA ALA 19 -3.607 -0.103 1.325 122 HB1 ALA 19 1HB ALA 19 -5.025 0.189 -0.593 123 HB2 ALA 19 2HB ALA 19 -6.049 -1.149 -0.069 124 HB3 ALA 19 3HB ALA 19 -4.380 -1.453 -0.553 125 H ARG 20 HN ARG 20 -4.216 1.839 1.672 126 HA ARG 20 HA ARG 20 -6.791 2.356 2.969 127 HB2 ARG 20 2HB ARG 20 -4.227 3.955 3.029 128 HB3 ARG 20 1HB ARG 20 -5.741 4.512 3.708 129 HG2 ARG 20 2HG ARG 20 -4.149 2.120 4.603 130 HG3 ARG 20 1HG ARG 20 -4.282 3.664 5.445 131 HD2 ARG 20 2HD ARG 20 -6.459 1.623 4.976 132 HD3 ARG 20 1HD ARG 20 -5.744 2.095 6.513 133 HE ARG 20 HE ARG 20 -7.028 4.228 5.043 134 HH11 ARG 20 1HH1 ARG 20 -7.366 1.848 7.641 135 HH12 ARG 20 2HH1 ARG 20 -8.792 2.542 8.250 136 HH21 ARG 20 1HH2 ARG 20 -8.943 5.143 5.870 137 HH22 ARG 20 2HH2 ARG 20 -9.715 4.470 7.244 138 H CYS 21 HN CYS 21 -4.448 3.954 0.758 139 HA CYS 21 HA CYS 21 -6.772 4.995 -0.696 140 HB2 CYS 21 2HB CYS 21 -4.012 6.222 -0.516 141 HB3 CYS 21 1HB CYS 21 -5.409 6.909 -1.334 142 H CYS 22 HN CYS 22 -3.299 4.129 -1.206 143 HA CYS 22 HA CYS 22 -3.949 3.560 -3.970 144 HB2 CYS 22 2HB CYS 22 -1.396 3.319 -4.114 145 HB3 CYS 22 1HB CYS 22 -2.040 4.921 -3.777 146 HN1 NH2 23 1H CYS 22 -5.202 1.693 -3.359 147 HN2 NH2 23 2H CYS 22 -4.399 0.179 -3.126 Start of MODEL 3 1 H1 ARG 1 1HT ARG 1 2.104 2.605 8.070 2 H2 ARG 1 2HT ARG 1 1.072 1.901 9.182 3 H3 ARG 1 3HT ARG 1 0.946 3.547 8.827 4 HA ARG 1 HA ARG 1 0.545 1.361 6.901 5 HB2 ARG 1 2HB ARG 1 -1.887 1.972 6.959 6 HB3 ARG 1 1HB ARG 1 -1.276 1.153 8.377 7 HG2 ARG 1 2HG ARG 1 -1.199 3.306 9.559 8 HG3 ARG 1 1HG ARG 1 -1.871 4.095 8.123 9 HD2 ARG 1 2HD ARG 1 -3.580 3.533 9.831 10 HD3 ARG 1 1HD ARG 1 -3.864 2.753 8.271 11 HE ARG 1 HE ARG 1 -2.354 1.241 10.209 12 HH11 ARG 1 1HH1 ARG 1 -5.580 1.881 8.918 13 HH12 ARG 1 2HH1 ARG 1 -6.198 0.343 9.293 14 HH21 ARG 1 1HH2 ARG 1 -3.217 -0.890 10.744 15 HH22 ARG 1 2HH2 ARG 1 -4.815 -1.275 10.353 16 H GLY 2 HN GLY 2 2.132 2.885 5.833 17 HA2 GLY 2 2HA GLY 2 1.161 5.419 4.883 18 HA3 GLY 2 1HA GLY 2 2.680 4.654 4.540 19 H CYS 3 HN CYS 3 -0.578 3.740 3.976 20 HA CYS 3 HA CYS 3 0.145 3.062 1.210 21 HB2 CYS 3 2HB CYS 3 -2.395 2.445 2.703 22 HB3 CYS 3 1HB CYS 3 -2.014 1.930 1.066 23 H CYS 4 HN CYS 4 -0.630 5.652 2.587 24 HA CYS 4 HA CYS 4 -1.930 6.677 0.169 25 HB2 CYS 4 2HB CYS 4 -2.046 8.097 2.850 26 HB3 CYS 4 1HB CYS 4 -3.074 8.336 1.449 27 H ASN 5 HN ASN 5 0.336 7.033 2.786 28 HA ASN 5 HA ASN 5 2.459 7.997 1.176 29 HB2 ASN 5 2HB ASN 5 1.116 10.058 1.548 30 HB3 ASN 5 1HB ASN 5 1.267 9.812 3.277 31 HD21 ASN 5 1HD2 ASN 5 3.261 10.142 4.281 32 HD22 ASN 5 2HD2 ASN 5 4.550 10.994 3.512 33 H GLY 6 HN GLY 6 3.994 6.625 2.098 34 HA2 GLY 6 2HA GLY 6 5.272 7.068 4.386 35 HA3 GLY 6 1HA GLY 6 3.877 6.214 4.999 36 H ARG 7 HN ARG 7 3.901 4.392 2.518 37 HA ARG 7 HA ARG 7 5.969 2.623 3.523 38 HB2 ARG 7 2HB ARG 7 3.778 2.272 1.470 39 HB3 ARG 7 1HB ARG 7 4.978 1.046 1.802 40 HG2 ARG 7 2HG ARG 7 2.995 2.131 3.803 41 HG3 ARG 7 1HG ARG 7 2.806 0.631 2.904 42 HD2 ARG 7 2HD ARG 7 4.973 1.249 4.927 43 HD3 ARG 7 1HD ARG 7 3.582 0.191 5.156 44 HE ARG 7 HE ARG 7 5.308 -0.550 2.979 45 HH11 ARG 7 1HH1 ARG 7 4.591 -0.954 6.416 46 HH12 ARG 7 2HH1 ARG 7 5.427 -2.434 6.559 47 HH21 ARG 7 1HH2 ARG 7 6.466 -2.577 3.180 48 HH22 ARG 7 2HH2 ARG 7 6.533 -3.370 4.686 49 H GLY 8 HN GLY 8 6.992 1.329 1.460 50 HA2 GLY 8 2HA GLY 8 8.515 3.354 0.074 51 HA3 GLY 8 1HA GLY 8 8.758 1.613 -0.015 52 H GLY 9 HN GLY 9 6.023 3.707 -0.720 53 HA2 GLY 9 2HA GLY 9 5.161 4.180 -2.883 54 HA3 GLY 9 1HA GLY 9 6.034 2.775 -3.494 55 H CYS 10 HN CYS 10 3.495 2.954 -4.231 56 HA CYS 10 HA CYS 10 1.696 1.621 -2.400 57 HB2 CYS 10 2HB CYS 10 1.380 2.171 -5.350 58 HB3 CYS 10 1HB CYS 10 0.116 1.653 -4.253 59 H SER 11 HN SER 11 4.170 0.634 -4.491 60 HA SER 11 HA SER 11 3.232 -1.688 -5.595 61 HB2 SER 11 2HB SER 11 5.999 -0.832 -4.838 62 HB3 SER 11 1HB SER 11 5.474 -1.835 -6.191 63 HG SER 11 HG SER 11 4.857 -0.150 -7.273 64 H SER 12 HN SER 12 4.053 -0.894 -2.320 65 HA SER 12 HA SER 12 5.353 -3.210 -1.477 66 HB2 SER 12 2HB SER 12 4.669 -2.232 0.736 67 HB3 SER 12 1HB SER 12 5.602 -1.153 -0.309 68 HG SER 12 HG SER 12 3.906 0.146 -0.446 69 H ARG 13 HN ARG 13 4.498 -5.064 -0.537 70 HA ARG 13 HA ARG 13 1.964 -5.928 -1.344 71 HB2 ARG 13 2HB ARG 13 3.784 -7.489 -0.877 72 HB3 ARG 13 1HB ARG 13 3.723 -7.077 0.828 73 HG2 ARG 13 2HG ARG 13 1.596 -8.108 1.095 74 HG3 ARG 13 1HG ARG 13 1.397 -8.293 -0.647 75 HD2 ARG 13 2HD ARG 13 2.003 -10.407 0.436 76 HD3 ARG 13 1HD ARG 13 3.228 -9.882 -0.711 77 HE ARG 13 HE ARG 13 3.772 -9.051 1.973 78 HH11 ARG 13 1HH1 ARG 13 4.021 -11.795 -0.227 79 HH12 ARG 13 2HH1 ARG 13 5.379 -12.470 0.534 80 HH21 ARG 13 1HH2 ARG 13 5.629 -9.967 3.026 81 HH22 ARG 13 2HH2 ARG 13 6.313 -11.415 2.432 82 H TRP 14 HN TRP 14 2.973 -4.366 1.548 83 HA TRP 14 HA TRP 14 0.767 -4.813 3.249 84 HB2 TRP 14 2HB TRP 14 3.096 -3.485 3.563 85 HB3 TRP 14 1HB TRP 14 2.085 -2.118 3.136 86 HD1 TRP 14 1HD TRP 14 3.160 -4.177 5.984 87 HE1 TRP 14 1HE TRP 14 1.837 -3.583 8.126 88 HE3 TRP 14 3HE TRP 14 -0.510 -1.308 3.922 89 HZ2 TRP 14 2HZ TRP 14 -0.424 -2.110 8.826 90 HZ3 TRP 14 3HZ TRP 14 -2.208 -0.344 5.392 91 HH2 TRP 14 2HH TRP 14 -2.167 -0.740 7.802 92 H CYS 15 HN CYS 15 1.370 -2.319 0.859 93 HA CYS 15 HA CYS 15 -1.192 -1.162 1.221 94 HB2 CYS 15 2HB CYS 15 1.092 -0.733 -0.558 95 HB3 CYS 15 1HB CYS 15 -0.377 0.261 -0.589 96 H ARG 16 HN ARG 16 0.085 -3.618 -0.673 97 HA ARG 16 HA ARG 16 -1.888 -3.375 -2.749 98 HB2 ARG 16 2HB ARG 16 -0.408 -5.867 -1.907 99 HB3 ARG 16 1HB ARG 16 -1.352 -5.705 -3.379 100 HG2 ARG 16 2HG ARG 16 1.329 -4.549 -2.689 101 HG3 ARG 16 1HG ARG 16 0.867 -5.550 -4.065 102 HD2 ARG 16 2HD ARG 16 0.195 -2.667 -3.562 103 HD3 ARG 16 1HD ARG 16 1.264 -3.303 -4.799 104 HE ARG 16 HE ARG 16 -1.020 -4.453 -5.482 105 HH11 ARG 16 1HH1 ARG 16 -0.257 -1.116 -4.606 106 HH12 ARG 16 2HH1 ARG 16 -1.587 -0.450 -5.464 107 HH21 ARG 16 1HH2 ARG 16 -2.841 -3.511 -6.651 108 HH22 ARG 16 2HH2 ARG 16 -3.075 -1.825 -6.603 109 H ASP 17 HN ASP 17 -1.585 -5.124 0.271 110 HA ASP 17 HA ASP 17 -4.157 -6.429 -0.085 111 HB2 ASP 17 2HB ASP 17 -2.068 -7.439 1.100 112 HB3 ASP 17 1HB ASP 17 -2.515 -6.387 2.410 113 H HIS 18 HN HIS 18 -2.692 -4.132 2.214 114 HA HIS 18 HA HIS 18 -5.297 -3.724 3.480 115 HB2 HIS 18 2HB HIS 18 -2.599 -2.727 4.415 116 HB3 HIS 18 1HB HIS 18 -4.073 -2.828 5.349 117 HD1 HIS 18 1HD HIS 18 -4.485 -6.021 4.392 118 HD2 HIS 18 2HD HIS 18 -1.181 -4.235 6.171 119 HE1 HIS 18 1HE HIS 18 -3.247 -7.851 5.507 120 H ALA 19 HN ALA 19 -4.677 -2.636 0.942 121 HA ALA 19 HA ALA 19 -3.784 -0.016 0.833 122 HB1 ALA 19 1HB ALA 19 -4.249 -1.378 -1.133 123 HB2 ALA 19 2HB ALA 19 -5.023 0.203 -1.209 124 HB3 ALA 19 3HB ALA 19 -5.985 -1.231 -0.824 125 H ARG 20 HN ARG 20 -4.477 1.473 2.210 126 HA ARG 20 HA ARG 20 -7.288 1.831 2.784 127 HB2 ARG 20 2HB ARG 20 -5.513 2.254 4.488 128 HB3 ARG 20 1HB ARG 20 -4.965 3.613 3.517 129 HG2 ARG 20 2HG ARG 20 -7.103 4.717 3.803 130 HG3 ARG 20 1HG ARG 20 -7.708 3.338 4.724 131 HD2 ARG 20 2HD ARG 20 -7.020 5.129 6.218 132 HD3 ARG 20 1HD ARG 20 -5.977 3.721 6.411 133 HE ARG 20 HE ARG 20 -4.934 5.496 4.515 134 HH11 ARG 20 1HH1 ARG 20 -5.370 5.173 8.026 135 HH12 ARG 20 2HH1 ARG 20 -3.996 6.088 8.438 136 HH21 ARG 20 1HH2 ARG 20 -2.999 6.765 5.121 137 HH22 ARG 20 2HH2 ARG 20 -2.608 6.968 6.757 138 H CYS 21 HN CYS 21 -4.802 3.262 0.815 139 HA CYS 21 HA CYS 21 -6.847 4.907 -0.502 140 HB2 CYS 21 2HB CYS 21 -3.985 5.757 0.016 141 HB3 CYS 21 1HB CYS 21 -5.233 6.713 -0.769 142 H CYS 22 HN CYS 22 -3.395 4.009 -0.863 143 HA CYS 22 HA CYS 22 -3.933 3.154 -3.602 144 HB2 CYS 22 2HB CYS 22 -2.853 5.362 -3.509 145 HB3 CYS 22 1HB CYS 22 -1.601 4.716 -2.465 146 HN1 NH2 23 1H CYS 22 -3.812 0.990 -3.325 147 HN2 NH2 23 2H CYS 22 -2.579 0.133 -2.473 Start of MODEL 4 1 H1 ARG 1 1HT ARG 1 1.847 3.401 8.793 2 H2 ARG 1 2HT ARG 1 0.807 2.490 9.732 3 H3 ARG 1 3HT ARG 1 0.439 4.089 9.345 4 HA ARG 1 HA ARG 1 0.748 1.978 7.335 5 HB2 ARG 1 2HB ARG 1 -1.728 2.024 7.098 6 HB3 ARG 1 1HB ARG 1 -1.196 1.382 8.638 7 HG2 ARG 1 2HG ARG 1 -1.667 3.684 9.612 8 HG3 ARG 1 1HG ARG 1 -2.426 4.064 8.074 9 HD2 ARG 1 2HD ARG 1 -4.050 3.350 9.750 10 HD3 ARG 1 1HD ARG 1 -4.018 2.260 8.359 11 HE ARG 1 HE ARG 1 -2.384 0.971 9.974 12 HH11 ARG 1 1HH1 ARG 1 -5.424 2.549 10.869 13 HH12 ARG 1 2HH1 ARG 1 -5.783 1.444 12.114 14 HH21 ARG 1 1HH2 ARG 1 -2.889 -0.553 11.561 15 HH22 ARG 1 2HH2 ARG 1 -4.300 -0.415 12.511 16 H GLY 2 HN GLY 2 1.678 3.052 5.708 17 HA2 GLY 2 2HA GLY 2 0.466 5.612 5.030 18 HA3 GLY 2 1HA GLY 2 2.159 5.244 4.813 19 H CYS 3 HN CYS 3 -0.898 3.895 3.929 20 HA CYS 3 HA CYS 3 0.214 3.293 1.306 21 HB2 CYS 3 2HB CYS 3 -2.404 2.460 2.544 22 HB3 CYS 3 1HB CYS 3 -1.891 2.022 0.911 23 H CYS 4 HN CYS 4 -1.141 5.773 2.720 24 HA CYS 4 HA CYS 4 -2.050 6.821 0.148 25 HB2 CYS 4 2HB CYS 4 -2.258 8.091 2.897 26 HB3 CYS 4 1HB CYS 4 -2.971 8.716 1.410 27 H ASN 5 HN ASN 5 0.248 7.088 2.743 28 HA ASN 5 HA ASN 5 2.389 7.861 1.146 29 HB2 ASN 5 2HB ASN 5 1.031 10.008 1.276 30 HB3 ASN 5 1HB ASN 5 1.388 10.036 2.992 31 HD21 ASN 5 1HD2 ASN 5 2.688 10.465 -0.186 32 HD22 ASN 5 2HD2 ASN 5 4.206 11.106 0.296 33 H GLY 6 HN GLY 6 3.963 6.848 2.256 34 HA2 GLY 6 2HA GLY 6 5.316 7.052 4.361 35 HA3 GLY 6 1HA GLY 6 3.798 6.847 5.211 36 H ARG 7 HN ARG 7 5.131 5.052 2.438 37 HA ARG 7 HA ARG 7 5.841 2.786 3.977 38 HB2 ARG 7 2HB ARG 7 3.361 2.437 3.853 39 HB3 ARG 7 1HB ARG 7 3.418 2.609 2.114 40 HG2 ARG 7 2HG ARG 7 3.141 0.282 2.733 41 HG3 ARG 7 1HG ARG 7 4.703 0.512 1.959 42 HD2 ARG 7 2HD ARG 7 4.943 -0.977 3.845 43 HD3 ARG 7 1HD ARG 7 5.762 0.540 4.207 44 HE ARG 7 HE ARG 7 3.141 0.594 5.206 45 HH11 ARG 7 1HH1 ARG 7 6.237 -1.037 5.823 46 HH12 ARG 7 2HH1 ARG 7 5.970 -1.207 7.487 47 HH21 ARG 7 1HH2 ARG 7 2.747 0.244 7.550 48 HH22 ARG 7 2HH2 ARG 7 3.947 -0.514 8.458 49 H GLY 8 HN GLY 8 6.588 1.051 2.200 50 HA2 GLY 8 2HA GLY 8 8.269 2.399 0.364 51 HA3 GLY 8 1HA GLY 8 8.065 0.663 0.515 52 H GLY 9 HN GLY 9 6.290 3.484 -0.615 53 HA2 GLY 9 2HA GLY 9 5.426 3.926 -2.698 54 HA3 GLY 9 1HA GLY 9 6.011 2.354 -3.222 55 H CYS 10 HN CYS 10 3.815 2.756 -4.274 56 HA CYS 10 HA CYS 10 1.629 1.776 -2.618 57 HB2 CYS 10 2HB CYS 10 1.028 3.533 -4.193 58 HB3 CYS 10 1HB CYS 10 1.747 2.618 -5.512 59 H SER 11 HN SER 11 3.796 0.851 -5.106 60 HA SER 11 HA SER 11 2.483 -1.683 -5.456 61 HB2 SER 11 2HB SER 11 3.510 -0.467 -7.424 62 HB3 SER 11 1HB SER 11 5.089 -0.759 -6.699 63 HG SER 11 HG SER 11 5.042 -2.599 -7.615 64 H SER 12 HN SER 12 2.670 -2.249 -3.348 65 HA SER 12 HA SER 12 5.085 -3.684 -2.735 66 HB2 SER 12 2HB SER 12 5.262 -1.422 -1.615 67 HB3 SER 12 1HB SER 12 3.742 -1.794 -0.795 68 HG SER 12 HG SER 12 6.269 -2.655 -0.280 69 H ARG 13 HN ARG 13 4.488 -5.114 -0.881 70 HA ARG 13 HA ARG 13 2.013 -6.398 -1.584 71 HB2 ARG 13 2HB ARG 13 4.113 -7.620 -0.990 72 HB3 ARG 13 1HB ARG 13 3.901 -7.082 0.668 73 HG2 ARG 13 2HG ARG 13 1.769 -8.264 0.770 74 HG3 ARG 13 1HG ARG 13 2.017 -8.828 -0.883 75 HD2 ARG 13 2HD ARG 13 4.153 -9.871 -0.120 76 HD3 ARG 13 1HD ARG 13 3.694 -9.450 1.532 77 HE ARG 13 HE ARG 13 1.710 -10.875 0.068 78 HH11 ARG 13 1HH1 ARG 13 4.461 -11.217 2.287 79 HH12 ARG 13 2HH1 ARG 13 4.054 -12.803 2.754 80 HH21 ARG 13 1HH2 ARG 13 1.192 -13.062 0.694 81 HH22 ARG 13 2HH2 ARG 13 2.150 -13.875 1.825 82 H TRP 14 HN TRP 14 3.253 -4.603 1.129 83 HA TRP 14 HA TRP 14 1.154 -5.002 2.982 84 HB2 TRP 14 2HB TRP 14 3.546 -3.851 3.202 85 HB3 TRP 14 1HB TRP 14 2.647 -2.397 2.808 86 HD1 TRP 14 1HD TRP 14 3.480 -4.728 5.600 87 HE1 TRP 14 1HE TRP 14 2.354 -3.943 7.781 88 HE3 TRP 14 3HE TRP 14 0.383 -1.145 3.697 89 HZ2 TRP 14 2HZ TRP 14 0.431 -2.090 8.577 90 HZ3 TRP 14 3HZ TRP 14 -1.062 0.080 5.240 91 HH2 TRP 14 2HH TRP 14 -1.038 -0.389 7.635 92 H CYS 15 HN CYS 15 1.652 -2.314 0.773 93 HA CYS 15 HA CYS 15 -0.872 -1.187 1.356 94 HB2 CYS 15 2HB CYS 15 1.272 -0.716 -0.547 95 HB3 CYS 15 1HB CYS 15 -0.235 0.201 -0.633 96 H ARG 16 HN ARG 16 0.063 -3.592 -0.687 97 HA ARG 16 HA ARG 16 -2.123 -3.217 -2.555 98 HB2 ARG 16 2HB ARG 16 0.027 -4.406 -3.100 99 HB3 ARG 16 1HB ARG 16 -0.518 -5.715 -2.072 100 HG2 ARG 16 2HG ARG 16 -2.406 -6.112 -3.538 101 HG3 ARG 16 1HG ARG 16 -1.916 -4.749 -4.556 102 HD2 ARG 16 2HD ARG 16 -0.343 -7.256 -4.021 103 HD3 ARG 16 1HD ARG 16 -1.132 -6.815 -5.536 104 HE ARG 16 HE ARG 16 0.416 -4.899 -5.624 105 HH11 ARG 16 1HH1 ARG 16 1.375 -7.731 -3.665 106 HH12 ARG 16 2HH1 ARG 16 3.032 -7.441 -3.813 107 HH21 ARG 16 1HH2 ARG 16 2.751 -4.558 -5.853 108 HH22 ARG 16 2HH2 ARG 16 3.837 -5.618 -5.100 109 H ASP 17 HN ASP 17 -1.432 -5.191 0.266 110 HA ASP 17 HA ASP 17 -4.040 -6.475 0.141 111 HB2 ASP 17 2HB ASP 17 -1.816 -7.562 0.968 112 HB3 ASP 17 1HB ASP 17 -2.122 -6.659 2.430 113 H HIS 18 HN HIS 18 -2.318 -4.198 2.221 114 HA HIS 18 HA HIS 18 -4.683 -3.846 3.933 115 HB2 HIS 18 2HB HIS 18 -1.892 -2.763 4.397 116 HB3 HIS 18 1HB HIS 18 -3.168 -2.979 5.580 117 HD1 HIS 18 1HD HIS 18 -3.826 -5.921 5.299 118 HD2 HIS 18 2HD HIS 18 0.032 -4.460 5.073 119 HE1 HIS 18 1HE HIS 18 -2.322 -7.882 5.780 120 H ALA 19 HN ALA 19 -4.517 -2.751 1.314 121 HA ALA 19 HA ALA 19 -3.545 -0.186 0.987 122 HB1 ALA 19 1HB ALA 19 -4.366 -1.635 -0.814 123 HB2 ALA 19 2HB ALA 19 -5.009 0.004 -0.895 124 HB3 ALA 19 3HB ALA 19 -6.021 -1.309 -0.290 125 H ARG 20 HN ARG 20 -4.111 1.733 1.522 126 HA ARG 20 HA ARG 20 -6.707 2.213 2.825 127 HB2 ARG 20 2HB ARG 20 -4.691 2.731 4.203 128 HB3 ARG 20 1HB ARG 20 -4.184 3.890 2.985 129 HG2 ARG 20 2HG ARG 20 -5.211 4.991 4.896 130 HG3 ARG 20 1HG ARG 20 -6.163 5.237 3.432 131 HD2 ARG 20 2HD ARG 20 -7.703 3.492 4.121 132 HD3 ARG 20 1HD ARG 20 -6.739 3.181 5.569 133 HE ARG 20 HE ARG 20 -7.374 5.832 5.614 134 HH11 ARG 20 1HH1 ARG 20 -9.217 2.811 5.531 135 HH12 ARG 20 2HH1 ARG 20 -10.520 3.390 6.464 136 HH21 ARG 20 1HH2 ARG 20 -9.177 6.641 6.931 137 HH22 ARG 20 2HH2 ARG 20 -10.502 5.628 7.254 138 H CYS 21 HN CYS 21 -4.341 4.007 0.818 139 HA CYS 21 HA CYS 21 -6.631 4.971 -0.722 140 HB2 CYS 21 2HB CYS 21 -3.836 6.133 -0.524 141 HB3 CYS 21 1HB CYS 21 -5.113 6.769 -1.550 142 H CYS 22 HN CYS 22 -3.158 4.276 -1.316 143 HA CYS 22 HA CYS 22 -4.022 2.967 -3.765 144 HB2 CYS 22 2HB CYS 22 -2.496 5.017 -3.920 145 HB3 CYS 22 1HB CYS 22 -1.265 4.052 -3.116 146 HN1 NH2 23 1H CYS 22 -4.220 0.899 -3.251 147 HN2 NH2 23 2H CYS 22 -3.134 -0.031 -2.275 Start of MODEL 5 1 H1 ARG 1 1HT ARG 1 1.277 3.712 8.644 2 H2 ARG 1 2HT ARG 1 0.252 2.828 9.586 3 H3 ARG 1 3HT ARG 1 -0.265 4.290 8.887 4 HA ARG 1 HA ARG 1 0.464 1.838 7.400 5 HB2 ARG 1 2HB ARG 1 -2.204 3.215 7.555 6 HB3 ARG 1 1HB ARG 1 -1.844 1.693 6.773 7 HG2 ARG 1 2HG ARG 1 -1.550 0.592 8.876 8 HG3 ARG 1 1HG ARG 1 -1.636 2.131 9.737 9 HD2 ARG 1 2HD ARG 1 -3.843 0.841 8.154 10 HD3 ARG 1 1HD ARG 1 -3.761 1.020 9.914 11 HE ARG 1 HE ARG 1 -3.461 3.506 8.674 12 HH11 ARG 1 1HH1 ARG 1 -5.957 1.132 9.467 13 HH12 ARG 1 2HH1 ARG 1 -7.239 2.260 9.406 14 HH21 ARG 1 1HH2 ARG 1 -5.200 5.025 8.531 15 HH22 ARG 1 2HH2 ARG 1 -6.806 4.548 8.840 16 H GLY 2 HN GLY 2 1.986 3.301 6.216 17 HA2 GLY 2 2HA GLY 2 0.924 5.657 4.956 18 HA3 GLY 2 1HA GLY 2 2.549 5.014 4.826 19 H CYS 3 HN CYS 3 -0.595 3.921 4.086 20 HA CYS 3 HA CYS 3 0.306 2.936 1.460 21 HB2 CYS 3 2HB CYS 3 -2.295 2.506 2.907 22 HB3 CYS 3 1HB CYS 3 -1.753 1.646 1.458 23 H CYS 4 HN CYS 4 -0.425 5.578 2.537 24 HA CYS 4 HA CYS 4 -1.847 6.576 0.187 25 HB2 CYS 4 2HB CYS 4 -1.807 7.813 2.957 26 HB3 CYS 4 1HB CYS 4 -2.768 8.370 1.588 27 H ASN 5 HN ASN 5 0.325 7.306 2.858 28 HA ASN 5 HA ASN 5 2.507 7.924 1.150 29 HB2 ASN 5 2HB ASN 5 1.266 10.054 1.167 30 HB3 ASN 5 1HB ASN 5 1.264 10.038 2.918 31 HD21 ASN 5 1HD2 ASN 5 3.098 10.610 4.050 32 HD22 ASN 5 2HD2 ASN 5 4.492 11.283 3.303 33 H GLY 6 HN GLY 6 4.028 6.782 2.203 34 HA2 GLY 6 2HA GLY 6 5.250 7.404 4.488 35 HA3 GLY 6 1HA GLY 6 3.864 6.543 5.112 36 H ARG 7 HN ARG 7 3.696 4.340 3.289 37 HA ARG 7 HA ARG 7 6.039 2.980 4.182 38 HB2 ARG 7 2HB ARG 7 3.440 1.983 3.041 39 HB3 ARG 7 1HB ARG 7 4.814 0.918 3.266 40 HG2 ARG 7 2HG ARG 7 4.553 2.143 5.722 41 HG3 ARG 7 1HG ARG 7 2.884 1.950 5.173 42 HD2 ARG 7 2HD ARG 7 3.584 -0.036 6.462 43 HD3 ARG 7 1HD ARG 7 3.327 -0.496 4.794 44 HE ARG 7 HE ARG 7 5.952 0.127 4.867 45 HH11 ARG 7 1HH1 ARG 7 4.029 -1.976 6.968 46 HH12 ARG 7 2HH1 ARG 7 5.255 -3.127 7.111 47 HH21 ARG 7 1HH2 ARG 7 7.627 -1.455 5.124 48 HH22 ARG 7 2HH2 ARG 7 7.319 -2.835 6.077 49 H GLY 8 HN GLY 8 6.304 0.974 2.269 50 HA2 GLY 8 2HA GLY 8 8.058 1.972 0.430 51 HA3 GLY 8 1HA GLY 8 7.228 0.439 0.267 52 H GLY 9 HN GLY 9 4.588 1.404 -0.142 53 HA2 GLY 9 2HA GLY 9 3.910 3.384 -1.686 54 HA3 GLY 9 1HA GLY 9 4.923 2.499 -2.817 55 H CYS 10 HN CYS 10 3.091 2.252 -4.135 56 HA CYS 10 HA CYS 10 0.778 0.805 -3.147 57 HB2 CYS 10 2HB CYS 10 1.386 1.796 -5.921 58 HB3 CYS 10 1HB CYS 10 -0.177 1.267 -5.309 59 H SER 11 HN SER 11 3.693 0.083 -4.729 60 HA SER 11 HA SER 11 2.633 -2.309 -5.985 61 HB2 SER 11 2HB SER 11 4.376 -0.728 -7.058 62 HB3 SER 11 1HB SER 11 5.523 -1.415 -5.916 63 HG SER 11 HG SER 11 4.207 -3.401 -7.090 64 H SER 12 HN SER 12 4.414 -1.202 -3.206 65 HA SER 12 HA SER 12 5.570 -3.519 -2.329 66 HB2 SER 12 2HB SER 12 4.454 -1.185 -0.786 67 HB3 SER 12 1HB SER 12 5.720 -2.309 -0.279 68 HG SER 12 HG SER 12 7.059 -1.533 -1.845 69 H ARG 13 HN ARG 13 4.724 -5.236 -1.364 70 HA ARG 13 HA ARG 13 2.097 -5.917 -1.711 71 HB2 ARG 13 2HB ARG 13 2.530 -7.928 -0.404 72 HB3 ARG 13 1HB ARG 13 3.799 -7.581 -1.562 73 HG2 ARG 13 2HG ARG 13 5.207 -6.729 0.242 74 HG3 ARG 13 1HG ARG 13 3.912 -7.052 1.401 75 HD2 ARG 13 2HD ARG 13 5.328 -9.080 -0.313 76 HD3 ARG 13 1HD ARG 13 5.539 -8.846 1.425 77 HE ARG 13 HE ARG 13 2.982 -9.325 1.384 78 HH11 ARG 13 1HH1 ARG 13 5.484 -10.979 -0.474 79 HH12 ARG 13 2HH1 ARG 13 4.659 -12.458 -0.572 80 HH21 ARG 13 1HH2 ARG 13 1.824 -11.363 1.274 81 HH22 ARG 13 2HH2 ARG 13 2.522 -12.681 0.463 82 H TRP 14 HN TRP 14 3.464 -4.502 1.191 83 HA TRP 14 HA TRP 14 1.348 -5.151 2.988 84 HB2 TRP 14 2HB TRP 14 3.728 -4.074 3.410 85 HB3 TRP 14 1HB TRP 14 2.867 -2.563 3.155 86 HD1 TRP 14 1HD TRP 14 3.599 -5.155 5.653 87 HE1 TRP 14 1HE TRP 14 2.409 -4.674 7.891 88 HE3 TRP 14 3HE TRP 14 0.505 -1.406 4.139 89 HZ2 TRP 14 2HZ TRP 14 0.456 -2.939 8.874 90 HZ3 TRP 14 3HZ TRP 14 -0.989 -0.387 5.793 91 HH2 TRP 14 2HH TRP 14 -1.009 -1.150 8.118 92 H CYS 15 HN CYS 15 1.935 -2.207 1.184 93 HA CYS 15 HA CYS 15 -0.638 -1.205 1.872 94 HB2 CYS 15 2HB CYS 15 1.684 -0.311 0.364 95 HB3 CYS 15 1HB CYS 15 0.190 0.624 0.343 96 H ARG 16 HN ARG 16 0.620 -3.052 -0.558 97 HA ARG 16 HA ARG 16 -1.330 -2.379 -2.564 98 HB2 ARG 16 2HB ARG 16 0.873 -3.439 -3.063 99 HB3 ARG 16 1HB ARG 16 0.305 -4.897 -2.268 100 HG2 ARG 16 2HG ARG 16 -1.427 -5.156 -3.949 101 HG3 ARG 16 1HG ARG 16 -0.888 -3.672 -4.742 102 HD2 ARG 16 2HD ARG 16 0.032 -5.621 -5.868 103 HD3 ARG 16 1HD ARG 16 1.311 -4.672 -5.112 104 HE ARG 16 HE ARG 16 0.440 -6.648 -3.328 105 HH11 ARG 16 1HH1 ARG 16 2.364 -6.326 -6.287 106 HH12 ARG 16 2HH1 ARG 16 3.240 -7.772 -6.017 107 HH21 ARG 16 1HH2 ARG 16 1.628 -8.590 -2.995 108 HH22 ARG 16 2HH2 ARG 16 2.801 -9.104 -4.114 109 H ASP 17 HN ASP 17 -1.119 -4.563 0.140 110 HA ASP 17 HA ASP 17 -3.656 -5.848 -0.550 111 HB2 ASP 17 2HB ASP 17 -1.631 -7.134 0.434 112 HB3 ASP 17 1HB ASP 17 -2.010 -6.308 1.925 113 H HIS 18 HN HIS 18 -2.179 -4.025 2.097 114 HA HIS 18 HA HIS 18 -4.744 -3.689 3.435 115 HB2 HIS 18 2HB HIS 18 -2.012 -2.703 4.305 116 HB3 HIS 18 1HB HIS 18 -3.439 -2.912 5.306 117 HD1 HIS 18 1HD HIS 18 -4.013 -5.917 4.245 118 HD2 HIS 18 2HD HIS 18 -0.412 -4.435 5.645 119 HE1 HIS 18 1HE HIS 18 -2.715 -7.917 5.013 120 H ALA 19 HN ALA 19 -4.139 -2.426 0.938 121 HA ALA 19 HA ALA 19 -3.416 0.228 0.903 122 HB1 ALA 19 1HB ALA 19 -4.751 0.430 -1.113 123 HB2 ALA 19 2HB ALA 19 -5.600 -1.063 -0.713 124 HB3 ALA 19 3HB ALA 19 -3.878 -1.102 -1.090 125 H ARG 20 HN ARG 20 -4.150 1.836 2.085 126 HA ARG 20 HA ARG 20 -6.948 1.934 2.832 127 HB2 ARG 20 2HB ARG 20 -5.275 2.516 4.571 128 HB3 ARG 20 1HB ARG 20 -4.692 3.836 3.566 129 HG2 ARG 20 2HG ARG 20 -6.139 4.695 5.315 130 HG3 ARG 20 1HG ARG 20 -6.894 4.922 3.734 131 HD2 ARG 20 2HD ARG 20 -8.126 2.739 4.167 132 HD3 ARG 20 1HD ARG 20 -7.534 2.858 5.823 133 HE ARG 20 HE ARG 20 -8.749 5.238 5.288 134 HH11 ARG 20 1HH1 ARG 20 -9.671 1.826 5.424 135 HH12 ARG 20 2HH1 ARG 20 -11.329 2.127 5.689 136 HH21 ARG 20 1HH2 ARG 20 -11.092 5.657 5.715 137 HH22 ARG 20 2HH2 ARG 20 -12.133 4.319 5.871 138 H CYS 21 HN CYS 21 -4.585 3.671 0.891 139 HA CYS 21 HA CYS 21 -6.798 5.141 -0.346 140 HB2 CYS 21 2HB CYS 21 -3.906 5.984 -0.120 141 HB3 CYS 21 1HB CYS 21 -5.181 6.919 -0.885 142 H CYS 22 HN CYS 22 -3.404 4.336 -1.196 143 HA CYS 22 HA CYS 22 -4.363 3.731 -3.866 144 HB2 CYS 22 2HB CYS 22 -2.597 5.367 -3.766 145 HB3 CYS 22 1HB CYS 22 -1.591 4.301 -2.792 146 HN1 NH2 23 1H CYS 22 -1.567 2.357 -2.155 147 HN2 NH2 23 2H CYS 22 -2.075 0.717 -2.350 Start of MODEL 6 1 H1 ARG 1 1HT ARG 1 -2.231 4.661 7.286 2 H2 ARG 1 2HT ARG 1 -0.876 4.815 8.209 3 H3 ARG 1 3HT ARG 1 -2.026 3.666 8.637 4 HA ARG 1 HA ARG 1 -0.113 2.615 7.538 5 HB2 ARG 1 2HB ARG 1 -2.459 2.768 5.592 6 HB3 ARG 1 1HB ARG 1 -1.215 1.549 5.609 7 HG2 ARG 1 2HG ARG 1 -3.092 1.976 7.908 8 HG3 ARG 1 1HG ARG 1 -3.411 0.864 6.578 9 HD2 ARG 1 2HD ARG 1 -1.456 -0.416 7.120 10 HD3 ARG 1 1HD ARG 1 -0.965 0.765 8.330 11 HE ARG 1 HE ARG 1 -3.289 0.136 9.262 12 HH11 ARG 1 1HH1 ARG 1 -0.824 -2.080 8.001 13 HH12 ARG 1 2HH1 ARG 1 -1.303 -3.372 8.998 14 HH21 ARG 1 1HH2 ARG 1 -3.880 -1.591 10.627 15 HH22 ARG 1 2HH2 ARG 1 -3.099 -3.118 10.505 16 H GLY 2 HN GLY 2 1.626 2.855 5.884 17 HA2 GLY 2 2HA GLY 2 1.790 5.418 4.751 18 HA3 GLY 2 1HA GLY 2 2.882 4.083 4.462 19 H CYS 3 HN CYS 3 -0.207 3.149 3.764 20 HA CYS 3 HA CYS 3 0.236 3.319 0.929 21 HB2 CYS 3 2HB CYS 3 -2.291 2.407 2.330 22 HB3 CYS 3 1HB CYS 3 -1.729 2.004 0.716 23 H CYS 4 HN CYS 4 -0.858 5.409 3.209 24 HA CYS 4 HA CYS 4 -2.326 6.923 1.192 25 HB2 CYS 4 2HB CYS 4 -2.396 7.196 4.203 26 HB3 CYS 4 1HB CYS 4 -3.282 8.214 3.068 27 H ASN 5 HN ASN 5 0.205 6.982 3.580 28 HA ASN 5 HA ASN 5 1.732 8.738 1.954 29 HB2 ASN 5 2HB ASN 5 0.264 10.301 3.228 30 HB3 ASN 5 1HB ASN 5 0.951 9.658 4.716 31 HD21 ASN 5 1HD2 ASN 5 1.573 11.543 1.879 32 HD22 ASN 5 2HD2 ASN 5 3.049 12.242 2.396 33 H GLY 6 HN GLY 6 3.529 7.571 1.985 34 HA2 GLY 6 2HA GLY 6 5.512 7.318 3.494 35 HA3 GLY 6 1HA GLY 6 4.397 6.491 4.578 36 H ARG 7 HN ARG 7 5.194 4.479 4.589 37 HA ARG 7 HA ARG 7 5.842 2.493 4.029 38 HB2 ARG 7 2HB ARG 7 3.467 2.467 3.196 39 HB3 ARG 7 1HB ARG 7 4.093 2.877 1.610 40 HG2 ARG 7 2HG ARG 7 3.446 0.538 1.762 41 HG3 ARG 7 1HG ARG 7 5.156 0.659 1.434 42 HD2 ARG 7 2HD ARG 7 3.855 0.102 4.115 43 HD3 ARG 7 1HD ARG 7 4.630 -1.094 3.106 44 HE ARG 7 HE ARG 7 6.529 0.834 3.632 45 HH11 ARG 7 1HH1 ARG 7 4.613 -1.512 5.493 46 HH12 ARG 7 2HH1 ARG 7 5.713 -1.583 6.778 47 HH21 ARG 7 1HH2 ARG 7 8.034 0.706 5.403 48 HH22 ARG 7 2HH2 ARG 7 7.710 -0.299 6.732 49 H GLY 8 HN GLY 8 6.667 1.192 1.555 50 HA2 GLY 8 2HA GLY 8 8.737 2.925 0.574 51 HA3 GLY 8 1HA GLY 8 8.463 1.237 0.141 52 H GLY 9 HN GLY 9 5.938 1.137 -0.736 53 HA2 GLY 9 2HA GLY 9 5.242 3.311 -2.419 54 HA3 GLY 9 1HA GLY 9 5.939 1.956 -3.305 55 H CYS 10 HN CYS 10 3.479 2.518 -3.994 56 HA CYS 10 HA CYS 10 1.484 1.162 -2.437 57 HB2 CYS 10 2HB CYS 10 1.389 2.096 -5.309 58 HB3 CYS 10 1HB CYS 10 0.005 1.598 -4.348 59 H SER 11 HN SER 11 3.709 0.320 -4.872 60 HA SER 11 HA SER 11 2.387 -1.974 -5.906 61 HB2 SER 11 2HB SER 11 4.071 -0.736 -7.199 62 HB3 SER 11 1HB SER 11 5.311 -1.159 -6.028 63 HG SER 11 HG SER 11 3.852 -2.855 -7.736 64 H SER 12 HN SER 12 4.283 -1.380 -3.055 65 HA SER 12 HA SER 12 5.363 -3.880 -2.570 66 HB2 SER 12 2HB SER 12 4.422 -1.764 -0.639 67 HB3 SER 12 1HB SER 12 5.725 -2.936 -0.420 68 HG SER 12 HG SER 12 6.515 -1.858 -2.494 69 H ARG 13 HN ARG 13 4.453 -5.674 -1.605 70 HA ARG 13 HA ARG 13 1.728 -6.095 -1.838 71 HB2 ARG 13 2HB ARG 13 2.035 -8.250 -0.644 72 HB3 ARG 13 1HB ARG 13 3.130 -7.995 -1.987 73 HG2 ARG 13 2HG ARG 13 4.946 -7.525 -0.476 74 HG3 ARG 13 1HG ARG 13 3.851 -7.593 0.910 75 HD2 ARG 13 2HD ARG 13 5.142 -9.681 0.621 76 HD3 ARG 13 1HD ARG 13 3.401 -9.925 0.495 77 HE ARG 13 HE ARG 13 5.093 -9.645 -1.888 78 HH11 ARG 13 1HH1 ARG 13 2.833 -11.599 0.023 79 HH12 ARG 13 2HH1 ARG 13 2.484 -12.703 -1.225 80 HH21 ARG 13 1HH2 ARG 13 4.612 -11.176 -3.622 81 HH22 ARG 13 2HH2 ARG 13 3.538 -12.464 -3.335 82 H TRP 14 HN TRP 14 3.348 -4.778 0.813 83 HA TRP 14 HA TRP 14 1.462 -5.179 2.915 84 HB2 TRP 14 2HB TRP 14 3.855 -4.202 2.965 85 HB3 TRP 14 1HB TRP 14 3.126 -2.712 2.395 86 HD1 TRP 14 1HD TRP 14 3.504 -4.922 5.426 87 HE1 TRP 14 1HE TRP 14 2.838 -3.576 7.543 88 HE3 TRP 14 3HE TRP 14 1.572 -0.790 3.198 89 HZ2 TRP 14 2HZ TRP 14 1.688 -1.131 8.142 90 HZ3 TRP 14 3HZ TRP 14 0.733 1.004 4.599 91 HH2 TRP 14 2HH TRP 14 0.793 0.834 7.045 92 H CYS 15 HN CYS 15 1.809 -2.594 0.542 93 HA CYS 15 HA CYS 15 -0.666 -1.433 1.324 94 HB2 CYS 15 2HB CYS 15 1.408 -0.857 -0.670 95 HB3 CYS 15 1HB CYS 15 -0.166 -0.051 -0.705 96 H ARG 16 HN ARG 16 0.348 -3.731 -0.885 97 HA ARG 16 HA ARG 16 -1.888 -3.502 -2.638 98 HB2 ARG 16 2HB ARG 16 -0.258 -5.960 -1.975 99 HB3 ARG 16 1HB ARG 16 -1.471 -5.885 -3.235 100 HG2 ARG 16 2HG ARG 16 1.073 -4.265 -3.153 101 HG3 ARG 16 1HG ARG 16 0.754 -5.660 -4.186 102 HD2 ARG 16 2HD ARG 16 -0.643 -2.982 -4.249 103 HD3 ARG 16 1HD ARG 16 0.427 -3.656 -5.475 104 HE ARG 16 HE ARG 16 -1.415 -5.521 -5.414 105 HH11 ARG 16 1HH1 ARG 16 -1.859 -1.970 -5.548 106 HH12 ARG 16 2HH1 ARG 16 -3.387 -2.085 -6.260 107 HH21 ARG 16 1HH2 ARG 16 -3.533 -5.606 -6.371 108 HH22 ARG 16 2HH2 ARG 16 -4.347 -4.172 -6.768 109 H ASP 17 HN ASP 17 -1.419 -4.924 0.468 110 HA ASP 17 HA ASP 17 -4.086 -6.132 0.463 111 HB2 ASP 17 2HB ASP 17 -2.055 -7.331 1.433 112 HB3 ASP 17 1HB ASP 17 -2.077 -6.121 2.701 113 H HIS 18 HN HIS 18 -2.147 -3.839 2.333 114 HA HIS 18 HA HIS 18 -4.392 -2.994 3.974 115 HB2 HIS 18 2HB HIS 18 -1.500 -2.014 4.004 116 HB3 HIS 18 1HB HIS 18 -2.702 -1.748 5.250 117 HD1 HIS 18 1HD HIS 18 -3.601 -4.879 5.233 118 HD2 HIS 18 2HD HIS 18 0.238 -3.390 5.628 119 HE1 HIS 18 1HE HIS 18 -2.314 -6.651 6.424 120 H ALA 19 HN ALA 19 -4.346 -2.481 1.188 121 HA ALA 19 HA ALA 19 -3.668 0.163 0.511 122 HB1 ALA 19 1HB ALA 19 -5.054 -0.147 -1.464 123 HB2 ALA 19 2HB ALA 19 -5.704 -1.646 -0.776 124 HB3 ALA 19 3HB ALA 19 -3.991 -1.520 -1.177 125 H ARG 20 HN ARG 20 -4.491 1.443 2.131 126 HA ARG 20 HA ARG 20 -7.343 1.713 2.482 127 HB2 ARG 20 2HB ARG 20 -5.078 3.440 3.500 128 HB3 ARG 20 1HB ARG 20 -6.764 3.611 3.956 129 HG2 ARG 20 2HG ARG 20 -5.003 1.228 4.523 130 HG3 ARG 20 1HG ARG 20 -5.506 2.454 5.687 131 HD2 ARG 20 2HD ARG 20 -7.319 0.535 4.217 132 HD3 ARG 20 1HD ARG 20 -6.852 0.436 5.909 133 HE ARG 20 HE ARG 20 -7.982 2.928 5.560 134 HH11 ARG 20 1HH1 ARG 20 -9.051 -0.437 5.228 135 HH12 ARG 20 2HH1 ARG 20 -10.655 -0.121 5.680 136 HH21 ARG 20 1HH2 ARG 20 -10.221 3.366 6.172 137 HH22 ARG 20 2HH2 ARG 20 -11.335 2.092 6.214 138 H CYS 21 HN CYS 21 -4.759 3.794 1.261 139 HA CYS 21 HA CYS 21 -6.779 5.211 -0.312 140 HB2 CYS 21 2HB CYS 21 -3.972 6.079 0.383 141 HB3 CYS 21 1HB CYS 21 -5.207 7.067 -0.391 142 H CYS 22 HN CYS 22 -3.300 4.369 -0.621 143 HA CYS 22 HA CYS 22 -3.828 3.566 -3.383 144 HB2 CYS 22 2HB CYS 22 -2.525 5.666 -3.197 145 HB3 CYS 22 1HB CYS 22 -1.353 4.838 -2.183 146 HN1 NH2 23 1H CYS 22 -3.918 1.409 -3.169 147 HN2 NH2 23 2H CYS 22 -2.754 0.421 -2.359 Start of MODEL 7 1 H1 ARG 1 1HT ARG 1 -2.203 3.393 7.578 2 H2 ARG 1 2HT ARG 1 -1.334 4.527 8.452 3 H3 ARG 1 3HT ARG 1 -1.592 2.987 9.104 4 HA ARG 1 HA ARG 1 0.663 3.244 8.279 5 HB2 ARG 1 2HB ARG 1 -0.740 1.080 8.010 6 HB3 ARG 1 1HB ARG 1 -0.883 1.546 6.327 7 HG2 ARG 1 2HG ARG 1 0.863 -0.073 6.549 8 HG3 ARG 1 1HG ARG 1 1.576 1.489 6.138 9 HD2 ARG 1 2HD ARG 1 2.832 0.283 7.898 10 HD3 ARG 1 1HD ARG 1 2.232 1.848 8.430 11 HE ARG 1 HE ARG 1 0.309 0.012 9.181 12 HH11 ARG 1 1HH1 ARG 1 3.737 0.452 9.854 13 HH12 ARG 1 2HH1 ARG 1 3.638 -0.060 11.473 14 HH21 ARG 1 1HH2 ARG 1 0.152 -0.687 11.367 15 HH22 ARG 1 2HH2 ARG 1 1.537 -0.745 12.363 16 H GLY 2 HN GLY 2 2.039 3.617 6.281 17 HA2 GLY 2 2HA GLY 2 1.065 5.978 5.049 18 HA3 GLY 2 1HA GLY 2 2.629 5.230 4.889 19 H CYS 3 HN CYS 3 -0.468 3.908 4.056 20 HA CYS 3 HA CYS 3 0.528 3.697 1.298 21 HB2 CYS 3 2HB CYS 3 -2.171 2.697 2.337 22 HB3 CYS 3 1HB CYS 3 -1.442 2.361 0.782 23 H CYS 4 HN CYS 4 -0.748 5.878 3.146 24 HA CYS 4 HA CYS 4 -2.024 7.400 0.963 25 HB2 CYS 4 2HB CYS 4 -2.398 7.764 3.905 26 HB3 CYS 4 1HB CYS 4 -3.331 8.439 2.577 27 H ASN 5 HN ASN 5 0.540 7.038 2.979 28 HA ASN 5 HA ASN 5 1.293 9.897 3.009 29 HB2 ASN 5 2HB ASN 5 0.261 9.505 5.159 30 HB3 ASN 5 1HB ASN 5 1.315 8.134 5.458 31 HD21 ASN 5 1HD2 ASN 5 1.090 11.605 5.354 32 HD22 ASN 5 2HD2 ASN 5 2.545 11.926 6.206 33 H GLY 6 HN GLY 6 2.499 6.569 2.878 34 HA2 GLY 6 2HA GLY 6 4.841 6.887 1.801 35 HA3 GLY 6 1HA GLY 6 5.195 7.493 3.409 36 H ARG 7 HN ARG 7 4.731 4.787 1.457 37 HA ARG 7 HA ARG 7 5.708 3.065 3.575 38 HB2 ARG 7 2HB ARG 7 3.401 2.683 1.767 39 HB3 ARG 7 1HB ARG 7 4.449 1.280 1.951 40 HG2 ARG 7 2HG ARG 7 2.993 2.742 4.163 41 HG3 ARG 7 1HG ARG 7 2.452 1.248 3.406 42 HD2 ARG 7 2HD ARG 7 3.503 0.627 5.453 43 HD3 ARG 7 1HD ARG 7 4.622 0.205 4.177 44 HE ARG 7 HE ARG 7 5.043 2.821 5.137 45 HH11 ARG 7 1HH1 ARG 7 5.813 -0.594 5.795 46 HH12 ARG 7 2HH1 ARG 7 7.150 -0.262 6.771 47 HH21 ARG 7 1HH2 ARG 7 6.924 3.269 6.542 48 HH22 ARG 7 2HH2 ARG 7 7.785 1.970 7.213 49 H GLY 8 HN GLY 8 6.266 0.867 1.860 50 HA2 GLY 8 2HA GLY 8 8.324 1.940 0.169 51 HA3 GLY 8 1HA GLY 8 7.937 0.239 0.418 52 H GLY 9 HN GLY 9 6.239 3.043 -0.880 53 HA2 GLY 9 2HA GLY 9 5.336 3.416 -2.984 54 HA3 GLY 9 1HA GLY 9 6.030 1.888 -3.511 55 H CYS 10 HN CYS 10 3.621 2.460 -4.446 56 HA CYS 10 HA CYS 10 1.538 1.378 -2.771 57 HB2 CYS 10 2HB CYS 10 1.525 2.053 -5.722 58 HB3 CYS 10 1HB CYS 10 0.109 1.680 -4.748 59 H SER 11 HN SER 11 3.917 0.225 -4.872 60 HA SER 11 HA SER 11 2.583 -2.210 -5.576 61 HB2 SER 11 2HB SER 11 4.232 -1.063 -7.093 62 HB3 SER 11 1HB SER 11 5.508 -1.443 -5.948 63 HG SER 11 HG SER 11 3.851 -3.287 -7.304 64 H SER 12 HN SER 12 3.946 -1.080 -2.777 65 HA SER 12 HA SER 12 5.337 -3.317 -1.801 66 HB2 SER 12 2HB SER 12 5.445 -1.177 -0.656 67 HB3 SER 12 1HB SER 12 3.696 -1.269 -0.333 68 HG SER 12 HG SER 12 5.708 -2.201 1.104 69 H ARG 13 HN ARG 13 4.613 -4.841 -0.461 70 HA ARG 13 HA ARG 13 2.222 -6.133 -1.413 71 HB2 ARG 13 2HB ARG 13 4.001 -6.966 0.885 72 HB3 ARG 13 1HB ARG 13 2.789 -7.966 0.107 73 HG2 ARG 13 2HG ARG 13 4.035 -7.915 -1.971 74 HG3 ARG 13 1HG ARG 13 5.243 -6.860 -1.235 75 HD2 ARG 13 2HD ARG 13 5.714 -8.624 0.425 76 HD3 ARG 13 1HD ARG 13 4.568 -9.674 -0.405 77 HE ARG 13 HE ARG 13 6.361 -8.826 -2.310 78 HH11 ARG 13 1HH1 ARG 13 6.516 -10.673 0.698 79 HH12 ARG 13 2HH1 ARG 13 7.845 -11.615 0.244 80 HH21 ARG 13 1HH2 ARG 13 8.199 -10.116 -2.975 81 HH22 ARG 13 2HH2 ARG 13 8.846 -11.270 -1.914 82 H TRP 14 HN TRP 14 3.058 -4.186 1.259 83 HA TRP 14 HA TRP 14 0.868 -4.847 2.984 84 HB2 TRP 14 2HB TRP 14 3.126 -3.499 3.447 85 HB3 TRP 14 1HB TRP 14 2.146 -2.126 2.948 86 HD1 TRP 14 1HD TRP 14 3.011 -4.149 5.837 87 HE1 TRP 14 1HE TRP 14 1.479 -3.664 7.859 88 HE3 TRP 14 3HE TRP 14 -0.571 -1.378 3.510 89 HZ2 TRP 14 2HZ TRP 14 -0.905 -2.309 8.390 90 HZ3 TRP 14 3HZ TRP 14 -2.440 -0.517 4.844 91 HH2 TRP 14 2HH TRP 14 -2.597 -0.974 7.247 92 H CYS 15 HN CYS 15 1.512 -2.131 0.853 93 HA CYS 15 HA CYS 15 -1.047 -1.048 1.121 94 HB2 CYS 15 2HB CYS 15 1.180 -0.582 -0.784 95 HB3 CYS 15 1HB CYS 15 -0.292 0.391 -0.672 96 H ARG 16 HN ARG 16 0.273 -3.417 -0.985 97 HA ARG 16 HA ARG 16 -1.835 -3.211 -2.893 98 HB2 ARG 16 2HB ARG 16 0.065 -5.477 -2.302 99 HB3 ARG 16 1HB ARG 16 -1.163 -5.567 -3.551 100 HG2 ARG 16 2HG ARG 16 -0.125 -3.609 -4.651 101 HG3 ARG 16 1HG ARG 16 1.143 -3.634 -3.427 102 HD2 ARG 16 2HD ARG 16 1.868 -4.762 -5.473 103 HD3 ARG 16 1HD ARG 16 1.778 -5.886 -4.121 104 HE ARG 16 HE ARG 16 -0.656 -6.081 -5.314 105 HH11 ARG 16 1HH1 ARG 16 2.639 -6.406 -6.640 106 HH12 ARG 16 2HH1 ARG 16 2.211 -7.692 -7.652 107 HH21 ARG 16 1HH2 ARG 16 -1.191 -7.845 -6.744 108 HH22 ARG 16 2HH2 ARG 16 0.006 -8.493 -7.750 109 H ASP 17 HN ASP 17 -1.354 -5.111 0.039 110 HA ASP 17 HA ASP 17 -3.820 -6.583 -0.439 111 HB2 ASP 17 2HB ASP 17 -1.722 -7.574 0.680 112 HB3 ASP 17 1HB ASP 17 -2.167 -6.605 2.059 113 H HIS 18 HN HIS 18 -2.548 -4.340 1.986 114 HA HIS 18 HA HIS 18 -5.211 -4.180 3.222 115 HB2 HIS 18 2HB HIS 18 -2.706 -3.025 4.424 116 HB3 HIS 18 1HB HIS 18 -4.138 -3.617 5.233 117 HD1 HIS 18 1HD HIS 18 -4.190 -6.568 4.473 118 HD2 HIS 18 2HD HIS 18 -0.673 -4.498 5.166 119 HE1 HIS 18 1HE HIS 18 -2.483 -8.304 5.119 120 H ALA 19 HN ALA 19 -4.631 -2.870 0.818 121 HA ALA 19 HA ALA 19 -3.631 -0.315 0.784 122 HB1 ALA 19 1HB ALA 19 -4.983 0.148 -1.119 123 HB2 ALA 19 2HB ALA 19 -6.061 -1.203 -0.748 124 HB3 ALA 19 3HB ALA 19 -4.380 -1.507 -1.210 125 H ARG 20 HN ARG 20 -4.019 1.136 2.241 126 HA ARG 20 HA ARG 20 -6.657 1.704 3.227 127 HB2 ARG 20 2HB ARG 20 -4.656 1.917 4.668 128 HB3 ARG 20 1HB ARG 20 -4.045 3.182 3.624 129 HG2 ARG 20 2HG ARG 20 -5.010 4.082 5.677 130 HG3 ARG 20 1HG ARG 20 -5.872 4.627 4.239 131 HD2 ARG 20 2HD ARG 20 -7.411 4.046 6.052 132 HD3 ARG 20 1HD ARG 20 -7.636 2.999 4.658 133 HE ARG 20 HE ARG 20 -5.858 1.746 6.395 134 HH11 ARG 20 1HH1 ARG 20 -9.244 2.758 6.393 135 HH12 ARG 20 2HH1 ARG 20 -9.770 1.508 7.411 136 HH21 ARG 20 1HH2 ARG 20 -6.611 -0.018 7.817 137 HH22 ARG 20 2HH2 ARG 20 -8.243 -0.079 8.246 138 H CYS 21 HN CYS 21 -4.393 3.023 0.915 139 HA CYS 21 HA CYS 21 -6.544 4.554 -0.291 140 HB2 CYS 21 2HB CYS 21 -3.815 5.788 0.254 141 HB3 CYS 21 1HB CYS 21 -5.146 6.561 -0.593 142 H CYS 22 HN CYS 22 -2.984 4.374 -0.811 143 HA CYS 22 HA CYS 22 -3.552 3.344 -3.485 144 HB2 CYS 22 2HB CYS 22 -2.344 5.554 -3.255 145 HB3 CYS 22 1HB CYS 22 -1.048 4.702 -2.433 146 HN1 NH2 23 1H CYS 22 -3.606 1.175 -3.123 147 HN2 NH2 23 2H CYS 22 -2.353 0.251 -2.384 Start of MODEL 8 1 H1 ARG 1 1HT ARG 1 -2.094 3.893 7.983 2 H2 ARG 1 2HT ARG 1 -0.543 3.905 8.542 3 H3 ARG 1 3HT ARG 1 -1.513 2.597 8.929 4 HA ARG 1 HA ARG 1 0.031 2.002 7.184 5 HB2 ARG 1 2HB ARG 1 -2.770 2.512 6.132 6 HB3 ARG 1 1HB ARG 1 -1.538 1.775 5.134 7 HG2 ARG 1 2HG ARG 1 -2.888 0.038 5.969 8 HG3 ARG 1 1HG ARG 1 -1.377 -0.050 6.850 9 HD2 ARG 1 2HD ARG 1 -2.524 1.228 8.700 10 HD3 ARG 1 1HD ARG 1 -4.026 0.996 7.808 11 HE ARG 1 HE ARG 1 -2.535 -1.393 8.214 12 HH11 ARG 1 1HH1 ARG 1 -4.944 0.733 9.758 13 HH12 ARG 1 2HH1 ARG 1 -5.579 -0.510 10.728 14 HH21 ARG 1 1HH2 ARG 1 -3.414 -3.032 9.519 15 HH22 ARG 1 2HH2 ARG 1 -4.700 -2.704 10.598 16 H GLY 2 HN GLY 2 1.557 2.902 5.695 17 HA2 GLY 2 2HA GLY 2 1.159 5.654 4.922 18 HA3 GLY 2 1HA GLY 2 2.566 4.650 4.669 19 H CYS 3 HN CYS 3 -0.667 3.945 3.864 20 HA CYS 3 HA CYS 3 0.150 3.427 1.109 21 HB2 CYS 3 2HB CYS 3 -2.428 2.753 2.504 22 HB3 CYS 3 1HB CYS 3 -1.922 2.191 0.913 23 H CYS 4 HN CYS 4 -0.669 5.947 2.642 24 HA CYS 4 HA CYS 4 -1.916 7.089 0.261 25 HB2 CYS 4 2HB CYS 4 -2.199 8.291 3.048 26 HB3 CYS 4 1HB CYS 4 -3.082 8.721 1.597 27 H ASN 5 HN ASN 5 0.289 7.369 2.942 28 HA ASN 5 HA ASN 5 2.469 8.314 1.411 29 HB2 ASN 5 2HB ASN 5 1.090 10.413 1.757 30 HB3 ASN 5 1HB ASN 5 1.354 10.229 3.476 31 HD21 ASN 5 1HD2 ASN 5 2.146 12.469 1.916 32 HD22 ASN 5 2HD2 ASN 5 3.858 12.597 2.005 33 H GLY 6 HN GLY 6 3.962 7.016 2.371 34 HA2 GLY 6 2HA GLY 6 5.448 7.192 4.421 35 HA3 GLY 6 1HA GLY 6 3.974 6.956 5.332 36 H ARG 7 HN ARG 7 4.899 5.159 2.415 37 HA ARG 7 HA ARG 7 5.830 2.970 3.961 38 HB2 ARG 7 2HB ARG 7 3.463 2.487 4.035 39 HB3 ARG 7 1HB ARG 7 3.286 2.736 2.312 40 HG2 ARG 7 2HG ARG 7 3.180 0.367 2.957 41 HG3 ARG 7 1HG ARG 7 4.514 0.699 1.861 42 HD2 ARG 7 2HD ARG 7 5.199 -0.833 3.631 43 HD3 ARG 7 1HD ARG 7 6.063 0.696 3.744 44 HE ARG 7 HE ARG 7 3.837 0.790 5.432 45 HH11 ARG 7 1HH1 ARG 7 6.964 -0.771 5.126 46 HH12 ARG 7 2HH1 ARG 7 7.141 -1.175 6.763 47 HH21 ARG 7 1HH2 ARG 7 4.056 0.322 7.741 48 HH22 ARG 7 2HH2 ARG 7 5.437 -0.490 8.310 49 H GLY 8 HN GLY 8 6.959 1.401 2.443 50 HA2 GLY 8 2HA GLY 8 8.213 2.751 0.285 51 HA3 GLY 8 1HA GLY 8 8.488 1.095 0.785 52 H GLY 9 HN GLY 9 5.953 3.011 -0.732 53 HA2 GLY 9 2HA GLY 9 5.384 2.817 -3.034 54 HA3 GLY 9 1HA GLY 9 6.004 1.179 -3.030 55 H CYS 10 HN CYS 10 3.397 2.535 -3.708 56 HA CYS 10 HA CYS 10 1.458 1.339 -1.966 57 HB2 CYS 10 2HB CYS 10 1.051 2.404 -4.768 58 HB3 CYS 10 1HB CYS 10 -0.175 2.154 -3.531 59 H SER 11 HN SER 11 3.256 0.436 -4.710 60 HA SER 11 HA SER 11 1.528 -1.735 -5.524 61 HB2 SER 11 2HB SER 11 2.804 -0.385 -7.191 62 HB3 SER 11 1HB SER 11 4.306 -0.986 -6.500 63 HG SER 11 HG SER 11 3.939 -2.923 -7.287 64 H SER 12 HN SER 12 3.736 -1.267 -3.118 65 HA SER 12 HA SER 12 5.083 -3.771 -3.070 66 HB2 SER 12 2HB SER 12 5.728 -1.620 -1.797 67 HB3 SER 12 1HB SER 12 4.362 -2.036 -0.746 68 HG SER 12 HG SER 12 6.494 -3.803 -1.233 69 H ARG 13 HN ARG 13 4.552 -5.427 -1.525 70 HA ARG 13 HA ARG 13 1.851 -6.251 -1.876 71 HB2 ARG 13 2HB ARG 13 3.681 -7.888 -1.757 72 HB3 ARG 13 1HB ARG 13 3.962 -7.455 -0.081 73 HG2 ARG 13 2HG ARG 13 1.814 -8.337 0.567 74 HG3 ARG 13 1HG ARG 13 1.407 -8.663 -1.117 75 HD2 ARG 13 2HD ARG 13 3.711 -9.904 0.372 76 HD3 ARG 13 1HD ARG 13 2.143 -10.672 0.126 77 HE ARG 13 HE ARG 13 3.032 -9.935 -2.359 78 HH11 ARG 13 1HH1 ARG 13 4.300 -12.034 0.216 79 HH12 ARG 13 2HH1 ARG 13 4.950 -13.179 -0.852 80 HH21 ARG 13 1HH2 ARG 13 3.997 -11.513 -3.832 81 HH22 ARG 13 2HH2 ARG 13 4.797 -12.865 -3.182 82 H TRP 14 HN TRP 14 3.486 -4.660 0.630 83 HA TRP 14 HA TRP 14 1.688 -5.016 2.796 84 HB2 TRP 14 2HB TRP 14 4.117 -3.945 2.623 85 HB3 TRP 14 1HB TRP 14 3.209 -2.472 2.326 86 HD1 TRP 14 1HD TRP 14 4.219 -4.871 5.034 87 HE1 TRP 14 1HE TRP 14 3.474 -3.941 7.331 88 HE3 TRP 14 3HE TRP 14 1.323 -0.987 3.453 89 HZ2 TRP 14 2HZ TRP 14 1.892 -1.875 8.315 90 HZ3 TRP 14 3HZ TRP 14 0.239 0.411 5.125 91 HH2 TRP 14 2HH TRP 14 0.532 -0.036 7.539 92 H CYS 15 HN CYS 15 1.947 -2.187 0.684 93 HA CYS 15 HA CYS 15 -0.600 -1.287 1.526 94 HB2 CYS 15 2HB CYS 15 1.445 -0.430 -0.351 95 HB3 CYS 15 1HB CYS 15 -0.146 0.311 -0.428 96 H ARG 16 HN ARG 16 0.441 -3.302 -0.959 97 HA ARG 16 HA ARG 16 -1.885 -2.944 -2.561 98 HB2 ARG 16 2HB ARG 16 0.196 -3.933 -3.480 99 HB3 ARG 16 1HB ARG 16 -0.021 -5.331 -2.442 100 HG2 ARG 16 2HG ARG 16 -0.684 -5.765 -4.767 101 HG3 ARG 16 1HG ARG 16 -2.020 -5.960 -3.635 102 HD2 ARG 16 2HD ARG 16 -2.749 -4.782 -5.629 103 HD3 ARG 16 1HD ARG 16 -2.855 -3.740 -4.220 104 HE ARG 16 HE ARG 16 -0.573 -3.623 -6.054 105 HH11 ARG 16 1HH1 ARG 16 -3.235 -1.978 -4.366 106 HH12 ARG 16 2HH1 ARG 16 -2.885 -0.436 -4.984 107 HH21 ARG 16 1HH2 ARG 16 -0.129 -1.467 -6.973 108 HH22 ARG 16 2HH2 ARG 16 -1.060 -0.130 -6.483 109 H ASP 17 HN ASP 17 -1.200 -4.678 0.327 110 HA ASP 17 HA ASP 17 -3.742 -6.154 0.137 111 HB2 ASP 17 2HB ASP 17 -1.522 -7.304 0.834 112 HB3 ASP 17 1HB ASP 17 -1.710 -6.416 2.323 113 H HIS 18 HN HIS 18 -1.931 -3.989 2.243 114 HA HIS 18 HA HIS 18 -4.179 -3.618 4.070 115 HB2 HIS 18 2HB HIS 18 -1.389 -2.402 4.207 116 HB3 HIS 18 1HB HIS 18 -2.556 -2.485 5.510 117 HD1 HIS 18 1HD HIS 18 -3.192 -5.514 5.467 118 HD2 HIS 18 2HD HIS 18 0.614 -3.959 5.057 119 HE1 HIS 18 1HE HIS 18 -1.634 -7.365 6.110 120 H ALA 19 HN ALA 19 -4.202 -2.649 1.343 121 HA ALA 19 HA ALA 19 -3.561 -0.011 0.878 122 HB1 ALA 19 1HB ALA 19 -5.138 -0.046 -0.910 123 HB2 ALA 19 2HB ALA 19 -5.946 -1.453 -0.219 124 HB3 ALA 19 3HB ALA 19 -4.294 -1.595 -0.832 125 H ARG 20 HN ARG 20 -4.196 1.771 1.711 126 HA ARG 20 HA ARG 20 -6.916 1.993 2.783 127 HB2 ARG 20 2HB ARG 20 -5.065 2.485 4.398 128 HB3 ARG 20 1HB ARG 20 -4.552 3.803 3.360 129 HG2 ARG 20 2HG ARG 20 -5.846 4.587 5.291 130 HG3 ARG 20 1HG ARG 20 -6.630 4.983 3.764 131 HD2 ARG 20 2HD ARG 20 -8.227 4.169 5.471 132 HD3 ARG 20 1HD ARG 20 -8.191 3.151 4.040 133 HE ARG 20 HE ARG 20 -6.417 1.983 5.758 134 HH11 ARG 20 1HH1 ARG 20 -9.836 2.845 6.050 135 HH12 ARG 20 2HH1 ARG 20 -10.224 1.518 7.043 136 HH21 ARG 20 1HH2 ARG 20 -6.956 0.193 7.129 137 HH22 ARG 20 2HH2 ARG 20 -8.553 0.005 7.703 138 H CYS 21 HN CYS 21 -4.466 3.797 0.910 139 HA CYS 21 HA CYS 21 -6.674 4.984 -0.587 140 HB2 CYS 21 2HB CYS 21 -3.875 6.099 -0.182 141 HB3 CYS 21 1HB CYS 21 -5.166 6.872 -1.096 142 H CYS 22 HN CYS 22 -3.161 4.278 -1.043 143 HA CYS 22 HA CYS 22 -3.876 3.049 -3.569 144 HB2 CYS 22 2HB CYS 22 -1.498 3.531 -4.216 145 HB3 CYS 22 1HB CYS 22 -2.445 4.960 -3.848 146 HN1 NH2 23 1H CYS 22 -4.071 0.936 -3.281 147 HN2 NH2 23 2H CYS 22 -3.056 -0.047 -2.273 Start of MODEL 9 1 H1 ARG 1 1HT ARG 1 -1.870 5.074 8.237 2 H2 ARG 1 2HT ARG 1 -2.128 5.636 6.679 3 H3 ARG 1 3HT ARG 1 -0.780 6.139 7.552 4 HA ARG 1 HA ARG 1 0.154 4.014 7.556 5 HB2 ARG 1 2HB ARG 1 -2.212 3.206 5.853 6 HB3 ARG 1 1HB ARG 1 -0.786 2.220 6.129 7 HG2 ARG 1 2HG ARG 1 -2.785 3.106 8.193 8 HG3 ARG 1 1HG ARG 1 -2.529 1.473 7.580 9 HD2 ARG 1 2HD ARG 1 -0.277 1.440 8.537 10 HD3 ARG 1 1HD ARG 1 -0.489 3.102 9.084 11 HE ARG 1 HE ARG 1 -2.498 1.413 10.011 12 HH11 ARG 1 1HH1 ARG 1 0.826 2.502 10.601 13 HH12 ARG 1 2HH1 ARG 1 0.851 2.115 12.248 14 HH21 ARG 1 1HH2 ARG 1 -2.493 0.851 12.335 15 HH22 ARG 1 2HH2 ARG 1 -1.098 1.148 13.252 16 H GLY 2 HN GLY 2 1.463 3.213 5.726 17 HA2 GLY 2 2HA GLY 2 2.266 5.413 4.241 18 HA3 GLY 2 1HA GLY 2 2.890 3.788 4.126 19 H CYS 3 HN CYS 3 -0.086 3.141 3.448 20 HA CYS 3 HA CYS 3 0.249 3.346 0.585 21 HB2 CYS 3 2HB CYS 3 -2.196 2.368 2.063 22 HB3 CYS 3 1HB CYS 3 -1.643 1.944 0.447 23 H CYS 4 HN CYS 4 -0.473 5.484 2.680 24 HA CYS 4 HA CYS 4 -2.156 7.021 0.864 25 HB2 CYS 4 2HB CYS 4 -2.018 7.339 3.875 26 HB3 CYS 4 1HB CYS 4 -3.098 8.176 2.760 27 H ASN 5 HN ASN 5 0.482 6.910 3.193 28 HA ASN 5 HA ASN 5 2.120 8.659 1.700 29 HB2 ASN 5 2HB ASN 5 0.502 10.239 2.830 30 HB3 ASN 5 1HB ASN 5 1.151 9.704 4.364 31 HD21 ASN 5 1HD2 ASN 5 1.180 12.360 3.204 32 HD22 ASN 5 2HD2 ASN 5 2.837 12.846 3.114 33 H GLY 6 HN GLY 6 4.006 7.601 2.034 34 HA2 GLY 6 2HA GLY 6 5.956 7.283 3.338 35 HA3 GLY 6 1HA GLY 6 4.978 7.399 4.784 36 H ARG 7 HN ARG 7 5.548 5.255 2.025 37 HA ARG 7 HA ARG 7 5.595 2.997 3.882 38 HB2 ARG 7 2HB ARG 7 3.404 3.130 2.429 39 HB3 ARG 7 1HB ARG 7 4.475 2.896 1.084 40 HG2 ARG 7 2HG ARG 7 3.336 0.847 1.586 41 HG3 ARG 7 1HG ARG 7 5.056 0.667 1.859 42 HD2 ARG 7 2HD ARG 7 2.998 1.151 4.038 43 HD3 ARG 7 1HD ARG 7 3.590 -0.439 3.581 44 HE ARG 7 HE ARG 7 5.621 1.452 4.365 45 HH11 ARG 7 1HH1 ARG 7 3.456 -1.146 5.495 46 HH12 ARG 7 2HH1 ARG 7 4.408 -1.500 6.847 47 HH21 ARG 7 1HH2 ARG 7 6.873 0.937 6.268 48 HH22 ARG 7 2HH2 ARG 7 6.368 -0.320 7.293 49 H GLY 8 HN GLY 8 6.725 1.040 2.256 50 HA2 GLY 8 2HA GLY 8 9.164 2.096 1.268 51 HA3 GLY 8 1HA GLY 8 8.550 0.458 1.034 52 H GLY 9 HN GLY 9 6.076 1.274 -0.072 53 HA2 GLY 9 2HA GLY 9 6.211 3.058 -2.178 54 HA3 GLY 9 1HA GLY 9 6.632 1.454 -2.785 55 H CYS 10 HN CYS 10 4.236 3.008 -3.346 56 HA CYS 10 HA CYS 10 2.083 1.733 -1.947 57 HB2 CYS 10 2HB CYS 10 1.738 3.953 -2.913 58 HB3 CYS 10 1HB CYS 10 2.103 3.347 -4.521 59 H SER 11 HN SER 11 4.137 0.842 -4.453 60 HA SER 11 HA SER 11 2.357 -1.056 -5.679 61 HB2 SER 11 2HB SER 11 4.191 0.142 -6.923 62 HB3 SER 11 1HB SER 11 5.360 -0.796 -5.999 63 HG SER 11 HG SER 11 4.107 -1.441 -8.220 64 H SER 12 HN SER 12 3.880 -0.968 -2.761 65 HA SER 12 HA SER 12 5.024 -3.537 -2.571 66 HB2 SER 12 2HB SER 12 5.673 -1.785 -1.021 67 HB3 SER 12 1HB SER 12 4.002 -1.663 -0.441 68 HG SER 12 HG SER 12 5.790 -3.838 -0.149 69 H ARG 13 HN ARG 13 4.255 -5.189 -1.313 70 HA ARG 13 HA ARG 13 1.630 -6.063 -2.018 71 HB2 ARG 13 2HB ARG 13 3.497 -7.658 -1.775 72 HB3 ARG 13 1HB ARG 13 3.600 -7.272 -0.069 73 HG2 ARG 13 2HG ARG 13 1.361 -8.195 0.283 74 HG3 ARG 13 1HG ARG 13 1.272 -8.606 -1.430 75 HD2 ARG 13 2HD ARG 13 3.386 -9.617 0.456 76 HD3 ARG 13 1HD ARG 13 1.917 -10.501 0.058 77 HE ARG 13 HE ARG 13 2.905 -10.084 -2.353 78 HH11 ARG 13 1HH1 ARG 13 4.712 -11.051 0.536 79 HH12 ARG 13 2HH1 ARG 13 5.717 -12.152 -0.261 80 HH21 ARG 13 1HH2 ARG 13 4.276 -11.564 -3.466 81 HH22 ARG 13 2HH2 ARG 13 5.487 -12.438 -2.650 82 H TRP 14 HN TRP 14 3.066 -4.566 0.729 83 HA TRP 14 HA TRP 14 1.097 -4.983 2.710 84 HB2 TRP 14 2HB TRP 14 3.476 -3.791 2.760 85 HB3 TRP 14 1HB TRP 14 2.530 -2.359 2.389 86 HD1 TRP 14 1HD TRP 14 3.578 -4.579 5.167 87 HE1 TRP 14 1HE TRP 14 2.561 -3.789 7.403 88 HE3 TRP 14 3HE TRP 14 0.233 -1.148 3.398 89 HZ2 TRP 14 2HZ TRP 14 0.620 -1.975 8.291 90 HZ3 TRP 14 3HZ TRP 14 -1.161 0.062 5.007 91 HH2 TRP 14 2HH TRP 14 -0.967 -0.346 7.411 92 H CYS 15 HN CYS 15 1.435 -2.453 0.291 93 HA CYS 15 HA CYS 15 -1.027 -1.231 0.987 94 HB2 CYS 15 2HB CYS 15 0.940 -0.929 -1.185 95 HB3 CYS 15 1HB CYS 15 -0.515 0.070 -1.018 96 H ARG 16 HN ARG 16 -0.123 -3.761 -0.924 97 HA ARG 16 HA ARG 16 -2.345 -3.532 -2.741 98 HB2 ARG 16 2HB ARG 16 -0.139 -4.613 -3.295 99 HB3 ARG 16 1HB ARG 16 -0.602 -5.930 -2.239 100 HG2 ARG 16 2HG ARG 16 -2.407 -6.548 -3.650 101 HG3 ARG 16 1HG ARG 16 -2.207 -5.094 -4.633 102 HD2 ARG 16 2HD ARG 16 -0.200 -7.322 -4.338 103 HD3 ARG 16 1HD ARG 16 -1.230 -7.034 -5.744 104 HE ARG 16 HE ARG 16 0.407 -4.793 -5.004 105 HH11 ARG 16 1HH1 ARG 16 0.298 -7.736 -6.951 106 HH12 ARG 16 2HH1 ARG 16 1.529 -7.249 -8.023 107 HH21 ARG 16 1HH2 ARG 16 2.088 -4.099 -6.447 108 HH22 ARG 16 2HH2 ARG 16 2.559 -5.117 -7.738 109 H ASP 17 HN ASP 17 -1.542 -5.321 0.176 110 HA ASP 17 HA ASP 17 -4.104 -6.731 0.149 111 HB2 ASP 17 2HB ASP 17 -1.815 -7.725 0.917 112 HB3 ASP 17 1HB ASP 17 -2.097 -6.803 2.376 113 H HIS 18 HN HIS 18 -2.395 -4.277 2.009 114 HA HIS 18 HA HIS 18 -4.705 -3.897 3.793 115 HB2 HIS 18 2HB HIS 18 -1.913 -2.784 4.196 116 HB3 HIS 18 1HB HIS 18 -3.165 -3.023 5.401 117 HD1 HIS 18 1HD HIS 18 -3.731 -5.945 5.326 118 HD2 HIS 18 2HD HIS 18 0.067 -4.469 4.662 119 HE1 HIS 18 1HE HIS 18 -2.164 -7.851 5.822 120 H ALA 19 HN ALA 19 -4.721 -2.964 1.183 121 HA ALA 19 HA ALA 19 -3.785 -0.382 0.696 122 HB1 ALA 19 1HB ALA 19 -4.588 -1.885 -1.045 123 HB2 ALA 19 2HB ALA 19 -5.339 -0.291 -1.110 124 HB3 ALA 19 3HB ALA 19 -6.247 -1.665 -0.463 125 H ARG 20 HN ARG 20 -4.199 1.019 2.294 126 HA ARG 20 HA ARG 20 -6.859 1.487 3.268 127 HB2 ARG 20 2HB ARG 20 -4.343 3.124 3.639 128 HB3 ARG 20 1HB ARG 20 -5.863 3.412 4.472 129 HG2 ARG 20 2HG ARG 20 -4.133 0.953 4.717 130 HG3 ARG 20 1HG ARG 20 -4.321 2.227 5.921 131 HD2 ARG 20 2HD ARG 20 -6.477 0.353 4.937 132 HD3 ARG 20 1HD ARG 20 -5.676 0.295 6.503 133 HE ARG 20 HE ARG 20 -6.632 2.699 6.658 134 HH11 ARG 20 1HH1 ARG 20 -8.313 -0.093 5.225 135 HH12 ARG 20 2HH1 ARG 20 -9.857 0.418 5.704 136 HH21 ARG 20 1HH2 ARG 20 -8.748 3.393 7.294 137 HH22 ARG 20 2HH2 ARG 20 -10.117 2.419 6.945 138 H CYS 21 HN CYS 21 -4.595 3.513 1.407 139 HA CYS 21 HA CYS 21 -6.953 4.800 0.270 140 HB2 CYS 21 2HB CYS 21 -4.095 5.806 0.326 141 HB3 CYS 21 1HB CYS 21 -5.495 6.697 -0.266 142 H CYS 22 HN CYS 22 -3.565 4.194 -0.896 143 HA CYS 22 HA CYS 22 -4.816 3.322 -3.349 144 HB2 CYS 22 2HB CYS 22 -2.676 3.667 -4.440 145 HB3 CYS 22 1HB CYS 22 -3.113 5.123 -3.568 146 HN1 NH2 23 1H CYS 22 -5.024 1.258 -3.693 147 HN2 NH2 23 2H CYS 22 -4.160 0.011 -2.864 Start of MODEL 10 1 H1 ARG 1 1HT ARG 1 -1.610 2.441 8.089 2 H2 ARG 1 2HT ARG 1 -0.922 3.600 9.080 3 H3 ARG 1 3HT ARG 1 -0.780 1.978 9.491 4 HA ARG 1 HA ARG 1 1.259 2.884 8.600 5 HB2 ARG 1 2HB ARG 1 0.593 0.479 8.244 6 HB3 ARG 1 1HB ARG 1 -0.099 0.949 6.705 7 HG2 ARG 1 2HG ARG 1 2.079 -0.137 6.467 8 HG3 ARG 1 1HG ARG 1 2.081 1.510 5.844 9 HD2 ARG 1 2HD ARG 1 4.120 0.996 7.090 10 HD3 ARG 1 1HD ARG 1 3.210 2.295 7.848 11 HE ARG 1 HE ARG 1 2.552 -0.194 9.036 12 HH11 ARG 1 1HH1 ARG 1 5.310 2.064 8.852 13 HH12 ARG 1 2HH1 ARG 1 5.785 1.778 10.459 14 HH21 ARG 1 1HH2 ARG 1 3.267 -0.571 11.220 15 HH22 ARG 1 2HH2 ARG 1 4.615 0.274 11.825 16 H GLY 2 HN GLY 2 2.366 3.719 6.576 17 HA2 GLY 2 2HA GLY 2 0.874 5.968 5.647 18 HA3 GLY 2 1HA GLY 2 2.508 5.533 5.305 19 H CYS 3 HN CYS 3 -0.364 3.732 4.577 20 HA CYS 3 HA CYS 3 0.564 3.724 1.822 21 HB2 CYS 3 2HB CYS 3 -1.897 2.331 2.925 22 HB3 CYS 3 1HB CYS 3 -1.289 2.186 1.289 23 H CYS 4 HN CYS 4 -1.127 5.795 3.596 24 HA CYS 4 HA CYS 4 -2.264 7.003 1.158 25 HB2 CYS 4 2HB CYS 4 -2.878 7.775 4.039 26 HB3 CYS 4 1HB CYS 4 -3.674 8.362 2.596 27 H ASN 5 HN ASN 5 -0.042 7.182 3.753 28 HA ASN 5 HA ASN 5 0.646 9.924 3.434 29 HB2 ASN 5 2HB ASN 5 0.731 8.958 5.647 30 HB3 ASN 5 1HB ASN 5 1.890 7.753 5.107 31 HD21 ASN 5 1HD2 ASN 5 1.412 11.105 5.886 32 HD22 ASN 5 2HD2 ASN 5 3.075 11.496 6.079 33 H GLY 6 HN GLY 6 2.356 6.835 2.820 34 HA2 GLY 6 2HA GLY 6 3.582 7.092 0.576 35 HA3 GLY 6 1HA GLY 6 4.465 8.324 1.469 36 H ARG 7 HN ARG 7 3.481 4.939 1.709 37 HA ARG 7 HA ARG 7 5.646 4.292 3.517 38 HB2 ARG 7 2HB ARG 7 3.295 3.163 3.371 39 HB3 ARG 7 1HB ARG 7 3.956 2.289 1.993 40 HG2 ARG 7 2HG ARG 7 5.827 1.611 3.681 41 HG3 ARG 7 1HG ARG 7 4.636 2.116 4.883 42 HD2 ARG 7 2HD ARG 7 4.408 -0.287 4.514 43 HD3 ARG 7 1HD ARG 7 3.012 0.546 3.853 44 HE ARG 7 HE ARG 7 3.927 0.322 1.694 45 HH11 ARG 7 1HH1 ARG 7 5.518 -1.704 4.191 46 HH12 ARG 7 2HH1 ARG 7 6.147 -2.794 3.056 47 HH21 ARG 7 1HH2 ARG 7 4.874 -1.167 0.203 48 HH22 ARG 7 2HH2 ARG 7 5.800 -2.496 0.779 49 H GLY 8 HN GLY 8 7.039 2.213 2.674 50 HA2 GLY 8 2HA GLY 8 8.390 2.984 0.317 51 HA3 GLY 8 1HA GLY 8 8.679 1.538 1.265 52 H GLY 9 HN GLY 9 6.400 2.898 -1.048 53 HA2 GLY 9 2HA GLY 9 6.006 1.944 -3.169 54 HA3 GLY 9 1HA GLY 9 6.555 0.398 -2.571 55 H CYS 10 HN CYS 10 4.118 1.642 -3.893 56 HA CYS 10 HA CYS 10 1.968 0.748 -2.143 57 HB2 CYS 10 2HB CYS 10 1.868 2.047 -4.871 58 HB3 CYS 10 1HB CYS 10 0.463 1.625 -3.907 59 H SER 11 HN SER 11 3.789 -0.282 -4.837 60 HA SER 11 HA SER 11 1.874 -2.249 -5.724 61 HB2 SER 11 2HB SER 11 3.486 -1.116 -7.306 62 HB3 SER 11 1HB SER 11 4.797 -1.976 -6.508 63 HG SER 11 HG SER 11 3.386 -3.937 -7.100 64 H SER 12 HN SER 12 4.400 -1.965 -3.476 65 HA SER 12 HA SER 12 4.986 -4.701 -3.144 66 HB2 SER 12 2HB SER 12 6.367 -2.761 -2.285 67 HB3 SER 12 1HB SER 12 5.091 -2.525 -1.082 68 HG SER 12 HG SER 12 6.759 -4.771 -1.397 69 H ARG 13 HN ARG 13 4.324 -5.909 -1.258 70 HA ARG 13 HA ARG 13 1.586 -6.362 -1.612 71 HB2 ARG 13 2HB ARG 13 3.409 -7.689 0.364 72 HB3 ARG 13 1HB ARG 13 1.774 -8.208 -0.003 73 HG2 ARG 13 2HG ARG 13 2.414 -8.543 -2.349 74 HG3 ARG 13 1HG ARG 13 4.072 -8.095 -1.953 75 HD2 ARG 13 2HD ARG 13 2.512 -10.415 -0.842 76 HD3 ARG 13 1HD ARG 13 3.810 -10.508 -2.030 77 HE ARG 13 HE ARG 13 5.001 -9.295 0.039 78 HH11 ARG 13 1HH1 ARG 13 3.113 -12.293 -0.221 79 HH12 ARG 13 2HH1 ARG 13 3.870 -13.044 1.105 80 HH21 ARG 13 1HH2 ARG 13 6.022 -10.367 1.897 81 HH22 ARG 13 2HH2 ARG 13 5.503 -11.936 2.329 82 H TRP 14 HN TRP 14 3.076 -4.589 0.987 83 HA TRP 14 HA TRP 14 0.886 -4.905 2.806 84 HB2 TRP 14 2HB TRP 14 3.346 -3.852 3.171 85 HB3 TRP 14 1HB TRP 14 2.474 -2.361 2.846 86 HD1 TRP 14 1HD TRP 14 3.378 -4.622 5.531 87 HE1 TRP 14 1HE TRP 14 2.033 -4.186 7.703 88 HE3 TRP 14 3HE TRP 14 -0.168 -1.466 3.673 89 HZ2 TRP 14 2HZ TRP 14 -0.188 -2.680 8.501 90 HZ3 TRP 14 3HZ TRP 14 -1.857 -0.568 5.198 91 HH2 TRP 14 2HH TRP 14 -1.864 -1.161 7.567 92 H CYS 15 HN CYS 15 1.722 -2.114 0.822 93 HA CYS 15 HA CYS 15 -0.811 -0.941 1.190 94 HB2 CYS 15 2HB CYS 15 1.409 -0.480 -0.685 95 HB3 CYS 15 1HB CYS 15 -0.020 0.559 -0.532 96 H ARG 16 HN ARG 16 0.366 -3.323 -0.850 97 HA ARG 16 HA ARG 16 -1.620 -2.936 -2.879 98 HB2 ARG 16 2HB ARG 16 0.418 -4.138 -3.450 99 HB3 ARG 16 1HB ARG 16 0.050 -5.350 -2.232 100 HG2 ARG 16 2HG ARG 16 -0.416 -6.111 -4.533 101 HG3 ARG 16 1HG ARG 16 -1.832 -6.135 -3.486 102 HD2 ARG 16 2HD ARG 16 -2.337 -5.287 -5.721 103 HD3 ARG 16 1HD ARG 16 -2.637 -4.082 -4.477 104 HE ARG 16 HE ARG 16 -0.442 -3.130 -5.125 105 HH11 ARG 16 1HH1 ARG 16 -2.299 -5.054 -7.453 106 HH12 ARG 16 2HH1 ARG 16 -1.705 -4.222 -8.814 107 HH21 ARG 16 1HH2 ARG 16 0.351 -1.959 -7.067 108 HH22 ARG 16 2HH2 ARG 16 -0.172 -2.485 -8.591 109 H ASP 17 HN ASP 17 -1.350 -5.034 -0.053 110 HA ASP 17 HA ASP 17 -3.954 -6.186 -0.613 111 HB2 ASP 17 2HB ASP 17 -1.940 -7.421 0.484 112 HB3 ASP 17 1HB ASP 17 -2.367 -6.500 1.890 113 H HIS 18 HN HIS 18 -2.434 -4.264 1.912 114 HA HIS 18 HA HIS 18 -4.988 -3.915 3.287 115 HB2 HIS 18 2HB HIS 18 -2.324 -2.909 4.263 116 HB3 HIS 18 1HB HIS 18 -3.718 -3.408 5.199 117 HD1 HIS 18 1HD HIS 18 -4.093 -6.233 4.952 118 HD2 HIS 18 2HD HIS 18 -0.338 -4.632 4.352 119 HE1 HIS 18 1HE HIS 18 -2.485 -8.156 5.195 120 H ALA 19 HN ALA 19 -4.345 -2.600 0.787 121 HA ALA 19 HA ALA 19 -3.397 0.008 0.971 122 HB1 ALA 19 1HB ALA 19 -5.506 -1.068 -0.890 123 HB2 ALA 19 2HB ALA 19 -3.758 -1.146 -1.136 124 HB3 ALA 19 3HB ALA 19 -4.576 0.418 -1.103 125 H ARG 20 HN ARG 20 -4.231 1.512 2.320 126 HA ARG 20 HA ARG 20 -7.094 1.667 2.652 127 HB2 ARG 20 2HB ARG 20 -5.643 2.088 4.606 128 HB3 ARG 20 1HB ARG 20 -4.904 3.439 3.768 129 HG2 ARG 20 2HG ARG 20 -6.565 4.129 5.472 130 HG3 ARG 20 1HG ARG 20 -6.956 4.694 3.850 131 HD2 ARG 20 2HD ARG 20 -8.929 3.843 5.074 132 HD3 ARG 20 1HD ARG 20 -8.612 2.949 3.591 133 HE ARG 20 HE ARG 20 -7.412 1.786 5.899 134 HH11 ARG 20 1HH1 ARG 20 -10.440 1.964 4.049 135 HH12 ARG 20 2HH1 ARG 20 -11.051 0.479 4.598 136 HH21 ARG 20 1HH2 ARG 20 -8.261 -0.307 6.641 137 HH22 ARG 20 2HH2 ARG 20 -9.767 -0.859 6.087 138 H CYS 21 HN CYS 21 -4.509 3.300 0.967 139 HA CYS 21 HA CYS 21 -6.541 4.756 -0.549 140 HB2 CYS 21 2HB CYS 21 -3.958 6.009 0.407 141 HB3 CYS 21 1HB CYS 21 -5.209 6.795 -0.544 142 H CYS 22 HN CYS 22 -2.933 4.566 -0.555 143 HA CYS 22 HA CYS 22 -3.024 4.190 -3.408 144 HB2 CYS 22 2HB CYS 22 -1.415 5.780 -2.332 145 HB3 CYS 22 1HB CYS 22 -0.655 4.417 -1.525 146 HN1 NH2 23 1H CYS 22 -3.691 2.154 -3.802 147 HN2 NH2 23 2H CYS 22 -2.918 0.728 -3.215 Start of MODEL 11 1 H1 ARG 1 1HT ARG 1 0.445 3.849 9.074 2 H2 ARG 1 2HT ARG 1 1.980 3.362 8.617 3 H3 ARG 1 3HT ARG 1 1.046 2.352 9.579 4 HA ARG 1 HA ARG 1 1.191 1.685 7.261 5 HB2 ARG 1 2HB ARG 1 -1.302 1.484 6.857 6 HB3 ARG 1 1HB ARG 1 -0.692 0.806 8.346 7 HG2 ARG 1 2HG ARG 1 -1.470 2.898 9.501 8 HG3 ARG 1 1HG ARG 1 -2.242 3.360 7.980 9 HD2 ARG 1 2HD ARG 1 -3.816 2.235 9.483 10 HD3 ARG 1 1HD ARG 1 -3.549 1.307 8.003 11 HE ARG 1 HE ARG 1 -1.835 0.586 10.186 12 HH11 ARG 1 1HH1 ARG 1 -4.954 -0.031 8.695 13 HH12 ARG 1 2HH1 ARG 1 -5.148 -1.599 9.305 14 HH21 ARG 1 1HH2 ARG 1 -2.003 -1.606 11.008 15 HH22 ARG 1 2HH2 ARG 1 -3.364 -2.546 10.660 16 H GLY 2 HN GLY 2 2.239 2.916 5.832 17 HA2 GLY 2 2HA GLY 2 1.117 5.431 5.024 18 HA3 GLY 2 1HA GLY 2 2.658 4.748 4.584 19 H CYS 3 HN CYS 3 -0.605 3.731 4.194 20 HA CYS 3 HA CYS 3 0.009 3.179 1.376 21 HB2 CYS 3 2HB CYS 3 -2.396 2.375 2.990 22 HB3 CYS 3 1HB CYS 3 -2.149 1.980 1.292 23 H CYS 4 HN CYS 4 -0.760 5.665 2.902 24 HA CYS 4 HA CYS 4 -2.148 6.801 0.592 25 HB2 CYS 4 2HB CYS 4 -2.311 7.895 3.428 26 HB3 CYS 4 1HB CYS 4 -3.198 8.466 2.023 27 H ASN 5 HN ASN 5 0.142 7.199 3.184 28 HA ASN 5 HA ASN 5 2.202 8.100 1.489 29 HB2 ASN 5 2HB ASN 5 0.962 10.187 1.772 30 HB3 ASN 5 1HB ASN 5 1.040 10.023 3.510 31 HD21 ASN 5 1HD2 ASN 5 2.980 10.697 0.653 32 HD22 ASN 5 2HD2 ASN 5 4.314 11.366 1.501 33 H GLY 6 HN GLY 6 3.800 6.918 2.364 34 HA2 GLY 6 2HA GLY 6 5.198 7.177 4.554 35 HA3 GLY 6 1HA GLY 6 3.770 6.466 5.280 36 H ARG 7 HN ARG 7 4.575 5.235 2.150 37 HA ARG 7 HA ARG 7 6.053 3.078 3.381 38 HB2 ARG 7 2HB ARG 7 3.801 2.991 1.429 39 HB3 ARG 7 1HB ARG 7 5.041 1.753 1.357 40 HG2 ARG 7 2HG ARG 7 3.220 2.365 3.702 41 HG3 ARG 7 1HG ARG 7 3.014 1.033 2.569 42 HD2 ARG 7 2HD ARG 7 4.028 0.110 4.535 43 HD3 ARG 7 1HD ARG 7 5.283 0.204 3.313 44 HE ARG 7 HE ARG 7 5.172 2.553 4.872 45 HH11 ARG 7 1HH1 ARG 7 6.505 -0.715 4.814 46 HH12 ARG 7 2HH1 ARG 7 7.670 -0.411 6.017 47 HH21 ARG 7 1HH2 ARG 7 6.755 2.969 6.527 48 HH22 ARG 7 2HH2 ARG 7 7.829 1.735 7.000 49 H GLY 8 HN GLY 8 7.099 1.801 1.363 50 HA2 GLY 8 2HA GLY 8 8.798 3.675 0.028 51 HA3 GLY 8 1HA GLY 8 8.799 1.924 -0.176 52 H GLY 9 HN GLY 9 5.962 1.800 -0.792 53 HA2 GLY 9 2HA GLY 9 5.263 3.482 -2.906 54 HA3 GLY 9 1HA GLY 9 6.021 2.028 -3.551 55 H CYS 10 HN CYS 10 3.489 2.362 -4.262 56 HA CYS 10 HA CYS 10 1.696 1.160 -2.345 57 HB2 CYS 10 2HB CYS 10 1.203 1.849 -5.241 58 HB3 CYS 10 1HB CYS 10 -0.016 1.493 -4.023 59 H SER 11 HN SER 11 3.876 0.030 -4.656 60 HA SER 11 HA SER 11 2.336 -2.308 -5.379 61 HB2 SER 11 2HB SER 11 3.947 -1.100 -6.962 62 HB3 SER 11 1HB SER 11 5.258 -1.790 -6.010 63 HG SER 11 HG SER 11 3.330 -3.050 -7.602 64 H SER 12 HN SER 12 3.936 -1.397 -2.716 65 HA SER 12 HA SER 12 5.396 -3.731 -1.990 66 HB2 SER 12 2HB SER 12 5.508 -1.331 -0.978 67 HB3 SER 12 1HB SER 12 4.027 -1.842 -0.145 68 HG SER 12 HG SER 12 6.322 -3.424 0.020 69 H ARG 13 HN ARG 13 4.624 -5.249 -0.424 70 HA ARG 13 HA ARG 13 2.065 -6.243 -1.219 71 HB2 ARG 13 2HB ARG 13 2.396 -8.163 0.222 72 HB3 ARG 13 1HB ARG 13 3.862 -7.822 -0.671 73 HG2 ARG 13 2HG ARG 13 4.939 -6.976 1.266 74 HG3 ARG 13 1HG ARG 13 3.424 -6.950 2.173 75 HD2 ARG 13 2HD ARG 13 4.786 -9.419 1.105 76 HD3 ARG 13 1HD ARG 13 4.854 -8.860 2.777 77 HE ARG 13 HE ARG 13 2.263 -9.021 2.477 78 HH11 ARG 13 1HH1 ARG 13 4.711 -11.364 1.418 79 HH12 ARG 13 2HH1 ARG 13 3.690 -12.715 1.594 80 HH21 ARG 13 1HH2 ARG 13 0.882 -10.897 2.747 81 HH22 ARG 13 2HH2 ARG 13 1.469 -12.441 2.382 82 H TRP 14 HN TRP 14 3.055 -4.336 1.403 83 HA TRP 14 HA TRP 14 0.880 -4.840 3.167 84 HB2 TRP 14 2HB TRP 14 3.208 -3.451 3.406 85 HB3 TRP 14 1HB TRP 14 2.116 -2.121 3.052 86 HD1 TRP 14 1HD TRP 14 3.340 -4.239 5.773 87 HE1 TRP 14 1HE TRP 14 2.040 -3.820 7.969 88 HE3 TRP 14 3HE TRP 14 -0.449 -1.413 3.916 89 HZ2 TRP 14 2HZ TRP 14 -0.280 -2.456 8.776 90 HZ3 TRP 14 3HZ TRP 14 -2.163 -0.584 5.457 91 HH2 TRP 14 2HH TRP 14 -2.077 -1.093 7.830 92 H CYS 15 HN CYS 15 1.445 -2.156 0.962 93 HA CYS 15 HA CYS 15 -1.201 -1.223 1.168 94 HB2 CYS 15 2HB CYS 15 1.092 -0.627 -0.612 95 HB3 CYS 15 1HB CYS 15 -0.415 0.288 -0.620 96 H ARG 16 HN ARG 16 0.353 -3.520 -0.752 97 HA ARG 16 HA ARG 16 -1.373 -3.641 -2.978 98 HB2 ARG 16 2HB ARG 16 0.789 -4.846 -2.740 99 HB3 ARG 16 1HB ARG 16 0.032 -5.886 -1.549 100 HG2 ARG 16 2HG ARG 16 -1.510 -6.704 -3.284 101 HG3 ARG 16 1HG ARG 16 -0.664 -5.703 -4.471 102 HD2 ARG 16 2HD ARG 16 0.494 -7.965 -2.841 103 HD3 ARG 16 1HD ARG 16 0.224 -7.936 -4.587 104 HE ARG 16 HE ARG 16 1.824 -5.845 -4.268 105 HH11 ARG 16 1HH1 ARG 16 2.162 -9.207 -3.167 106 HH12 ARG 16 2HH1 ARG 16 3.861 -9.161 -3.105 107 HH21 ARG 16 1HH2 ARG 16 4.167 -5.788 -4.119 108 HH22 ARG 16 2HH2 ARG 16 5.019 -7.189 -3.642 109 H ASP 17 HN ASP 17 -1.517 -4.958 0.279 110 HA ASP 17 HA ASP 17 -4.031 -6.353 -0.340 111 HB2 ASP 17 2HB ASP 17 -1.994 -7.420 0.936 112 HB3 ASP 17 1HB ASP 17 -2.583 -6.462 2.246 113 H HIS 18 HN HIS 18 -2.626 -4.182 2.073 114 HA HIS 18 HA HIS 18 -5.219 -3.859 3.380 115 HB2 HIS 18 2HB HIS 18 -2.577 -2.776 4.344 116 HB3 HIS 18 1HB HIS 18 -4.004 -3.157 5.283 117 HD1 HIS 18 1HD HIS 18 -4.330 -6.198 4.449 118 HD2 HIS 18 2HD HIS 18 -0.722 -4.371 5.390 119 HE1 HIS 18 1HE HIS 18 -2.796 -8.041 5.210 120 H ALA 19 HN ALA 19 -4.563 -2.582 0.852 121 HA ALA 19 HA ALA 19 -3.728 0.060 0.940 122 HB1 ALA 19 1HB ALA 19 -4.875 0.385 -1.137 123 HB2 ALA 19 2HB ALA 19 -5.820 -1.088 -0.881 124 HB3 ALA 19 3HB ALA 19 -4.070 -1.183 -1.114 125 H ARG 20 HN ARG 20 -4.532 1.839 1.686 126 HA ARG 20 HA ARG 20 -7.396 1.982 2.348 127 HB2 ARG 20 2HB ARG 20 -5.115 3.657 3.413 128 HB3 ARG 20 1HB ARG 20 -6.803 3.893 3.821 129 HG2 ARG 20 2HG ARG 20 -5.195 1.417 4.446 130 HG3 ARG 20 1HG ARG 20 -5.522 2.720 5.580 131 HD2 ARG 20 2HD ARG 20 -7.081 0.982 6.077 132 HD3 ARG 20 1HD ARG 20 -7.985 2.235 5.235 133 HE ARG 20 HE ARG 20 -7.213 0.470 3.297 134 HH11 ARG 20 1HH1 ARG 20 -9.076 0.183 6.290 135 HH12 ARG 20 2HH1 ARG 20 -10.041 -1.097 5.754 136 HH21 ARG 20 1HH2 ARG 20 -8.492 -1.310 2.540 137 HH22 ARG 20 2HH2 ARG 20 -9.680 -2.006 3.541 138 H CYS 21 HN CYS 21 -4.752 3.832 0.835 139 HA CYS 21 HA CYS 21 -6.835 5.302 -0.620 140 HB2 CYS 21 2HB CYS 21 -4.053 6.286 0.045 141 HB3 CYS 21 1HB CYS 21 -5.344 7.209 -0.715 142 H CYS 22 HN CYS 22 -3.385 4.332 -0.811 143 HA CYS 22 HA CYS 22 -3.784 3.809 -3.657 144 HB2 CYS 22 2HB CYS 22 -2.247 5.695 -3.147 145 HB3 CYS 22 1HB CYS 22 -1.258 4.609 -2.182 146 HN1 NH2 23 1H CYS 22 -4.085 1.684 -3.786 147 HN2 NH2 23 2H CYS 22 -3.184 0.471 -2.947 Start of MODEL 12 1 H1 ARG 1 1HT ARG 1 -0.992 4.467 7.951 2 H2 ARG 1 2HT ARG 1 -1.147 3.004 8.761 3 H3 ARG 1 3HT ARG 1 -1.651 3.151 7.148 4 HA ARG 1 HA ARG 1 1.127 3.469 8.098 5 HB2 ARG 1 2HB ARG 1 -0.148 1.291 6.405 6 HB3 ARG 1 1HB ARG 1 1.565 1.405 6.755 7 HG2 ARG 1 2HG ARG 1 -0.615 0.957 8.792 8 HG3 ARG 1 1HG ARG 1 0.433 -0.286 8.125 9 HD2 ARG 1 2HD ARG 1 1.400 2.104 9.705 10 HD3 ARG 1 1HD ARG 1 1.085 0.515 10.388 11 HE ARG 1 HE ARG 1 2.953 0.571 8.193 12 HH11 ARG 1 1HH1 ARG 1 2.575 0.736 11.725 13 HH12 ARG 1 2HH1 ARG 1 4.149 0.185 12.052 14 HH21 ARG 1 1HH2 ARG 1 5.152 -0.125 8.683 15 HH22 ARG 1 2HH2 ARG 1 5.619 -0.313 10.312 16 H GLY 2 HN GLY 2 2.372 2.934 5.714 17 HA2 GLY 2 2HA GLY 2 1.905 5.422 4.352 18 HA3 GLY 2 1HA GLY 2 3.148 4.240 4.014 19 H CYS 3 HN CYS 3 -0.231 3.602 4.031 20 HA CYS 3 HA CYS 3 -0.076 2.774 1.217 21 HB2 CYS 3 2HB CYS 3 -2.422 2.434 3.079 22 HB3 CYS 3 1HB CYS 3 -2.052 1.543 1.613 23 H CYS 4 HN CYS 4 -0.413 5.399 2.665 24 HA CYS 4 HA CYS 4 -2.329 6.605 0.786 25 HB2 CYS 4 2HB CYS 4 -1.645 7.714 3.515 26 HB3 CYS 4 1HB CYS 4 -2.964 8.211 2.464 27 H ASN 5 HN ASN 5 0.486 7.001 2.830 28 HA ASN 5 HA ASN 5 2.109 8.011 0.750 29 HB2 ASN 5 2HB ASN 5 0.887 10.047 1.480 30 HB3 ASN 5 1HB ASN 5 1.446 9.781 3.119 31 HD21 ASN 5 1HD2 ASN 5 2.575 11.700 3.218 32 HD22 ASN 5 2HD2 ASN 5 4.044 11.976 2.352 33 H GLY 6 HN GLY 6 3.862 6.832 1.180 34 HA2 GLY 6 2HA GLY 6 5.736 6.894 2.927 35 HA3 GLY 6 1HA GLY 6 4.491 6.223 3.976 36 H ARG 7 HN ARG 7 5.699 4.334 4.281 37 HA ARG 7 HA ARG 7 6.361 2.154 3.881 38 HB2 ARG 7 2HB ARG 7 3.824 2.244 3.368 39 HB3 ARG 7 1HB ARG 7 4.295 2.347 1.688 40 HG2 ARG 7 2HG ARG 7 3.501 0.134 2.284 41 HG3 ARG 7 1HG ARG 7 5.181 0.046 1.807 42 HD2 ARG 7 2HD ARG 7 4.279 0.211 4.675 43 HD3 ARG 7 1HD ARG 7 4.487 -1.317 3.838 44 HE ARG 7 HE ARG 7 6.785 0.341 3.645 45 HH11 ARG 7 1HH1 ARG 7 5.067 -1.787 5.891 46 HH12 ARG 7 2HH1 ARG 7 6.472 -2.368 6.653 47 HH21 ARG 7 1HH2 ARG 7 8.729 -0.455 4.702 48 HH22 ARG 7 2HH2 ARG 7 8.589 -1.582 5.978 49 H GLY 8 HN GLY 8 6.436 0.859 1.177 50 HA2 GLY 8 2HA GLY 8 8.506 2.512 -0.040 51 HA3 GLY 8 1HA GLY 8 8.296 0.770 -0.272 52 H GLY 9 HN GLY 9 5.789 3.191 -0.184 53 HA2 GLY 9 2HA GLY 9 4.515 4.077 -1.881 54 HA3 GLY 9 1HA GLY 9 5.350 3.033 -3.033 55 H CYS 10 HN CYS 10 3.055 2.760 -3.705 56 HA CYS 10 HA CYS 10 1.419 1.051 -2.067 57 HB2 CYS 10 2HB CYS 10 1.115 1.864 -4.966 58 HB3 CYS 10 1HB CYS 10 -0.102 1.034 -4.006 59 H SER 11 HN SER 11 4.074 0.579 -4.017 60 HA SER 11 HA SER 11 3.458 -1.878 -5.266 61 HB2 SER 11 2HB SER 11 5.330 -0.418 -5.995 62 HB3 SER 11 1HB SER 11 6.176 -0.777 -4.493 63 HG SER 11 HG SER 11 6.629 -2.006 -6.541 64 H SER 12 HN SER 12 4.735 -1.068 -2.022 65 HA SER 12 HA SER 12 5.739 -3.462 -1.198 66 HB2 SER 12 2HB SER 12 4.153 -1.450 0.373 67 HB3 SER 12 1HB SER 12 5.414 -2.538 0.953 68 HG SER 12 HG SER 12 6.844 -1.461 -0.498 69 H ARG 13 HN ARG 13 4.807 -5.347 -0.619 70 HA ARG 13 HA ARG 13 2.293 -6.166 -1.326 71 HB2 ARG 13 2HB ARG 13 2.674 -8.171 0.027 72 HB3 ARG 13 1HB ARG 13 4.118 -7.715 -0.863 73 HG2 ARG 13 2HG ARG 13 4.995 -6.665 1.199 74 HG3 ARG 13 1HG ARG 13 3.584 -7.266 2.067 75 HD2 ARG 13 2HD ARG 13 5.449 -8.756 2.425 76 HD3 ARG 13 1HD ARG 13 4.234 -9.558 1.437 77 HE ARG 13 HE ARG 13 5.605 -9.200 -0.481 78 HH11 ARG 13 1HH1 ARG 13 7.279 -8.637 2.623 79 HH12 ARG 13 2HH1 ARG 13 8.829 -8.850 1.958 80 HH21 ARG 13 1HH2 ARG 13 7.739 -9.436 -1.351 81 HH22 ARG 13 2HH2 ARG 13 9.105 -9.279 -0.352 82 H TRP 14 HN TRP 14 3.198 -4.673 1.706 83 HA TRP 14 HA TRP 14 0.894 -5.271 3.251 84 HB2 TRP 14 2HB TRP 14 3.191 -4.094 3.874 85 HB3 TRP 14 1HB TRP 14 2.319 -2.631 3.445 86 HD1 TRP 14 1HD TRP 14 3.014 -4.886 6.214 87 HE1 TRP 14 1HE TRP 14 1.528 -4.368 8.269 88 HE3 TRP 14 3HE TRP 14 -0.366 -1.771 4.024 89 HZ2 TRP 14 2HZ TRP 14 -0.766 -2.871 8.854 90 HZ3 TRP 14 3HZ TRP 14 -2.167 -0.838 5.403 91 HH2 TRP 14 2HH TRP 14 -2.356 -1.373 7.759 92 H CYS 15 HN CYS 15 1.676 -2.292 1.561 93 HA CYS 15 HA CYS 15 -0.957 -1.335 1.755 94 HB2 CYS 15 2HB CYS 15 1.482 -0.443 0.335 95 HB3 CYS 15 1HB CYS 15 -0.035 0.457 0.361 96 H ARG 16 HN ARG 16 0.750 -3.194 -0.567 97 HA ARG 16 HA ARG 16 -0.913 -2.681 -2.787 98 HB2 ARG 16 2HB ARG 16 1.243 -3.958 -2.896 99 HB3 ARG 16 1HB ARG 16 0.446 -5.290 -2.071 100 HG2 ARG 16 2HG ARG 16 -1.140 -5.464 -3.957 101 HG3 ARG 16 1HG ARG 16 -0.236 -4.208 -4.798 102 HD2 ARG 16 2HD ARG 16 0.811 -6.904 -3.938 103 HD3 ARG 16 1HD ARG 16 0.412 -6.411 -5.581 104 HE ARG 16 HE ARG 16 2.382 -4.730 -4.352 105 HH11 ARG 16 1HH1 ARG 16 1.940 -7.737 -6.170 106 HH12 ARG 16 2HH1 ARG 16 3.549 -7.828 -6.682 107 HH21 ARG 16 1HH2 ARG 16 4.557 -4.834 -5.071 108 HH22 ARG 16 2HH2 ARG 16 5.071 -6.114 -6.076 109 H ASP 17 HN ASP 17 -1.203 -4.769 0.004 110 HA ASP 17 HA ASP 17 -3.644 -6.031 -0.985 111 HB2 ASP 17 2HB ASP 17 -1.787 -7.202 0.373 112 HB3 ASP 17 1HB ASP 17 -2.377 -6.281 1.732 113 H HIS 18 HN HIS 18 -2.561 -4.054 1.739 114 HA HIS 18 HA HIS 18 -5.277 -3.721 2.752 115 HB2 HIS 18 2HB HIS 18 -2.648 -2.852 3.962 116 HB3 HIS 18 1HB HIS 18 -4.181 -2.956 4.791 117 HD1 HIS 18 1HD HIS 18 -4.581 -6.069 3.490 118 HD2 HIS 18 2HD HIS 18 -1.476 -4.528 5.784 119 HE1 HIS 18 1HE HIS 18 -3.559 -8.022 4.654 120 H ALA 19 HN ALA 19 -4.400 -2.372 0.385 121 HA ALA 19 HA ALA 19 -3.686 0.319 0.785 122 HB1 ALA 19 1HB ALA 19 -4.453 0.747 -1.459 123 HB2 ALA 19 2HB ALA 19 -5.316 -0.796 -1.487 124 HB3 ALA 19 3HB ALA 19 -3.550 -0.765 -1.389 125 H ARG 20 HN ARG 20 -4.881 1.143 2.450 126 HA ARG 20 HA ARG 20 -7.717 1.340 2.377 127 HB2 ARG 20 2HB ARG 20 -5.673 2.739 4.094 128 HB3 ARG 20 1HB ARG 20 -7.411 2.873 4.326 129 HG2 ARG 20 2HG ARG 20 -7.559 0.481 4.755 130 HG3 ARG 20 1HG ARG 20 -5.831 0.310 4.452 131 HD2 ARG 20 2HD ARG 20 -6.346 0.354 6.840 132 HD3 ARG 20 1HD ARG 20 -5.337 1.721 6.364 133 HE ARG 20 HE ARG 20 -8.023 2.475 6.252 134 HH11 ARG 20 1HH1 ARG 20 -5.667 1.549 8.723 135 HH12 ARG 20 2HH1 ARG 20 -6.253 2.622 9.908 136 HH21 ARG 20 1HH2 ARG 20 -8.875 3.910 7.884 137 HH22 ARG 20 2HH2 ARG 20 -8.129 3.994 9.419 138 H CYS 21 HN CYS 21 -5.106 3.607 1.617 139 HA CYS 21 HA CYS 21 -7.138 5.519 0.715 140 HB2 CYS 21 2HB CYS 21 -4.164 5.892 0.999 141 HB3 CYS 21 1HB CYS 21 -5.327 7.155 0.605 142 H CYS 22 HN CYS 22 -4.083 4.104 -0.405 143 HA CYS 22 HA CYS 22 -4.082 5.025 -3.014 144 HB2 CYS 22 2HB CYS 22 -2.180 4.012 -1.741 145 HB3 CYS 22 1HB CYS 22 -2.919 2.440 -1.981 146 HN1 NH2 23 1H CYS 22 -5.962 4.762 -4.149 147 HN2 NH2 23 2H CYS 22 -6.614 3.224 -4.605 Start of MODEL 13 1 H1 ARG 1 1HT ARG 1 0.825 3.512 9.081 2 H2 ARG 1 2HT ARG 1 2.119 2.559 8.545 3 H3 ARG 1 3HT ARG 1 0.810 1.841 9.321 4 HA ARG 1 HA ARG 1 0.868 1.556 6.918 5 HB2 ARG 1 2HB ARG 1 -1.509 2.136 6.537 6 HB3 ARG 1 1HB ARG 1 -1.230 1.269 8.027 7 HG2 ARG 1 2HG ARG 1 -1.410 3.427 9.253 8 HG3 ARG 1 1HG ARG 1 -1.815 4.206 7.723 9 HD2 ARG 1 2HD ARG 1 -3.816 3.575 9.051 10 HD3 ARG 1 1HD ARG 1 -3.755 2.806 7.461 11 HE ARG 1 HE ARG 1 -2.593 1.262 9.593 12 HH11 ARG 1 1HH1 ARG 1 -5.650 1.925 7.931 13 HH12 ARG 1 2HH1 ARG 1 -6.269 0.354 8.234 14 HH21 ARG 1 1HH2 ARG 1 -3.468 -0.831 9.977 15 HH22 ARG 1 2HH2 ARG 1 -5.022 -1.232 9.399 16 H GLY 2 HN GLY 2 1.539 2.401 5.089 17 HA2 GLY 2 2HA GLY 2 1.384 5.308 4.877 18 HA3 GLY 2 1HA GLY 2 2.776 4.369 4.403 19 H CYS 3 HN CYS 3 -0.533 3.590 3.841 20 HA CYS 3 HA CYS 3 0.100 3.287 1.018 21 HB2 CYS 3 2HB CYS 3 -2.460 2.558 2.447 22 HB3 CYS 3 1HB CYS 3 -1.974 2.096 0.822 23 H CYS 4 HN CYS 4 -0.766 5.724 2.801 24 HA CYS 4 HA CYS 4 -2.113 7.004 0.540 25 HB2 CYS 4 2HB CYS 4 -1.920 8.064 3.383 26 HB3 CYS 4 1HB CYS 4 -2.926 8.700 2.091 27 H ASN 5 HN ASN 5 0.372 7.247 2.971 28 HA ASN 5 HA ASN 5 2.463 7.798 1.219 29 HB2 ASN 5 2HB ASN 5 1.204 10.053 1.329 30 HB3 ASN 5 1HB ASN 5 1.746 10.150 2.988 31 HD21 ASN 5 1HD2 ASN 5 4.466 9.029 2.459 32 HD22 ASN 5 2HD2 ASN 5 5.290 10.264 1.614 33 H GLY 6 HN GLY 6 4.027 6.729 2.316 34 HA2 GLY 6 2HA GLY 6 5.224 7.213 4.637 35 HA3 GLY 6 1HA GLY 6 3.767 6.419 5.212 36 H ARG 7 HN ARG 7 3.910 4.772 2.586 37 HA ARG 7 HA ARG 7 5.805 2.841 3.631 38 HB2 ARG 7 2HB ARG 7 3.336 2.612 2.038 39 HB3 ARG 7 1HB ARG 7 4.595 1.399 1.752 40 HG2 ARG 7 2HG ARG 7 3.212 2.011 4.364 41 HG3 ARG 7 1HG ARG 7 2.826 0.663 3.296 42 HD2 ARG 7 2HD ARG 7 4.214 -0.152 5.078 43 HD3 ARG 7 1HD ARG 7 5.166 -0.147 3.593 44 HE ARG 7 HE ARG 7 5.281 2.178 5.248 45 HH11 ARG 7 1HH1 ARG 7 6.917 -0.829 4.257 46 HH12 ARG 7 2HH1 ARG 7 8.430 -0.395 4.874 47 HH21 ARG 7 1HH2 ARG 7 7.414 2.753 6.123 48 HH22 ARG 7 2HH2 ARG 7 8.730 1.682 5.938 49 H GLY 8 HN GLY 8 6.921 1.510 1.897 50 HA2 GLY 8 2HA GLY 8 8.199 3.383 0.106 51 HA3 GLY 8 1HA GLY 8 8.717 1.737 0.463 52 H GLY 9 HN GLY 9 6.063 3.480 -1.044 53 HA2 GLY 9 2HA GLY 9 5.566 3.188 -3.371 54 HA3 GLY 9 1HA GLY 9 6.229 1.563 -3.256 55 H CYS 10 HN CYS 10 3.697 2.499 -4.260 56 HA CYS 10 HA CYS 10 1.671 1.682 -2.380 57 HB2 CYS 10 2HB CYS 10 1.166 3.480 -3.944 58 HB3 CYS 10 1HB CYS 10 1.540 2.439 -5.311 59 H SER 11 HN SER 11 3.648 0.232 -4.717 60 HA SER 11 HA SER 11 1.904 -2.021 -5.135 61 HB2 SER 11 2HB SER 11 3.397 -1.095 -6.945 62 HB3 SER 11 1HB SER 11 4.779 -1.699 -6.036 63 HG SER 11 HG SER 11 2.635 -3.225 -7.085 64 H SER 12 HN SER 12 3.893 -1.074 -2.684 65 HA SER 12 HA SER 12 5.335 -3.407 -2.046 66 HB2 SER 12 2HB SER 12 5.587 -1.014 -1.062 67 HB3 SER 12 1HB SER 12 4.211 -1.505 -0.054 68 HG SER 12 HG SER 12 6.562 -3.023 -0.218 69 H ARG 13 HN ARG 13 4.807 -4.908 -0.490 70 HA ARG 13 HA ARG 13 2.360 -6.158 -0.989 71 HB2 ARG 13 2HB ARG 13 2.916 -7.815 0.729 72 HB3 ARG 13 1HB ARG 13 4.259 -7.486 -0.354 73 HG2 ARG 13 2HG ARG 13 5.370 -6.205 1.303 74 HG3 ARG 13 1HG ARG 13 3.958 -6.246 2.363 75 HD2 ARG 13 2HD ARG 13 5.574 -8.626 1.493 76 HD3 ARG 13 1HD ARG 13 5.699 -7.844 3.067 77 HE ARG 13 HE ARG 13 3.361 -9.288 2.035 78 HH11 ARG 13 1HH1 ARG 13 5.205 -8.070 4.787 79 HH12 ARG 13 2HH1 ARG 13 4.281 -8.877 5.962 80 HH21 ARG 13 1HH2 ARG 13 2.090 -10.413 3.629 81 HH22 ARG 13 2HH2 ARG 13 2.445 -10.249 5.288 82 H TRP 14 HN TRP 14 3.159 -4.089 1.746 83 HA TRP 14 HA TRP 14 0.881 -4.756 3.307 84 HB2 TRP 14 2HB TRP 14 3.030 -3.331 3.914 85 HB3 TRP 14 1HB TRP 14 2.058 -1.983 3.326 86 HD1 TRP 14 1HD TRP 14 2.666 -4.157 6.277 87 HE1 TRP 14 1HE TRP 14 1.080 -3.556 8.201 88 HE3 TRP 14 3HE TRP 14 -0.541 -1.063 3.780 89 HZ2 TRP 14 2HZ TRP 14 -1.214 -2.006 8.619 90 HZ3 TRP 14 3HZ TRP 14 -2.410 -0.075 5.021 91 HH2 TRP 14 2HH TRP 14 -2.733 -0.535 7.398 92 H CYS 15 HN CYS 15 1.467 -2.182 0.998 93 HA CYS 15 HA CYS 15 -1.168 -1.198 1.145 94 HB2 CYS 15 2HB CYS 15 1.162 -0.689 -0.645 95 HB3 CYS 15 1HB CYS 15 -0.357 0.200 -0.712 96 H ARG 16 HN ARG 16 0.463 -3.543 -0.782 97 HA ARG 16 HA ARG 16 -1.380 -3.624 -2.923 98 HB2 ARG 16 2HB ARG 16 0.853 -4.643 -3.075 99 HB3 ARG 16 1HB ARG 16 0.427 -5.779 -1.806 100 HG2 ARG 16 2HG ARG 16 -1.220 -6.819 -3.259 101 HG3 ARG 16 1HG ARG 16 -0.859 -5.651 -4.529 102 HD2 ARG 16 2HD ARG 16 1.138 -7.582 -3.347 103 HD3 ARG 16 1HD ARG 16 0.264 -7.849 -4.852 104 HE ARG 16 HE ARG 16 1.602 -5.371 -4.926 105 HH11 ARG 16 1HH1 ARG 16 2.258 -8.847 -5.171 106 HH12 ARG 16 2HH1 ARG 16 3.680 -8.664 -6.078 107 HH21 ARG 16 1HH2 ARG 16 3.560 -5.108 -6.188 108 HH22 ARG 16 2HH2 ARG 16 4.448 -6.477 -6.649 109 H ASP 17 HN ASP 17 -1.337 -4.968 0.278 110 HA ASP 17 HA ASP 17 -3.749 -6.566 -0.282 111 HB2 ASP 17 2HB ASP 17 -1.652 -7.482 0.980 112 HB3 ASP 17 1HB ASP 17 -2.282 -6.554 2.318 113 H HIS 18 HN HIS 18 -2.515 -4.199 2.060 114 HA HIS 18 HA HIS 18 -5.169 -3.937 3.270 115 HB2 HIS 18 2HB HIS 18 -2.534 -2.844 4.284 116 HB3 HIS 18 1HB HIS 18 -4.019 -3.053 5.184 117 HD1 HIS 18 1HD HIS 18 -4.360 -6.179 4.320 118 HD2 HIS 18 2HD HIS 18 -0.964 -4.366 5.869 119 HE1 HIS 18 1HE HIS 18 -3.022 -8.018 5.379 120 H ALA 19 HN ALA 19 -4.517 -2.751 0.733 121 HA ALA 19 HA ALA 19 -3.709 -0.127 0.636 122 HB1 ALA 19 1HB ALA 19 -5.982 -1.314 -0.936 123 HB2 ALA 19 2HB ALA 19 -4.261 -1.441 -1.332 124 HB3 ALA 19 3HB ALA 19 -5.054 0.135 -1.340 125 H ARG 20 HN ARG 20 -4.386 1.679 1.414 126 HA ARG 20 HA ARG 20 -7.111 1.842 2.498 127 HB2 ARG 20 2HB ARG 20 -4.682 3.460 3.295 128 HB3 ARG 20 1HB ARG 20 -6.287 3.614 3.990 129 HG2 ARG 20 2HG ARG 20 -4.474 1.211 4.170 130 HG3 ARG 20 1HG ARG 20 -4.871 2.331 5.472 131 HD2 ARG 20 2HD ARG 20 -6.768 0.448 4.059 132 HD3 ARG 20 1HD ARG 20 -6.173 0.299 5.709 133 HE ARG 20 HE ARG 20 -7.323 2.663 5.833 134 HH11 ARG 20 1HH1 ARG 20 -8.553 -0.378 4.492 135 HH12 ARG 20 2HH1 ARG 20 -10.184 0.017 4.714 136 HH21 ARG 20 1HH2 ARG 20 -9.597 3.207 6.147 137 HH22 ARG 20 2HH2 ARG 20 -10.788 2.085 5.666 138 H CYS 21 HN CYS 21 -4.662 4.045 1.107 139 HA CYS 21 HA CYS 21 -6.870 5.486 -0.149 140 HB2 CYS 21 2HB CYS 21 -3.987 6.298 0.249 141 HB3 CYS 21 1HB CYS 21 -5.223 7.297 -0.510 142 H CYS 22 HN CYS 22 -3.511 4.494 -0.956 143 HA CYS 22 HA CYS 22 -4.335 4.235 -3.714 144 HB2 CYS 22 2HB CYS 22 -2.156 5.311 -3.162 145 HB3 CYS 22 1HB CYS 22 -1.614 3.806 -2.431 146 HN1 NH2 23 1H CYS 22 -5.444 2.438 -4.044 147 HN2 NH2 23 2H CYS 22 -5.042 0.874 -3.438 Start of MODEL 14 1 H1 ARG 1 1HT ARG 1 2.287 1.891 7.910 2 H2 ARG 1 2HT ARG 1 1.196 1.174 8.941 3 H3 ARG 1 3HT ARG 1 1.401 2.857 8.943 4 HA ARG 1 HA ARG 1 0.453 1.312 6.623 5 HB2 ARG 1 2HB ARG 1 -1.764 2.403 7.083 6 HB3 ARG 1 1HB ARG 1 -1.317 1.053 8.091 7 HG2 ARG 1 2HG ARG 1 -0.760 2.497 9.924 8 HG3 ARG 1 1HG ARG 1 -0.968 3.927 8.906 9 HD2 ARG 1 2HD ARG 1 -3.122 1.942 9.554 10 HD3 ARG 1 1HD ARG 1 -2.913 3.499 10.365 11 HE ARG 1 HE ARG 1 -2.953 3.981 7.669 12 HH11 ARG 1 1HH1 ARG 1 -5.243 2.586 10.001 13 HH12 ARG 1 2HH1 ARG 1 -6.620 3.295 9.319 14 HH21 ARG 1 1HH2 ARG 1 -4.856 4.978 6.729 15 HH22 ARG 1 2HH2 ARG 1 -6.391 4.701 7.391 16 H GLY 2 HN GLY 2 1.843 2.364 5.292 17 HA2 GLY 2 2HA GLY 2 1.219 5.198 4.879 18 HA3 GLY 2 1HA GLY 2 2.714 4.423 4.410 19 H CYS 3 HN CYS 3 -0.609 3.657 4.015 20 HA CYS 3 HA CYS 3 -0.085 2.804 1.259 21 HB2 CYS 3 2HB CYS 3 -2.565 2.341 2.899 22 HB3 CYS 3 1HB CYS 3 -2.092 1.539 1.408 23 H CYS 4 HN CYS 4 -0.799 5.489 2.568 24 HA CYS 4 HA CYS 4 -2.122 6.386 0.123 25 HB2 CYS 4 2HB CYS 4 -2.289 7.779 2.820 26 HB3 CYS 4 1HB CYS 4 -3.089 8.277 1.337 27 H ASN 5 HN ASN 5 0.192 6.905 2.671 28 HA ASN 5 HA ASN 5 2.265 7.623 0.941 29 HB2 ASN 5 2HB ASN 5 0.896 9.773 1.075 30 HB3 ASN 5 1HB ASN 5 1.312 9.816 2.781 31 HD21 ASN 5 1HD2 ASN 5 2.532 11.672 2.674 32 HD22 ASN 5 2HD2 ASN 5 4.059 11.741 1.864 33 H GLY 6 HN GLY 6 3.915 6.706 1.964 34 HA2 GLY 6 2HA GLY 6 5.059 7.290 4.291 35 HA3 GLY 6 1HA GLY 6 3.727 6.304 4.856 36 H ARG 7 HN ARG 7 3.807 4.392 2.664 37 HA ARG 7 HA ARG 7 6.004 2.807 3.660 38 HB2 ARG 7 2HB ARG 7 3.673 2.301 1.906 39 HB3 ARG 7 1HB ARG 7 5.043 1.196 1.788 40 HG2 ARG 7 2HG ARG 7 3.444 1.798 4.276 41 HG3 ARG 7 1HG ARG 7 3.193 0.404 3.229 42 HD2 ARG 7 2HD ARG 7 4.519 -0.356 5.063 43 HD3 ARG 7 1HD ARG 7 5.586 -0.230 3.686 44 HE ARG 7 HE ARG 7 5.466 2.138 5.216 45 HH11 ARG 7 1HH1 ARG 7 7.059 -1.015 4.984 46 HH12 ARG 7 2HH1 ARG 7 8.442 -0.562 5.848 47 HH21 ARG 7 1HH2 ARG 7 7.414 2.764 6.464 48 HH22 ARG 7 2HH2 ARG 7 8.651 1.617 6.685 49 H GLY 8 HN GLY 8 7.063 1.388 1.766 50 HA2 GLY 8 2HA GLY 8 8.548 3.324 0.218 51 HA3 GLY 8 1HA GLY 8 8.869 1.596 0.318 52 H GLY 9 HN GLY 9 6.420 3.826 -0.819 53 HA2 GLY 9 2HA GLY 9 5.552 3.962 -2.982 54 HA3 GLY 9 1HA GLY 9 6.219 2.371 -3.329 55 H CYS 10 HN CYS 10 3.582 3.141 -3.908 56 HA CYS 10 HA CYS 10 1.894 1.944 -1.884 57 HB2 CYS 10 2HB CYS 10 1.212 2.993 -4.624 58 HB3 CYS 10 1HB CYS 10 0.070 2.520 -3.372 59 H SER 11 HN SER 11 3.814 0.787 -4.287 60 HA SER 11 HA SER 11 2.038 -1.366 -5.088 61 HB2 SER 11 2HB SER 11 3.427 -0.281 -6.835 62 HB3 SER 11 1HB SER 11 4.886 -0.753 -5.969 63 HG SER 11 HG SER 11 4.054 -2.934 -6.189 64 H SER 12 HN SER 12 3.480 -0.874 -2.345 65 HA SER 12 HA SER 12 5.089 -3.152 -1.983 66 HB2 SER 12 2HB SER 12 4.696 -2.376 0.416 67 HB3 SER 12 1HB SER 12 5.532 -1.240 -0.655 68 HG SER 12 HG SER 12 3.944 0.099 -0.372 69 H ARG 13 HN ARG 13 4.394 -5.097 -1.035 70 HA ARG 13 HA ARG 13 1.771 -5.906 -1.592 71 HB2 ARG 13 2HB ARG 13 3.898 -7.211 0.087 72 HB3 ARG 13 1HB ARG 13 2.316 -7.934 -0.139 73 HG2 ARG 13 2HG ARG 13 2.697 -7.956 -2.569 74 HG3 ARG 13 1HG ARG 13 4.309 -7.287 -2.298 75 HD2 ARG 13 2HD ARG 13 4.983 -9.226 -1.080 76 HD3 ARG 13 1HD ARG 13 3.343 -9.869 -1.082 77 HE ARG 13 HE ARG 13 4.313 -9.443 -3.716 78 HH11 ARG 13 1HH1 ARG 13 4.562 -11.724 -1.006 79 HH12 ARG 13 2HH1 ARG 13 4.846 -13.076 -1.998 80 HH21 ARG 13 1HH2 ARG 13 4.705 -11.293 -5.062 81 HH22 ARG 13 2HH2 ARG 13 4.919 -12.826 -4.368 82 H TRP 14 HN TRP 14 3.136 -4.655 1.305 83 HA TRP 14 HA TRP 14 1.080 -5.144 3.200 84 HB2 TRP 14 2HB TRP 14 3.479 -3.986 3.380 85 HB3 TRP 14 1HB TRP 14 2.553 -2.528 3.068 86 HD1 TRP 14 1HD TRP 14 3.639 -4.772 5.737 87 HE1 TRP 14 1HE TRP 14 2.540 -4.184 7.988 88 HE3 TRP 14 3HE TRP 14 0.088 -1.523 4.080 89 HZ2 TRP 14 2HZ TRP 14 0.446 -2.554 8.930 90 HZ3 TRP 14 3HZ TRP 14 -1.413 -0.494 5.715 91 HH2 TRP 14 2HH TRP 14 -1.232 -1.006 8.098 92 H CYS 15 HN CYS 15 1.564 -2.375 1.086 93 HA CYS 15 HA CYS 15 -0.939 -1.283 1.832 94 HB2 CYS 15 2HB CYS 15 1.285 -0.553 0.108 95 HB3 CYS 15 1HB CYS 15 -0.209 0.391 0.107 96 H ARG 16 HN ARG 16 0.098 -3.322 -0.556 97 HA ARG 16 HA ARG 16 -2.126 -2.781 -2.296 98 HB2 ARG 16 2HB ARG 16 -0.328 -5.193 -2.084 99 HB3 ARG 16 1HB ARG 16 -1.631 -5.067 -3.253 100 HG2 ARG 16 2HG ARG 16 -0.558 -3.147 -4.282 101 HG3 ARG 16 1HG ARG 16 0.728 -3.205 -3.073 102 HD2 ARG 16 2HD ARG 16 1.386 -4.265 -5.199 103 HD3 ARG 16 1HD ARG 16 1.403 -5.392 -3.843 104 HE ARG 16 HE ARG 16 -1.021 -5.302 -5.402 105 HH11 ARG 16 1HH1 ARG 16 2.104 -6.919 -4.956 106 HH12 ARG 16 2HH1 ARG 16 1.607 -8.384 -5.656 107 HH21 ARG 16 1HH2 ARG 16 -1.708 -7.353 -6.383 108 HH22 ARG 16 2HH2 ARG 16 -0.604 -8.636 -6.479 109 H ASP 17 HN ASP 17 -1.445 -5.076 0.274 110 HA ASP 17 HA ASP 17 -3.990 -6.410 0.066 111 HB2 ASP 17 2HB ASP 17 -1.804 -7.458 0.855 112 HB3 ASP 17 1HB ASP 17 -2.013 -6.540 2.329 113 H HIS 18 HN HIS 18 -2.510 -4.031 2.208 114 HA HIS 18 HA HIS 18 -5.002 -3.754 3.768 115 HB2 HIS 18 2HB HIS 18 -2.217 -2.711 4.372 116 HB3 HIS 18 1HB HIS 18 -3.575 -2.669 5.467 117 HD1 HIS 18 1HD HIS 18 -4.212 -5.859 4.778 118 HD2 HIS 18 2HD HIS 18 -0.697 -4.140 6.117 119 HE1 HIS 18 1HE HIS 18 -2.972 -7.682 5.973 120 H ALA 19 HN ALA 19 -4.725 -2.714 1.160 121 HA ALA 19 HA ALA 19 -3.762 -0.116 0.920 122 HB1 ALA 19 1HB ALA 19 -4.308 -1.558 -0.976 123 HB2 ALA 19 2HB ALA 19 -5.013 0.053 -1.100 124 HB3 ALA 19 3HB ALA 19 -6.029 -1.321 -0.643 125 H ARG 20 HN ARG 20 -4.430 1.751 1.416 126 HA ARG 20 HA ARG 20 -7.173 2.128 2.378 127 HB2 ARG 20 2HB ARG 20 -4.665 3.699 2.988 128 HB3 ARG 20 1HB ARG 20 -6.281 4.188 3.479 129 HG2 ARG 20 2HG ARG 20 -4.982 1.600 4.281 130 HG3 ARG 20 1HG ARG 20 -4.993 3.064 5.267 131 HD2 ARG 20 2HD ARG 20 -7.408 3.025 5.365 132 HD3 ARG 20 1HD ARG 20 -7.468 1.637 4.281 133 HE ARG 20 HE ARG 20 -6.044 0.591 6.151 134 HH11 ARG 20 1HH1 ARG 20 -8.823 2.757 6.625 135 HH12 ARG 20 2HH1 ARG 20 -9.309 2.023 8.074 136 HH21 ARG 20 1HH2 ARG 20 -6.727 -0.406 8.105 137 HH22 ARG 20 2HH2 ARG 20 -8.078 0.191 8.956 138 H CYS 21 HN CYS 21 -4.612 3.720 0.493 139 HA CYS 21 HA CYS 21 -6.752 4.980 -1.062 140 HB2 CYS 21 2HB CYS 21 -4.003 6.118 -0.504 141 HB3 CYS 21 1HB CYS 21 -5.317 6.914 -1.358 142 H CYS 22 HN CYS 22 -3.257 4.134 -1.147 143 HA CYS 22 HA CYS 22 -3.667 3.133 -3.830 144 HB2 CYS 22 2HB CYS 22 -1.297 3.849 -4.225 145 HB3 CYS 22 1HB CYS 22 -2.414 5.166 -3.869 146 HN1 NH2 23 1H CYS 22 -3.729 0.982 -3.611 147 HN2 NH2 23 2H CYS 22 -2.698 0.045 -2.582 Start of MODEL 15 1 H1 ARG 1 1HT ARG 1 0.701 3.582 8.308 2 H2 ARG 1 2HT ARG 1 1.369 2.245 7.547 3 H3 ARG 1 3HT ARG 1 0.123 2.039 8.636 4 HA ARG 1 HA ARG 1 -0.653 1.831 6.336 5 HB2 ARG 1 2HB ARG 1 -2.502 3.443 6.458 6 HB3 ARG 1 1HB ARG 1 -2.283 2.563 7.955 7 HG2 ARG 1 2HG ARG 1 -1.287 4.479 9.018 8 HG3 ARG 1 1HG ARG 1 -1.226 5.343 7.479 9 HD2 ARG 1 2HD ARG 1 -3.748 4.453 8.862 10 HD3 ARG 1 1HD ARG 1 -3.083 6.090 8.906 11 HE ARG 1 HE ARG 1 -3.307 5.319 6.254 12 HH11 ARG 1 1HH1 ARG 1 -5.437 6.080 8.960 13 HH12 ARG 1 2HH1 ARG 1 -6.732 6.633 8.002 14 HH21 ARG 1 1HH2 ARG 1 -5.114 6.148 4.891 15 HH22 ARG 1 2HH2 ARG 1 -6.516 6.692 5.671 16 H GLY 2 HN GLY 2 1.870 2.865 5.658 17 HA2 GLY 2 2HA GLY 2 1.598 5.506 4.686 18 HA3 GLY 2 1HA GLY 2 2.954 4.408 4.517 19 H CYS 3 HN CYS 3 -0.096 3.308 3.514 20 HA CYS 3 HA CYS 3 0.729 3.260 0.758 21 HB2 CYS 3 2HB CYS 3 -1.962 2.579 1.942 22 HB3 CYS 3 1HB CYS 3 -1.338 2.085 0.376 23 H CYS 4 HN CYS 4 -0.668 5.424 2.817 24 HA CYS 4 HA CYS 4 -1.913 7.003 0.702 25 HB2 CYS 4 2HB CYS 4 -1.498 7.764 3.601 26 HB3 CYS 4 1HB CYS 4 -2.696 8.409 2.477 27 H ASN 5 HN ASN 5 0.572 7.150 3.145 28 HA ASN 5 HA ASN 5 2.622 8.179 1.497 29 HB2 ASN 5 2HB ASN 5 1.173 10.212 1.936 30 HB3 ASN 5 1HB ASN 5 1.489 9.997 3.645 31 HD21 ASN 5 1HD2 ASN 5 2.110 12.246 1.887 32 HD22 ASN 5 2HD2 ASN 5 3.815 12.483 2.015 33 H GLY 6 HN GLY 6 4.247 6.974 2.413 34 HA2 GLY 6 2HA GLY 6 5.418 7.158 4.784 35 HA3 GLY 6 1HA GLY 6 4.013 6.210 5.229 36 H ARG 7 HN ARG 7 3.950 4.624 2.780 37 HA ARG 7 HA ARG 7 5.980 2.779 3.555 38 HB2 ARG 7 2HB ARG 7 3.613 2.575 1.706 39 HB3 ARG 7 1HB ARG 7 4.825 1.312 1.780 40 HG2 ARG 7 2HG ARG 7 3.240 2.265 4.156 41 HG3 ARG 7 1HG ARG 7 2.763 0.914 3.134 42 HD2 ARG 7 2HD ARG 7 5.364 1.071 4.684 43 HD3 ARG 7 1HD ARG 7 3.930 0.193 5.205 44 HE ARG 7 HE ARG 7 4.981 -0.529 2.622 45 HH11 ARG 7 1HH1 ARG 7 4.906 -1.225 6.104 46 HH12 ARG 7 2HH1 ARG 7 5.387 -2.849 5.908 47 HH21 ARG 7 1HH2 ARG 7 5.611 -2.848 2.400 48 HH22 ARG 7 2HH2 ARG 7 5.744 -3.755 3.822 49 H GLY 8 HN GLY 8 6.890 1.521 1.398 50 HA2 GLY 8 2HA GLY 8 8.253 3.461 -0.218 51 HA3 GLY 8 1HA GLY 8 8.396 1.710 -0.330 52 H GLY 9 HN GLY 9 6.038 4.262 -0.922 53 HA2 GLY 9 2HA GLY 9 4.924 4.766 -2.903 54 HA3 GLY 9 1HA GLY 9 5.617 3.310 -3.620 55 H CYS 10 HN CYS 10 3.658 2.601 -4.418 56 HA CYS 10 HA CYS 10 1.686 1.713 -2.405 57 HB2 CYS 10 2HB CYS 10 1.344 1.862 -5.407 58 HB3 CYS 10 1HB CYS 10 0.098 1.566 -4.204 59 H SER 11 HN SER 11 4.219 0.722 -4.430 60 HA SER 11 HA SER 11 3.361 -1.665 -5.465 61 HB2 SER 11 2HB SER 11 6.075 -0.513 -5.012 62 HB3 SER 11 1HB SER 11 5.539 -1.650 -6.252 63 HG SER 11 HG SER 11 4.229 -0.066 -7.121 64 H SER 12 HN SER 12 3.562 -1.313 -2.256 65 HA SER 12 HA SER 12 5.211 -3.704 -1.900 66 HB2 SER 12 2HB SER 12 5.741 -1.606 -0.499 67 HB3 SER 12 1HB SER 12 4.192 -1.933 0.298 68 HG SER 12 HG SER 12 6.461 -3.590 0.218 69 H ARG 13 HN ARG 13 4.385 -5.284 -0.419 70 HA ARG 13 HA ARG 13 1.815 -6.168 -1.265 71 HB2 ARG 13 2HB ARG 13 3.565 -7.264 0.932 72 HB3 ARG 13 1HB ARG 13 2.113 -8.047 0.335 73 HG2 ARG 13 2HG ARG 13 3.141 -8.226 -1.878 74 HG3 ARG 13 1HG ARG 13 4.609 -7.483 -1.243 75 HD2 ARG 13 2HD ARG 13 3.374 -10.048 -0.254 76 HD3 ARG 13 1HD ARG 13 4.753 -9.945 -1.339 77 HE ARG 13 HE ARG 13 5.598 -8.513 0.737 78 HH11 ARG 13 1HH1 ARG 13 4.071 -11.685 0.620 79 HH12 ARG 13 2HH1 ARG 13 4.891 -12.336 1.959 80 HH21 ARG 13 1HH2 ARG 13 6.796 -9.394 2.583 81 HH22 ARG 13 2HH2 ARG 13 6.507 -10.995 3.085 82 H TRP 14 HN TRP 14 2.849 -4.522 1.585 83 HA TRP 14 HA TRP 14 0.587 -4.806 3.267 84 HB2 TRP 14 2HB TRP 14 2.959 -3.532 3.483 85 HB3 TRP 14 1HB TRP 14 1.975 -2.171 2.986 86 HD1 TRP 14 1HD TRP 14 3.012 -4.127 5.908 87 HE1 TRP 14 1HE TRP 14 1.817 -3.370 8.031 88 HE3 TRP 14 3HE TRP 14 -0.566 -1.176 3.775 89 HZ2 TRP 14 2HZ TRP 14 -0.377 -1.712 8.728 90 HZ3 TRP 14 3HZ TRP 14 -2.172 -0.037 5.252 91 HH2 TRP 14 2HH TRP 14 -2.075 -0.299 7.666 92 H CYS 15 HN CYS 15 1.203 -2.649 0.581 93 HA CYS 15 HA CYS 15 -1.315 -1.337 0.901 94 HB2 CYS 15 2HB CYS 15 0.845 -1.187 -1.104 95 HB3 CYS 15 1HB CYS 15 -0.539 -0.080 -0.942 96 H ARG 16 HN ARG 16 -0.094 -4.020 -0.629 97 HA ARG 16 HA ARG 16 -2.144 -4.069 -2.671 98 HB2 ARG 16 2HB ARG 16 -0.148 -6.198 -1.895 99 HB3 ARG 16 1HB ARG 16 -1.331 -6.335 -3.190 100 HG2 ARG 16 2HG ARG 16 0.791 -4.203 -3.117 101 HG3 ARG 16 1HG ARG 16 0.984 -5.749 -3.939 102 HD2 ARG 16 2HD ARG 16 0.302 -4.028 -5.526 103 HD3 ARG 16 1HD ARG 16 -0.970 -5.231 -5.344 104 HE ARG 16 HE ARG 16 -1.271 -2.996 -3.614 105 HH11 ARG 16 1HH1 ARG 16 -1.892 -4.102 -6.905 106 HH12 ARG 16 2HH1 ARG 16 -3.215 -3.073 -7.166 107 HH21 ARG 16 1HH2 ARG 16 -3.163 -1.623 -3.943 108 HH22 ARG 16 2HH2 ARG 16 -3.951 -1.640 -5.453 109 H ASP 17 HN ASP 17 -1.747 -5.218 0.535 110 HA ASP 17 HA ASP 17 -4.266 -6.728 0.269 111 HB2 ASP 17 2HB ASP 17 -2.142 -7.736 1.378 112 HB3 ASP 17 1HB ASP 17 -2.527 -6.668 2.694 113 H HIS 18 HN HIS 18 -2.746 -4.136 2.120 114 HA HIS 18 HA HIS 18 -5.263 -3.671 3.569 115 HB2 HIS 18 2HB HIS 18 -2.534 -2.616 4.309 116 HB3 HIS 18 1HB HIS 18 -3.948 -2.748 5.329 117 HD1 HIS 18 1HD HIS 18 -4.568 -5.708 5.237 118 HD2 HIS 18 2HD HIS 18 -0.700 -4.255 5.268 119 HE1 HIS 18 1HE HIS 18 -3.152 -7.572 6.137 120 H ALA 19 HN ALA 19 -4.891 -2.772 0.930 121 HA ALA 19 HA ALA 19 -3.852 -0.134 0.776 122 HB1 ALA 19 1HB ALA 19 -4.915 -0.002 -1.384 123 HB2 ALA 19 2HB ALA 19 -5.893 -1.420 -1.022 124 HB3 ALA 19 3HB ALA 19 -4.141 -1.576 -1.190 125 H ARG 20 HN ARG 20 -4.736 1.242 2.255 126 HA ARG 20 HA ARG 20 -7.599 1.640 2.324 127 HB2 ARG 20 2HB ARG 20 -6.274 1.864 4.385 128 HB3 ARG 20 1HB ARG 20 -5.361 3.181 3.659 129 HG2 ARG 20 2HG ARG 20 -6.981 4.096 5.160 130 HG3 ARG 20 1HG ARG 20 -7.453 4.475 3.501 131 HD2 ARG 20 2HD ARG 20 -9.050 2.613 3.540 132 HD3 ARG 20 1HD ARG 20 -8.560 2.253 5.197 133 HE ARG 20 HE ARG 20 -9.615 4.882 4.548 134 HH11 ARG 20 1HH1 ARG 20 -10.035 1.773 6.204 135 HH12 ARG 20 2HH1 ARG 20 -11.320 2.288 7.191 136 HH21 ARG 20 1HH2 ARG 20 -11.361 5.628 5.903 137 HH22 ARG 20 2HH2 ARG 20 -12.081 4.565 7.029 138 H CYS 21 HN CYS 21 -4.705 3.400 1.364 139 HA CYS 21 HA CYS 21 -6.407 5.263 -0.127 140 HB2 CYS 21 2HB CYS 21 -3.512 5.577 0.672 141 HB3 CYS 21 1HB CYS 21 -4.499 6.808 -0.106 142 H CYS 22 HN CYS 22 -3.066 3.948 -0.604 143 HA CYS 22 HA CYS 22 -3.854 3.242 -3.311 144 HB2 CYS 22 2HB CYS 22 -2.627 5.389 -3.352 145 HB3 CYS 22 1HB CYS 22 -1.299 4.637 -2.485 146 HN1 NH2 23 1H CYS 22 -3.812 1.121 -3.141 147 HN2 NH2 23 2H CYS 22 -2.555 0.153 -2.435 Start of MODEL 16 1 H1 ARG 1 1HT ARG 1 -1.732 5.072 7.704 2 H2 ARG 1 2HT ARG 1 -0.206 4.941 8.345 3 H3 ARG 1 3HT ARG 1 -1.415 3.959 8.947 4 HA ARG 1 HA ARG 1 0.122 2.801 7.559 5 HB2 ARG 1 2HB ARG 1 -1.406 1.617 6.120 6 HB3 ARG 1 1HB ARG 1 -2.281 2.092 7.547 7 HG2 ARG 1 2HG ARG 1 -2.463 3.524 4.894 8 HG3 ARG 1 1HG ARG 1 -3.561 2.251 5.408 9 HD2 ARG 1 2HD ARG 1 -3.154 4.933 6.721 10 HD3 ARG 1 1HD ARG 1 -4.543 4.433 5.768 11 HE ARG 1 HE ARG 1 -4.246 2.603 7.825 12 HH11 ARG 1 1HH1 ARG 1 -5.086 6.043 7.474 13 HH12 ARG 1 2HH1 ARG 1 -6.021 6.093 8.883 14 HH21 ARG 1 1HH2 ARG 1 -5.574 2.678 9.727 15 HH22 ARG 1 2HH2 ARG 1 -6.343 4.139 10.163 16 H GLY 2 HN GLY 2 1.564 2.822 5.872 17 HA2 GLY 2 2HA GLY 2 1.833 5.276 4.506 18 HA3 GLY 2 1HA GLY 2 2.871 3.876 4.347 19 H CYS 3 HN CYS 3 -0.252 2.980 3.830 20 HA CYS 3 HA CYS 3 0.100 2.857 0.956 21 HB2 CYS 3 2HB CYS 3 -2.231 1.989 2.641 22 HB3 CYS 3 1HB CYS 3 -1.943 1.574 0.955 23 H CYS 4 HN CYS 4 -0.455 5.215 2.647 24 HA CYS 4 HA CYS 4 -2.261 6.505 0.744 25 HB2 CYS 4 2HB CYS 4 -1.806 7.315 3.644 26 HB3 CYS 4 1HB CYS 4 -2.921 8.084 2.514 27 H ASN 5 HN ASN 5 0.467 6.813 2.940 28 HA ASN 5 HA ASN 5 2.347 7.525 1.060 29 HB2 ASN 5 2HB ASN 5 1.002 9.693 1.240 30 HB3 ASN 5 1HB ASN 5 1.567 9.810 2.894 31 HD21 ASN 5 1HD2 ASN 5 2.121 11.657 0.709 32 HD22 ASN 5 2HD2 ASN 5 3.830 11.719 0.537 33 H GLY 6 HN GLY 6 4.131 6.766 2.043 34 HA2 GLY 6 2HA GLY 6 5.523 7.195 4.127 35 HA3 GLY 6 1HA GLY 6 4.107 6.614 4.995 36 H ARG 7 HN ARG 7 4.200 4.830 2.291 37 HA ARG 7 HA ARG 7 5.552 2.658 3.689 38 HB2 ARG 7 2HB ARG 7 3.181 2.468 2.602 39 HB3 ARG 7 1HB ARG 7 4.060 2.486 1.087 40 HG2 ARG 7 2HG ARG 7 3.470 0.238 1.577 41 HG3 ARG 7 1HG ARG 7 5.210 0.407 1.754 42 HD2 ARG 7 2HD ARG 7 3.223 0.445 4.037 43 HD3 ARG 7 1HD ARG 7 4.144 -0.970 3.551 44 HE ARG 7 HE ARG 7 5.994 0.958 3.970 45 HH11 ARG 7 1HH1 ARG 7 3.482 -0.560 5.995 46 HH12 ARG 7 2HH1 ARG 7 4.363 -0.351 7.431 47 HH21 ARG 7 1HH2 ARG 7 7.146 1.218 5.933 48 HH22 ARG 7 2HH2 ARG 7 6.496 0.671 7.406 49 H GLY 8 HN GLY 8 6.852 1.174 1.817 50 HA2 GLY 8 2HA GLY 8 8.740 2.920 0.592 51 HA3 GLY 8 1HA GLY 8 8.712 1.162 0.494 52 H GLY 9 HN GLY 9 5.758 1.703 -0.292 53 HA2 GLY 9 2HA GLY 9 5.654 3.050 -2.707 54 HA3 GLY 9 1HA GLY 9 6.022 1.355 -3.034 55 H CYS 10 HN CYS 10 3.602 2.891 -3.637 56 HA CYS 10 HA CYS 10 1.551 2.023 -1.864 57 HB2 CYS 10 2HB CYS 10 1.441 3.104 -4.662 58 HB3 CYS 10 1HB CYS 10 0.014 2.641 -3.744 59 H SER 11 HN SER 11 3.210 0.537 -4.433 60 HA SER 11 HA SER 11 1.142 -1.504 -4.504 61 HB2 SER 11 2HB SER 11 1.751 -0.469 -6.704 62 HB3 SER 11 1HB SER 11 3.393 -1.075 -6.501 63 HG SER 11 HG SER 11 2.681 -3.115 -6.635 64 H SER 12 HN SER 12 3.515 -0.933 -2.569 65 HA SER 12 HA SER 12 5.092 -3.292 -2.740 66 HB2 SER 12 2HB SER 12 5.714 -1.237 -1.362 67 HB3 SER 12 1HB SER 12 4.415 -1.716 -0.255 68 HG SER 12 HG SER 12 6.054 -2.714 0.655 69 H ARG 13 HN ARG 13 4.872 -5.019 -1.162 70 HA ARG 13 HA ARG 13 2.375 -6.331 -1.487 71 HB2 ARG 13 2HB ARG 13 4.496 -7.524 -1.233 72 HB3 ARG 13 1HB ARG 13 4.586 -7.006 0.441 73 HG2 ARG 13 2HG ARG 13 2.656 -8.317 1.007 74 HG3 ARG 13 1HG ARG 13 2.399 -8.729 -0.692 75 HD2 ARG 13 2HD ARG 13 4.808 -9.459 0.960 76 HD3 ARG 13 1HD ARG 13 3.493 -10.545 0.494 77 HE ARG 13 HE ARG 13 4.495 -9.399 -1.823 78 HH11 ARG 13 1HH1 ARG 13 5.650 -11.619 0.674 79 HH12 ARG 13 2HH1 ARG 13 6.726 -12.434 -0.365 80 HH21 ARG 13 1HH2 ARG 13 5.896 -10.480 -3.218 81 HH22 ARG 13 2HH2 ARG 13 6.870 -11.772 -2.670 82 H TRP 14 HN TRP 14 3.626 -4.683 1.304 83 HA TRP 14 HA TRP 14 1.545 -5.185 3.171 84 HB2 TRP 14 2HB TRP 14 3.857 -3.933 3.345 85 HB3 TRP 14 1HB TRP 14 2.919 -2.530 2.859 86 HD1 TRP 14 1HD TRP 14 3.619 -4.847 5.746 87 HE1 TRP 14 1HE TRP 14 2.604 -3.871 7.902 88 HE3 TRP 14 3HE TRP 14 0.989 -1.026 3.710 89 HZ2 TRP 14 2HZ TRP 14 0.902 -1.735 8.627 90 HZ3 TRP 14 3HZ TRP 14 -0.283 0.431 5.154 91 HH2 TRP 14 2HH TRP 14 -0.332 0.093 7.597 92 H CYS 15 HN CYS 15 1.798 -2.830 0.600 93 HA CYS 15 HA CYS 15 -0.738 -1.704 1.252 94 HB2 CYS 15 2HB CYS 15 1.402 -1.187 -0.685 95 HB3 CYS 15 1HB CYS 15 -0.152 -0.378 -0.821 96 H ARG 16 HN ARG 16 0.507 -4.070 -0.878 97 HA ARG 16 HA ARG 16 -1.612 -4.093 -2.770 98 HB2 ARG 16 2HB ARG 16 0.011 -6.434 -1.728 99 HB3 ARG 16 1HB ARG 16 -1.037 -6.503 -3.129 100 HG2 ARG 16 2HG ARG 16 1.445 -4.819 -2.852 101 HG3 ARG 16 1HG ARG 16 1.307 -6.322 -3.759 102 HD2 ARG 16 2HD ARG 16 -0.158 -3.744 -4.326 103 HD3 ARG 16 1HD ARG 16 1.209 -4.383 -5.228 104 HE ARG 16 HE ARG 16 -0.993 -6.190 -5.088 105 HH11 ARG 16 1HH1 ARG 16 0.447 -3.511 -6.959 106 HH12 ARG 16 2HH1 ARG 16 -0.538 -3.749 -8.304 107 HH21 ARG 16 1HH2 ARG 16 -2.312 -6.530 -6.940 108 HH22 ARG 16 2HH2 ARG 16 -2.180 -5.531 -8.314 109 H ASP 17 HN ASP 17 -1.187 -5.365 0.392 110 HA ASP 17 HA ASP 17 -3.835 -6.606 0.437 111 HB2 ASP 17 2HB ASP 17 -1.771 -7.592 1.602 112 HB3 ASP 17 1HB ASP 17 -1.936 -6.282 2.747 113 H HIS 18 HN HIS 18 -2.113 -4.008 2.188 114 HA HIS 18 HA HIS 18 -4.548 -3.295 3.630 115 HB2 HIS 18 2HB HIS 18 -1.724 -2.252 4.054 116 HB3 HIS 18 1HB HIS 18 -3.079 -2.070 5.145 117 HD1 HIS 18 1HD HIS 18 -3.757 -5.350 4.822 118 HD2 HIS 18 2HD HIS 18 -0.175 -3.563 5.880 119 HE1 HIS 18 1HE HIS 18 -2.550 -7.013 6.250 120 H ALA 19 HN ALA 19 -4.094 -2.574 0.796 121 HA ALA 19 HA ALA 19 -3.538 0.153 0.426 122 HB1 ALA 19 1HB ALA 19 -3.818 -1.413 -1.441 123 HB2 ALA 19 2HB ALA 19 -4.800 0.040 -1.635 124 HB3 ALA 19 3HB ALA 19 -5.556 -1.474 -1.122 125 H ARG 20 HN ARG 20 -4.403 1.713 1.564 126 HA ARG 20 HA ARG 20 -7.267 1.616 2.176 127 HB2 ARG 20 2HB ARG 20 -5.588 1.860 4.051 128 HB3 ARG 20 1HB ARG 20 -5.201 3.444 3.408 129 HG2 ARG 20 2HG ARG 20 -6.694 3.785 5.230 130 HG3 ARG 20 1HG ARG 20 -7.621 4.068 3.760 131 HD2 ARG 20 2HD ARG 20 -7.627 1.477 5.326 132 HD3 ARG 20 1HD ARG 20 -8.842 2.738 5.491 133 HE ARG 20 HE ARG 20 -9.106 2.310 2.961 134 HH11 ARG 20 1HH1 ARG 20 -8.660 -0.168 5.461 135 HH12 ARG 20 2HH1 ARG 20 -9.385 -1.395 4.536 136 HH21 ARG 20 1HH2 ARG 20 -10.088 0.599 1.714 137 HH22 ARG 20 2HH2 ARG 20 -10.223 -0.956 2.374 138 H CYS 21 HN CYS 21 -4.817 4.092 1.276 139 HA CYS 21 HA CYS 21 -7.010 5.620 0.043 140 HB2 CYS 21 2HB CYS 21 -4.223 6.622 0.590 141 HB3 CYS 21 1HB CYS 21 -5.687 7.557 0.322 142 H CYS 22 HN CYS 22 -3.592 4.824 -0.464 143 HA CYS 22 HA CYS 22 -3.813 5.422 -3.278 144 HB2 CYS 22 2HB CYS 22 -1.977 6.396 -1.927 145 HB3 CYS 22 1HB CYS 22 -1.440 4.789 -1.488 146 HN1 NH2 23 1H CYS 22 -1.728 2.945 -1.850 147 HN2 NH2 23 2H CYS 22 -2.428 1.615 -2.705 Start of MODEL 17 1 H1 ARG 1 1HT ARG 1 0.843 3.511 8.940 2 H2 ARG 1 2HT ARG 1 2.157 2.722 8.233 3 H3 ARG 1 3HT ARG 1 1.063 1.844 9.147 4 HA ARG 1 HA ARG 1 0.819 1.507 6.795 5 HB2 ARG 1 2HB ARG 1 -1.658 2.099 6.614 6 HB3 ARG 1 1HB ARG 1 -1.186 1.071 7.950 7 HG2 ARG 1 2HG ARG 1 -1.326 2.939 9.477 8 HG3 ARG 1 1HG ARG 1 -1.655 4.037 8.136 9 HD2 ARG 1 2HD ARG 1 -3.697 3.441 9.363 10 HD3 ARG 1 1HD ARG 1 -3.748 2.889 7.692 11 HE ARG 1 HE ARG 1 -2.741 0.847 9.299 12 HH11 ARG 1 1HH1 ARG 1 -5.789 2.591 8.761 13 HH12 ARG 1 2HH1 ARG 1 -6.802 1.278 9.146 14 HH21 ARG 1 1HH2 ARG 1 -4.199 -1.014 9.841 15 HH22 ARG 1 2HH2 ARG 1 -5.878 -0.785 9.748 16 H GLY 2 HN GLY 2 2.047 2.646 5.340 17 HA2 GLY 2 2HA GLY 2 1.286 5.395 4.739 18 HA3 GLY 2 1HA GLY 2 2.734 4.590 4.203 19 H CYS 3 HN CYS 3 -0.575 3.675 4.030 20 HA CYS 3 HA CYS 3 -0.184 2.979 1.217 21 HB2 CYS 3 2HB CYS 3 -2.494 2.303 3.011 22 HB3 CYS 3 1HB CYS 3 -2.175 1.657 1.409 23 H CYS 4 HN CYS 4 -0.845 5.568 2.610 24 HA CYS 4 HA CYS 4 -2.534 6.473 0.397 25 HB2 CYS 4 2HB CYS 4 -2.099 7.983 3.000 26 HB3 CYS 4 1HB CYS 4 -3.266 8.342 1.745 27 H ASN 5 HN ASN 5 0.116 7.188 2.582 28 HA ASN 5 HA ASN 5 2.024 7.554 0.606 29 HB2 ASN 5 2HB ASN 5 0.679 9.714 0.414 30 HB3 ASN 5 1HB ASN 5 1.255 10.117 2.018 31 HD21 ASN 5 1HD2 ASN 5 2.411 11.926 1.314 32 HD22 ASN 5 2HD2 ASN 5 3.863 11.796 0.398 33 H GLY 6 HN GLY 6 3.762 6.856 1.645 34 HA2 GLY 6 2HA GLY 6 5.105 7.784 3.736 35 HA3 GLY 6 1HA GLY 6 3.790 6.974 4.572 36 H ARG 7 HN ARG 7 3.710 4.821 2.514 37 HA ARG 7 HA ARG 7 5.730 3.183 3.771 38 HB2 ARG 7 2HB ARG 7 3.493 2.257 3.421 39 HB3 ARG 7 1HB ARG 7 3.625 2.521 1.693 40 HG2 ARG 7 2HG ARG 7 3.999 0.269 1.827 41 HG3 ARG 7 1HG ARG 7 5.648 0.875 1.905 42 HD2 ARG 7 2HD ARG 7 3.941 -0.002 4.248 43 HD3 ARG 7 1HD ARG 7 5.266 -0.908 3.546 44 HE ARG 7 HE ARG 7 6.013 1.699 4.495 45 HH11 ARG 7 1HH1 ARG 7 5.739 -1.729 5.343 46 HH12 ARG 7 2HH1 ARG 7 6.588 -1.584 6.801 47 HH21 ARG 7 1HH2 ARG 7 7.236 1.878 6.480 48 HH22 ARG 7 2HH2 ARG 7 7.465 0.530 7.470 49 H GLY 8 HN GLY 8 7.433 2.196 2.636 50 HA2 GLY 8 2HA GLY 8 8.419 3.597 0.358 51 HA3 GLY 8 1HA GLY 8 9.146 2.168 1.088 52 H GLY 9 HN GLY 9 6.709 3.312 -1.085 53 HA2 GLY 9 2HA GLY 9 6.212 2.403 -3.150 54 HA3 GLY 9 1HA GLY 9 6.817 0.839 -2.672 55 H CYS 10 HN CYS 10 4.238 2.391 -3.426 56 HA CYS 10 HA CYS 10 2.434 1.354 -1.408 57 HB2 CYS 10 2HB CYS 10 1.951 3.553 -2.485 58 HB3 CYS 10 1HB CYS 10 1.698 2.716 -4.016 59 H SER 11 HN SER 11 3.716 0.383 -4.392 60 HA SER 11 HA SER 11 1.638 -1.545 -4.912 61 HB2 SER 11 2HB SER 11 2.925 -0.363 -6.739 62 HB3 SER 11 1HB SER 11 4.342 -1.290 -6.263 63 HG SER 11 HG SER 11 3.627 -2.669 -7.610 64 H SER 12 HN SER 12 4.048 -1.369 -2.716 65 HA SER 12 HA SER 12 5.116 -4.012 -2.728 66 HB2 SER 12 2HB SER 12 6.067 -1.915 -1.532 67 HB3 SER 12 1HB SER 12 4.760 -2.190 -0.372 68 HG SER 12 HG SER 12 6.869 -3.964 -0.984 69 H ARG 13 HN ARG 13 4.527 -5.564 -1.012 70 HA ARG 13 HA ARG 13 1.877 -6.317 -1.394 71 HB2 ARG 13 2HB ARG 13 3.480 -8.021 -0.965 72 HB3 ARG 13 1HB ARG 13 3.830 -7.372 0.629 73 HG2 ARG 13 2HG ARG 13 1.761 -8.120 1.488 74 HG3 ARG 13 1HG ARG 13 1.123 -8.443 -0.123 75 HD2 ARG 13 2HD ARG 13 3.454 -9.884 1.134 76 HD3 ARG 13 1HD ARG 13 1.799 -10.497 1.078 77 HE ARG 13 HE ARG 13 2.421 -9.866 -1.500 78 HH11 ARG 13 1HH1 ARG 13 3.872 -12.032 0.890 79 HH12 ARG 13 2HH1 ARG 13 4.309 -13.225 -0.245 80 HH21 ARG 13 1HH2 ARG 13 3.084 -11.473 -3.061 81 HH22 ARG 13 2HH2 ARG 13 3.882 -12.885 -2.546 82 H TRP 14 HN TRP 14 3.198 -4.608 1.339 83 HA TRP 14 HA TRP 14 1.046 -4.969 3.100 84 HB2 TRP 14 2HB TRP 14 3.427 -3.764 3.381 85 HB3 TRP 14 1HB TRP 14 2.447 -2.334 3.086 86 HD1 TRP 14 1HD TRP 14 3.482 -4.693 5.726 87 HE1 TRP 14 1HE TRP 14 2.258 -4.222 7.933 88 HE3 TRP 14 3HE TRP 14 -0.066 -1.460 4.006 89 HZ2 TRP 14 2HZ TRP 14 0.057 -2.684 8.825 90 HZ3 TRP 14 3HZ TRP 14 -1.686 -0.539 5.595 91 HH2 TRP 14 2HH TRP 14 -1.622 -1.142 7.957 92 H CYS 15 HN CYS 15 1.618 -2.248 0.932 93 HA CYS 15 HA CYS 15 -0.994 -1.275 1.435 94 HB2 CYS 15 2HB CYS 15 1.277 -0.451 -0.269 95 HB3 CYS 15 1HB CYS 15 -0.249 0.422 -0.230 96 H ARG 16 HN ARG 16 0.516 -3.262 -0.925 97 HA ARG 16 HA ARG 16 -1.404 -3.015 -2.978 98 HB2 ARG 16 2HB ARG 16 0.797 -4.162 -3.263 99 HB3 ARG 16 1HB ARG 16 0.220 -5.455 -2.223 100 HG2 ARG 16 2HG ARG 16 -1.566 -5.925 -3.864 101 HG3 ARG 16 1HG ARG 16 -0.867 -4.708 -4.929 102 HD2 ARG 16 2HD ARG 16 0.528 -7.182 -3.926 103 HD3 ARG 16 1HD ARG 16 -0.182 -6.998 -5.525 104 HE ARG 16 HE ARG 16 1.879 -5.072 -4.792 105 HH11 ARG 16 1HH1 ARG 16 1.124 -8.090 -6.494 106 HH12 ARG 16 2HH1 ARG 16 2.556 -8.066 -7.419 107 HH21 ARG 16 1HH2 ARG 16 3.836 -5.067 -6.049 108 HH22 ARG 16 2HH2 ARG 16 4.133 -6.340 -7.156 109 H ASP 17 HN ASP 17 -1.309 -4.785 0.023 110 HA ASP 17 HA ASP 17 -3.779 -6.234 -0.609 111 HB2 ASP 17 2HB ASP 17 -1.694 -7.294 0.536 112 HB3 ASP 17 1HB ASP 17 -2.197 -6.372 1.920 113 H HIS 18 HN HIS 18 -2.425 -4.114 1.910 114 HA HIS 18 HA HIS 18 -5.006 -3.948 3.270 115 HB2 HIS 18 2HB HIS 18 -2.324 -2.874 4.184 116 HB3 HIS 18 1HB HIS 18 -3.739 -3.171 5.164 117 HD1 HIS 18 1HD HIS 18 -3.799 -6.290 3.635 118 HD2 HIS 18 2HD HIS 18 -0.926 -4.441 6.012 119 HE1 HIS 18 1HE HIS 18 -2.458 -8.122 4.615 120 H ALA 19 HN ALA 19 -4.489 -2.564 0.811 121 HA ALA 19 HA ALA 19 -3.718 0.063 0.783 122 HB1 ALA 19 1HB ALA 19 -5.127 0.398 -1.091 123 HB2 ALA 19 2HB ALA 19 -6.127 -0.990 -0.647 124 HB3 ALA 19 3HB ALA 19 -4.448 -1.232 -1.151 125 H ARG 20 HN ARG 20 -4.339 1.845 1.701 126 HA ARG 20 HA ARG 20 -6.979 1.939 2.983 127 HB2 ARG 20 2HB ARG 20 -4.508 3.558 3.606 128 HB3 ARG 20 1HB ARG 20 -6.067 3.796 4.371 129 HG2 ARG 20 2HG ARG 20 -4.437 1.255 4.530 130 HG3 ARG 20 1HG ARG 20 -4.475 2.508 5.765 131 HD2 ARG 20 2HD ARG 20 -5.957 0.757 6.474 132 HD3 ARG 20 1HD ARG 20 -6.953 2.111 5.962 133 HE ARG 20 HE ARG 20 -6.445 0.139 3.931 134 HH11 ARG 20 1HH1 ARG 20 -8.633 0.973 6.592 135 HH12 ARG 20 2HH1 ARG 20 -9.980 0.238 5.866 136 HH21 ARG 20 1HH2 ARG 20 -8.285 -0.868 2.982 137 HH22 ARG 20 2HH2 ARG 20 -9.791 -0.855 3.794 138 H CYS 21 HN CYS 21 -4.810 3.908 0.983 139 HA CYS 21 HA CYS 21 -7.197 5.355 0.019 140 HB2 CYS 21 2HB CYS 21 -4.452 6.588 0.347 141 HB3 CYS 21 1HB CYS 21 -5.938 7.408 -0.099 142 H CYS 22 HN CYS 22 -3.965 4.151 -0.563 143 HA CYS 22 HA CYS 22 -4.315 4.259 -3.449 144 HB2 CYS 22 2HB CYS 22 -2.334 5.417 -2.806 145 HB3 CYS 22 1HB CYS 22 -1.946 4.230 -1.574 146 HN1 NH2 23 1H CYS 22 -5.303 2.387 -3.975 147 HN2 NH2 23 2H CYS 22 -4.857 0.821 -3.406 Start of MODEL 18 1 H1 ARG 1 1HT ARG 1 -1.972 1.869 6.706 2 H2 ARG 1 2HT ARG 1 -2.372 3.322 7.401 3 H3 ARG 1 3HT ARG 1 -2.116 1.996 8.395 4 HA ARG 1 HA ARG 1 -0.319 3.547 8.495 5 HB2 ARG 1 2HB ARG 1 0.021 0.968 8.410 6 HB3 ARG 1 1HB ARG 1 0.619 1.232 6.787 7 HG2 ARG 1 2HG ARG 1 2.489 2.451 7.582 8 HG3 ARG 1 1HG ARG 1 1.823 2.557 9.214 9 HD2 ARG 1 2HD ARG 1 2.680 0.041 7.790 10 HD3 ARG 1 1HD ARG 1 3.593 0.873 9.050 11 HE ARG 1 HE ARG 1 0.997 0.263 9.976 12 HH11 ARG 1 1HH1 ARG 1 4.031 -1.438 9.261 13 HH12 ARG 1 2HH1 ARG 1 3.743 -2.674 10.382 14 HH21 ARG 1 1HH2 ARG 1 0.621 -1.420 11.467 15 HH22 ARG 1 2HH2 ARG 1 1.757 -2.665 11.693 16 H GLY 2 HN GLY 2 1.924 3.515 6.422 17 HA2 GLY 2 2HA GLY 2 1.067 5.895 5.141 18 HA3 GLY 2 1HA GLY 2 2.590 5.088 5.021 19 H CYS 3 HN CYS 3 -0.479 3.822 4.075 20 HA CYS 3 HA CYS 3 0.602 3.445 1.386 21 HB2 CYS 3 2HB CYS 3 -1.999 2.524 2.557 22 HB3 CYS 3 1HB CYS 3 -1.399 2.089 0.958 23 H CYS 4 HN CYS 4 -0.631 5.882 2.811 24 HA CYS 4 HA CYS 4 -1.782 6.907 0.318 25 HB2 CYS 4 2HB CYS 4 -2.111 8.174 3.060 26 HB3 CYS 4 1HB CYS 4 -3.010 8.532 1.596 27 H ASN 5 HN ASN 5 0.353 7.395 3.037 28 HA ASN 5 HA ASN 5 2.501 8.320 1.464 29 HB2 ASN 5 2HB ASN 5 1.091 10.408 1.721 30 HB3 ASN 5 1HB ASN 5 1.339 10.290 3.450 31 HD21 ASN 5 1HD2 ASN 5 2.145 12.452 1.712 32 HD22 ASN 5 2HD2 ASN 5 3.855 12.611 1.819 33 H GLY 6 HN GLY 6 4.076 7.224 2.444 34 HA2 GLY 6 2HA GLY 6 5.352 7.613 4.681 35 HA3 GLY 6 1HA GLY 6 3.924 6.871 5.364 36 H ARG 7 HN ARG 7 3.759 4.952 3.037 37 HA ARG 7 HA ARG 7 5.794 3.154 4.090 38 HB2 ARG 7 2HB ARG 7 3.270 2.534 4.065 39 HB3 ARG 7 1HB ARG 7 3.466 2.434 2.327 40 HG2 ARG 7 2HG ARG 7 3.497 0.219 3.175 41 HG3 ARG 7 1HG ARG 7 5.124 0.623 2.650 42 HD2 ARG 7 2HD ARG 7 4.135 0.668 5.510 43 HD3 ARG 7 1HD ARG 7 5.092 -0.619 4.785 44 HE ARG 7 HE ARG 7 6.557 1.613 4.383 45 HH11 ARG 7 1HH1 ARG 7 5.331 -0.056 7.226 46 HH12 ARG 7 2HH1 ARG 7 6.478 0.617 8.300 47 HH21 ARG 7 1HH2 ARG 7 8.161 2.529 5.879 48 HH22 ARG 7 2HH2 ARG 7 8.103 2.076 7.518 49 H GLY 8 HN GLY 8 6.555 1.497 2.118 50 HA2 GLY 8 2HA GLY 8 8.160 2.992 0.466 51 HA3 GLY 8 1HA GLY 8 7.783 1.292 0.269 52 H GLY 9 HN GLY 9 5.382 1.028 -0.642 53 HA2 GLY 9 2HA GLY 9 4.561 3.072 -2.417 54 HA3 GLY 9 1HA GLY 9 5.487 1.835 -3.253 55 H CYS 10 HN CYS 10 3.089 2.180 -4.110 56 HA CYS 10 HA CYS 10 1.054 0.685 -2.768 57 HB2 CYS 10 2HB CYS 10 1.088 1.527 -5.657 58 HB3 CYS 10 1HB CYS 10 -0.304 1.265 -4.612 59 H SER 11 HN SER 11 3.494 0.028 -5.069 60 HA SER 11 HA SER 11 2.351 -2.362 -6.135 61 HB2 SER 11 2HB SER 11 4.045 -0.979 -7.360 62 HB3 SER 11 1HB SER 11 5.254 -1.491 -6.186 63 HG SER 11 HG SER 11 3.861 -3.013 -8.090 64 H SER 12 HN SER 12 4.232 -1.557 -3.354 65 HA SER 12 HA SER 12 5.346 -4.063 -2.752 66 HB2 SER 12 2HB SER 12 6.017 -1.913 -1.661 67 HB3 SER 12 1HB SER 12 4.437 -1.918 -0.853 68 HG SER 12 HG SER 12 6.581 -3.714 -0.531 69 H ARG 13 HN ARG 13 4.636 -5.444 -1.078 70 HA ARG 13 HA ARG 13 1.951 -6.316 -1.668 71 HB2 ARG 13 2HB ARG 13 3.926 -7.481 0.294 72 HB3 ARG 13 1HB ARG 13 2.430 -8.242 -0.224 73 HG2 ARG 13 2HG ARG 13 4.709 -7.524 -2.051 74 HG3 ARG 13 1HG ARG 13 4.424 -9.127 -1.372 75 HD2 ARG 13 2HD ARG 13 2.329 -9.297 -2.536 76 HD3 ARG 13 1HD ARG 13 2.457 -7.632 -3.106 77 HE ARG 13 HE ARG 13 4.635 -8.583 -4.135 78 HH11 ARG 13 1HH1 ARG 13 1.471 -10.221 -4.033 79 HH12 ARG 13 2HH1 ARG 13 1.745 -11.056 -5.478 80 HH21 ARG 13 1HH2 ARG 13 4.927 -9.699 -6.092 81 HH22 ARG 13 2HH2 ARG 13 3.754 -10.782 -6.687 82 H TRP 14 HN TRP 14 3.359 -4.519 0.852 83 HA TRP 14 HA TRP 14 1.307 -4.938 2.808 84 HB2 TRP 14 2HB TRP 14 3.757 -3.791 2.958 85 HB3 TRP 14 1HB TRP 14 2.787 -2.347 2.693 86 HD1 TRP 14 1HD TRP 14 3.735 -4.841 5.297 87 HE1 TRP 14 1HE TRP 14 2.559 -4.307 7.527 88 HE3 TRP 14 3HE TRP 14 0.511 -1.251 3.662 89 HZ2 TRP 14 2HZ TRP 14 0.535 -2.595 8.450 90 HZ3 TRP 14 3HZ TRP 14 -1.012 -0.228 5.276 91 HH2 TRP 14 2HH TRP 14 -0.992 -0.891 7.623 92 H CYS 15 HN CYS 15 1.871 -2.155 0.714 93 HA CYS 15 HA CYS 15 -0.708 -1.166 1.243 94 HB2 CYS 15 2HB CYS 15 1.399 -0.487 -0.698 95 HB3 CYS 15 1HB CYS 15 -0.103 0.430 -0.465 96 H ARG 16 HN ARG 16 0.509 -3.386 -0.979 97 HA ARG 16 HA ARG 16 -1.573 -3.116 -2.918 98 HB2 ARG 16 2HB ARG 16 0.534 -4.415 -3.320 99 HB3 ARG 16 1HB ARG 16 -0.050 -5.630 -2.194 100 HG2 ARG 16 2HG ARG 16 -1.990 -6.019 -3.676 101 HG3 ARG 16 1HG ARG 16 -1.302 -4.873 -4.826 102 HD2 ARG 16 2HD ARG 16 -0.046 -7.453 -3.893 103 HD3 ARG 16 1HD ARG 16 -0.780 -7.159 -5.467 104 HE ARG 16 HE ARG 16 1.449 -5.457 -4.703 105 HH11 ARG 16 1HH1 ARG 16 0.333 -8.217 -6.627 106 HH12 ARG 16 2HH1 ARG 16 1.710 -8.234 -7.632 107 HH21 ARG 16 1HH2 ARG 16 3.335 -5.535 -6.031 108 HH22 ARG 16 2HH2 ARG 16 3.466 -6.706 -7.268 109 H ASP 17 HN ASP 17 -1.299 -4.656 0.179 110 HA ASP 17 HA ASP 17 -3.878 -6.049 -0.166 111 HB2 ASP 17 2HB ASP 17 -1.766 -7.252 0.695 112 HB3 ASP 17 1HB ASP 17 -1.992 -6.317 2.152 113 H HIS 18 HN HIS 18 -2.162 -3.934 2.109 114 HA HIS 18 HA HIS 18 -4.587 -3.602 3.745 115 HB2 HIS 18 2HB HIS 18 -1.806 -2.645 4.426 116 HB3 HIS 18 1HB HIS 18 -3.130 -2.993 5.520 117 HD1 HIS 18 1HD HIS 18 -3.743 -5.910 5.016 118 HD2 HIS 18 2HD HIS 18 0.104 -4.416 4.853 119 HE1 HIS 18 1HE HIS 18 -2.220 -7.880 5.380 120 H ALA 19 HN ALA 19 -4.262 -2.319 1.232 121 HA ALA 19 HA ALA 19 -3.336 0.345 1.368 122 HB1 ALA 19 1HB ALA 19 -5.379 -0.845 -0.478 123 HB2 ALA 19 2HB ALA 19 -3.631 -0.865 -0.712 124 HB3 ALA 19 3HB ALA 19 -4.504 0.667 -0.718 125 H ARG 20 HN ARG 20 -4.278 1.939 2.615 126 HA ARG 20 HA ARG 20 -7.173 2.053 2.920 127 HB2 ARG 20 2HB ARG 20 -5.576 2.911 4.681 128 HB3 ARG 20 1HB ARG 20 -5.167 4.227 3.579 129 HG2 ARG 20 2HG ARG 20 -7.553 4.895 3.569 130 HG3 ARG 20 1HG ARG 20 -7.880 3.636 4.757 131 HD2 ARG 20 2HD ARG 20 -7.666 5.700 5.929 132 HD3 ARG 20 1HD ARG 20 -6.221 4.751 6.261 133 HE ARG 20 HE ARG 20 -5.701 6.339 4.065 134 HH11 ARG 20 1HH1 ARG 20 -6.311 6.727 7.528 135 HH12 ARG 20 2HH1 ARG 20 -5.577 8.242 7.690 136 HH21 ARG 20 1HH2 ARG 20 -4.654 8.519 4.255 137 HH22 ARG 20 2HH2 ARG 20 -4.592 9.276 5.771 138 H CYS 21 HN CYS 21 -4.626 3.541 1.074 139 HA CYS 21 HA CYS 21 -6.659 4.852 -0.587 140 HB2 CYS 21 2HB CYS 21 -3.850 5.872 -0.101 141 HB3 CYS 21 1HB CYS 21 -5.138 6.692 -0.974 142 H CYS 22 HN CYS 22 -3.113 4.245 -0.887 143 HA CYS 22 HA CYS 22 -3.671 3.136 -3.518 144 HB2 CYS 22 2HB CYS 22 -2.531 5.351 -3.472 145 HB3 CYS 22 1HB CYS 22 -1.231 4.623 -2.542 146 HN1 NH2 23 1H CYS 22 -3.449 1.012 -3.393 147 HN2 NH2 23 2H CYS 22 -2.284 0.144 -2.455 Start of MODEL 19 1 H1 ARG 1 1HT ARG 1 -1.212 3.152 8.287 2 H2 ARG 1 2HT ARG 1 -0.159 4.128 9.108 3 H3 ARG 1 3HT ARG 1 -0.360 2.533 9.609 4 HA ARG 1 HA ARG 1 1.712 2.876 8.370 5 HB2 ARG 1 2HB ARG 1 -0.412 1.205 7.023 6 HB3 ARG 1 1HB ARG 1 1.238 1.223 6.457 7 HG2 ARG 1 2HG ARG 1 0.546 0.537 9.304 8 HG3 ARG 1 1HG ARG 1 0.577 -0.665 8.020 9 HD2 ARG 1 2HD ARG 1 2.695 -0.664 9.232 10 HD3 ARG 1 1HD ARG 1 2.914 -0.131 7.568 11 HE ARG 1 HE ARG 1 2.626 1.945 9.573 12 HH11 ARG 1 1HH1 ARG 1 4.932 -0.061 7.765 13 HH12 ARG 1 2HH1 ARG 1 6.211 1.058 7.878 14 HH21 ARG 1 1HH2 ARG 1 4.412 3.513 9.677 15 HH22 ARG 1 2HH2 ARG 1 5.893 3.112 8.961 16 H GLY 2 HN GLY 2 2.324 2.789 5.780 17 HA2 GLY 2 2HA GLY 2 1.315 5.363 4.900 18 HA3 GLY 2 1HA GLY 2 2.860 4.653 4.519 19 H CYS 3 HN CYS 3 -0.479 3.770 4.197 20 HA CYS 3 HA CYS 3 0.176 2.853 1.483 21 HB2 CYS 3 2HB CYS 3 -2.144 1.954 3.175 22 HB3 CYS 3 1HB CYS 3 -1.639 1.306 1.626 23 H CYS 4 HN CYS 4 -0.746 5.338 2.771 24 HA CYS 4 HA CYS 4 -2.252 6.156 0.392 25 HB2 CYS 4 2HB CYS 4 -2.296 7.578 3.101 26 HB3 CYS 4 1HB CYS 4 -3.180 8.059 1.670 27 H ASN 5 HN ASN 5 0.048 6.942 2.887 28 HA ASN 5 HA ASN 5 2.049 7.847 1.092 29 HB2 ASN 5 2HB ASN 5 0.799 9.860 1.282 30 HB3 ASN 5 1HB ASN 5 0.645 9.687 3.014 31 HD21 ASN 5 1HD2 ASN 5 2.894 10.529 0.459 32 HD22 ASN 5 2HD2 ASN 5 4.074 11.245 1.481 33 H GLY 6 HN GLY 6 3.720 6.750 1.980 34 HA2 GLY 6 2HA GLY 6 5.052 7.413 4.188 35 HA3 GLY 6 1HA GLY 6 3.809 6.407 4.887 36 H ARG 7 HN ARG 7 3.803 4.349 2.724 37 HA ARG 7 HA ARG 7 6.274 3.208 3.549 38 HB2 ARG 7 2HB ARG 7 3.822 1.984 2.330 39 HB3 ARG 7 1HB ARG 7 5.344 1.108 2.344 40 HG2 ARG 7 2HG ARG 7 5.214 1.700 4.933 41 HG3 ARG 7 1HG ARG 7 3.492 1.824 4.546 42 HD2 ARG 7 2HD ARG 7 4.015 -0.468 5.310 43 HD3 ARG 7 1HD ARG 7 3.552 -0.479 3.619 44 HE ARG 7 HE ARG 7 6.273 -0.203 3.604 45 HH11 ARG 7 1HH1 ARG 7 4.184 -2.630 5.113 46 HH12 ARG 7 2HH1 ARG 7 5.193 -3.932 4.703 47 HH21 ARG 7 1HH2 ARG 7 7.710 -2.001 3.177 48 HH22 ARG 7 2HH2 ARG 7 7.240 -3.566 3.623 49 H GLY 8 HN GLY 8 7.353 1.790 1.762 50 HA2 GLY 8 2HA GLY 8 8.120 3.669 -0.261 51 HA3 GLY 8 1HA GLY 8 8.831 2.089 0.025 52 H GLY 9 HN GLY 9 5.937 3.642 -1.266 53 HA2 GLY 9 2HA GLY 9 5.299 3.298 -3.530 54 HA3 GLY 9 1HA GLY 9 6.051 1.712 -3.463 55 H CYS 10 HN CYS 10 3.420 2.434 -4.309 56 HA CYS 10 HA CYS 10 1.601 1.432 -2.292 57 HB2 CYS 10 2HB CYS 10 1.136 2.126 -5.195 58 HB3 CYS 10 1HB CYS 10 -0.107 1.854 -3.976 59 H SER 11 HN SER 11 3.617 0.239 -4.705 60 HA SER 11 HA SER 11 2.144 -2.167 -5.275 61 HB2 SER 11 2HB SER 11 3.647 -1.025 -6.952 62 HB3 SER 11 1HB SER 11 5.020 -1.447 -5.936 63 HG SER 11 HG SER 11 4.812 -2.907 -7.575 64 H SER 12 HN SER 12 3.849 -1.065 -2.652 65 HA SER 12 HA SER 12 5.305 -3.371 -1.876 66 HB2 SER 12 2HB SER 12 5.360 -0.917 -0.866 67 HB3 SER 12 1HB SER 12 3.951 -1.531 0.027 68 HG SER 12 HG SER 12 6.616 -2.327 0.168 69 H ARG 13 HN ARG 13 4.569 -4.907 -0.399 70 HA ARG 13 HA ARG 13 2.092 -5.984 -1.289 71 HB2 ARG 13 2HB ARG 13 3.857 -6.978 0.936 72 HB3 ARG 13 1HB ARG 13 2.500 -7.863 0.257 73 HG2 ARG 13 2HG ARG 13 4.981 -7.028 -1.240 74 HG3 ARG 13 1HG ARG 13 4.622 -8.653 -0.656 75 HD2 ARG 13 2HD ARG 13 2.662 -8.735 -2.119 76 HD3 ARG 13 1HD ARG 13 3.007 -7.103 -2.687 77 HE ARG 13 HE ARG 13 5.196 -8.881 -3.016 78 HH11 ARG 13 1HH1 ARG 13 2.118 -7.943 -4.491 79 HH12 ARG 13 2HH1 ARG 13 2.622 -8.273 -6.084 80 HH21 ARG 13 1HH2 ARG 13 5.855 -9.391 -5.206 81 HH22 ARG 13 2HH2 ARG 13 4.767 -9.148 -6.492 82 H TRP 14 HN TRP 14 2.979 -4.562 1.775 83 HA TRP 14 HA TRP 14 0.587 -5.058 3.212 84 HB2 TRP 14 2HB TRP 14 2.938 -3.938 3.860 85 HB3 TRP 14 1HB TRP 14 2.043 -2.468 3.525 86 HD1 TRP 14 1HD TRP 14 2.765 -4.899 6.147 87 HE1 TRP 14 1HE TRP 14 1.326 -4.513 8.247 88 HE3 TRP 14 3HE TRP 14 -0.605 -1.597 4.221 89 HZ2 TRP 14 2HZ TRP 14 -0.929 -2.992 8.990 90 HZ3 TRP 14 3HZ TRP 14 -2.363 -0.716 5.686 91 HH2 TRP 14 2HH TRP 14 -2.520 -1.398 8.024 92 H CYS 15 HN CYS 15 1.556 -2.353 1.206 93 HA CYS 15 HA CYS 15 -0.897 -0.998 1.572 94 HB2 CYS 15 2HB CYS 15 1.473 -0.564 -0.122 95 HB3 CYS 15 1HB CYS 15 0.113 0.560 0.053 96 H ARG 16 HN ARG 16 0.265 -3.283 -0.629 97 HA ARG 16 HA ARG 16 -1.643 -2.572 -2.682 98 HB2 ARG 16 2HB ARG 16 0.578 -3.842 -3.047 99 HB3 ARG 16 1HB ARG 16 -0.233 -5.240 -2.380 100 HG2 ARG 16 2HG ARG 16 -1.124 -3.775 -4.877 101 HG3 ARG 16 1HG ARG 16 -0.108 -5.207 -4.872 102 HD2 ARG 16 2HD ARG 16 -2.953 -5.012 -3.868 103 HD3 ARG 16 1HD ARG 16 -2.429 -5.787 -5.362 104 HE ARG 16 HE ARG 16 -1.011 -7.129 -3.599 105 HH11 ARG 16 1HH1 ARG 16 -4.437 -6.288 -3.527 106 HH12 ARG 16 2HH1 ARG 16 -4.912 -7.621 -2.577 107 HH21 ARG 16 1HH2 ARG 16 -1.637 -8.985 -2.309 108 HH22 ARG 16 2HH2 ARG 16 -3.269 -9.204 -1.864 109 H ASP 17 HN ASP 17 -1.385 -4.917 -0.055 110 HA ASP 17 HA ASP 17 -3.921 -6.130 -0.717 111 HB2 ASP 17 2HB ASP 17 -1.920 -7.310 0.417 112 HB3 ASP 17 1HB ASP 17 -2.453 -6.499 1.878 113 H HIS 18 HN HIS 18 -2.660 -4.171 1.948 114 HA HIS 18 HA HIS 18 -5.381 -3.820 2.982 115 HB2 HIS 18 2HB HIS 18 -2.821 -2.947 4.327 116 HB3 HIS 18 1HB HIS 18 -4.381 -3.248 5.064 117 HD1 HIS 18 1HD HIS 18 -4.783 -6.223 4.010 118 HD2 HIS 18 2HD HIS 18 -1.273 -4.677 5.578 119 HE1 HIS 18 1HE HIS 18 -3.490 -8.190 4.872 120 H ALA 19 HN ALA 19 -4.512 -2.538 0.647 121 HA ALA 19 HA ALA 19 -3.495 0.029 0.816 122 HB1 ALA 19 1HB ALA 19 -4.654 0.498 -1.244 123 HB2 ALA 19 2HB ALA 19 -5.668 -0.939 -1.036 124 HB3 ALA 19 3HB ALA 19 -3.922 -1.106 -1.289 125 H ARG 20 HN ARG 20 -4.199 1.664 1.980 126 HA ARG 20 HA ARG 20 -6.977 1.809 2.728 127 HB2 ARG 20 2HB ARG 20 -4.714 3.676 3.449 128 HB3 ARG 20 1HB ARG 20 -6.325 3.682 4.153 129 HG2 ARG 20 2HG ARG 20 -4.254 1.516 4.405 130 HG3 ARG 20 1HG ARG 20 -4.813 2.611 5.668 131 HD2 ARG 20 2HD ARG 20 -7.053 1.621 5.515 132 HD3 ARG 20 1HD ARG 20 -6.468 0.520 4.263 133 HE ARG 20 HE ARG 20 -5.126 0.556 6.814 134 HH11 ARG 20 1HH1 ARG 20 -7.318 -1.146 4.625 135 HH12 ARG 20 2HH1 ARG 20 -7.226 -2.634 5.432 136 HH21 ARG 20 1HH2 ARG 20 -4.996 -1.548 7.953 137 HH22 ARG 20 2HH2 ARG 20 -5.878 -2.858 7.339 138 H CYS 21 HN CYS 21 -4.625 3.463 0.740 139 HA CYS 21 HA CYS 21 -6.825 4.800 -0.675 140 HB2 CYS 21 2HB CYS 21 -4.179 6.155 -0.110 141 HB3 CYS 21 1HB CYS 21 -5.610 6.863 -0.832 142 H CYS 22 HN CYS 22 -3.322 4.054 -0.626 143 HA CYS 22 HA CYS 22 -3.437 3.434 -3.474 144 HB2 CYS 22 2HB CYS 22 -2.455 5.721 -2.967 145 HB3 CYS 22 1HB CYS 22 -1.209 4.903 -2.043 146 HN1 NH2 23 1H CYS 22 -3.229 1.266 -3.306 147 HN2 NH2 23 2H CYS 22 -2.069 0.424 -2.347 Start of MODEL 20 1 H1 ARG 1 1HT ARG 1 0.227 1.910 9.406 2 H2 ARG 1 2HT ARG 1 0.437 3.601 9.235 3 H3 ARG 1 3HT ARG 1 1.626 2.553 8.734 4 HA ARG 1 HA ARG 1 0.417 1.721 6.996 5 HB2 ARG 1 2HB ARG 1 -1.833 2.729 6.443 6 HB3 ARG 1 1HB ARG 1 -1.799 1.579 7.757 7 HG2 ARG 1 2HG ARG 1 -1.883 3.425 9.371 8 HG3 ARG 1 1HG ARG 1 -1.894 4.580 8.036 9 HD2 ARG 1 2HD ARG 1 -4.148 4.066 8.982 10 HD3 ARG 1 1HD ARG 1 -3.990 3.771 7.251 11 HE ARG 1 HE ARG 1 -3.430 1.450 8.798 12 HH11 ARG 1 1HH1 ARG 1 -6.177 3.405 7.715 13 HH12 ARG 1 2HH1 ARG 1 -7.181 2.052 7.438 14 HH21 ARG 1 1HH2 ARG 1 -4.853 -0.395 8.360 15 HH22 ARG 1 2HH2 ARG 1 -6.418 -0.093 7.770 16 H GLY 2 HN GLY 2 1.506 2.571 5.345 17 HA2 GLY 2 2HA GLY 2 1.292 5.465 5.020 18 HA3 GLY 2 1HA GLY 2 2.723 4.522 4.644 19 H CYS 3 HN CYS 3 -0.525 3.635 4.001 20 HA CYS 3 HA CYS 3 0.164 3.290 1.192 21 HB2 CYS 3 2HB CYS 3 -2.377 2.513 2.636 22 HB3 CYS 3 1HB CYS 3 -1.912 2.060 1.001 23 H CYS 4 HN CYS 4 -0.902 5.684 2.978 24 HA CYS 4 HA CYS 4 -2.139 6.932 0.636 25 HB2 CYS 4 2HB CYS 4 -2.433 7.775 3.540 26 HB3 CYS 4 1HB CYS 4 -3.263 8.480 2.158 27 H ASN 5 HN ASN 5 0.309 6.928 3.051 28 HA ASN 5 HA ASN 5 2.224 8.369 1.615 29 HB2 ASN 5 2HB ASN 5 0.665 10.213 2.316 30 HB3 ASN 5 1HB ASN 5 1.023 9.812 3.978 31 HD21 ASN 5 1HD2 ASN 5 1.486 12.298 2.575 32 HD22 ASN 5 2HD2 ASN 5 3.170 12.627 2.720 33 H GLY 6 HN GLY 6 3.911 7.048 2.313 34 HA2 GLY 6 2HA GLY 6 5.312 7.254 4.501 35 HA3 GLY 6 1HA GLY 6 3.965 6.354 5.169 36 H ARG 7 HN ARG 7 3.574 4.569 2.983 37 HA ARG 7 HA ARG 7 5.734 2.785 3.647 38 HB2 ARG 7 2HB ARG 7 3.481 1.969 3.869 39 HB3 ARG 7 1HB ARG 7 3.119 2.336 2.192 40 HG2 ARG 7 2HG ARG 7 3.380 -0.048 2.504 41 HG3 ARG 7 1HG ARG 7 4.692 0.562 1.506 42 HD2 ARG 7 2HD ARG 7 5.414 -1.109 3.186 43 HD3 ARG 7 1HD ARG 7 6.223 0.448 3.380 44 HE ARG 7 HE ARG 7 4.195 0.626 5.122 45 HH11 ARG 7 1HH1 ARG 7 6.328 -2.117 4.513 46 HH12 ARG 7 2HH1 ARG 7 6.547 -2.502 6.149 47 HH21 ARG 7 1HH2 ARG 7 4.448 0.052 7.401 48 HH22 ARG 7 2HH2 ARG 7 5.394 -1.292 7.820 49 H GLY 8 HN GLY 8 7.083 1.897 2.074 50 HA2 GLY 8 2HA GLY 8 7.674 3.637 -0.106 51 HA3 GLY 8 1HA GLY 8 8.530 2.165 0.314 52 H GLY 9 HN GLY 9 5.749 3.457 -1.343 53 HA2 GLY 9 2HA GLY 9 5.458 2.847 -3.635 54 HA3 GLY 9 1HA GLY 9 5.990 1.219 -3.226 55 H CYS 10 HN CYS 10 3.532 2.402 -4.449 56 HA CYS 10 HA CYS 10 1.394 1.887 -2.634 57 HB2 CYS 10 2HB CYS 10 1.443 2.140 -5.635 58 HB3 CYS 10 1HB CYS 10 -0.025 1.904 -4.703 59 H SER 11 HN SER 11 3.190 0.013 -4.864 60 HA SER 11 HA SER 11 1.220 -2.127 -4.731 61 HB2 SER 11 2HB SER 11 2.208 -1.189 -6.935 62 HB3 SER 11 1HB SER 11 3.649 -2.106 -6.508 63 HG SER 11 HG SER 11 2.650 -3.920 -6.919 64 H SER 12 HN SER 12 3.406 -1.297 -2.623 65 HA SER 12 HA SER 12 5.143 -3.481 -2.419 66 HB2 SER 12 2HB SER 12 5.319 -2.581 -0.095 67 HB3 SER 12 1HB SER 12 5.605 -1.352 -1.332 68 HG SER 12 HG SER 12 3.894 -0.316 -0.676 69 H ARG 13 HN ARG 13 4.814 -5.259 -0.890 70 HA ARG 13 HA ARG 13 2.338 -6.522 -1.150 71 HB2 ARG 13 2HB ARG 13 4.446 -7.059 0.929 72 HB3 ARG 13 1HB ARG 13 3.139 -8.151 0.499 73 HG2 ARG 13 2HG ARG 13 4.039 -8.285 -1.791 74 HG3 ARG 13 1HG ARG 13 5.382 -7.255 -1.296 75 HD2 ARG 13 2HD ARG 13 6.040 -9.575 -1.249 76 HD3 ARG 13 1HD ARG 13 6.019 -8.924 0.389 77 HE ARG 13 HE ARG 13 3.804 -10.491 -0.732 78 HH11 ARG 13 1HH1 ARG 13 6.043 -9.849 1.950 79 HH12 ARG 13 2HH1 ARG 13 5.453 -11.123 2.915 80 HH21 ARG 13 1HH2 ARG 13 2.973 -12.144 0.622 81 HH22 ARG 13 2HH2 ARG 13 3.621 -12.412 2.191 82 H TRP 14 HN TRP 14 3.390 -4.383 1.343 83 HA TRP 14 HA TRP 14 1.284 -4.892 3.243 84 HB2 TRP 14 2HB TRP 14 3.617 -3.576 3.409 85 HB3 TRP 14 1HB TRP 14 2.601 -2.222 2.943 86 HD1 TRP 14 1HD TRP 14 3.681 -4.236 5.829 87 HE1 TRP 14 1HE TRP 14 2.446 -3.505 7.983 88 HE3 TRP 14 3HE TRP 14 0.102 -1.253 3.759 89 HZ2 TRP 14 2HZ TRP 14 0.262 -1.896 8.690 90 HZ3 TRP 14 3HZ TRP 14 -1.516 -0.161 5.242 91 HH2 TRP 14 2HH TRP 14 -1.431 -0.482 7.662 92 H CYS 15 HN CYS 15 1.778 -2.197 1.025 93 HA CYS 15 HA CYS 15 -0.823 -1.242 1.405 94 HB2 CYS 15 2HB CYS 15 1.410 -0.635 -0.413 95 HB3 CYS 15 1HB CYS 15 -0.138 0.190 -0.549 96 H ARG 16 HN ARG 16 0.516 -3.487 -0.749 97 HA ARG 16 HA ARG 16 -1.437 -3.400 -2.783 98 HB2 ARG 16 2HB ARG 16 0.749 -4.645 -2.802 99 HB3 ARG 16 1HB ARG 16 0.015 -5.820 -1.729 100 HG2 ARG 16 2HG ARG 16 -1.656 -6.308 -3.478 101 HG3 ARG 16 1HG ARG 16 -0.799 -5.197 -4.554 102 HD2 ARG 16 2HD ARG 16 0.292 -7.703 -3.292 103 HD3 ARG 16 1HD ARG 16 -0.064 -7.447 -4.999 104 HE ARG 16 HE ARG 16 1.722 -5.505 -4.465 105 HH11 ARG 16 1HH1 ARG 16 1.784 -8.999 -3.901 106 HH12 ARG 16 2HH1 ARG 16 3.463 -9.136 -4.016 107 HH21 ARG 16 1HH2 ARG 16 4.004 -5.669 -4.582 108 HH22 ARG 16 2HH2 ARG 16 4.795 -7.174 -4.403 109 H ASP 17 HN ASP 17 -1.211 -5.059 0.295 110 HA ASP 17 HA ASP 17 -3.771 -6.397 -0.087 111 HB2 ASP 17 2HB ASP 17 -1.678 -7.387 1.140 112 HB3 ASP 17 1HB ASP 17 -2.193 -6.364 2.454 113 H HIS 18 HN HIS 18 -2.337 -3.873 1.887 114 HA HIS 18 HA HIS 18 -4.861 -3.447 3.327 115 HB2 HIS 18 2HB HIS 18 -2.126 -2.376 4.026 116 HB3 HIS 18 1HB HIS 18 -3.538 -2.447 5.057 117 HD1 HIS 18 1HD HIS 18 -4.116 -5.558 4.547 118 HD2 HIS 18 2HD HIS 18 -0.462 -3.885 5.495 119 HE1 HIS 18 1HE HIS 18 -2.784 -7.402 5.615 120 H ALA 19 HN ALA 19 -4.413 -2.430 0.658 121 HA ALA 19 HA ALA 19 -3.553 0.244 0.547 122 HB1 ALA 19 1HB ALA 19 -5.632 -1.008 -1.228 123 HB2 ALA 19 2HB ALA 19 -3.884 -1.153 -1.443 124 HB3 ALA 19 3HB ALA 19 -4.660 0.427 -1.567 125 H ARG 20 HN ARG 20 -4.391 1.507 2.168 126 HA ARG 20 HA ARG 20 -7.218 1.878 2.411 127 HB2 ARG 20 2HB ARG 20 -5.687 2.319 4.327 128 HB3 ARG 20 1HB ARG 20 -4.987 3.663 3.441 129 HG2 ARG 20 2HG ARG 20 -6.569 4.462 5.112 130 HG3 ARG 20 1HG ARG 20 -7.147 4.824 3.485 131 HD2 ARG 20 2HD ARG 20 -8.613 2.834 3.589 132 HD3 ARG 20 1HD ARG 20 -8.058 2.532 5.233 133 HE ARG 20 HE ARG 20 -9.020 5.120 5.150 134 HH11 ARG 20 1HH1 ARG 20 -10.309 1.851 4.743 135 HH12 ARG 20 2HH1 ARG 20 -11.878 2.223 5.234 136 HH21 ARG 20 1HH2 ARG 20 -11.217 5.652 5.869 137 HH22 ARG 20 2HH2 ARG 20 -12.426 4.457 5.907 138 H CYS 21 HN CYS 21 -4.619 3.454 0.673 139 HA CYS 21 HA CYS 21 -6.649 4.990 -0.795 140 HB2 CYS 21 2HB CYS 21 -3.904 6.022 -0.026 141 HB3 CYS 21 1HB CYS 21 -5.110 6.903 -0.951 142 H CYS 22 HN CYS 22 -3.114 4.432 -0.979 143 HA CYS 22 HA CYS 22 -3.491 3.277 -3.625 144 HB2 CYS 22 2HB CYS 22 -2.695 5.665 -3.762 145 HB3 CYS 22 1HB CYS 22 -1.302 5.230 -2.796 146 HN1 NH2 23 1H CYS 22 -0.533 3.903 -1.741 147 HN2 NH2 23 2H CYS 22 -0.212 2.247 -1.393
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