NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653520 | 6xti | 34479 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.592 1.740 0.487 2 HA2 GLY 1 1HA GLY 1 1.967 -0.457 -0.811 3 HA3 GLY 1 2HA GLY 1 2.117 0.599 -2.212 4 H GLY 2 H GLY 2 4.258 0.789 0.658 5 HA2 GLY 2 1HA GLY 2 6.447 0.025 -1.221 6 HA3 GLY 2 2HA GLY 2 6.550 1.373 -0.111 7 H GLY 3 H GLY 3 5.276 -0.510 2.054 8 HA2 GLY 3 1HA GLY 3 7.906 -1.795 2.674 9 HA3 GLY 3 2HA GLY 3 6.828 -1.085 3.875 10 H GLY 4 H GLY 4 6.411 -2.824 5.154 11 HA2 GLY 4 1HA GLY 4 5.830 -5.446 4.126 12 HA3 GLY 4 2HA GLY 4 5.559 -4.875 5.779 13 H ARG 5 H ARG 5 3.463 -4.455 6.427 14 HA ARG 5 HA ARG 5 1.411 -3.940 4.359 15 HB2 ARG 5 1HB ARG 5 1.485 -6.336 6.186 16 HB3 ARG 5 2HB ARG 5 -0.059 -5.553 5.868 17 HG2 ARG 5 1HG ARG 5 -0.160 -7.035 4.183 18 HG3 ARG 5 2HG ARG 5 0.748 -5.783 3.332 19 HD2 ARG 5 1HD ARG 5 1.842 -7.817 2.859 20 HD3 ARG 5 2HD ARG 5 2.866 -6.994 4.046 21 HE ARG 5 HE ARG 5 1.066 -8.677 5.443 22 HH11 ARG 5 1HH1 ARG 5 3.823 -9.027 3.256 23 HH12 ARG 5 2HH1 ARG 5 4.261 -10.586 3.935 24 HH21 ARG 5 1HH2 ARG 5 1.683 -10.635 6.243 25 HH22 ARG 5 2HH2 ARG 5 3.072 -11.481 5.580 26 H GLY 6 H GLY 6 -0.215 -2.607 5.055 27 HA2 GLY 6 1HA GLY 6 -1.103 -1.903 7.526 28 HA3 GLY 6 2HA GLY 6 0.491 -1.126 7.466 29 H TYR 7 H TYR 7 -0.068 1.007 7.297 30 HA TYR 7 HA TYR 7 -2.184 2.053 5.710 31 HB2 TYR 7 1HB TYR 7 0.238 3.086 7.094 32 HB3 TYR 7 2HB TYR 7 -0.326 4.063 5.739 33 HD1 TYR 7 HD1 TYR 7 -1.255 2.759 9.082 34 HD2 TYR 7 HD2 TYR 7 -2.405 5.286 5.826 35 HE1 TYR 7 HE1 TYR 7 -3.003 3.786 10.489 36 HE2 TYR 7 HE2 TYR 7 -4.164 6.290 7.230 37 HH TYR 7 HH TYR 7 -5.161 6.350 9.270 38 H GLU 8 H GLU 8 -1.921 3.506 3.862 39 HA GLU 8 HA GLU 8 -1.280 4.067 1.757 40 HB2 GLU 8 1HB GLU 8 1.121 3.718 2.416 41 HB3 GLU 8 2HB GLU 8 0.997 2.057 1.861 42 HG2 GLU 8 1HG GLU 8 0.062 4.176 -0.067 43 HG3 GLU 8 2HG GLU 8 1.790 4.151 0.280 44 H TYR 9 H TYR 9 -3.200 3.413 1.123 45 HA TYR 9 HA TYR 9 -4.750 2.197 -0.047 46 HB2 TYR 9 1HB TYR 9 -2.326 1.907 -1.429 47 HB3 TYR 9 2HB TYR 9 -2.966 0.277 -1.358 48 HD1 TYR 9 HD1 TYR 9 -5.364 -0.113 -2.237 49 HD2 TYR 9 HD2 TYR 9 -3.226 3.532 -2.900 50 HE1 TYR 9 HE1 TYR 9 -6.913 0.464 -4.062 51 HE2 TYR 9 HE2 TYR 9 -4.774 4.099 -4.736 52 HH TYR 9 HH TYR 9 -7.457 1.952 -5.688 53 H ASN 10 H ASN 10 -4.318 -0.785 -0.647 54 HA ASN 10 HA ASN 10 -4.504 -1.759 2.176 55 HB2 ASN 10 1HB ASN 10 -6.209 -3.304 1.478 56 HB3 ASN 10 2HB ASN 10 -6.690 -1.696 0.915 57 HD21 ASN 10 1HD2 ASN 10 -6.308 -4.741 -1.680 58 HD22 ASN 10 2HD2 ASN 10 -6.075 -4.939 0.048 59 H LYS 11 H LYS 11 -2.193 -1.601 0.240 60 HA LYS 11 HA LYS 11 -1.815 -4.496 -0.377 61 HB2 LYS 11 1HB LYS 11 -0.620 -1.985 -1.602 62 HB3 LYS 11 2HB LYS 11 -0.097 -3.618 -2.013 63 HG2 LYS 11 1HG LYS 11 -2.923 -2.578 -2.402 64 HG3 LYS 11 2HG LYS 11 -1.664 -2.589 -3.647 65 HD2 LYS 11 1HD LYS 11 -1.472 -5.059 -3.396 66 HD3 LYS 11 2HD LYS 11 -2.825 -5.022 -2.247 67 HE2 LYS 11 1HE LYS 11 -4.271 -4.035 -3.990 68 HE3 LYS 11 2HE LYS 11 -2.923 -4.092 -5.138 69 HZ1 LYS 11 1HZ LYS 11 -2.855 -6.509 -4.868 70 HZ2 LYS 11 2HZ LYS 11 -4.068 -6.477 -3.762 71 HZ3 LYS 11 3HZ LYS 11 -4.369 -6.072 -5.325 72 H GLN 12 H GLN 12 0.375 -1.737 0.290 73 HA GLN 12 HA GLN 12 1.869 -3.463 2.180 74 HB2 GLN 12 1HB GLN 12 2.902 -2.289 -0.405 75 HB3 GLN 12 2HB GLN 12 3.983 -2.497 0.973 76 HG2 GLN 12 1HG GLN 12 4.307 -4.600 0.396 77 HG3 GLN 12 2HG GLN 12 2.600 -4.950 0.683 78 HE21 GLN 12 1HE2 GLN 12 4.063 -4.551 -3.130 79 HE22 GLN 12 2HE2 GLN 12 5.024 -4.085 -1.739 80 H CYS 13 H CYS 13 3.461 -2.233 3.434 81 HA CYS 13 HA CYS 13 2.063 -0.150 4.702 82 HB2 CYS 13 1HB CYS 13 4.529 -1.593 5.026 83 HB3 CYS 13 2HB CYS 13 4.824 0.120 5.342 84 H LEU 14 H LEU 14 2.726 2.000 5.247 85 HA LEU 14 HA LEU 14 3.485 3.562 2.893 86 HB2 LEU 14 1HB LEU 14 1.603 4.119 4.436 87 HB3 LEU 14 2HB LEU 14 2.767 4.414 5.711 88 HG LEU 14 HG LEU 14 3.599 6.385 4.584 89 HD11 LEU 14 1HD1 LEU 14 3.332 5.704 2.218 90 HD12 LEU 14 2HD1 LEU 14 1.562 5.836 2.394 91 HD13 LEU 14 3HD1 LEU 14 2.587 7.277 2.556 92 HD21 LEU 14 1HD2 LEU 14 1.620 6.520 6.047 93 HD22 LEU 14 2HD2 LEU 14 1.559 7.734 4.754 94 HD23 LEU 14 3HD2 LEU 14 0.561 6.267 4.638 95 H ILE 15 H ILE 15 5.555 2.106 3.363 96 HA ILE 15 HA ILE 15 7.807 2.158 3.504 97 HB ILE 15 HB ILE 15 7.549 5.120 4.130 98 HG12 ILE 15 1HG1 ILE 15 8.211 3.782 1.489 99 HG13 ILE 15 2HG1 ILE 15 6.576 4.280 1.924 100 HG21 ILE 15 1HG2 ILE 15 9.914 5.221 3.398 101 HG22 ILE 15 2HG2 ILE 15 9.717 4.204 4.831 102 HG23 ILE 15 3HG2 ILE 15 9.934 3.450 3.235 103 HD11 ILE 15 1HD1 ILE 15 7.386 6.621 2.182 104 HD12 ILE 15 2HD1 ILE 15 8.969 6.093 1.559 105 HD13 ILE 15 3HD1 ILE 15 7.523 5.968 0.535 106 H PHE 16 H PHE 16 6.609 4.252 6.170 107 HA PHE 16 HA PHE 16 8.733 3.201 7.912 108 HB2 PHE 16 1HB PHE 16 6.577 5.293 8.342 109 HB3 PHE 16 2HB PHE 16 7.798 4.851 9.540 110 HD1 PHE 16 HD1 PHE 16 10.037 5.680 9.400 111 HD2 PHE 16 HD2 PHE 16 7.282 6.389 6.215 112 HE1 PHE 16 HE1 PHE 16 11.634 7.253 8.375 113 HE2 PHE 16 HE2 PHE 16 8.897 7.913 5.149 114 HZ PHE 16 HZ PHE 16 11.076 8.365 6.235 115 H CYS 17 H CYS 17 7.629 1.007 7.539 116 HA CYS 17 HA CYS 17 5.047 0.528 8.690 117 HB2 CYS 17 1HB CYS 17 6.568 -0.893 6.984 118 HB3 CYS 17 2HB CYS 17 7.025 -1.728 8.483 119 HC CYS 17 HC CYS 17 5.742 0.520 11.036 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.964 0.344 -1.637 2 HA2 GLY 1 1HA GLY 1 4.163 2.038 0.301 3 HA3 GLY 1 2HA GLY 1 3.613 0.548 1.091 4 H GLY 2 H GLY 2 6.151 0.706 1.340 5 HA2 GLY 2 1HA GLY 2 7.664 -0.016 -1.015 6 HA3 GLY 2 2HA GLY 2 8.260 0.101 0.636 7 H GLY 3 H GLY 3 5.859 -1.980 1.163 8 HA2 GLY 3 1HA GLY 3 6.054 -4.349 0.015 9 HA3 GLY 3 2HA GLY 3 7.668 -4.288 0.716 10 H GLY 4 H GLY 4 6.697 -2.847 3.143 11 HA2 GLY 4 1HA GLY 4 5.882 -5.202 4.661 12 HA3 GLY 4 2HA GLY 4 6.145 -3.561 5.290 13 H ARG 5 H ARG 5 4.114 -4.113 6.541 14 HA ARG 5 HA ARG 5 1.696 -3.607 4.861 15 HB2 ARG 5 1HB ARG 5 0.408 -4.920 6.396 16 HB3 ARG 5 2HB ARG 5 1.787 -5.875 5.845 17 HG2 ARG 5 1HG ARG 5 2.968 -5.317 7.979 18 HG3 ARG 5 2HG ARG 5 1.495 -4.496 8.534 19 HD2 ARG 5 1HD ARG 5 0.241 -6.627 8.220 20 HD3 ARG 5 2HD ARG 5 1.753 -7.427 7.770 21 HE ARG 5 HE ARG 5 0.880 -6.624 10.446 22 HH11 ARG 5 1HH1 ARG 5 3.659 -7.660 8.506 23 HH12 ARG 5 2HH1 ARG 5 4.566 -8.131 9.934 24 HH21 ARG 5 1HH2 ARG 5 2.071 -7.287 12.172 25 HH22 ARG 5 2HH2 ARG 5 3.686 -7.941 11.954 26 H GLY 6 H GLY 6 -0.019 -2.388 5.788 27 HA2 GLY 6 1HA GLY 6 -0.631 -1.180 7.964 28 HA3 GLY 6 2HA GLY 6 0.961 -0.436 7.822 29 H TYR 7 H TYR 7 -2.151 -0.815 6.163 30 HA TYR 7 HA TYR 7 -3.454 0.633 5.050 31 HB2 TYR 7 1HB TYR 7 -2.351 2.203 6.888 32 HB3 TYR 7 2HB TYR 7 -1.737 3.034 5.472 33 HD1 TYR 7 HD1 TYR 7 -4.566 2.475 7.617 34 HD2 TYR 7 HD2 TYR 7 -3.510 3.735 3.666 35 HE1 TYR 7 HE1 TYR 7 -6.752 3.586 7.384 36 HE2 TYR 7 HE2 TYR 7 -5.684 4.872 3.453 37 HH TYR 7 HH TYR 7 -8.111 4.839 6.067 38 H GLU 8 H GLU 8 -1.151 2.922 3.931 39 HA GLU 8 HA GLU 8 -0.617 3.488 1.796 40 HB2 GLU 8 1HB GLU 8 0.837 1.296 2.384 41 HB3 GLU 8 2HB GLU 8 -0.061 0.633 1.026 42 HG2 GLU 8 1HG GLU 8 0.804 3.224 0.181 43 HG3 GLU 8 2HG GLU 8 2.166 2.566 1.073 44 H TYR 9 H TYR 9 -0.848 1.786 -0.611 45 HA TYR 9 HA TYR 9 -3.398 2.791 -1.418 46 HB2 TYR 9 1HB TYR 9 -1.340 2.365 -2.841 47 HB3 TYR 9 2HB TYR 9 -1.727 0.647 -2.773 48 HD1 TYR 9 HD1 TYR 9 -2.857 3.941 -4.055 49 HD2 TYR 9 HD2 TYR 9 -3.540 -0.283 -4.092 50 HE1 TYR 9 HE1 TYR 9 -4.365 4.197 -5.991 51 HE2 TYR 9 HE2 TYR 9 -5.047 -0.020 -6.025 52 HH TYR 9 HH TYR 9 -5.730 3.162 -7.482 53 H ASN 10 H ASN 10 -2.336 -0.483 -0.504 54 HA ASN 10 HA ASN 10 -5.195 -1.311 -0.703 55 HB2 ASN 10 1HB ASN 10 -3.462 -2.153 -2.490 56 HB3 ASN 10 2HB ASN 10 -2.948 -3.265 -1.218 57 HD21 ASN 10 1HD2 ASN 10 -6.597 -4.458 -1.227 58 HD22 ASN 10 2HD2 ASN 10 -5.731 -3.441 -0.089 59 H LYS 11 H LYS 11 -2.115 -2.621 0.639 60 HA LYS 11 HA LYS 11 -3.159 -2.286 3.332 61 HB2 LYS 11 1HB LYS 11 -2.854 -4.677 3.978 62 HB3 LYS 11 2HB LYS 11 -4.247 -4.329 2.967 63 HG2 LYS 11 1HG LYS 11 -2.070 -5.034 1.234 64 HG3 LYS 11 2HG LYS 11 -2.171 -6.236 2.535 65 HD2 LYS 11 1HD LYS 11 -4.568 -6.525 2.103 66 HD3 LYS 11 2HD LYS 11 -4.509 -5.301 0.829 67 HE2 LYS 11 1HE LYS 11 -2.769 -7.773 0.740 68 HE3 LYS 11 2HE LYS 11 -4.430 -7.785 0.129 69 HZ1 LYS 11 1HZ LYS 11 -2.421 -5.782 -0.767 70 HZ2 LYS 11 2HZ LYS 11 -2.700 -7.186 -1.580 71 HZ3 LYS 11 3HZ LYS 11 -3.890 -6.074 -1.432 72 H GLN 12 H GLN 12 -0.743 -1.923 1.351 73 HA GLN 12 HA GLN 12 1.471 -3.189 2.752 74 HB2 GLN 12 1HB GLN 12 1.165 -1.270 0.447 75 HB3 GLN 12 2HB GLN 12 2.756 -1.556 1.163 76 HG2 GLN 12 1HG GLN 12 2.467 -2.973 -0.752 77 HG3 GLN 12 2HG GLN 12 2.565 -3.951 0.716 78 HE21 GLN 12 1HE2 GLN 12 -0.265 -5.731 -0.229 79 HE22 GLN 12 2HE2 GLN 12 1.383 -5.720 0.369 80 H CYS 13 H CYS 13 3.441 -1.527 3.199 81 HA CYS 13 HA CYS 13 2.499 0.013 5.469 82 HB2 CYS 13 1HB CYS 13 4.922 0.525 5.760 83 HB3 CYS 13 2HB CYS 13 4.548 -1.196 5.669 84 H LEU 14 H LEU 14 1.739 2.011 5.447 85 HA LEU 14 HA LEU 14 2.362 3.868 3.302 86 HB2 LEU 14 1HB LEU 14 0.221 3.795 4.582 87 HB3 LEU 14 2HB LEU 14 1.085 4.327 6.016 88 HG LEU 14 HG LEU 14 1.588 6.481 4.933 89 HD11 LEU 14 1HD1 LEU 14 0.406 7.116 2.861 90 HD12 LEU 14 2HD1 LEU 14 1.577 5.818 2.564 91 HD13 LEU 14 3HD1 LEU 14 -0.164 5.444 2.667 92 HD21 LEU 14 1HD2 LEU 14 -0.420 6.145 6.328 93 HD22 LEU 14 2HD2 LEU 14 -0.718 7.328 5.038 94 HD23 LEU 14 3HD2 LEU 14 -1.346 5.672 4.883 95 H ILE 15 H ILE 15 3.463 3.408 6.650 96 HA ILE 15 HA ILE 15 5.404 5.644 6.222 97 HB ILE 15 HB ILE 15 4.055 4.836 8.829 98 HG12 ILE 15 1HG1 ILE 15 3.767 7.443 7.307 99 HG13 ILE 15 2HG1 ILE 15 2.649 6.095 7.101 100 HG21 ILE 15 1HG2 ILE 15 6.362 5.622 9.175 101 HG22 ILE 15 2HG2 ILE 15 6.024 7.079 8.214 102 HG23 ILE 15 3HG2 ILE 15 5.204 6.819 9.770 103 HD11 ILE 15 1HD1 ILE 15 1.673 7.641 8.628 104 HD12 ILE 15 2HD1 ILE 15 2.130 6.181 9.532 105 HD13 ILE 15 3HD1 ILE 15 3.127 7.651 9.648 106 H PHE 16 H PHE 16 4.877 2.602 8.108 107 HA PHE 16 HA PHE 16 7.740 2.673 8.780 108 HB2 PHE 16 1HB PHE 16 5.442 0.983 9.772 109 HB3 PHE 16 2HB PHE 16 7.124 0.695 10.227 110 HD1 PHE 16 HD1 PHE 16 8.288 2.120 11.759 111 HD2 PHE 16 HD2 PHE 16 4.325 3.086 10.491 112 HE1 PHE 16 HE1 PHE 16 8.168 3.875 13.486 113 HE2 PHE 16 HE2 PHE 16 4.211 4.869 12.188 114 HZ PHE 16 HZ PHE 16 6.133 5.267 13.698 115 H CYS 17 H CYS 17 8.101 2.326 6.362 116 HA CYS 17 HA CYS 17 7.986 -0.525 5.599 117 HB2 CYS 17 1HB CYS 17 9.075 1.898 4.086 118 HB3 CYS 17 2HB CYS 17 8.931 0.256 3.432 119 HC CYS 17 HC CYS 17 10.247 -0.441 6.892 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.108 2.640 0.961 2 HA2 GLY 1 1HA GLY 1 4.767 2.629 -1.454 3 HA3 GLY 1 2HA GLY 1 5.268 2.215 0.196 4 H GLY 2 H GLY 2 6.427 0.504 -1.185 5 HA2 GLY 2 1HA GLY 2 4.586 -1.805 -1.628 6 HA3 GLY 2 2HA GLY 2 6.097 -1.539 -2.490 7 H GLY 3 H GLY 3 6.448 -0.793 0.820 8 HA2 GLY 3 1HA GLY 3 7.833 -3.416 1.164 9 HA3 GLY 3 2HA GLY 3 8.407 -1.882 1.812 10 H GLY 4 H GLY 4 6.345 -4.623 2.294 11 HA2 GLY 4 1HA GLY 4 5.852 -5.394 4.493 12 HA3 GLY 4 2HA GLY 4 5.947 -3.737 5.094 13 H ARG 5 H ARG 5 3.897 -4.315 6.192 14 HA ARG 5 HA ARG 5 1.576 -3.848 4.394 15 HB2 ARG 5 1HB ARG 5 1.809 -6.005 6.523 16 HB3 ARG 5 2HB ARG 5 0.291 -5.512 5.780 17 HG2 ARG 5 1HG ARG 5 0.607 -7.045 4.211 18 HG3 ARG 5 2HG ARG 5 1.965 -6.088 3.605 19 HD2 ARG 5 1HD ARG 5 2.784 -8.294 3.963 20 HD3 ARG 5 2HD ARG 5 3.444 -7.288 5.263 21 HE ARG 5 HE ARG 5 1.005 -8.450 6.146 22 HH11 ARG 5 1HH1 ARG 5 4.319 -9.445 5.417 23 HH12 ARG 5 2HH1 ARG 5 4.234 -10.803 6.526 24 HH21 ARG 5 1HH2 ARG 5 0.989 -10.160 7.539 25 HH22 ARG 5 2HH2 ARG 5 2.394 -11.201 7.697 26 H GLY 6 H GLY 6 0.078 -2.456 5.151 27 HA2 GLY 6 1HA GLY 6 -0.740 -2.185 7.781 28 HA3 GLY 6 2HA GLY 6 0.607 -1.066 7.624 29 H TYR 7 H TYR 7 -0.041 -0.204 4.874 30 HA TYR 7 HA TYR 7 -2.702 0.826 4.848 31 HB2 TYR 7 1HB TYR 7 -1.221 2.101 6.712 32 HB3 TYR 7 2HB TYR 7 -0.879 3.134 5.343 33 HD1 TYR 7 HD1 TYR 7 -3.402 1.958 7.716 34 HD2 TYR 7 HD2 TYR 7 -2.811 4.325 4.200 35 HE1 TYR 7 HE1 TYR 7 -5.622 2.982 8.026 36 HE2 TYR 7 HE2 TYR 7 -5.027 5.346 4.519 37 HH TYR 7 HH TYR 7 -6.927 5.411 5.764 38 H GLU 8 H GLU 8 -1.159 3.418 3.727 39 HA GLU 8 HA GLU 8 -0.748 4.278 1.697 40 HB2 GLU 8 1HB GLU 8 1.344 2.849 1.915 41 HB3 GLU 8 2HB GLU 8 0.556 1.636 0.911 42 HG2 GLU 8 1HG GLU 8 0.160 3.494 -0.833 43 HG3 GLU 8 2HG GLU 8 1.180 4.539 0.147 44 H TYR 9 H TYR 9 -1.278 0.972 0.600 45 HA TYR 9 HA TYR 9 -2.968 2.149 -1.554 46 HB2 TYR 9 1HB TYR 9 -0.811 0.824 -1.962 47 HB3 TYR 9 2HB TYR 9 -1.690 -0.604 -1.425 48 HD1 TYR 9 HD1 TYR 9 -3.443 -1.597 -2.845 49 HD2 TYR 9 HD2 TYR 9 -1.335 1.909 -4.098 50 HE1 TYR 9 HE1 TYR 9 -4.174 -1.982 -5.170 51 HE2 TYR 9 HE2 TYR 9 -2.060 1.512 -6.422 52 HH TYR 9 HH TYR 9 -4.077 -1.279 -7.334 53 H ASN 10 H ASN 10 -2.797 -0.638 0.630 54 HA ASN 10 HA ASN 10 -5.492 -0.625 1.436 55 HB2 ASN 10 1HB ASN 10 -5.733 -1.400 -1.054 56 HB3 ASN 10 2HB ASN 10 -5.010 -2.913 -0.502 57 HD21 ASN 10 1HD2 ASN 10 -7.929 -3.385 1.808 58 HD22 ASN 10 2HD2 ASN 10 -6.227 -3.072 2.088 59 H LYS 11 H LYS 11 -2.797 -2.759 0.470 60 HA LYS 11 HA LYS 11 -2.973 -4.086 3.145 61 HB2 LYS 11 1HB LYS 11 -2.244 -5.308 0.469 62 HB3 LYS 11 2HB LYS 11 -2.182 -6.135 2.032 63 HG2 LYS 11 1HG LYS 11 -4.628 -5.745 2.301 64 HG3 LYS 11 2HG LYS 11 -4.665 -5.031 0.676 65 HD2 LYS 11 1HD LYS 11 -3.733 -7.162 -0.226 66 HD3 LYS 11 2HD LYS 11 -3.880 -7.876 1.389 67 HE2 LYS 11 1HE LYS 11 -6.172 -6.732 -0.253 68 HE3 LYS 11 2HE LYS 11 -5.780 -8.449 -0.114 69 HZ1 LYS 11 1HZ LYS 11 -6.525 -6.686 2.166 70 HZ2 LYS 11 2HZ LYS 11 -7.509 -7.804 1.480 71 HZ3 LYS 11 3HZ LYS 11 -6.166 -8.283 2.291 72 H GLN 12 H GLN 12 -0.912 -2.507 0.866 73 HA GLN 12 HA GLN 12 1.608 -3.575 1.860 74 HB2 GLN 12 1HB GLN 12 0.831 -1.204 0.122 75 HB3 GLN 12 2HB GLN 12 2.502 -1.605 0.530 76 HG2 GLN 12 1HG GLN 12 2.060 -2.448 -1.633 77 HG3 GLN 12 2HG GLN 12 2.238 -3.814 -0.528 78 HE21 GLN 12 1HE2 GLN 12 -0.632 -5.187 -1.977 79 HE22 GLN 12 2HE2 GLN 12 1.082 -5.332 -1.642 80 H CYS 13 H CYS 13 3.277 -1.564 2.428 81 HA CYS 13 HA CYS 13 2.022 -0.261 4.807 82 HB2 CYS 13 1HB CYS 13 4.433 -1.720 4.484 83 HB3 CYS 13 2HB CYS 13 4.897 -0.040 4.737 84 H LEU 14 H LEU 14 2.730 1.887 5.429 85 HA LEU 14 HA LEU 14 3.028 3.552 2.999 86 HB2 LEU 14 1HB LEU 14 1.046 3.841 4.384 87 HB3 LEU 14 2HB LEU 14 2.039 4.220 5.780 88 HG LEU 14 HG LEU 14 2.731 6.319 4.788 89 HD11 LEU 14 1HD1 LEU 14 0.989 5.538 2.421 90 HD12 LEU 14 2HD1 LEU 14 1.689 7.147 2.700 91 HD13 LEU 14 3HD1 LEU 14 2.758 5.763 2.408 92 HD21 LEU 14 1HD2 LEU 14 0.550 7.431 4.852 93 HD22 LEU 14 2HD2 LEU 14 -0.271 5.873 4.610 94 HD23 LEU 14 3HD2 LEU 14 0.651 6.175 6.103 95 H ILE 15 H ILE 15 4.071 4.164 6.403 96 HA ILE 15 HA ILE 15 6.740 4.925 5.327 97 HB ILE 15 HB ILE 15 4.840 6.646 6.950 98 HG12 ILE 15 1HG1 ILE 15 4.776 6.858 4.484 99 HG13 ILE 15 2HG1 ILE 15 5.258 8.335 5.306 100 HG21 ILE 15 1HG2 ILE 15 6.837 6.784 8.213 101 HG22 ILE 15 2HG2 ILE 15 7.852 6.917 6.758 102 HG23 ILE 15 3HG2 ILE 15 6.770 8.250 7.222 103 HD11 ILE 15 1HD1 ILE 15 6.532 7.956 3.246 104 HD12 ILE 15 2HD1 ILE 15 7.593 7.976 4.669 105 HD13 ILE 15 3HD1 ILE 15 7.162 6.431 3.901 106 H PHE 16 H PHE 16 8.325 4.138 6.507 107 HA PHE 16 HA PHE 16 9.456 3.038 8.169 108 HB2 PHE 16 1HB PHE 16 7.670 4.602 10.052 109 HB3 PHE 16 2HB PHE 16 9.231 3.871 10.425 110 HD1 PHE 16 HD1 PHE 16 8.273 6.792 10.732 111 HD2 PHE 16 HD2 PHE 16 10.643 4.801 7.777 112 HE1 PHE 16 HE1 PHE 16 9.325 8.934 10.130 113 HE2 PHE 16 HE2 PHE 16 11.613 6.953 7.105 114 HZ PHE 16 HZ PHE 16 10.985 9.027 8.298 115 H CYS 17 H CYS 17 7.789 1.321 7.112 116 HA CYS 17 HA CYS 17 5.609 0.303 8.428 117 HB2 CYS 17 1HB CYS 17 6.891 -0.617 6.306 118 HB3 CYS 17 2HB CYS 17 7.686 -1.680 7.490 119 HC CYS 17 HC CYS 17 6.498 -0.240 10.652 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.413 0.530 -1.926 2 HA2 GLY 1 1HA GLY 1 3.987 1.952 -0.080 3 HA3 GLY 1 2HA GLY 1 3.325 0.537 0.762 4 H GLY 2 H GLY 2 5.846 0.188 0.752 5 HA2 GLY 2 1HA GLY 2 6.572 -1.204 -1.786 6 HA3 GLY 2 2HA GLY 2 7.655 -0.092 -0.973 7 H GLY 3 H GLY 3 5.721 -2.723 0.583 8 HA2 GLY 3 1HA GLY 3 7.364 -4.824 0.465 9 HA3 GLY 3 2HA GLY 3 8.291 -3.801 1.554 10 H GLY 4 H GLY 4 6.806 -2.884 3.446 11 HA2 GLY 4 1HA GLY 4 5.818 -5.312 4.781 12 HA3 GLY 4 2HA GLY 4 6.061 -3.714 5.512 13 H ARG 5 H ARG 5 3.890 -4.302 6.488 14 HA ARG 5 HA ARG 5 1.717 -3.442 4.632 15 HB2 ARG 5 1HB ARG 5 1.622 -5.866 5.232 16 HB3 ARG 5 2HB ARG 5 1.510 -5.417 6.934 17 HG2 ARG 5 1HG ARG 5 -0.494 -4.165 5.133 18 HG3 ARG 5 2HG ARG 5 -0.624 -5.918 5.326 19 HD2 ARG 5 1HD ARG 5 -0.285 -4.194 7.764 20 HD3 ARG 5 2HD ARG 5 -1.865 -4.255 6.974 21 HE ARG 5 HE ARG 5 -0.533 -6.390 8.473 22 HH11 ARG 5 1HH1 ARG 5 -3.176 -5.646 6.235 23 HH12 ARG 5 2HH1 ARG 5 -4.056 -7.096 6.687 24 HH21 ARG 5 1HH2 ARG 5 -1.703 -8.187 8.967 25 HH22 ARG 5 2HH2 ARG 5 -3.238 -8.508 8.179 26 H GLY 6 H GLY 6 0.379 -1.852 5.337 27 HA2 GLY 6 1HA GLY 6 -0.476 -1.159 7.807 28 HA3 GLY 6 2HA GLY 6 1.144 -0.448 7.792 29 H TYR 7 H TYR 7 -2.067 -0.393 6.424 30 HA TYR 7 HA TYR 7 -3.286 1.216 5.429 31 HB2 TYR 7 1HB TYR 7 -1.635 2.610 7.067 32 HB3 TYR 7 2HB TYR 7 -1.272 3.390 5.545 33 HD1 TYR 7 HD1 TYR 7 -3.507 3.219 8.307 34 HD2 TYR 7 HD2 TYR 7 -3.403 4.169 4.133 35 HE1 TYR 7 HE1 TYR 7 -5.545 4.580 8.561 36 HE2 TYR 7 HE2 TYR 7 -5.436 5.530 4.399 37 HH TYR 7 HH TYR 7 -7.067 5.921 7.548 38 H GLU 8 H GLU 8 -1.207 3.323 3.929 39 HA GLU 8 HA GLU 8 -0.738 3.718 1.751 40 HB2 GLU 8 1HB GLU 8 0.618 1.417 2.378 41 HB3 GLU 8 2HB GLU 8 -0.334 0.844 1.015 42 HG2 GLU 8 1HG GLU 8 0.746 3.432 0.296 43 HG3 GLU 8 2HG GLU 8 2.050 2.521 1.037 44 H TYR 9 H TYR 9 -1.171 2.263 -0.621 45 HA TYR 9 HA TYR 9 -3.861 3.084 -1.141 46 HB2 TYR 9 1HB TYR 9 -1.972 2.869 -2.804 47 HB3 TYR 9 2HB TYR 9 -2.124 1.118 -2.689 48 HD1 TYR 9 HD1 TYR 9 -3.891 -0.070 -3.822 49 HD2 TYR 9 HD2 TYR 9 -3.818 4.207 -3.863 50 HE1 TYR 9 HE1 TYR 9 -5.521 -0.058 -5.671 51 HE2 TYR 9 HE2 TYR 9 -5.451 4.213 -5.714 52 HH TYR 9 HH TYR 9 -6.713 1.196 -7.139 53 H ASN 10 H ASN 10 -2.393 -0.136 -0.687 54 HA ASN 10 HA ASN 10 -4.644 -1.009 0.859 55 HB2 ASN 10 1HB ASN 10 -5.069 -1.290 -1.866 56 HB3 ASN 10 2HB ASN 10 -4.396 -2.867 -1.428 57 HD21 ASN 10 1HD2 ASN 10 -8.239 -2.142 -0.773 58 HD22 ASN 10 2HD2 ASN 10 -7.197 -1.194 -1.817 59 H LYS 11 H LYS 11 -3.788 -2.382 2.319 60 HA LYS 11 HA LYS 11 -2.668 -4.134 3.233 61 HB2 LYS 11 1HB LYS 11 -2.291 -4.986 0.359 62 HB3 LYS 11 2HB LYS 11 -2.027 -6.001 1.777 63 HG2 LYS 11 1HG LYS 11 -4.407 -5.758 2.400 64 HG3 LYS 11 2HG LYS 11 -4.664 -4.757 0.955 65 HD2 LYS 11 1HD LYS 11 -3.918 -6.640 -0.465 66 HD3 LYS 11 2HD LYS 11 -3.732 -7.644 0.985 67 HE2 LYS 11 1HE LYS 11 -5.853 -8.181 -0.009 68 HE3 LYS 11 2HE LYS 11 -6.159 -7.286 1.486 69 HZ1 LYS 11 1HZ LYS 11 -6.442 -5.263 0.126 70 HZ2 LYS 11 2HZ LYS 11 -6.189 -6.114 -1.252 71 HZ3 LYS 11 3HZ LYS 11 -7.518 -6.413 -0.335 72 H GLN 12 H GLN 12 -0.906 -1.796 1.829 73 HA GLN 12 HA GLN 12 1.656 -3.213 2.434 74 HB2 GLN 12 1HB GLN 12 0.944 -1.352 0.179 75 HB3 GLN 12 2HB GLN 12 2.598 -1.434 0.791 76 HG2 GLN 12 1HG GLN 12 2.704 -2.927 -0.916 77 HG3 GLN 12 2HG GLN 12 2.404 -3.988 0.463 78 HE21 GLN 12 1HE2 GLN 12 -0.475 -3.469 -2.438 79 HE22 GLN 12 2HE2 GLN 12 0.868 -2.349 -2.308 80 H CYS 13 H CYS 13 3.481 -1.489 2.776 81 HA CYS 13 HA CYS 13 2.664 -0.025 5.146 82 HB2 CYS 13 1HB CYS 13 5.098 0.395 5.334 83 HB3 CYS 13 2HB CYS 13 4.719 -1.315 5.105 84 H LEU 14 H LEU 14 2.186 2.069 5.372 85 HA LEU 14 HA LEU 14 2.861 3.923 3.169 86 HB2 LEU 14 1HB LEU 14 0.583 3.848 4.122 87 HB3 LEU 14 2HB LEU 14 1.224 4.313 5.692 88 HG LEU 14 HG LEU 14 1.907 6.500 4.765 89 HD11 LEU 14 1HD1 LEU 14 0.972 7.210 2.577 90 HD12 LEU 14 2HD1 LEU 14 2.202 5.946 2.404 91 HD13 LEU 14 3HD1 LEU 14 0.475 5.533 2.258 92 HD21 LEU 14 1HD2 LEU 14 -0.374 7.389 4.619 93 HD22 LEU 14 2HD2 LEU 14 -1.010 5.756 4.320 94 HD23 LEU 14 3HD2 LEU 14 -0.263 6.152 5.887 95 H ILE 15 H ILE 15 3.320 3.735 6.725 96 HA ILE 15 HA ILE 15 5.380 5.888 6.442 97 HB ILE 15 HB ILE 15 3.866 5.043 8.950 98 HG12 ILE 15 1HG1 ILE 15 3.532 7.632 7.409 99 HG13 ILE 15 2HG1 ILE 15 2.482 6.234 7.170 100 HG21 ILE 15 1HG2 ILE 15 6.134 5.938 9.380 101 HG22 ILE 15 2HG2 ILE 15 5.741 7.391 8.437 102 HG23 ILE 15 3HG2 ILE 15 4.888 7.051 9.959 103 HD11 ILE 15 1HD1 ILE 15 1.394 7.741 8.675 104 HD12 ILE 15 2HD1 ILE 15 1.887 6.294 9.585 105 HD13 ILE 15 3HD1 ILE 15 2.820 7.801 9.737 106 H PHE 16 H PHE 16 4.582 2.850 8.166 107 HA PHE 16 HA PHE 16 7.370 2.747 9.155 108 HB2 PHE 16 1HB PHE 16 5.033 0.950 9.875 109 HB3 PHE 16 2HB PHE 16 6.548 1.152 10.760 110 HD1 PHE 16 HD1 PHE 16 3.166 2.016 10.681 111 HD2 PHE 16 HD2 PHE 16 6.999 3.736 11.474 112 HE1 PHE 16 HE1 PHE 16 2.085 3.838 11.936 113 HE2 PHE 16 HE2 PHE 16 5.918 5.582 12.695 114 HZ PHE 16 HZ PHE 16 3.458 5.637 12.936 115 H CYS 17 H CYS 17 8.703 1.892 7.635 116 HA CYS 17 HA CYS 17 8.096 -0.796 6.603 117 HB2 CYS 17 1HB CYS 17 7.197 1.236 5.081 118 HB3 CYS 17 2HB CYS 17 8.874 1.224 4.510 119 HC CYS 17 HC CYS 17 10.515 -0.990 6.163 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.389 -0.030 -1.912 2 HA2 GLY 1 1HA GLY 1 3.757 2.220 -0.878 3 HA3 GLY 1 2HA GLY 1 3.641 1.003 0.401 4 H GLY 2 H GLY 2 4.032 -1.382 -0.828 5 HA2 GLY 2 1HA GLY 2 5.655 -2.030 -2.726 6 HA3 GLY 2 2HA GLY 2 6.809 -1.041 -1.839 7 H GLY 3 H GLY 3 7.011 -1.727 0.605 8 HA2 GLY 3 1HA GLY 3 7.718 -4.594 0.305 9 HA3 GLY 3 2HA GLY 3 8.555 -3.427 1.315 10 H GLY 4 H GLY 4 7.245 -2.595 3.253 11 HA2 GLY 4 1HA GLY 4 6.282 -5.008 4.611 12 HA3 GLY 4 2HA GLY 4 6.561 -3.427 5.347 13 H ARG 5 H ARG 5 4.516 -3.892 6.463 14 HA ARG 5 HA ARG 5 2.180 -3.186 4.749 15 HB2 ARG 5 1HB ARG 5 0.784 -4.674 6.035 16 HB3 ARG 5 2HB ARG 5 2.158 -5.564 5.375 17 HG2 ARG 5 1HG ARG 5 3.278 -5.250 7.659 18 HG3 ARG 5 2HG ARG 5 1.684 -4.729 8.242 19 HD2 ARG 5 1HD ARG 5 0.725 -6.879 7.454 20 HD3 ARG 5 2HD ARG 5 2.335 -7.377 6.900 21 HE ARG 5 HE ARG 5 2.432 -6.642 9.663 22 HH11 ARG 5 1HH1 ARG 5 1.333 -9.286 7.585 23 HH12 ARG 5 2HH1 ARG 5 1.473 -10.462 8.881 24 HH21 ARG 5 1HH2 ARG 5 2.613 -8.188 11.225 25 HH22 ARG 5 2HH2 ARG 5 2.217 -9.863 10.881 26 H GLY 6 H GLY 6 0.523 -1.963 5.690 27 HA2 GLY 6 1HA GLY 6 -0.031 -0.918 8.032 28 HA3 GLY 6 2HA GLY 6 1.562 -0.178 7.816 29 H TYR 7 H TYR 7 -1.712 -0.415 6.538 30 HA TYR 7 HA TYR 7 -3.040 1.058 5.469 31 HB2 TYR 7 1HB TYR 7 -1.603 2.606 7.093 32 HB3 TYR 7 2HB TYR 7 -1.123 3.339 5.579 33 HD1 TYR 7 HD1 TYR 7 -3.682 3.051 8.088 34 HD2 TYR 7 HD2 TYR 7 -3.059 4.137 3.996 35 HE1 TYR 7 HE1 TYR 7 -5.770 4.359 8.112 36 HE2 TYR 7 HE2 TYR 7 -5.124 5.474 4.039 37 HH TYR 7 HH TYR 7 -7.162 5.729 6.958 38 H GLU 8 H GLU 8 -0.882 3.189 3.974 39 HA GLU 8 HA GLU 8 -0.517 3.618 1.780 40 HB2 GLU 8 1HB GLU 8 0.948 1.469 2.234 41 HB3 GLU 8 2HB GLU 8 -0.212 0.671 1.184 42 HG2 GLU 8 1HG GLU 8 0.451 3.042 -0.213 43 HG3 GLU 8 2HG GLU 8 1.970 2.574 0.536 44 H TYR 9 H TYR 9 -1.190 1.688 -0.446 45 HA TYR 9 HA TYR 9 -3.812 2.898 -0.866 46 HB2 TYR 9 1HB TYR 9 -1.781 2.543 -2.496 47 HB3 TYR 9 2HB TYR 9 -2.486 0.946 -2.745 48 HD1 TYR 9 HD1 TYR 9 -2.962 4.584 -3.191 49 HD2 TYR 9 HD2 TYR 9 -4.630 0.719 -3.951 50 HE1 TYR 9 HE1 TYR 9 -4.493 5.569 -4.854 51 HE2 TYR 9 HE2 TYR 9 -6.155 1.710 -5.618 52 HH TYR 9 HH TYR 9 -6.142 5.203 -6.359 53 H ASN 10 H ASN 10 -2.512 -0.345 -0.355 54 HA ASN 10 HA ASN 10 -5.315 -1.374 -0.281 55 HB2 ASN 10 1HB ASN 10 -3.943 -2.029 -2.308 56 HB3 ASN 10 2HB ASN 10 -2.895 -2.963 -1.239 57 HD21 ASN 10 1HD2 ASN 10 -5.538 -5.367 -0.499 58 HD22 ASN 10 2HD2 ASN 10 -4.344 -4.414 0.363 59 H LYS 11 H LYS 11 -2.234 -2.989 0.529 60 HA LYS 11 HA LYS 11 -2.751 -2.705 3.412 61 HB2 LYS 11 1HB LYS 11 -2.665 -5.402 2.004 62 HB3 LYS 11 2HB LYS 11 -2.451 -5.196 3.739 63 HG2 LYS 11 1HG LYS 11 -4.967 -4.421 2.244 64 HG3 LYS 11 2HG LYS 11 -4.711 -5.966 3.067 65 HD2 LYS 11 1HD LYS 11 -4.341 -4.734 5.203 66 HD3 LYS 11 2HD LYS 11 -4.735 -3.218 4.362 67 HE2 LYS 11 1HE LYS 11 -6.957 -4.117 3.786 68 HE3 LYS 11 2HE LYS 11 -6.569 -5.628 4.627 69 HZ1 LYS 11 1HZ LYS 11 -7.777 -4.117 6.101 70 HZ2 LYS 11 2HZ LYS 11 -6.251 -4.300 6.678 71 HZ3 LYS 11 3HZ LYS 11 -6.674 -2.927 5.877 72 H GLN 12 H GLN 12 -0.806 -1.399 2.398 73 HA GLN 12 HA GLN 12 1.661 -3.067 2.667 74 HB2 GLN 12 1HB GLN 12 0.903 -1.191 0.422 75 HB3 GLN 12 2HB GLN 12 2.580 -1.648 0.753 76 HG2 GLN 12 1HG GLN 12 2.098 -3.978 0.365 77 HG3 GLN 12 2HG GLN 12 0.372 -3.631 0.187 78 HE21 GLN 12 1HE2 GLN 12 1.086 -3.757 -3.277 79 HE22 GLN 12 2HE2 GLN 12 0.491 -4.673 -1.905 80 H CYS 13 H CYS 13 3.609 -1.385 2.539 81 HA CYS 13 HA CYS 13 3.355 0.155 4.954 82 HB2 CYS 13 1HB CYS 13 5.441 -0.956 4.274 83 HB3 CYS 13 2HB CYS 13 5.525 0.069 2.827 84 H LEU 14 H LEU 14 2.469 2.146 5.196 85 HA LEU 14 HA LEU 14 2.816 4.103 3.022 86 HB2 LEU 14 1HB LEU 14 0.715 3.910 4.364 87 HB3 LEU 14 2HB LEU 14 1.603 4.461 5.775 88 HG LEU 14 HG LEU 14 2.013 6.634 4.660 89 HD11 LEU 14 1HD1 LEU 14 0.181 5.545 2.488 90 HD12 LEU 14 2HD1 LEU 14 0.716 7.231 2.653 91 HD13 LEU 14 3HD1 LEU 14 1.904 5.964 2.299 92 HD21 LEU 14 1HD2 LEU 14 -0.901 5.765 4.750 93 HD22 LEU 14 2HD2 LEU 14 0.083 6.244 6.155 94 HD23 LEU 14 3HD2 LEU 14 -0.291 7.429 4.888 95 H ILE 15 H ILE 15 3.895 3.753 6.446 96 HA ILE 15 HA ILE 15 6.191 5.486 5.717 97 HB ILE 15 HB ILE 15 4.592 5.884 8.275 98 HG12 ILE 15 1HG1 ILE 15 4.905 7.808 5.949 99 HG13 ILE 15 2HG1 ILE 15 3.502 6.759 6.166 100 HG21 ILE 15 1HG2 ILE 15 6.998 7.380 7.145 101 HG22 ILE 15 2HG2 ILE 15 6.136 7.774 8.651 102 HG23 ILE 15 3HG2 ILE 15 7.034 6.255 8.520 103 HD11 ILE 15 1HD1 ILE 15 4.377 8.988 8.009 104 HD12 ILE 15 2HD1 ILE 15 2.928 8.915 6.982 105 HD13 ILE 15 3HD1 ILE 15 3.080 7.825 8.378 106 H PHE 16 H PHE 16 4.847 3.570 8.479 107 HA PHE 16 HA PHE 16 7.656 2.919 9.190 108 HB2 PHE 16 1HB PHE 16 5.083 2.713 10.779 109 HB3 PHE 16 2HB PHE 16 6.652 2.128 11.338 110 HD1 PHE 16 HD1 PHE 16 8.409 3.649 12.022 111 HD2 PHE 16 HD2 PHE 16 4.676 5.126 10.564 112 HE1 PHE 16 HE1 PHE 16 8.982 5.900 12.850 113 HE2 PHE 16 HE2 PHE 16 5.250 7.385 11.366 114 HZ PHE 16 HZ PHE 16 7.401 7.777 12.529 115 H CYS 17 H CYS 17 7.937 1.360 7.497 116 HA CYS 17 HA CYS 17 6.009 -0.586 6.866 117 HB2 CYS 17 1HB CYS 17 9.020 -0.924 6.465 118 HB3 CYS 17 2HB CYS 17 7.714 -1.663 5.526 119 HC CYS 17 HC CYS 17 7.048 -1.581 9.311 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.862 0.910 -2.281 2 HA2 GLY 1 1HA GLY 1 3.834 2.136 -0.610 3 HA3 GLY 1 2HA GLY 1 3.068 0.779 0.236 4 H GLY 2 H GLY 2 5.231 -0.272 0.138 5 HA2 GLY 2 1HA GLY 2 5.382 -2.004 -2.153 6 HA3 GLY 2 2HA GLY 2 6.611 -0.750 -2.240 7 H GLY 3 H GLY 3 5.438 -3.522 -0.368 8 HA2 GLY 3 1HA GLY 3 7.306 -5.167 -0.082 9 HA3 GLY 3 2HA GLY 3 8.238 -3.853 0.637 10 H GLY 4 H GLY 4 7.324 -2.853 2.646 11 HA2 GLY 4 1HA GLY 4 6.547 -4.968 4.479 12 HA3 GLY 4 2HA GLY 4 6.750 -3.249 4.866 13 H ARG 5 H ARG 5 4.740 -4.048 6.183 14 HA ARG 5 HA ARG 5 2.280 -3.760 4.504 15 HB2 ARG 5 1HB ARG 5 2.962 -5.442 6.895 16 HB3 ARG 5 2HB ARG 5 1.313 -4.849 6.731 17 HG2 ARG 5 1HG ARG 5 1.333 -7.007 5.792 18 HG3 ARG 5 2HG ARG 5 1.214 -5.872 4.444 19 HD2 ARG 5 1HD ARG 5 3.558 -6.177 3.905 20 HD3 ARG 5 2HD ARG 5 3.798 -7.184 5.350 21 HE ARG 5 HE ARG 5 1.727 -8.358 3.854 22 HH11 ARG 5 1HH1 ARG 5 5.176 -7.714 3.342 23 HH12 ARG 5 2HH1 ARG 5 5.381 -9.188 2.414 24 HH21 ARG 5 1HH2 ARG 5 2.053 -10.109 2.564 25 HH22 ARG 5 2HH2 ARG 5 3.641 -10.453 1.899 26 H GLY 6 H GLY 6 0.422 -2.754 5.553 27 HA2 GLY 6 1HA GLY 6 0.358 -1.316 7.880 28 HA3 GLY 6 2HA GLY 6 1.263 -0.259 6.801 29 H TYR 7 H TYR 7 0.204 0.970 5.326 30 HA TYR 7 HA TYR 7 -2.784 0.866 5.445 31 HB2 TYR 7 1HB TYR 7 -1.649 2.493 7.033 32 HB3 TYR 7 2HB TYR 7 -1.092 3.368 5.603 33 HD1 TYR 7 HD1 TYR 7 -3.923 2.674 7.796 34 HD2 TYR 7 HD2 TYR 7 -2.800 4.351 4.032 35 HE1 TYR 7 HE1 TYR 7 -6.107 3.807 7.653 36 HE2 TYR 7 HE2 TYR 7 -4.975 5.530 3.911 37 HH TYR 7 HH TYR 7 -7.450 5.189 6.460 38 H GLU 8 H GLU 8 0.103 1.917 3.689 39 HA GLU 8 HA GLU 8 -0.879 3.552 1.717 40 HB2 GLU 8 1HB GLU 8 1.527 2.852 2.218 41 HB3 GLU 8 2HB GLU 8 1.241 1.393 1.289 42 HG2 GLU 8 1HG GLU 8 0.649 4.100 0.041 43 HG3 GLU 8 2HG GLU 8 2.319 3.566 0.161 44 H TYR 9 H TYR 9 -2.660 3.335 0.722 45 HA TYR 9 HA TYR 9 -4.206 2.694 -0.786 46 HB2 TYR 9 1HB TYR 9 -2.325 2.566 -2.333 47 HB3 TYR 9 2HB TYR 9 -2.048 0.881 -1.897 48 HD1 TYR 9 HD1 TYR 9 -4.563 3.190 -3.424 49 HD2 TYR 9 HD2 TYR 9 -3.249 -0.857 -2.987 50 HE1 TYR 9 HE1 TYR 9 -6.196 2.472 -5.128 51 HE2 TYR 9 HE2 TYR 9 -4.887 -1.570 -4.688 52 HH TYR 9 HH TYR 9 -6.533 -0.939 -6.113 53 H ASN 10 H ASN 10 -2.532 -0.417 -0.202 54 HA ASN 10 HA ASN 10 -4.985 -1.427 1.095 55 HB2 ASN 10 1HB ASN 10 -5.178 -1.869 -1.384 56 HB3 ASN 10 2HB ASN 10 -3.763 -2.926 -1.251 57 HD21 ASN 10 1HD2 ASN 10 -5.515 -5.464 0.598 58 HD22 ASN 10 2HD2 ASN 10 -3.955 -4.663 0.490 59 H LYS 11 H LYS 11 -3.581 -1.250 2.884 60 HA LYS 11 HA LYS 11 -2.412 -2.234 4.565 61 HB2 LYS 11 1HB LYS 11 -2.550 -4.744 2.871 62 HB3 LYS 11 2HB LYS 11 -2.195 -4.671 4.592 63 HG2 LYS 11 1HG LYS 11 -4.840 -3.851 3.349 64 HG3 LYS 11 2HG LYS 11 -4.482 -5.433 4.052 65 HD2 LYS 11 1HD LYS 11 -3.988 -4.324 6.233 66 HD3 LYS 11 2HD LYS 11 -4.456 -2.772 5.517 67 HE2 LYS 11 1HE LYS 11 -6.339 -3.604 6.736 68 HE3 LYS 11 2HE LYS 11 -6.706 -3.732 5.011 69 HZ1 LYS 11 1HZ LYS 11 -5.755 -5.970 6.736 70 HZ2 LYS 11 2HZ LYS 11 -7.288 -5.788 6.179 71 HZ3 LYS 11 3HZ LYS 11 -6.067 -6.096 5.128 72 H GLN 12 H GLN 12 -0.844 -1.183 2.132 73 HA GLN 12 HA GLN 12 1.631 -2.795 2.494 74 HB2 GLN 12 1HB GLN 12 0.885 -0.617 0.528 75 HB3 GLN 12 2HB GLN 12 2.486 -1.358 0.626 76 HG2 GLN 12 1HG GLN 12 1.822 -3.302 -0.325 77 HG3 GLN 12 2HG GLN 12 0.196 -3.224 0.367 78 HE21 GLN 12 1HE2 GLN 12 -1.234 -2.032 -2.571 79 HE22 GLN 12 2HE2 GLN 12 -1.409 -2.842 -1.023 80 H CYS 13 H CYS 13 3.698 -1.594 2.665 81 HA CYS 13 HA CYS 13 3.638 -0.002 5.031 82 HB2 CYS 13 1HB CYS 13 5.586 -1.341 4.361 83 HB3 CYS 13 2HB CYS 13 5.851 -0.275 2.968 84 H LEU 14 H LEU 14 3.325 2.044 5.428 85 HA LEU 14 HA LEU 14 3.604 4.046 3.222 86 HB2 LEU 14 1HB LEU 14 1.285 3.668 4.199 87 HB3 LEU 14 2HB LEU 14 1.918 4.216 5.740 88 HG LEU 14 HG LEU 14 2.361 6.447 4.768 89 HD11 LEU 14 1HD1 LEU 14 1.346 7.038 2.598 90 HD12 LEU 14 2HD1 LEU 14 2.657 5.861 2.403 91 HD13 LEU 14 3HD1 LEU 14 0.960 5.326 2.311 92 HD21 LEU 14 1HD2 LEU 14 0.003 7.107 4.647 93 HD22 LEU 14 2HD2 LEU 14 -0.475 5.414 4.388 94 HD23 LEU 14 3HD2 LEU 14 0.253 5.912 5.935 95 H ILE 15 H ILE 15 5.882 3.464 4.102 96 HA ILE 15 HA ILE 15 7.804 4.229 5.040 97 HB ILE 15 HB ILE 15 6.221 6.310 6.599 98 HG12 ILE 15 1HG1 ILE 15 7.815 6.763 4.059 99 HG13 ILE 15 2HG1 ILE 15 6.070 6.494 4.052 100 HG21 ILE 15 1HG2 ILE 15 8.412 7.393 6.873 101 HG22 ILE 15 2HG2 ILE 15 8.433 5.756 7.542 102 HG23 ILE 15 3HG2 ILE 15 9.189 6.076 5.966 103 HD11 ILE 15 1HD1 ILE 15 6.463 8.850 3.960 104 HD12 ILE 15 2HD1 ILE 15 5.791 8.461 5.560 105 HD13 ILE 15 3HD1 ILE 15 7.530 8.790 5.380 106 H PHE 16 H PHE 16 5.072 4.254 7.339 107 HA PHE 16 HA PHE 16 6.856 3.215 9.452 108 HB2 PHE 16 1HB PHE 16 3.918 3.854 9.747 109 HB3 PHE 16 2HB PHE 16 5.190 3.904 10.970 110 HD1 PHE 16 HD1 PHE 16 3.166 5.825 8.832 111 HD2 PHE 16 HD2 PHE 16 7.124 5.692 10.446 112 HE1 PHE 16 HE1 PHE 16 3.466 8.208 8.285 113 HE2 PHE 16 HE2 PHE 16 7.436 8.069 9.873 114 HZ PHE 16 HZ PHE 16 5.608 9.336 8.796 115 H CYS 17 H CYS 17 7.033 1.204 8.023 116 HA CYS 17 HA CYS 17 4.840 -0.335 7.281 117 HB2 CYS 17 1HB CYS 17 7.448 -1.645 8.119 118 HB3 CYS 17 2HB CYS 17 6.313 -2.147 6.863 119 HC CYS 17 HC CYS 17 4.304 -0.700 9.834 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.332 0.644 -2.135 2 HA2 GLY 1 1HA GLY 1 4.059 1.789 -0.174 3 HA3 GLY 1 2HA GLY 1 3.226 0.387 0.509 4 H GLY 2 H GLY 2 6.105 0.893 -0.166 5 HA2 GLY 2 1HA GLY 2 6.549 -0.831 -2.494 6 HA3 GLY 2 2HA GLY 2 7.761 0.087 -1.614 7 H GLY 3 H GLY 3 6.762 -1.236 1.009 8 HA2 GLY 3 1HA GLY 3 7.355 -4.029 0.694 9 HA3 GLY 3 2HA GLY 3 8.817 -3.137 1.110 10 H GLY 4 H GLY 4 5.813 -4.447 2.250 11 HA2 GLY 4 1HA GLY 4 6.134 -5.058 4.731 12 HA3 GLY 4 2HA GLY 4 6.306 -3.308 4.961 13 H ARG 5 H ARG 5 4.380 -3.453 6.368 14 HA ARG 5 HA ARG 5 1.918 -3.335 4.731 15 HB2 ARG 5 1HB ARG 5 0.691 -4.778 6.199 16 HB3 ARG 5 2HB ARG 5 2.137 -5.618 5.641 17 HG2 ARG 5 1HG ARG 5 3.067 -4.568 7.973 18 HG3 ARG 5 2HG ARG 5 1.355 -4.766 8.374 19 HD2 ARG 5 1HD ARG 5 3.248 -6.901 7.333 20 HD3 ARG 5 2HD ARG 5 2.663 -6.757 8.991 21 HE ARG 5 HE ARG 5 1.228 -7.812 6.663 22 HH11 ARG 5 1HH1 ARG 5 0.872 -6.694 10.006 23 HH12 ARG 5 2HH1 ARG 5 -0.638 -7.565 10.206 24 HH21 ARG 5 1HH2 ARG 5 -0.679 -8.841 6.993 25 HH22 ARG 5 2HH2 ARG 5 -1.502 -8.741 8.542 26 H GLY 6 H GLY 6 0.244 -2.097 5.474 27 HA2 GLY 6 1HA GLY 6 -0.575 -0.924 7.620 28 HA3 GLY 6 2HA GLY 6 1.026 -0.178 7.616 29 H TYR 7 H TYR 7 -2.110 -0.304 6.072 30 HA TYR 7 HA TYR 7 -3.274 1.217 4.877 31 HB2 TYR 7 1HB TYR 7 -1.613 2.755 6.452 32 HB3 TYR 7 2HB TYR 7 -1.334 3.432 4.863 33 HD1 TYR 7 HD1 TYR 7 -3.607 3.152 7.657 34 HD2 TYR 7 HD2 TYR 7 -3.396 4.246 3.526 35 HE1 TYR 7 HE1 TYR 7 -5.703 4.432 7.885 36 HE2 TYR 7 HE2 TYR 7 -5.501 5.504 3.756 37 HH TYR 7 HH TYR 7 -7.174 6.175 5.150 38 H GLU 8 H GLU 8 -1.619 3.289 3.152 39 HA GLU 8 HA GLU 8 -0.950 3.416 0.986 40 HB2 GLU 8 1HB GLU 8 1.020 2.320 2.402 41 HB3 GLU 8 2HB GLU 8 0.754 0.954 1.335 42 HG2 GLU 8 1HG GLU 8 1.024 3.757 0.173 43 HG3 GLU 8 2HG GLU 8 2.464 2.891 0.668 44 H TYR 9 H TYR 9 -2.749 3.112 -0.089 45 HA TYR 9 HA TYR 9 -3.976 2.309 -1.818 46 HB2 TYR 9 1HB TYR 9 -1.739 1.571 -2.706 47 HB3 TYR 9 2HB TYR 9 -2.065 -0.027 -2.033 48 HD1 TYR 9 HD1 TYR 9 -3.665 -1.523 -3.073 49 HD2 TYR 9 HD2 TYR 9 -3.087 2.426 -4.610 50 HE1 TYR 9 HE1 TYR 9 -4.948 -2.119 -5.093 51 HE2 TYR 9 HE2 TYR 9 -4.353 1.818 -6.639 52 HH TYR 9 HH TYR 9 -5.756 -1.428 -7.098 53 H ASN 10 H ASN 10 -2.927 -0.479 0.183 54 HA ASN 10 HA ASN 10 -5.748 -0.904 0.880 55 HB2 ASN 10 1HB ASN 10 -4.802 -2.262 -1.300 56 HB3 ASN 10 2HB ASN 10 -4.483 -3.432 -0.014 57 HD21 ASN 10 1HD2 ASN 10 -8.313 -2.471 -1.132 58 HD22 ASN 10 2HD2 ASN 10 -6.966 -1.427 -1.549 59 H LYS 11 H LYS 11 -2.663 -2.745 1.042 60 HA LYS 11 HA LYS 11 -2.914 -2.716 4.014 61 HB2 LYS 11 1HB LYS 11 -2.333 -5.132 2.263 62 HB3 LYS 11 2HB LYS 11 -2.250 -5.116 4.023 63 HG2 LYS 11 1HG LYS 11 -4.774 -4.629 2.407 64 HG3 LYS 11 2HG LYS 11 -4.298 -6.171 3.132 65 HD2 LYS 11 1HD LYS 11 -4.317 -5.114 5.376 66 HD3 LYS 11 2HD LYS 11 -4.889 -3.602 4.641 67 HE2 LYS 11 1HE LYS 11 -6.879 -4.776 3.778 68 HE3 LYS 11 2HE LYS 11 -6.317 -6.282 4.522 69 HZ1 LYS 11 1HZ LYS 11 -7.893 -5.101 5.974 70 HZ2 LYS 11 2HZ LYS 11 -6.420 -5.175 6.698 71 HZ3 LYS 11 3HZ LYS 11 -6.930 -3.773 6.003 72 H GLN 12 H GLN 12 -0.999 -1.935 1.455 73 HA GLN 12 HA GLN 12 1.508 -3.167 2.256 74 HB2 GLN 12 1HB GLN 12 0.848 -0.960 0.273 75 HB3 GLN 12 2HB GLN 12 2.433 -1.720 0.461 76 HG2 GLN 12 1HG GLN 12 1.721 -2.991 -1.230 77 HG3 GLN 12 2HG GLN 12 0.986 -3.932 0.072 78 HE21 GLN 12 1HE2 GLN 12 -1.303 -2.128 -2.753 79 HE22 GLN 12 2HE2 GLN 12 0.449 -2.108 -2.787 80 H CYS 13 H CYS 13 3.509 -1.697 2.466 81 HA CYS 13 HA CYS 13 3.062 -0.160 4.882 82 HB2 CYS 13 1HB CYS 13 5.147 -1.464 4.504 83 HB3 CYS 13 2HB CYS 13 5.585 -0.346 3.191 84 H LEU 14 H LEU 14 2.370 1.887 5.017 85 HA LEU 14 HA LEU 14 3.053 3.783 2.884 86 HB2 LEU 14 1HB LEU 14 0.826 3.695 4.048 87 HB3 LEU 14 2HB LEU 14 1.619 4.262 5.508 88 HG LEU 14 HG LEU 14 2.209 6.377 4.349 89 HD11 LEU 14 1HD1 LEU 14 1.047 6.928 2.227 90 HD12 LEU 14 2HD1 LEU 14 2.257 5.649 2.020 91 HD13 LEU 14 3HD1 LEU 14 0.526 5.233 2.087 92 HD21 LEU 14 1HD2 LEU 14 -0.056 7.281 4.386 93 HD22 LEU 14 2HD2 LEU 14 -0.741 5.648 4.229 94 HD23 LEU 14 3HD2 LEU 14 0.146 6.109 5.704 95 H ILE 15 H ILE 15 3.839 3.381 6.368 96 HA ILE 15 HA ILE 15 6.143 5.210 5.903 97 HB ILE 15 HB ILE 15 4.252 5.384 8.276 98 HG12 ILE 15 1HG1 ILE 15 4.851 7.497 6.186 99 HG13 ILE 15 2HG1 ILE 15 3.476 6.398 6.078 100 HG21 ILE 15 1HG2 ILE 15 6.587 5.780 8.946 101 HG22 ILE 15 2HG2 ILE 15 6.782 6.956 7.628 102 HG23 ILE 15 3HG2 ILE 15 5.678 7.293 8.980 103 HD11 ILE 15 1HD1 ILE 15 2.693 8.458 6.971 104 HD12 ILE 15 2HD1 ILE 15 2.657 7.249 8.273 105 HD13 ILE 15 3HD1 ILE 15 3.951 8.472 8.225 106 H PHE 16 H PHE 16 4.709 2.853 8.261 107 HA PHE 16 HA PHE 16 7.320 2.939 9.639 108 HB2 PHE 16 1HB PHE 16 4.649 1.821 10.526 109 HB3 PHE 16 2HB PHE 16 6.126 1.845 11.497 110 HD1 PHE 16 HD1 PHE 16 3.401 3.859 10.130 111 HD2 PHE 16 HD2 PHE 16 7.023 3.946 12.387 112 HE1 PHE 16 HE1 PHE 16 2.884 6.155 10.859 113 HE2 PHE 16 HE2 PHE 16 6.509 6.237 13.136 114 HZ PHE 16 HZ PHE 16 4.433 7.351 12.376 115 H CYS 17 H CYS 17 7.867 1.579 7.469 116 HA CYS 17 HA CYS 17 6.879 -1.071 7.304 117 HB2 CYS 17 1HB CYS 17 9.585 -0.233 6.189 118 HB3 CYS 17 2HB CYS 17 8.462 -1.455 5.573 119 HC CYS 17 HC CYS 17 8.849 -1.141 9.414 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.297 -0.245 -2.488 2 HA2 GLY 1 1HA GLY 1 2.759 1.067 -3.691 3 HA3 GLY 1 2HA GLY 1 2.349 2.457 -2.696 4 H GLY 2 H GLY 2 3.581 -0.644 -1.386 5 HA2 GLY 2 1HA GLY 2 6.304 0.348 -1.275 6 HA3 GLY 2 2HA GLY 2 5.479 0.396 0.287 7 H GLY 3 H GLY 3 6.830 -1.154 1.207 8 HA2 GLY 3 1HA GLY 3 6.900 -3.806 -0.142 9 HA3 GLY 3 2HA GLY 3 8.138 -3.178 0.931 10 H GLY 4 H GLY 4 7.114 -2.665 3.286 11 HA2 GLY 4 1HA GLY 4 6.221 -5.292 4.195 12 HA3 GLY 4 2HA GLY 4 6.559 -3.868 5.202 13 H ARG 5 H ARG 5 4.530 -4.423 6.398 14 HA ARG 5 HA ARG 5 2.161 -3.444 4.862 15 HB2 ARG 5 1HB ARG 5 2.059 -5.836 5.586 16 HB3 ARG 5 2HB ARG 5 2.162 -5.302 7.265 17 HG2 ARG 5 1HG ARG 5 0.017 -4.097 5.565 18 HG3 ARG 5 2HG ARG 5 -0.163 -5.800 6.009 19 HD2 ARG 5 1HD ARG 5 0.350 -3.586 8.015 20 HD3 ARG 5 2HD ARG 5 -1.268 -4.148 7.561 21 HE ARG 5 HE ARG 5 0.218 -6.418 8.306 22 HH11 ARG 5 1HH1 ARG 5 -1.018 -3.504 9.885 23 HH12 ARG 5 2HH1 ARG 5 -1.107 -4.298 11.448 24 HH21 ARG 5 1HH2 ARG 5 0.026 -7.357 10.291 25 HH22 ARG 5 2HH2 ARG 5 -0.542 -6.433 11.671 26 H GLY 6 H GLY 6 1.222 -1.658 5.506 27 HA2 GLY 6 1HA GLY 6 1.064 -0.779 8.249 28 HA3 GLY 6 2HA GLY 6 2.289 0.127 7.337 29 H TYR 7 H TYR 7 1.517 1.996 6.585 30 HA TYR 7 HA TYR 7 -1.305 2.290 5.808 31 HB2 TYR 7 1HB TYR 7 0.902 4.011 6.517 32 HB3 TYR 7 2HB TYR 7 0.283 4.509 4.947 33 HD1 TYR 7 HD1 TYR 7 -0.465 4.208 8.531 34 HD2 TYR 7 HD2 TYR 7 -2.063 5.283 4.709 35 HE1 TYR 7 HE1 TYR 7 -2.390 5.288 9.633 36 HE2 TYR 7 HE2 TYR 7 -3.987 6.350 5.818 37 HH TYR 7 HH TYR 7 -5.019 6.830 7.784 38 H GLU 8 H GLU 8 -0.934 3.920 3.482 39 HA GLU 8 HA GLU 8 -0.547 3.858 1.223 40 HB2 GLU 8 1HB GLU 8 1.677 2.690 1.725 41 HB3 GLU 8 2HB GLU 8 0.848 1.159 1.503 42 HG2 GLU 8 1HG GLU 8 0.454 3.091 -0.741 43 HG3 GLU 8 2HG GLU 8 2.123 2.601 -0.461 44 H TYR 9 H TYR 9 -1.690 3.247 -0.465 45 HA TYR 9 HA TYR 9 -3.992 2.640 -0.940 46 HB2 TYR 9 1HB TYR 9 -2.109 2.029 -2.490 47 HB3 TYR 9 2HB TYR 9 -2.161 0.396 -1.839 48 HD1 TYR 9 HD1 TYR 9 -3.885 -1.157 -2.542 49 HD2 TYR 9 HD2 TYR 9 -4.055 2.938 -3.774 50 HE1 TYR 9 HE1 TYR 9 -5.588 -1.730 -4.229 51 HE2 TYR 9 HE2 TYR 9 -5.749 2.354 -5.467 52 HH TYR 9 HH TYR 9 -6.981 0.707 -6.428 53 H ASN 10 H ASN 10 -2.792 -0.685 -0.483 54 HA ASN 10 HA ASN 10 -4.067 -0.948 2.068 55 HB2 ASN 10 1HB ASN 10 -5.940 -1.183 0.197 56 HB3 ASN 10 2HB ASN 10 -5.258 -2.806 0.008 57 HD21 ASN 10 1HD2 ASN 10 -7.911 -2.085 2.885 58 HD22 ASN 10 2HD2 ASN 10 -7.606 -1.047 1.504 59 H LYS 11 H LYS 11 -3.494 -2.959 3.031 60 HA LYS 11 HA LYS 11 -2.355 -4.866 3.433 61 HB2 LYS 11 1HB LYS 11 -2.097 -5.134 0.436 62 HB3 LYS 11 2HB LYS 11 -1.806 -6.395 1.635 63 HG2 LYS 11 1HG LYS 11 -4.176 -6.272 2.338 64 HG3 LYS 11 2HG LYS 11 -4.462 -5.017 1.112 65 HD2 LYS 11 1HD LYS 11 -3.686 -6.623 -0.634 66 HD3 LYS 11 2HD LYS 11 -3.601 -7.880 0.619 67 HE2 LYS 11 1HE LYS 11 -5.998 -7.575 1.098 68 HE3 LYS 11 2HE LYS 11 -6.091 -6.295 -0.122 69 HZ1 LYS 11 1HZ LYS 11 -6.789 -8.439 -1.054 70 HZ2 LYS 11 2HZ LYS 11 -5.412 -7.945 -1.800 71 HZ3 LYS 11 3HZ LYS 11 -5.350 -9.130 -0.666 72 H GLN 12 H GLN 12 -0.709 -2.595 1.340 73 HA GLN 12 HA GLN 12 1.910 -3.725 2.184 74 HB2 GLN 12 1HB GLN 12 1.046 -1.840 -0.009 75 HB3 GLN 12 2HB GLN 12 2.733 -1.904 0.506 76 HG2 GLN 12 1HG GLN 12 2.867 -3.416 -1.141 77 HG3 GLN 12 2HG GLN 12 2.405 -4.509 0.166 78 HE21 GLN 12 1HE2 GLN 12 -0.136 -3.751 -2.964 79 HE22 GLN 12 2HE2 GLN 12 1.377 -2.881 -2.773 80 H CYS 13 H CYS 13 3.355 -1.266 1.981 81 HA CYS 13 HA CYS 13 2.425 0.138 4.449 82 HB2 CYS 13 1HB CYS 13 4.158 -1.549 4.937 83 HB3 CYS 13 2HB CYS 13 5.209 -0.834 3.710 84 H LEU 14 H LEU 14 2.937 2.324 4.640 85 HA LEU 14 HA LEU 14 4.097 3.578 2.205 86 HB2 LEU 14 1HB LEU 14 1.832 4.295 3.113 87 HB3 LEU 14 2HB LEU 14 2.679 4.932 4.514 88 HG LEU 14 HG LEU 14 3.923 6.486 2.985 89 HD11 LEU 14 1HD1 LEU 14 1.949 5.404 0.933 90 HD12 LEU 14 2HD1 LEU 14 2.933 6.873 0.731 91 HD13 LEU 14 3HD1 LEU 14 3.725 5.292 0.865 92 HD21 LEU 14 1HD2 LEU 14 1.984 7.977 2.685 93 HD22 LEU 14 2HD2 LEU 14 0.881 6.602 2.930 94 HD23 LEU 14 3HD2 LEU 14 1.928 7.159 4.259 95 H ILE 15 H ILE 15 4.303 3.825 5.791 96 HA ILE 15 HA ILE 15 7.181 4.467 5.469 97 HB ILE 15 HB ILE 15 5.311 6.082 7.252 98 HG12 ILE 15 1HG1 ILE 15 6.940 7.075 4.895 99 HG13 ILE 15 2HG1 ILE 15 5.248 6.597 4.753 100 HG21 ILE 15 1HG2 ILE 15 7.332 7.398 7.787 101 HG22 ILE 15 2HG2 ILE 15 7.545 5.703 8.249 102 HG23 ILE 15 3HG2 ILE 15 8.311 6.318 6.768 103 HD11 ILE 15 1HD1 ILE 15 5.335 8.969 4.963 104 HD12 ILE 15 2HD1 ILE 15 4.640 8.301 6.456 105 HD13 ILE 15 3HD1 ILE 15 6.328 8.868 6.432 106 H PHE 16 H PHE 16 4.596 4.003 7.953 107 HA PHE 16 HA PHE 16 6.610 2.627 9.633 108 HB2 PHE 16 1HB PHE 16 3.814 3.631 10.241 109 HB3 PHE 16 2HB PHE 16 4.831 2.747 11.383 110 HD1 PHE 16 HD1 PHE 16 6.709 3.792 12.476 111 HD2 PHE 16 HD2 PHE 16 4.455 5.910 9.531 112 HE1 PHE 16 HE1 PHE 16 7.837 5.885 13.126 113 HE2 PHE 16 HE2 PHE 16 5.604 8.000 10.147 114 HZ PHE 16 HZ PHE 16 7.289 7.999 11.961 115 H CYS 17 H CYS 17 6.820 0.503 9.170 116 HA CYS 17 HA CYS 17 4.464 -0.891 8.064 117 HB2 CYS 17 1HB CYS 17 7.329 -1.909 8.125 118 HB3 CYS 17 2HB CYS 17 5.983 -2.489 7.127 119 HC CYS 17 HC CYS 17 4.199 -1.953 10.281 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.564 0.729 -1.919 2 HA2 GLY 1 1HA GLY 1 3.943 2.006 0.218 3 HA3 GLY 1 2HA GLY 1 3.100 0.572 0.832 4 H GLY 2 H GLY 2 5.996 1.122 0.591 5 HA2 GLY 2 1HA GLY 2 6.777 -0.834 -1.502 6 HA3 GLY 2 2HA GLY 2 7.836 0.334 -0.720 7 H GLY 3 H GLY 3 6.125 -0.916 1.791 8 HA2 GLY 3 1HA GLY 3 8.186 -3.042 2.220 9 HA3 GLY 3 2HA GLY 3 7.480 -2.051 3.504 10 H GLY 4 H GLY 4 6.699 -3.768 4.713 11 HA2 GLY 4 1HA GLY 4 5.265 -5.951 3.556 12 HA3 GLY 4 2HA GLY 4 5.340 -5.544 5.270 13 H ARG 5 H ARG 5 3.614 -4.455 6.236 14 HA ARG 5 HA ARG 5 1.335 -3.770 4.453 15 HB2 ARG 5 1HB ARG 5 1.354 -5.781 6.703 16 HB3 ARG 5 2HB ARG 5 -0.097 -4.847 6.358 17 HG2 ARG 5 1HG ARG 5 -0.576 -6.608 5.042 18 HG3 ARG 5 2HG ARG 5 0.356 -5.672 3.871 19 HD2 ARG 5 1HD ARG 5 1.143 -7.893 3.712 20 HD3 ARG 5 2HD ARG 5 2.396 -7.008 4.596 21 HE ARG 5 HE ARG 5 0.607 -8.121 6.487 22 HH11 ARG 5 1HH1 ARG 5 2.977 -9.287 4.134 23 HH12 ARG 5 2HH1 ARG 5 3.314 -10.728 5.076 24 HH21 ARG 5 1HH2 ARG 5 1.074 -9.967 7.600 25 HH22 ARG 5 2HH2 ARG 5 2.260 -11.107 6.991 26 H GLY 6 H GLY 6 -0.220 -2.381 5.291 27 HA2 GLY 6 1HA GLY 6 -0.704 -1.212 7.600 28 HA3 GLY 6 2HA GLY 6 0.915 -0.566 7.338 29 H TYR 7 H TYR 7 -2.222 -0.881 5.644 30 HA TYR 7 HA TYR 7 -3.669 0.740 5.055 31 HB2 TYR 7 1HB TYR 7 -2.466 1.935 7.009 32 HB3 TYR 7 2HB TYR 7 -1.734 2.919 5.739 33 HD1 TYR 7 HD1 TYR 7 -4.787 2.234 7.631 34 HD2 TYR 7 HD2 TYR 7 -3.190 4.267 4.234 35 HE1 TYR 7 HE1 TYR 7 -6.825 3.617 7.505 36 HE2 TYR 7 HE2 TYR 7 -5.222 5.683 4.125 37 HH TYR 7 HH TYR 7 -7.272 6.121 5.008 38 H GLU 8 H GLU 8 -0.477 1.032 3.629 39 HA GLU 8 HA GLU 8 -1.057 3.125 1.803 40 HB2 GLU 8 1HB GLU 8 1.232 2.165 2.435 41 HB3 GLU 8 2HB GLU 8 0.914 0.849 1.315 42 HG2 GLU 8 1HG GLU 8 0.463 3.587 0.191 43 HG3 GLU 8 2HG GLU 8 2.126 3.264 0.652 44 H TYR 9 H TYR 9 -2.947 2.965 0.870 45 HA TYR 9 HA TYR 9 -4.090 2.923 -1.069 46 HB2 TYR 9 1HB TYR 9 -1.655 2.834 -1.961 47 HB3 TYR 9 2HB TYR 9 -2.041 1.165 -2.391 48 HD1 TYR 9 HD1 TYR 9 -3.691 0.696 -4.169 49 HD2 TYR 9 HD2 TYR 9 -2.749 4.721 -3.069 50 HE1 TYR 9 HE1 TYR 9 -4.776 1.516 -6.227 51 HE2 TYR 9 HE2 TYR 9 -3.843 5.536 -5.125 52 HH TYR 9 HH TYR 9 -5.344 3.324 -7.480 53 H ASN 10 H ASN 10 -2.746 -0.289 -0.414 54 HA ASN 10 HA ASN 10 -5.505 -1.397 -0.769 55 HB2 ASN 10 1HB ASN 10 -4.201 -2.050 -2.726 56 HB3 ASN 10 2HB ASN 10 -2.872 -2.611 -1.705 57 HD21 ASN 10 1HD2 ASN 10 -4.139 -5.843 -1.766 58 HD22 ASN 10 2HD2 ASN 10 -2.763 -4.754 -1.788 59 H LYS 11 H LYS 11 -2.397 -2.886 0.214 60 HA LYS 11 HA LYS 11 -3.391 -2.927 3.024 61 HB2 LYS 11 1HB LYS 11 -2.178 -5.253 1.492 62 HB3 LYS 11 2HB LYS 11 -2.513 -5.254 3.220 63 HG2 LYS 11 1HG LYS 11 -4.601 -4.989 1.032 64 HG3 LYS 11 2HG LYS 11 -4.190 -6.484 1.871 65 HD2 LYS 11 1HD LYS 11 -5.303 -4.002 3.224 66 HD3 LYS 11 2HD LYS 11 -6.260 -5.391 2.705 67 HE2 LYS 11 1HE LYS 11 -4.942 -6.862 4.198 68 HE3 LYS 11 2HE LYS 11 -4.007 -5.457 4.743 69 HZ1 LYS 11 1HZ LYS 11 -5.883 -5.913 6.249 70 HZ2 LYS 11 2HZ LYS 11 -6.094 -4.453 5.522 71 HZ3 LYS 11 3HZ LYS 11 -6.958 -5.752 5.019 72 H GLN 12 H GLN 12 -0.951 -1.887 1.049 73 HA GLN 12 HA GLN 12 1.283 -3.317 2.230 74 HB2 GLN 12 1HB GLN 12 1.100 -1.061 0.216 75 HB3 GLN 12 2HB GLN 12 2.623 -1.785 0.744 76 HG2 GLN 12 1HG GLN 12 2.248 -2.959 -1.163 77 HG3 GLN 12 2HG GLN 12 1.523 -4.038 0.033 78 HE21 GLN 12 1HE2 GLN 12 -0.810 -2.083 -2.746 79 HE22 GLN 12 2HE2 GLN 12 0.848 -1.601 -2.460 80 H CYS 13 H CYS 13 3.306 -2.049 2.845 81 HA CYS 13 HA CYS 13 2.670 -0.563 5.246 82 HB2 CYS 13 1HB CYS 13 4.631 -2.010 5.120 83 HB3 CYS 13 2HB CYS 13 5.274 -1.054 3.773 84 H LEU 14 H LEU 14 2.296 1.520 5.525 85 HA LEU 14 HA LEU 14 2.978 3.412 3.365 86 HB2 LEU 14 1HB LEU 14 0.696 3.261 4.357 87 HB3 LEU 14 2HB LEU 14 1.360 3.758 5.902 88 HG LEU 14 HG LEU 14 1.973 5.954 4.921 89 HD11 LEU 14 1HD1 LEU 14 0.450 4.925 2.496 90 HD12 LEU 14 2HD1 LEU 14 0.942 6.612 2.766 91 HD13 LEU 14 3HD1 LEU 14 2.176 5.357 2.554 92 HD21 LEU 14 1HD2 LEU 14 -0.936 5.121 4.611 93 HD22 LEU 14 2HD2 LEU 14 -0.139 5.579 6.136 94 HD23 LEU 14 3HD2 LEU 14 -0.340 6.780 4.845 95 H ILE 15 H ILE 15 3.766 2.880 6.818 96 HA ILE 15 HA ILE 15 5.649 5.174 6.614 97 HB ILE 15 HB ILE 15 4.308 4.759 9.248 98 HG12 ILE 15 1HG1 ILE 15 2.940 6.306 7.022 99 HG13 ILE 15 2HG1 ILE 15 2.389 4.750 7.660 100 HG21 ILE 15 1HG2 ILE 15 5.082 7.270 7.701 101 HG22 ILE 15 2HG2 ILE 15 4.696 7.156 9.433 102 HG23 ILE 15 3HG2 ILE 15 6.167 6.401 8.808 103 HD11 ILE 15 1HD1 ILE 15 2.153 5.813 9.912 104 HD12 ILE 15 2HD1 ILE 15 2.463 7.383 9.131 105 HD13 ILE 15 3HD1 ILE 15 1.049 6.420 8.655 106 H PHE 16 H PHE 16 7.518 5.030 7.747 107 HA PHE 16 HA PHE 16 9.299 4.105 8.763 108 HB2 PHE 16 1HB PHE 16 7.262 2.573 10.389 109 HB3 PHE 16 2HB PHE 16 8.992 2.652 10.722 110 HD1 PHE 16 HD1 PHE 16 10.051 4.722 11.502 111 HD2 PHE 16 HD2 PHE 16 5.839 4.464 10.863 112 HE1 PHE 16 HE1 PHE 16 9.739 6.824 12.752 113 HE2 PHE 16 HE2 PHE 16 5.520 6.595 12.056 114 HZ PHE 16 HZ PHE 16 7.471 7.777 13.024 115 H CYS 17 H CYS 17 8.111 2.778 6.358 116 HA CYS 17 HA CYS 17 8.280 -0.035 6.584 117 HB2 CYS 17 1HB CYS 17 8.879 1.654 4.110 118 HB3 CYS 17 2HB CYS 17 8.390 -0.049 4.137 119 HC CYS 17 HC CYS 17 10.887 0.445 7.026 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.489 1.937 -0.306 2 HA2 GLY 1 1HA GLY 1 3.081 -0.537 -1.851 3 HA3 GLY 1 2HA GLY 1 3.658 0.851 -2.762 4 H GLY 2 H GLY 2 4.719 0.438 0.573 5 HA2 GLY 2 1HA GLY 2 7.455 0.204 -0.440 6 HA3 GLY 2 2HA GLY 2 6.961 0.482 1.225 7 H GLY 3 H GLY 3 5.544 -2.223 -0.499 8 HA2 GLY 3 1HA GLY 3 6.102 -4.464 -0.524 9 HA3 GLY 3 2HA GLY 3 7.629 -4.096 0.277 10 H GLY 4 H GLY 4 6.874 -2.979 2.638 11 HA2 GLY 4 1HA GLY 4 6.004 -5.317 4.116 12 HA3 GLY 4 2HA GLY 4 6.409 -3.726 4.783 13 H ARG 5 H ARG 5 4.596 -3.745 6.211 14 HA ARG 5 HA ARG 5 2.003 -3.271 4.809 15 HB2 ARG 5 1HB ARG 5 2.568 -4.999 7.226 16 HB3 ARG 5 2HB ARG 5 0.994 -4.244 6.982 17 HG2 ARG 5 1HG ARG 5 0.571 -6.237 5.994 18 HG3 ARG 5 2HG ARG 5 1.150 -5.338 4.590 19 HD2 ARG 5 1HD ARG 5 2.220 -7.421 4.467 20 HD3 ARG 5 2HD ARG 5 3.462 -6.328 5.093 21 HE ARG 5 HE ARG 5 2.143 -7.464 7.311 22 HH11 ARG 5 1HH1 ARG 5 4.190 -8.601 4.659 23 HH12 ARG 5 2HH1 ARG 5 4.794 -9.950 5.605 24 HH21 ARG 5 1HH2 ARG 5 2.955 -9.181 8.433 25 HH22 ARG 5 2HH2 ARG 5 4.107 -10.276 7.688 26 H GLY 6 H GLY 6 0.543 -1.870 5.792 27 HA2 GLY 6 1HA GLY 6 0.313 -0.495 7.979 28 HA3 GLY 6 2HA GLY 6 1.899 0.133 7.524 29 H TYR 7 H TYR 7 -1.492 -0.091 6.554 30 HA TYR 7 HA TYR 7 -2.865 1.358 5.507 31 HB2 TYR 7 1HB TYR 7 -1.164 2.974 6.846 32 HB3 TYR 7 2HB TYR 7 -0.922 3.591 5.229 33 HD1 TYR 7 HD1 TYR 7 -2.985 3.642 8.135 34 HD2 TYR 7 HD2 TYR 7 -3.155 4.184 3.891 35 HE1 TYR 7 HE1 TYR 7 -5.077 4.927 8.374 36 HE2 TYR 7 HE2 TYR 7 -5.245 5.448 4.138 37 HH TYR 7 HH TYR 7 -6.811 6.271 5.563 38 H GLU 8 H GLU 8 -1.174 3.414 3.604 39 HA GLU 8 HA GLU 8 -0.808 3.570 1.379 40 HB2 GLU 8 1HB GLU 8 0.849 1.588 2.225 41 HB3 GLU 8 2HB GLU 8 -0.082 0.681 1.042 42 HG2 GLU 8 1HG GLU 8 0.455 3.036 -0.353 43 HG3 GLU 8 2HG GLU 8 1.892 2.905 0.662 44 H TYR 9 H TYR 9 -1.052 1.449 -0.629 45 HA TYR 9 HA TYR 9 -3.625 2.326 -1.473 46 HB2 TYR 9 1HB TYR 9 -1.540 1.614 -2.823 47 HB3 TYR 9 2HB TYR 9 -2.116 -0.040 -2.613 48 HD1 TYR 9 HD1 TYR 9 -2.607 3.128 -4.374 49 HD2 TYR 9 HD2 TYR 9 -4.322 -0.720 -3.633 50 HE1 TYR 9 HE1 TYR 9 -4.053 3.385 -6.355 51 HE2 TYR 9 HE2 TYR 9 -5.744 -0.469 -5.628 52 HH TYR 9 HH TYR 9 -6.362 0.859 -7.360 53 H ASN 10 H ASN 10 -2.549 -0.781 -0.161 54 HA ASN 10 HA ASN 10 -5.420 -1.637 -0.048 55 HB2 ASN 10 1HB ASN 10 -2.927 -3.270 -0.683 56 HB3 ASN 10 2HB ASN 10 -4.471 -3.997 -0.198 57 HD21 ASN 10 1HD2 ASN 10 -3.869 -3.226 -4.021 58 HD22 ASN 10 2HD2 ASN 10 -2.608 -3.335 -2.807 59 H LYS 11 H LYS 11 -2.355 -2.929 1.230 60 HA LYS 11 HA LYS 11 -2.917 -1.859 3.890 61 HB2 LYS 11 1HB LYS 11 -2.731 -3.994 5.051 62 HB3 LYS 11 2HB LYS 11 -4.156 -3.939 4.023 63 HG2 LYS 11 1HG LYS 11 -1.722 -5.149 2.800 64 HG3 LYS 11 2HG LYS 11 -2.449 -6.032 4.154 65 HD2 LYS 11 1HD LYS 11 -4.644 -5.960 3.008 66 HD3 LYS 11 2HD LYS 11 -3.890 -5.135 1.635 67 HE2 LYS 11 1HE LYS 11 -2.379 -7.065 1.303 68 HE3 LYS 11 2HE LYS 11 -3.146 -7.895 2.667 69 HZ1 LYS 11 1HZ LYS 11 -5.260 -7.810 1.459 70 HZ2 LYS 11 2HZ LYS 11 -4.571 -7.025 0.194 71 HZ3 LYS 11 3HZ LYS 11 -4.144 -8.572 0.538 72 H GLN 12 H GLN 12 -0.916 -1.853 1.589 73 HA GLN 12 HA GLN 12 1.444 -3.205 2.637 74 HB2 GLN 12 1HB GLN 12 0.659 -1.826 0.164 75 HB3 GLN 12 2HB GLN 12 2.313 -1.463 0.658 76 HG2 GLN 12 1HG GLN 12 2.730 -3.931 0.871 77 HG3 GLN 12 2HG GLN 12 1.126 -4.208 0.181 78 HE21 GLN 12 1HE2 GLN 12 2.314 -3.966 -3.096 79 HE22 GLN 12 2HE2 GLN 12 1.106 -4.560 -1.974 80 H CYS 13 H CYS 13 3.563 -1.790 2.567 81 HA CYS 13 HA CYS 13 3.372 0.006 4.813 82 HB2 CYS 13 1HB CYS 13 5.331 -1.379 4.389 83 HB3 CYS 13 2HB CYS 13 5.586 -0.600 2.828 84 H LEU 14 H LEU 14 2.576 2.005 4.754 85 HA LEU 14 HA LEU 14 3.414 3.797 2.536 86 HB2 LEU 14 1HB LEU 14 1.044 3.765 3.348 87 HB3 LEU 14 2HB LEU 14 1.608 4.298 4.924 88 HG LEU 14 HG LEU 14 2.437 6.411 3.861 89 HD11 LEU 14 1HD1 LEU 14 2.672 5.672 1.541 90 HD12 LEU 14 2HD1 LEU 14 0.927 5.329 1.449 91 HD13 LEU 14 3HD1 LEU 14 1.502 7.001 1.637 92 HD21 LEU 14 1HD2 LEU 14 0.276 6.243 5.032 93 HD22 LEU 14 2HD2 LEU 14 0.186 7.379 3.671 94 HD23 LEU 14 3HD2 LEU 14 -0.514 5.752 3.514 95 H ILE 15 H ILE 15 3.563 3.545 6.109 96 HA ILE 15 HA ILE 15 5.901 5.411 6.028 97 HB ILE 15 HB ILE 15 3.784 5.246 8.207 98 HG12 ILE 15 1HG1 ILE 15 2.904 6.350 6.199 99 HG13 ILE 15 2HG1 ILE 15 3.041 7.426 7.579 100 HG21 ILE 15 1HG2 ILE 15 4.961 7.265 9.116 101 HG22 ILE 15 2HG2 ILE 15 5.932 5.784 9.164 102 HG23 ILE 15 3HG2 ILE 15 6.247 7.005 7.916 103 HD11 ILE 15 1HD1 ILE 15 3.670 8.492 5.446 104 HD12 ILE 15 2HD1 ILE 15 4.979 8.514 6.645 105 HD13 ILE 15 3HD1 ILE 15 5.030 7.357 5.293 106 H PHE 16 H PHE 16 4.319 2.695 7.797 107 HA PHE 16 HA PHE 16 6.563 2.848 9.718 108 HB2 PHE 16 1HB PHE 16 3.911 1.394 9.949 109 HB3 PHE 16 2HB PHE 16 5.097 1.642 11.234 110 HD1 PHE 16 HD1 PHE 16 2.098 2.841 9.875 111 HD2 PHE 16 HD2 PHE 16 5.753 4.220 11.611 112 HE1 PHE 16 HE1 PHE 16 1.018 4.982 10.441 113 HE2 PHE 16 HE2 PHE 16 4.690 6.376 12.145 114 HZ PHE 16 HZ PHE 16 2.313 6.759 11.577 115 H CYS 17 H CYS 17 7.171 1.663 7.253 116 HA CYS 17 HA CYS 17 7.063 -1.064 6.944 117 HB2 CYS 17 1HB CYS 17 9.171 1.016 6.429 118 HB3 CYS 17 2HB CYS 17 9.698 -0.676 6.350 119 HC CYS 17 HC CYS 17 8.100 -1.038 9.543 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.122 1.600 -0.001 2 HA2 GLY 1 1HA GLY 1 2.652 -0.688 -1.454 3 HA3 GLY 1 2HA GLY 1 3.079 0.480 -2.692 4 H GLY 2 H GLY 2 4.589 0.530 0.531 5 HA2 GLY 2 1HA GLY 2 7.168 0.243 -0.809 6 HA3 GLY 2 2HA GLY 2 6.891 0.648 0.881 7 H GLY 3 H GLY 3 5.480 -2.233 -0.608 8 HA2 GLY 3 1HA GLY 3 6.223 -4.424 -0.607 9 HA3 GLY 3 2HA GLY 3 7.714 -3.926 0.183 10 H GLY 4 H GLY 4 6.857 -2.867 2.574 11 HA2 GLY 4 1HA GLY 4 6.022 -5.321 3.950 12 HA3 GLY 4 2HA GLY 4 6.510 -3.799 4.708 13 H ARG 5 H ARG 5 4.658 -3.926 6.168 14 HA ARG 5 HA ARG 5 2.036 -3.659 4.774 15 HB2 ARG 5 1HB ARG 5 0.986 -4.590 6.684 16 HB3 ARG 5 2HB ARG 5 2.338 -5.636 6.249 17 HG2 ARG 5 1HG ARG 5 3.686 -4.627 8.073 18 HG3 ARG 5 2HG ARG 5 2.295 -3.613 8.512 19 HD2 ARG 5 1HD ARG 5 0.955 -5.726 8.802 20 HD3 ARG 5 2HD ARG 5 2.450 -6.645 8.580 21 HE ARG 5 HE ARG 5 1.635 -5.062 10.912 22 HH11 ARG 5 1HH1 ARG 5 4.359 -6.706 9.351 23 HH12 ARG 5 2HH1 ARG 5 5.240 -6.827 10.863 24 HH21 ARG 5 1HH2 ARG 5 2.823 -5.229 12.750 25 HH22 ARG 5 2HH2 ARG 5 4.399 -6.002 12.738 26 H GLY 6 H GLY 6 0.368 -2.331 5.851 27 HA2 GLY 6 1HA GLY 6 0.583 -0.435 7.761 28 HA3 GLY 6 2HA GLY 6 1.591 0.259 6.481 29 H TYR 7 H TYR 7 0.169 2.042 6.302 30 HA TYR 7 HA TYR 7 -2.642 1.758 5.775 31 HB2 TYR 7 1HB TYR 7 -1.437 3.727 6.768 32 HB3 TYR 7 2HB TYR 7 -0.796 4.074 5.158 33 HD1 TYR 7 HD1 TYR 7 -3.760 4.220 7.317 34 HD2 TYR 7 HD2 TYR 7 -2.332 4.731 3.325 35 HE1 TYR 7 HE1 TYR 7 -5.826 5.433 6.736 36 HE2 TYR 7 HE2 TYR 7 -4.380 6.004 2.756 37 HH TYR 7 HH TYR 7 -6.400 6.758 3.475 38 H GLU 8 H GLU 8 0.164 1.882 3.610 39 HA GLU 8 HA GLU 8 -1.064 3.390 1.557 40 HB2 GLU 8 1HB GLU 8 1.423 3.034 1.934 41 HB3 GLU 8 2HB GLU 8 1.245 1.402 1.311 42 HG2 GLU 8 1HG GLU 8 0.079 3.392 -0.536 43 HG3 GLU 8 2HG GLU 8 1.765 3.760 -0.173 44 H TYR 9 H TYR 9 -2.540 3.013 0.212 45 HA TYR 9 HA TYR 9 -3.873 2.066 -1.339 46 HB2 TYR 9 1HB TYR 9 -1.712 1.682 -2.436 47 HB3 TYR 9 2HB TYR 9 -1.614 0.081 -1.708 48 HD1 TYR 9 HD1 TYR 9 -3.628 2.190 -4.046 49 HD2 TYR 9 HD2 TYR 9 -2.704 -1.776 -2.738 50 HE1 TYR 9 HE1 TYR 9 -4.939 1.263 -5.919 51 HE2 TYR 9 HE2 TYR 9 -4.016 -2.698 -4.614 52 HH TYR 9 HH TYR 9 -5.689 -0.606 -6.967 53 H ASN 10 H ASN 10 -2.444 -0.992 -0.172 54 HA ASN 10 HA ASN 10 -5.030 -1.740 1.032 55 HB2 ASN 10 1HB ASN 10 -5.089 -2.437 -1.413 56 HB3 ASN 10 2HB ASN 10 -3.737 -3.528 -1.055 57 HD21 ASN 10 1HD2 ASN 10 -6.827 -5.521 -0.806 58 HD22 ASN 10 2HD2 ASN 10 -5.930 -4.667 -2.051 59 H LYS 11 H LYS 11 -3.720 -1.459 2.873 60 HA LYS 11 HA LYS 11 -2.542 -2.216 4.651 61 HB2 LYS 11 1HB LYS 11 -2.768 -4.926 3.317 62 HB3 LYS 11 2HB LYS 11 -2.293 -4.617 4.989 63 HG2 LYS 11 1HG LYS 11 -4.641 -3.301 4.977 64 HG3 LYS 11 2HG LYS 11 -4.989 -4.511 3.732 65 HD2 LYS 11 1HD LYS 11 -3.925 -5.115 6.516 66 HD3 LYS 11 2HD LYS 11 -5.630 -5.197 6.049 67 HE2 LYS 11 1HE LYS 11 -5.090 -6.933 4.373 68 HE3 LYS 11 2HE LYS 11 -3.381 -6.847 4.833 69 HZ1 LYS 11 1HZ LYS 11 -4.028 -7.495 7.106 70 HZ2 LYS 11 2HZ LYS 11 -5.610 -7.586 6.670 71 HZ3 LYS 11 3HZ LYS 11 -4.523 -8.639 6.037 72 H GLN 12 H GLN 12 -0.953 -1.282 2.315 73 HA GLN 12 HA GLN 12 1.509 -2.909 2.754 74 HB2 GLN 12 1HB GLN 12 0.682 -1.104 0.476 75 HB3 GLN 12 2HB GLN 12 2.319 -1.743 0.668 76 HG2 GLN 12 1HG GLN 12 1.632 -3.970 0.373 77 HG3 GLN 12 2HG GLN 12 -0.069 -3.574 0.646 78 HE21 GLN 12 1HE2 GLN 12 -0.753 -3.187 -2.732 79 HE22 GLN 12 2HE2 GLN 12 -1.296 -3.568 -1.105 80 H CYS 13 H CYS 13 3.572 -1.696 2.608 81 HA CYS 13 HA CYS 13 3.673 0.121 4.795 82 HB2 CYS 13 1HB CYS 13 5.584 -1.268 4.120 83 HB3 CYS 13 2HB CYS 13 5.712 -0.373 2.600 84 H LEU 14 H LEU 14 3.276 2.181 5.004 85 HA LEU 14 HA LEU 14 3.535 3.952 2.621 86 HB2 LEU 14 1HB LEU 14 1.338 3.942 3.867 87 HB3 LEU 14 2HB LEU 14 2.195 4.525 5.286 88 HG LEU 14 HG LEU 14 2.823 6.582 4.037 89 HD11 LEU 14 1HD1 LEU 14 1.575 7.130 1.968 90 HD12 LEU 14 2HD1 LEU 14 2.699 5.782 1.729 91 HD13 LEU 14 3HD1 LEU 14 0.955 5.465 1.910 92 HD21 LEU 14 1HD2 LEU 14 0.833 6.438 5.517 93 HD22 LEU 14 2HD2 LEU 14 0.613 7.592 4.186 94 HD23 LEU 14 3HD2 LEU 14 -0.158 5.993 4.105 95 H ILE 15 H ILE 15 4.218 3.876 6.152 96 HA ILE 15 HA ILE 15 6.833 5.157 5.557 97 HB ILE 15 HB ILE 15 5.001 6.022 7.835 98 HG12 ILE 15 1HG1 ILE 15 6.015 7.707 5.527 99 HG13 ILE 15 2HG1 ILE 15 4.452 6.894 5.497 100 HG21 ILE 15 1HG2 ILE 15 7.787 6.973 7.040 101 HG22 ILE 15 2HG2 ILE 15 6.792 7.647 8.350 102 HG23 ILE 15 3HG2 ILE 15 7.393 5.988 8.465 103 HD11 ILE 15 1HD1 ILE 15 3.788 8.133 7.547 104 HD12 ILE 15 2HD1 ILE 15 5.307 9.054 7.433 105 HD13 ILE 15 3HD1 ILE 15 4.100 9.165 6.134 106 H PHE 16 H PHE 16 4.792 3.675 8.132 107 HA PHE 16 HA PHE 16 7.263 2.471 9.260 108 HB2 PHE 16 1HB PHE 16 4.487 2.765 10.446 109 HB3 PHE 16 2HB PHE 16 5.866 1.998 11.241 110 HD1 PHE 16 HD1 PHE 16 7.710 3.322 12.123 111 HD2 PHE 16 HD2 PHE 16 4.432 5.184 10.118 112 HE1 PHE 16 HE1 PHE 16 8.481 5.524 12.920 113 HE2 PHE 16 HE2 PHE 16 5.207 7.392 10.890 114 HZ PHE 16 HZ PHE 16 7.232 7.569 12.303 115 H CYS 17 H CYS 17 7.539 0.796 7.740 116 HA CYS 17 HA CYS 17 5.436 -0.578 6.530 117 HB2 CYS 17 1HB CYS 17 8.247 -1.687 6.992 118 HB3 CYS 17 2HB CYS 17 7.101 -2.184 5.740 119 HC CYS 17 HC CYS 17 5.290 -1.724 9.070 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.825 1.687 -2.564 2 HA2 GLY 1 1HA GLY 1 2.433 0.578 0.030 3 HA3 GLY 1 2HA GLY 1 3.037 0.039 -1.533 4 H GLY 2 H GLY 2 4.592 -0.087 0.688 5 HA2 GLY 2 1HA GLY 2 6.974 1.215 -0.090 6 HA3 GLY 2 2HA GLY 2 6.204 2.199 1.162 7 H GLY 3 H GLY 3 5.987 -1.346 0.965 8 HA2 GLY 3 1HA GLY 3 7.955 -2.414 2.377 9 HA3 GLY 3 2HA GLY 3 7.147 -1.506 3.670 10 H GLY 4 H GLY 4 6.798 -3.677 4.599 11 HA2 GLY 4 1HA GLY 4 5.463 -5.760 3.311 12 HA3 GLY 4 2HA GLY 4 5.523 -5.517 5.051 13 H ARG 5 H ARG 5 3.721 -4.436 6.097 14 HA ARG 5 HA ARG 5 1.285 -4.168 4.421 15 HB2 ARG 5 1HB ARG 5 1.573 -6.028 6.800 16 HB3 ARG 5 2HB ARG 5 0.027 -5.515 6.133 17 HG2 ARG 5 1HG ARG 5 0.098 -7.304 4.826 18 HG3 ARG 5 2HG ARG 5 1.363 -6.488 3.898 19 HD2 ARG 5 1HD ARG 5 3.083 -7.505 5.345 20 HD3 ARG 5 2HD ARG 5 1.826 -8.325 6.279 21 HE ARG 5 HE ARG 5 2.799 -9.005 3.594 22 HH11 ARG 5 1HH1 ARG 5 0.245 -9.585 5.979 23 HH12 ARG 5 2HH1 ARG 5 -0.195 -11.113 5.236 24 HH21 ARG 5 1HH2 ARG 5 2.164 -10.918 2.719 25 HH22 ARG 5 2HH2 ARG 5 0.859 -11.847 3.437 26 H GLY 6 H GLY 6 -0.068 -2.576 5.070 27 HA2 GLY 6 1HA GLY 6 -0.414 -1.866 7.815 28 HA3 GLY 6 2HA GLY 6 0.686 -0.722 7.047 29 H TYR 7 H TYR 7 -0.173 0.117 4.823 30 HA TYR 7 HA TYR 7 -3.058 0.403 4.641 31 HB2 TYR 7 1HB TYR 7 -2.080 1.951 6.538 32 HB3 TYR 7 2HB TYR 7 -1.614 2.993 5.212 33 HD1 TYR 7 HD1 TYR 7 -4.323 1.743 7.275 34 HD2 TYR 7 HD2 TYR 7 -3.486 3.837 3.639 35 HE1 TYR 7 HE1 TYR 7 -6.614 2.652 7.267 36 HE2 TYR 7 HE2 TYR 7 -5.772 4.758 3.647 37 HH TYR 7 HH TYR 7 -7.777 4.852 4.715 38 H GLU 8 H GLU 8 -1.343 3.172 3.621 39 HA GLU 8 HA GLU 8 -0.653 3.969 1.626 40 HB2 GLU 8 1HB GLU 8 1.142 2.203 2.344 41 HB3 GLU 8 2HB GLU 8 0.577 1.261 0.985 42 HG2 GLU 8 1HG GLU 8 1.293 4.208 0.631 43 HG3 GLU 8 2HG GLU 8 2.573 3.013 0.707 44 H TYR 9 H TYR 9 -0.787 0.875 0.061 45 HA TYR 9 HA TYR 9 -2.608 2.034 -1.930 46 HB2 TYR 9 1HB TYR 9 -0.526 0.436 -2.228 47 HB3 TYR 9 2HB TYR 9 -1.701 -0.845 -1.922 48 HD1 TYR 9 HD1 TYR 9 -0.745 1.924 -4.194 49 HD2 TYR 9 HD2 TYR 9 -3.391 -1.388 -3.618 50 HE1 TYR 9 HE1 TYR 9 -1.386 2.021 -6.572 51 HE2 TYR 9 HE2 TYR 9 -4.030 -1.284 -6.000 52 HH TYR 9 HH TYR 9 -3.749 -0.225 -8.000 53 H ASN 10 H ASN 10 -2.601 -0.434 0.545 54 HA ASN 10 HA ASN 10 -5.239 -0.383 1.314 55 HB2 ASN 10 1HB ASN 10 -5.112 -1.657 -1.243 56 HB3 ASN 10 2HB ASN 10 -5.336 -2.938 -0.041 57 HD21 ASN 10 1HD2 ASN 10 -8.299 -0.186 -0.719 58 HD22 ASN 10 2HD2 ASN 10 -6.641 0.157 -1.188 59 H LYS 11 H LYS 11 -2.579 -2.593 0.458 60 HA LYS 11 HA LYS 11 -2.751 -3.746 3.200 61 HB2 LYS 11 1HB LYS 11 -2.361 -5.965 2.300 62 HB3 LYS 11 2HB LYS 11 -3.852 -5.265 1.677 63 HG2 LYS 11 1HG LYS 11 -1.544 -4.737 -0.055 64 HG3 LYS 11 2HG LYS 11 -1.841 -6.467 0.188 65 HD2 LYS 11 1HD LYS 11 -4.170 -6.185 -0.508 66 HD3 LYS 11 2HD LYS 11 -3.924 -4.442 -0.709 67 HE2 LYS 11 1HE LYS 11 -2.226 -6.451 -2.196 68 HE3 LYS 11 2HE LYS 11 -3.807 -5.947 -2.813 69 HZ1 LYS 11 1HZ LYS 11 -1.914 -4.544 -3.631 70 HZ2 LYS 11 2HZ LYS 11 -3.071 -3.674 -2.869 71 HZ3 LYS 11 3HZ LYS 11 -1.663 -3.999 -2.099 72 H GLN 12 H GLN 12 -0.825 -1.777 1.852 73 HA GLN 12 HA GLN 12 1.664 -3.314 2.477 74 HB2 GLN 12 1HB GLN 12 1.112 -1.356 0.244 75 HB3 GLN 12 2HB GLN 12 2.737 -1.584 0.892 76 HG2 GLN 12 1HG GLN 12 2.792 -3.029 -0.850 77 HG3 GLN 12 2HG GLN 12 2.332 -4.112 0.465 78 HE21 GLN 12 1HE2 GLN 12 -0.008 -5.265 -1.947 79 HE22 GLN 12 2HE2 GLN 12 1.557 -5.549 -1.211 80 H CYS 13 H CYS 13 3.408 -2.091 3.433 81 HA CYS 13 HA CYS 13 2.447 -0.278 5.432 82 HB2 CYS 13 1HB CYS 13 5.157 -1.137 4.478 83 HB3 CYS 13 2HB CYS 13 5.038 0.308 5.487 84 H LEU 14 H LEU 14 2.532 1.913 5.664 85 HA LEU 14 HA LEU 14 2.783 3.497 3.178 86 HB2 LEU 14 1HB LEU 14 0.833 3.746 4.678 87 HB3 LEU 14 2HB LEU 14 1.900 4.204 5.994 88 HG LEU 14 HG LEU 14 2.413 6.316 4.947 89 HD11 LEU 14 1HD1 LEU 14 1.292 7.041 2.874 90 HD12 LEU 14 2HD1 LEU 14 2.404 5.692 2.577 91 HD13 LEU 14 3HD1 LEU 14 0.647 5.400 2.647 92 HD21 LEU 14 1HD2 LEU 14 0.175 7.299 5.046 93 HD22 LEU 14 2HD2 LEU 14 -0.563 5.695 4.840 94 HD23 LEU 14 3HD2 LEU 14 0.367 6.071 6.312 95 H ILE 15 H ILE 15 5.096 2.587 3.462 96 HA ILE 15 HA ILE 15 7.308 2.849 3.952 97 HB ILE 15 HB ILE 15 7.134 5.666 4.899 98 HG12 ILE 15 1HG1 ILE 15 6.644 5.032 1.969 99 HG13 ILE 15 2HG1 ILE 15 5.391 5.599 3.077 100 HG21 ILE 15 1HG2 ILE 15 9.124 5.903 3.537 101 HG22 ILE 15 2HG2 ILE 15 9.269 4.382 4.426 102 HG23 ILE 15 3HG2 ILE 15 8.806 4.358 2.713 103 HD11 ILE 15 1HD1 ILE 15 6.108 7.486 1.872 104 HD12 ILE 15 2HD1 ILE 15 6.788 7.644 3.507 105 HD13 ILE 15 3HD1 ILE 15 7.823 7.124 2.157 106 H PHE 16 H PHE 16 8.814 3.760 5.887 107 HA PHE 16 HA PHE 16 9.353 3.613 8.105 108 HB2 PHE 16 1HB PHE 16 6.521 4.358 8.800 109 HB3 PHE 16 2HB PHE 16 8.018 4.796 9.625 110 HD1 PHE 16 HD1 PHE 16 5.446 6.078 7.747 111 HD2 PHE 16 HD2 PHE 16 9.718 6.134 7.873 112 HE1 PHE 16 HE1 PHE 16 5.453 8.161 6.434 113 HE2 PHE 16 HE2 PHE 16 9.732 8.189 6.514 114 HZ PHE 16 HZ PHE 16 7.600 9.217 5.799 115 H CYS 17 H CYS 17 8.365 1.220 6.799 116 HA CYS 17 HA CYS 17 6.316 -0.076 8.273 117 HB2 CYS 17 1HB CYS 17 7.415 -0.650 5.938 118 HB3 CYS 17 2HB CYS 17 8.535 -1.625 6.911 119 HC CYS 17 HC CYS 17 7.560 -0.595 10.310 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.775 0.644 -1.699 2 HA2 GLY 1 1HA GLY 1 2.984 2.412 0.315 3 HA3 GLY 1 2HA GLY 1 2.556 0.791 0.855 4 H GLY 2 H GLY 2 4.894 1.017 1.344 5 HA2 GLY 2 1HA GLY 2 6.457 -0.397 -0.692 6 HA3 GLY 2 2HA GLY 2 7.039 1.232 -0.297 7 H GLY 3 H GLY 3 5.861 -1.732 1.357 8 HA2 GLY 3 1HA GLY 3 8.218 -2.183 2.848 9 HA3 GLY 3 2HA GLY 3 7.105 -1.223 3.850 10 H GLY 4 H GLY 4 6.590 -2.903 5.316 11 HA2 GLY 4 1HA GLY 4 5.771 -5.514 4.437 12 HA3 GLY 4 2HA GLY 4 5.544 -4.826 6.050 13 H ARG 5 H ARG 5 3.465 -4.326 6.668 14 HA ARG 5 HA ARG 5 1.482 -3.782 4.552 15 HB2 ARG 5 1HB ARG 5 -0.094 -5.434 5.402 16 HB3 ARG 5 2HB ARG 5 1.380 -6.187 4.799 17 HG2 ARG 5 1HG ARG 5 1.278 -7.389 6.679 18 HG3 ARG 5 2HG ARG 5 2.024 -5.970 7.428 19 HD2 ARG 5 1HD ARG 5 -0.168 -5.144 8.117 20 HD3 ARG 5 2HD ARG 5 -0.961 -6.506 7.298 21 HE ARG 5 HE ARG 5 0.950 -7.548 9.111 22 HH11 ARG 5 1HH1 ARG 5 -2.144 -5.838 9.251 23 HH12 ARG 5 2HH1 ARG 5 -2.546 -6.541 10.808 24 HH21 ARG 5 1HH2 ARG 5 0.374 -8.378 11.068 25 HH22 ARG 5 2HH2 ARG 5 -1.154 -7.941 11.815 26 H GLY 6 H GLY 6 -0.257 -2.570 5.147 27 HA2 GLY 6 1HA GLY 6 -1.207 -1.780 7.593 28 HA3 GLY 6 2HA GLY 6 0.321 -0.889 7.444 29 H TYR 7 H TYR 7 -0.603 1.165 7.230 30 HA TYR 7 HA TYR 7 -2.695 1.845 5.410 31 HB2 TYR 7 1HB TYR 7 -0.434 3.348 6.736 32 HB3 TYR 7 2HB TYR 7 -1.373 4.125 5.465 33 HD1 TYR 7 HD1 TYR 7 -1.542 2.802 8.916 34 HD2 TYR 7 HD2 TYR 7 -3.678 4.776 5.777 35 HE1 TYR 7 HE1 TYR 7 -3.287 3.485 10.522 36 HE2 TYR 7 HE2 TYR 7 -5.421 5.443 7.385 37 HH TYR 7 HH TYR 7 -6.117 5.426 9.539 38 H GLU 8 H GLU 8 -2.595 2.976 3.474 39 HA GLU 8 HA GLU 8 -1.609 3.821 1.528 40 HB2 GLU 8 1HB GLU 8 0.756 3.229 2.230 41 HB3 GLU 8 2HB GLU 8 0.481 1.625 1.558 42 HG2 GLU 8 1HG GLU 8 -0.266 3.917 -0.229 43 HG3 GLU 8 2HG GLU 8 1.448 3.785 0.117 44 H TYR 9 H TYR 9 -3.501 3.367 0.733 45 HA TYR 9 HA TYR 9 -5.079 2.331 -0.555 46 HB2 TYR 9 1HB TYR 9 -2.926 2.224 -2.011 47 HB3 TYR 9 2HB TYR 9 -2.953 0.501 -1.687 48 HD1 TYR 9 HD1 TYR 9 -4.708 3.329 -3.289 49 HD2 TYR 9 HD2 TYR 9 -4.690 -0.915 -2.738 50 HE1 TYR 9 HE1 TYR 9 -6.349 3.081 -5.112 51 HE2 TYR 9 HE2 TYR 9 -6.335 -1.154 -4.556 52 HH TYR 9 HH TYR 9 -7.603 1.656 -6.350 53 H ASN 10 H ASN 10 -3.746 -0.804 -0.865 54 HA ASN 10 HA ASN 10 -4.899 -1.764 1.688 55 HB2 ASN 10 1HB ASN 10 -5.831 -2.624 -1.083 56 HB3 ASN 10 2HB ASN 10 -6.236 -3.482 0.411 57 HD21 ASN 10 1HD2 ASN 10 -8.455 -0.884 1.584 58 HD22 ASN 10 2HD2 ASN 10 -7.231 -1.996 2.168 59 H LYS 11 H LYS 11 -2.173 -1.614 0.313 60 HA LYS 11 HA LYS 11 -1.804 -4.517 -0.303 61 HB2 LYS 11 1HB LYS 11 -0.482 -2.130 -1.632 62 HB3 LYS 11 2HB LYS 11 -0.182 -3.820 -2.020 63 HG2 LYS 11 1HG LYS 11 -2.804 -2.335 -2.388 64 HG3 LYS 11 2HG LYS 11 -1.642 -2.722 -3.658 65 HD2 LYS 11 1HD LYS 11 -3.163 -4.773 -2.011 66 HD3 LYS 11 2HD LYS 11 -3.608 -4.222 -3.630 67 HE2 LYS 11 1HE LYS 11 -1.430 -5.038 -4.498 68 HE3 LYS 11 2HE LYS 11 -1.029 -5.642 -2.880 69 HZ1 LYS 11 1HZ LYS 11 -3.037 -7.044 -2.989 70 HZ2 LYS 11 2HZ LYS 11 -3.380 -6.500 -4.499 71 HZ3 LYS 11 3HZ LYS 11 -2.034 -7.402 -4.240 72 H GLN 12 H GLN 12 0.246 -1.665 0.480 73 HA GLN 12 HA GLN 12 1.898 -3.473 2.178 74 HB2 GLN 12 1HB GLN 12 2.804 -1.738 -0.135 75 HB3 GLN 12 2HB GLN 12 3.871 -2.061 1.228 76 HG2 GLN 12 1HG GLN 12 4.524 -3.698 -0.191 77 HG3 GLN 12 2HG GLN 12 3.332 -4.565 0.781 78 HE21 GLN 12 1HE2 GLN 12 1.710 -5.642 -2.107 79 HE22 GLN 12 2HE2 GLN 12 2.158 -5.911 -0.432 80 H CYS 13 H CYS 13 3.426 -2.204 3.548 81 HA CYS 13 HA CYS 13 2.013 -0.227 5.056 82 HB2 CYS 13 1HB CYS 13 4.518 -1.651 5.140 83 HB3 CYS 13 2HB CYS 13 4.842 0.065 5.408 84 H LEU 14 H LEU 14 2.394 2.014 5.334 85 HA LEU 14 HA LEU 14 3.071 3.385 2.862 86 HB2 LEU 14 1HB LEU 14 1.150 3.937 4.325 87 HB3 LEU 14 2HB LEU 14 2.263 4.441 5.582 88 HG LEU 14 HG LEU 14 2.929 6.381 4.311 89 HD11 LEU 14 1HD1 LEU 14 2.817 5.471 2.013 90 HD12 LEU 14 2HD1 LEU 14 1.038 5.430 2.127 91 HD13 LEU 14 3HD1 LEU 14 1.902 6.981 2.179 92 HD21 LEU 14 1HD2 LEU 14 0.775 7.540 4.311 93 HD22 LEU 14 2HD2 LEU 14 -0.086 5.984 4.279 94 HD23 LEU 14 3HD2 LEU 14 0.888 6.439 5.700 95 H ILE 15 H ILE 15 5.261 2.116 3.562 96 HA ILE 15 HA ILE 15 7.510 2.350 3.785 97 HB ILE 15 HB ILE 15 7.296 5.359 3.994 98 HG12 ILE 15 1HG1 ILE 15 7.220 3.797 1.387 99 HG13 ILE 15 2HG1 ILE 15 5.799 4.555 2.109 100 HG21 ILE 15 1HG2 ILE 15 9.533 4.272 4.187 101 HG22 ILE 15 2HG2 ILE 15 9.278 3.487 2.614 102 HG23 ILE 15 3HG2 ILE 15 9.419 5.255 2.730 103 HD11 ILE 15 1HD1 ILE 15 6.555 6.018 0.436 104 HD12 ILE 15 2HD1 ILE 15 6.983 6.762 1.993 105 HD13 ILE 15 3HD1 ILE 15 8.233 5.954 1.013 106 H PHE 16 H PHE 16 9.180 2.766 5.416 107 HA PHE 16 HA PHE 16 9.877 2.689 7.591 108 HB2 PHE 16 1HB PHE 16 7.814 4.867 7.999 109 HB3 PHE 16 2HB PHE 16 9.109 4.437 9.117 110 HD1 PHE 16 HD1 PHE 16 11.447 4.981 8.619 111 HD2 PHE 16 HD2 PHE 16 8.291 6.073 5.961 112 HE1 PHE 16 HE1 PHE 16 12.990 6.479 7.413 113 HE2 PHE 16 HE2 PHE 16 9.839 7.522 4.705 114 HZ PHE 16 HZ PHE 16 12.194 7.748 5.441 115 H CYS 17 H CYS 17 8.120 0.656 6.967 116 HA CYS 17 HA CYS 17 5.753 0.511 8.500 117 HB2 CYS 17 1HB CYS 17 6.713 -1.110 6.637 118 HB3 CYS 17 2HB CYS 17 7.419 -1.970 8.022 119 HC CYS 17 HC CYS 17 6.665 0.341 10.753 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.534 -0.417 -1.904 2 HA2 GLY 1 1HA GLY 1 2.880 1.076 -3.053 3 HA3 GLY 1 2HA GLY 1 2.414 2.362 -1.945 4 H GLY 2 H GLY 2 3.855 -0.772 -0.984 5 HA2 GLY 2 1HA GLY 2 6.520 0.322 -0.729 6 HA3 GLY 2 2HA GLY 2 5.658 0.264 0.816 7 H GLY 3 H GLY 3 6.871 -1.301 1.780 8 HA2 GLY 3 1HA GLY 3 6.506 -4.056 0.747 9 HA3 GLY 3 2HA GLY 3 8.152 -3.485 1.058 10 H GLY 4 H GLY 4 5.064 -4.392 2.492 11 HA2 GLY 4 1HA GLY 4 5.787 -5.495 4.849 12 HA3 GLY 4 2HA GLY 4 5.975 -3.761 5.207 13 H ARG 5 H ARG 5 4.163 -3.430 6.549 14 HA ARG 5 HA ARG 5 1.671 -3.225 5.018 15 HB2 ARG 5 1HB ARG 5 0.282 -4.338 6.646 16 HB3 ARG 5 2HB ARG 5 1.493 -5.454 6.020 17 HG2 ARG 5 1HG ARG 5 2.508 -4.180 8.408 18 HG3 ARG 5 2HG ARG 5 0.895 -4.838 8.721 19 HD2 ARG 5 1HD ARG 5 1.616 -7.029 7.850 20 HD3 ARG 5 2HD ARG 5 3.226 -6.375 7.518 21 HE ARG 5 HE ARG 5 2.102 -7.128 10.113 22 HH11 ARG 5 1HH1 ARG 5 4.695 -5.316 8.519 23 HH12 ARG 5 2HH1 ARG 5 5.710 -5.372 9.946 24 HH21 ARG 5 1HH2 ARG 5 3.430 -7.131 11.866 25 HH22 ARG 5 2HH2 ARG 5 5.012 -6.369 11.798 26 H GLY 6 H GLY 6 0.271 -1.618 5.734 27 HA2 GLY 6 1HA GLY 6 -0.377 -0.465 7.945 28 HA3 GLY 6 2HA GLY 6 1.313 0.037 7.983 29 H TYR 7 H TYR 7 -1.827 0.764 6.873 30 HA TYR 7 HA TYR 7 -2.715 2.493 5.695 31 HB2 TYR 7 1HB TYR 7 -0.401 3.583 6.890 32 HB3 TYR 7 2HB TYR 7 -0.396 4.181 5.241 33 HD1 TYR 7 HD1 TYR 7 -2.144 4.194 8.470 34 HD2 TYR 7 HD2 TYR 7 -2.287 5.607 4.434 35 HE1 TYR 7 HE1 TYR 7 -3.860 5.844 9.105 36 HE2 TYR 7 HE2 TYR 7 -3.985 7.275 5.084 37 HH TYR 7 HH TYR 7 -5.186 7.561 8.429 38 H GLU 8 H GLU 8 -1.245 4.025 3.552 39 HA GLU 8 HA GLU 8 -0.430 3.856 1.437 40 HB2 GLU 8 1HB GLU 8 1.280 2.380 2.556 41 HB3 GLU 8 2HB GLU 8 0.328 0.976 2.114 42 HG2 GLU 8 1HG GLU 8 0.922 2.823 -0.164 43 HG3 GLU 8 2HG GLU 8 2.344 2.104 0.586 44 H TYR 9 H TYR 9 -3.003 2.154 2.482 45 HA TYR 9 HA TYR 9 -4.829 1.175 1.469 46 HB2 TYR 9 1HB TYR 9 -4.040 3.182 -0.325 47 HB3 TYR 9 2HB TYR 9 -4.205 1.760 -1.335 48 HD1 TYR 9 HD1 TYR 9 -6.501 0.353 -0.827 49 HD2 TYR 9 HD2 TYR 9 -5.908 4.509 0.019 50 HE1 TYR 9 HE1 TYR 9 -8.931 0.711 -0.870 51 HE2 TYR 9 HE2 TYR 9 -8.348 4.863 -0.064 52 HH TYR 9 HH TYR 9 -10.630 2.195 -0.706 53 H ASN 10 H ASN 10 -4.884 -0.167 -1.106 54 HA ASN 10 HA ASN 10 -4.573 -2.362 -1.713 55 HB2 ASN 10 1HB ASN 10 -2.715 -0.985 -2.761 56 HB3 ASN 10 2HB ASN 10 -1.631 -1.625 -1.530 57 HD21 ASN 10 1HD2 ASN 10 -0.921 -4.161 -3.873 58 HD22 ASN 10 2HD2 ASN 10 -0.328 -2.853 -2.864 59 H LYS 11 H LYS 11 -1.507 -3.011 -0.345 60 HA LYS 11 HA LYS 11 -2.412 -3.641 2.304 61 HB2 LYS 11 1HB LYS 11 -2.054 -6.073 2.248 62 HB3 LYS 11 2HB LYS 11 -3.481 -5.530 1.387 63 HG2 LYS 11 1HG LYS 11 -0.989 -5.958 -0.211 64 HG3 LYS 11 2HG LYS 11 -1.835 -7.379 0.421 65 HD2 LYS 11 1HD LYS 11 -3.938 -6.586 -0.628 66 HD3 LYS 11 2HD LYS 11 -3.064 -5.203 -1.301 67 HE2 LYS 11 1HE LYS 11 -1.534 -6.801 -2.475 68 HE3 LYS 11 2HE LYS 11 -2.571 -8.133 -1.923 69 HZ1 LYS 11 1HZ LYS 11 -4.441 -7.084 -3.062 70 HZ2 LYS 11 2HZ LYS 11 -3.537 -5.789 -3.495 71 HZ3 LYS 11 3HZ LYS 11 -3.227 -7.263 -4.155 72 H GLN 12 H GLN 12 -0.298 -2.070 1.308 73 HA GLN 12 HA GLN 12 1.920 -3.581 2.596 74 HB2 GLN 12 1HB GLN 12 2.199 -1.583 0.328 75 HB3 GLN 12 2HB GLN 12 3.533 -2.243 1.269 76 HG2 GLN 12 1HG GLN 12 3.651 -3.588 -0.524 77 HG3 GLN 12 2HG GLN 12 2.606 -4.559 0.520 78 HE21 GLN 12 1HE2 GLN 12 0.317 -4.864 -2.095 79 HE22 GLN 12 2HE2 GLN 12 1.247 -5.608 -0.806 80 H CYS 13 H CYS 13 3.736 -1.609 2.963 81 HA CYS 13 HA CYS 13 2.373 0.159 4.919 82 HB2 CYS 13 1HB CYS 13 4.744 0.564 5.675 83 HB3 CYS 13 2HB CYS 13 4.231 -1.131 5.796 84 H LEU 14 H LEU 14 2.946 2.378 5.094 85 HA LEU 14 HA LEU 14 3.677 3.589 2.484 86 HB2 LEU 14 1HB LEU 14 1.639 4.113 4.232 87 HB3 LEU 14 2HB LEU 14 2.815 5.326 4.725 88 HG LEU 14 HG LEU 14 1.756 4.971 1.903 89 HD11 LEU 14 1HD1 LEU 14 1.028 7.003 4.044 90 HD12 LEU 14 2HD1 LEU 14 0.421 6.975 2.373 91 HD13 LEU 14 3HD1 LEU 14 0.004 5.658 3.488 92 HD21 LEU 14 1HD2 LEU 14 3.390 7.212 3.148 93 HD22 LEU 14 2HD2 LEU 14 3.961 6.040 1.935 94 HD23 LEU 14 3HD2 LEU 14 2.697 7.209 1.509 95 H ILE 15 H ILE 15 4.483 3.900 5.972 96 HA ILE 15 HA ILE 15 7.170 4.871 5.120 97 HB ILE 15 HB ILE 15 5.510 6.098 7.359 98 HG12 ILE 15 1HG1 ILE 15 6.503 7.433 4.824 99 HG13 ILE 15 2HG1 ILE 15 4.897 6.719 4.955 100 HG21 ILE 15 1HG2 ILE 15 7.914 6.001 7.902 101 HG22 ILE 15 2HG2 ILE 15 8.308 6.764 6.345 102 HG23 ILE 15 3HG2 ILE 15 7.414 7.668 7.588 103 HD11 ILE 15 1HD1 ILE 15 4.715 9.073 5.324 104 HD12 ILE 15 2HD1 ILE 15 4.388 8.230 6.854 105 HD13 ILE 15 3HD1 ILE 15 5.957 9.030 6.593 106 H PHE 16 H PHE 16 5.231 3.768 7.965 107 HA PHE 16 HA PHE 16 7.762 2.881 9.200 108 HB2 PHE 16 1HB PHE 16 4.954 3.158 10.293 109 HB3 PHE 16 2HB PHE 16 6.306 2.476 11.202 110 HD1 PHE 16 HD1 PHE 16 8.051 3.856 12.105 111 HD2 PHE 16 HD2 PHE 16 4.985 5.558 9.667 112 HE1 PHE 16 HE1 PHE 16 8.826 6.114 12.716 113 HE2 PHE 16 HE2 PHE 16 5.773 7.820 10.246 114 HZ PHE 16 HZ PHE 16 7.695 8.106 11.780 115 H CYS 17 H CYS 17 7.805 1.268 7.349 116 HA CYS 17 HA CYS 17 6.021 -0.923 7.213 117 HB2 CYS 17 1HB CYS 17 9.008 -0.824 6.563 118 HB3 CYS 17 2HB CYS 17 7.886 -2.079 5.999 119 HC CYS 17 HC CYS 17 7.624 -1.354 9.628 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.619 1.121 -2.949 2 HA2 GLY 1 1HA GLY 1 2.541 0.197 -0.350 3 HA3 GLY 1 2HA GLY 1 2.828 -0.548 -1.922 4 H GLY 2 H GLY 2 4.910 -0.906 -0.639 5 HA2 GLY 2 1HA GLY 2 7.028 0.432 -1.787 6 HA3 GLY 2 2HA GLY 2 6.676 1.368 -0.328 7 H GLY 3 H GLY 3 5.795 -0.859 1.281 8 HA2 GLY 3 1HA GLY 3 8.177 -2.628 1.383 9 HA3 GLY 3 2HA GLY 3 7.779 -1.655 2.807 10 H GLY 4 H GLY 4 7.071 -3.152 4.263 11 HA2 GLY 4 1HA GLY 4 5.671 -5.519 3.543 12 HA3 GLY 4 2HA GLY 4 5.838 -4.866 5.170 13 H ARG 5 H ARG 5 4.001 -4.092 6.171 14 HA ARG 5 HA ARG 5 1.633 -3.636 4.429 15 HB2 ARG 5 1HB ARG 5 0.253 -5.025 5.767 16 HB3 ARG 5 2HB ARG 5 1.665 -5.960 5.275 17 HG2 ARG 5 1HG ARG 5 2.665 -5.506 7.545 18 HG3 ARG 5 2HG ARG 5 1.122 -4.756 8.005 19 HD2 ARG 5 1HD ARG 5 -0.029 -6.904 7.395 20 HD3 ARG 5 2HD ARG 5 1.560 -7.614 7.083 21 HE ARG 5 HE ARG 5 1.994 -7.714 9.366 22 HH11 ARG 5 1HH1 ARG 5 -1.061 -5.989 8.874 23 HH12 ARG 5 2HH1 ARG 5 -1.464 -6.078 10.581 24 HH21 ARG 5 1HH2 ARG 5 1.399 -7.793 11.478 25 HH22 ARG 5 2HH2 ARG 5 -0.112 -7.076 12.017 26 H GLY 6 H GLY 6 -0.174 -2.533 5.422 27 HA2 GLY 6 1HA GLY 6 -0.601 -1.700 7.889 28 HA3 GLY 6 2HA GLY 6 0.698 -0.590 7.475 29 H TYR 7 H TYR 7 -0.069 0.018 4.775 30 HA TYR 7 HA TYR 7 -2.806 0.924 4.726 31 HB2 TYR 7 1HB TYR 7 -1.387 2.400 6.419 32 HB3 TYR 7 2HB TYR 7 -0.887 3.234 4.968 33 HD1 TYR 7 HD1 TYR 7 -3.593 2.574 7.317 34 HD2 TYR 7 HD2 TYR 7 -2.705 4.328 3.516 35 HE1 TYR 7 HE1 TYR 7 -5.696 3.853 7.411 36 HE2 TYR 7 HE2 TYR 7 -4.797 5.623 3.630 37 HH TYR 7 HH TYR 7 -7.040 5.371 6.392 38 H GLU 8 H GLU 8 -0.897 3.299 3.350 39 HA GLU 8 HA GLU 8 -0.254 3.855 1.271 40 HB2 GLU 8 1HB GLU 8 1.394 1.935 1.965 41 HB3 GLU 8 2HB GLU 8 0.614 1.002 0.706 42 HG2 GLU 8 1HG GLU 8 1.605 3.829 0.128 43 HG3 GLU 8 2HG GLU 8 2.756 2.506 0.176 44 H TYR 9 H TYR 9 -1.004 0.643 0.106 45 HA TYR 9 HA TYR 9 -2.924 1.891 -1.782 46 HB2 TYR 9 1HB TYR 9 -0.994 -0.031 -2.112 47 HB3 TYR 9 2HB TYR 9 -2.427 -1.037 -1.887 48 HD1 TYR 9 HD1 TYR 9 -0.944 1.673 -3.969 49 HD2 TYR 9 HD2 TYR 9 -4.096 -1.200 -3.629 50 HE1 TYR 9 HE1 TYR 9 -1.505 2.003 -6.347 51 HE2 TYR 9 HE2 TYR 9 -4.653 -0.864 -6.010 52 HH TYR 9 HH TYR 9 -2.845 1.412 -8.078 53 H ASN 10 H ASN 10 -2.709 -0.505 0.777 54 HA ASN 10 HA ASN 10 -5.225 -0.112 1.884 55 HB2 ASN 10 1HB ASN 10 -5.556 -1.540 -0.517 56 HB3 ASN 10 2HB ASN 10 -5.581 -2.785 0.737 57 HD21 ASN 10 1HD2 ASN 10 -8.582 0.004 0.481 58 HD22 ASN 10 2HD2 ASN 10 -7.034 0.274 -0.303 59 H LYS 11 H LYS 11 -2.931 -2.691 0.974 60 HA LYS 11 HA LYS 11 -2.824 -3.508 3.851 61 HB2 LYS 11 1HB LYS 11 -2.671 -5.270 1.384 62 HB3 LYS 11 2HB LYS 11 -2.480 -5.826 3.042 63 HG2 LYS 11 1HG LYS 11 -5.006 -4.612 1.877 64 HG3 LYS 11 2HG LYS 11 -4.694 -6.337 2.063 65 HD2 LYS 11 1HD LYS 11 -4.807 -4.362 4.369 66 HD3 LYS 11 2HD LYS 11 -6.157 -5.362 3.825 67 HE2 LYS 11 1HE LYS 11 -4.829 -7.405 4.265 68 HE3 LYS 11 2HE LYS 11 -3.492 -6.400 4.853 69 HZ1 LYS 11 1HZ LYS 11 -6.235 -6.445 6.013 70 HZ2 LYS 11 2HZ LYS 11 -4.920 -7.146 6.697 71 HZ3 LYS 11 3HZ LYS 11 -5.005 -5.510 6.559 72 H GLN 12 H GLN 12 -1.044 -1.705 2.148 73 HA GLN 12 HA GLN 12 1.475 -3.304 2.366 74 HB2 GLN 12 1HB GLN 12 0.607 -1.315 0.256 75 HB3 GLN 12 2HB GLN 12 2.292 -1.790 0.509 76 HG2 GLN 12 1HG GLN 12 1.545 -3.128 -1.242 77 HG3 GLN 12 2HG GLN 12 1.599 -4.181 0.175 78 HE21 GLN 12 1HE2 GLN 12 -1.589 -5.316 -0.720 79 HE22 GLN 12 2HE2 GLN 12 0.093 -5.692 -0.403 80 H CYS 13 H CYS 13 3.451 -2.023 2.730 81 HA CYS 13 HA CYS 13 2.917 -0.196 4.920 82 HB2 CYS 13 1HB CYS 13 4.876 -1.736 4.865 83 HB3 CYS 13 2HB CYS 13 5.552 -0.770 3.533 84 H LEU 14 H LEU 14 2.862 1.958 5.010 85 HA LEU 14 HA LEU 14 3.425 3.480 2.533 86 HB2 LEU 14 1HB LEU 14 1.360 3.628 4.246 87 HB3 LEU 14 2HB LEU 14 2.417 4.798 5.020 88 HG LEU 14 HG LEU 14 1.484 4.930 2.139 89 HD11 LEU 14 1HD1 LEU 14 -0.378 5.141 3.725 90 HD12 LEU 14 2HD1 LEU 14 0.504 6.410 4.606 91 HD13 LEU 14 3HD1 LEU 14 -0.036 6.692 2.936 92 HD21 LEU 14 1HD2 LEU 14 2.232 7.233 2.158 93 HD22 LEU 14 2HD2 LEU 14 2.794 7.075 3.838 94 HD23 LEU 14 3HD2 LEU 14 3.595 6.161 2.534 95 H ILE 15 H ILE 15 4.265 3.641 6.040 96 HA ILE 15 HA ILE 15 6.866 4.836 5.212 97 HB ILE 15 HB ILE 15 5.169 5.844 7.531 98 HG12 ILE 15 1HG1 ILE 15 5.979 7.373 5.043 99 HG13 ILE 15 2HG1 ILE 15 4.438 6.527 5.181 100 HG21 ILE 15 1HG2 ILE 15 7.589 5.918 8.004 101 HG22 ILE 15 2HG2 ILE 15 7.873 6.770 6.471 102 HG23 ILE 15 3HG2 ILE 15 6.952 7.551 7.775 103 HD11 ILE 15 1HD1 ILE 15 5.368 8.823 6.921 104 HD12 ILE 15 2HD1 ILE 15 4.092 8.844 5.685 105 HD13 ILE 15 3HD1 ILE 15 3.871 7.892 7.170 106 H PHE 16 H PHE 16 5.012 3.262 7.881 107 HA PHE 16 HA PHE 16 7.498 3.358 9.472 108 HB2 PHE 16 1HB PHE 16 4.689 2.611 10.345 109 HB3 PHE 16 2HB PHE 16 6.053 3.040 11.381 110 HD1 PHE 16 HD1 PHE 16 3.142 4.235 9.757 111 HD2 PHE 16 HD2 PHE 16 7.044 5.457 11.006 112 HE1 PHE 16 HE1 PHE 16 2.437 6.592 9.643 113 HE2 PHE 16 HE2 PHE 16 6.352 7.818 10.862 114 HZ PHE 16 HZ PHE 16 4.045 8.393 10.184 115 H CYS 17 H CYS 17 7.868 1.484 7.599 116 HA CYS 17 HA CYS 17 6.549 -0.987 7.970 117 HB2 CYS 17 1HB CYS 17 9.351 -0.739 6.801 118 HB3 CYS 17 2HB CYS 17 8.087 -1.914 6.404 119 HC CYS 17 HC CYS 17 8.199 -0.980 10.200 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.038 0.607 -2.431 2 HA2 GLY 1 1HA GLY 1 3.889 1.918 -0.709 3 HA3 GLY 1 2HA GLY 1 3.090 0.607 0.176 4 H GLY 2 H GLY 2 5.679 0.196 -0.017 5 HA2 GLY 2 1HA GLY 2 5.956 -1.649 -2.350 6 HA3 GLY 2 2HA GLY 2 7.249 -0.573 -1.850 7 H GLY 3 H GLY 3 7.189 -1.014 0.982 8 HA2 GLY 3 1HA GLY 3 8.172 -3.838 0.947 9 HA3 GLY 3 2HA GLY 3 9.060 -2.502 1.675 10 H GLY 4 H GLY 4 6.378 -4.746 2.049 11 HA2 GLY 4 1HA GLY 4 5.940 -5.614 4.251 12 HA3 GLY 4 2HA GLY 4 6.403 -4.061 4.946 13 H ARG 5 H ARG 5 4.488 -3.950 6.164 14 HA ARG 5 HA ARG 5 2.007 -3.532 4.559 15 HB2 ARG 5 1HB ARG 5 2.413 -5.195 7.055 16 HB3 ARG 5 2HB ARG 5 0.832 -4.571 6.590 17 HG2 ARG 5 1HG ARG 5 0.639 -6.533 5.519 18 HG3 ARG 5 2HG ARG 5 1.516 -5.684 4.243 19 HD2 ARG 5 1HD ARG 5 2.868 -7.500 4.340 20 HD3 ARG 5 2HD ARG 5 3.619 -6.607 5.666 21 HE ARG 5 HE ARG 5 2.701 -8.085 7.212 22 HH11 ARG 5 1HH1 ARG 5 1.386 -8.834 4.010 23 HH12 ARG 5 2HH1 ARG 5 0.704 -10.352 4.569 24 HH21 ARG 5 1HH2 ARG 5 1.819 -10.003 7.822 25 HH22 ARG 5 2HH2 ARG 5 0.945 -11.002 6.671 26 H GLY 6 H GLY 6 0.264 -2.454 5.660 27 HA2 GLY 6 1HA GLY 6 0.389 -1.011 8.007 28 HA3 GLY 6 2HA GLY 6 1.199 0.025 6.828 29 H TYR 7 H TYR 7 -0.091 0.414 4.746 30 HA TYR 7 HA TYR 7 -2.991 0.544 5.063 31 HB2 TYR 7 1HB TYR 7 -2.085 2.204 6.732 32 HB3 TYR 7 2HB TYR 7 -1.387 3.095 5.377 33 HD1 TYR 7 HD1 TYR 7 -4.477 2.286 7.184 34 HD2 TYR 7 HD2 TYR 7 -2.872 4.152 3.696 35 HE1 TYR 7 HE1 TYR 7 -6.637 3.411 6.796 36 HE2 TYR 7 HE2 TYR 7 -5.026 5.324 3.331 37 HH TYR 7 HH TYR 7 -7.837 4.813 5.456 38 H GLU 8 H GLU 8 -0.035 1.429 3.388 39 HA GLU 8 HA GLU 8 -1.015 3.159 1.430 40 HB2 GLU 8 1HB GLU 8 1.397 2.560 2.001 41 HB3 GLU 8 2HB GLU 8 1.207 1.093 1.061 42 HG2 GLU 8 1HG GLU 8 0.549 3.764 -0.221 43 HG3 GLU 8 2HG GLU 8 2.239 3.329 -0.009 44 H TYR 9 H TYR 9 -2.230 3.096 -0.160 45 HA TYR 9 HA TYR 9 -3.759 2.463 -1.673 46 HB2 TYR 9 1HB TYR 9 -1.790 1.366 -2.764 47 HB3 TYR 9 2HB TYR 9 -2.271 -0.153 -2.003 48 HD1 TYR 9 HD1 TYR 9 -3.448 2.543 -4.311 49 HD2 TYR 9 HD2 TYR 9 -3.952 -1.505 -3.028 50 HE1 TYR 9 HE1 TYR 9 -5.038 2.155 -6.157 51 HE2 TYR 9 HE2 TYR 9 -5.534 -1.892 -4.884 52 HH TYR 9 HH TYR 9 -6.584 -1.011 -6.696 53 H ASN 10 H ASN 10 -2.970 -0.344 0.335 54 HA ASN 10 HA ASN 10 -5.800 -0.572 1.142 55 HB2 ASN 10 1HB ASN 10 -4.573 -2.278 -0.863 56 HB3 ASN 10 2HB ASN 10 -4.987 -3.237 0.567 57 HD21 ASN 10 1HD2 ASN 10 -7.867 -1.962 -1.965 58 HD22 ASN 10 2HD2 ASN 10 -6.186 -1.513 -2.187 59 H LYS 11 H LYS 11 -2.692 -2.371 1.225 60 HA LYS 11 HA LYS 11 -2.732 -2.236 4.189 61 HB2 LYS 11 1HB LYS 11 -2.577 -4.798 2.565 62 HB3 LYS 11 2HB LYS 11 -2.273 -4.694 4.296 63 HG2 LYS 11 1HG LYS 11 -4.925 -4.026 2.985 64 HG3 LYS 11 2HG LYS 11 -4.506 -5.584 3.710 65 HD2 LYS 11 1HD LYS 11 -4.132 -4.462 5.892 66 HD3 LYS 11 2HD LYS 11 -4.634 -2.922 5.167 67 HE2 LYS 11 1HE LYS 11 -6.831 -3.903 4.610 68 HE3 LYS 11 2HE LYS 11 -6.343 -5.428 5.375 69 HZ1 LYS 11 1HZ LYS 11 -7.561 -3.995 6.943 70 HZ2 LYS 11 2HZ LYS 11 -6.014 -4.188 7.465 71 HZ3 LYS 11 3HZ LYS 11 -6.474 -2.785 6.743 72 H GLN 12 H GLN 12 -0.873 -1.467 1.673 73 HA GLN 12 HA GLN 12 1.533 -3.006 2.402 74 HB2 GLN 12 1HB GLN 12 0.989 -0.866 0.329 75 HB3 GLN 12 2HB GLN 12 2.572 -1.615 0.582 76 HG2 GLN 12 1HG GLN 12 1.665 -3.803 0.031 77 HG3 GLN 12 2HG GLN 12 0.050 -3.099 -0.165 78 HE21 GLN 12 1HE2 GLN 12 2.481 -3.234 -3.307 79 HE22 GLN 12 2HE2 GLN 12 2.594 -4.245 -1.878 80 H CYS 13 H CYS 13 3.653 -1.745 2.623 81 HA CYS 13 HA CYS 13 3.439 -0.096 4.962 82 HB2 CYS 13 1HB CYS 13 5.517 -1.312 4.485 83 HB3 CYS 13 2HB CYS 13 5.755 -0.356 3.007 84 H LEU 14 H LEU 14 2.887 1.963 5.192 85 HA LEU 14 HA LEU 14 3.021 3.747 2.830 86 HB2 LEU 14 1HB LEU 14 0.935 3.567 4.201 87 HB3 LEU 14 2HB LEU 14 1.818 4.227 5.571 88 HG LEU 14 HG LEU 14 2.141 6.345 4.342 89 HD11 LEU 14 1HD1 LEU 14 0.789 6.777 2.310 90 HD12 LEU 14 2HD1 LEU 14 2.056 5.570 2.023 91 HD13 LEU 14 3HD1 LEU 14 0.364 5.052 2.236 92 HD21 LEU 14 1HD2 LEU 14 -0.194 7.070 4.527 93 HD22 LEU 14 2HD2 LEU 14 -0.739 5.378 4.494 94 HD23 LEU 14 3HD2 LEU 14 0.229 5.979 5.863 95 H ILE 15 H ILE 15 4.155 3.625 6.239 96 HA ILE 15 HA ILE 15 6.517 5.161 5.387 97 HB ILE 15 HB ILE 15 4.847 6.075 7.768 98 HG12 ILE 15 1HG1 ILE 15 5.474 7.602 5.221 99 HG13 ILE 15 2HG1 ILE 15 3.959 6.741 5.498 100 HG21 ILE 15 1HG2 ILE 15 7.459 7.148 6.617 101 HG22 ILE 15 2HG2 ILE 15 6.554 7.852 7.977 102 HG23 ILE 15 3HG2 ILE 15 7.285 6.251 8.142 103 HD11 ILE 15 1HD1 ILE 15 3.587 9.043 5.958 104 HD12 ILE 15 2HD1 ILE 15 3.547 8.161 7.501 105 HD13 ILE 15 3HD1 ILE 15 4.981 9.121 7.056 106 H PHE 16 H PHE 16 4.876 3.751 8.290 107 HA PHE 16 HA PHE 16 7.570 3.048 9.305 108 HB2 PHE 16 1HB PHE 16 4.856 3.079 10.653 109 HB3 PHE 16 2HB PHE 16 6.353 2.543 11.421 110 HD1 PHE 16 HD1 PHE 16 8.020 4.108 12.170 111 HD2 PHE 16 HD2 PHE 16 4.564 5.462 10.059 112 HE1 PHE 16 HE1 PHE 16 8.554 6.433 12.797 113 HE2 PHE 16 HE2 PHE 16 5.117 7.793 10.635 114 HZ PHE 16 HZ PHE 16 7.108 8.286 12.023 115 H CYS 17 H CYS 17 7.842 1.323 7.709 116 HA CYS 17 HA CYS 17 5.941 -0.709 7.301 117 HB2 CYS 17 1HB CYS 17 8.949 -1.138 7.033 118 HB3 CYS 17 2HB CYS 17 7.645 -1.912 6.120 119 HC CYS 17 HC CYS 17 6.827 -1.346 9.881 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.381 0.985 -2.086 2 HA2 GLY 1 1HA GLY 1 4.225 1.936 -0.220 3 HA3 GLY 1 2HA GLY 1 3.147 0.836 0.668 4 H GLY 2 H GLY 2 5.877 0.135 0.331 5 HA2 GLY 2 1HA GLY 2 5.539 -2.287 -1.281 6 HA3 GLY 2 2HA GLY 2 6.685 -1.127 -1.934 7 H GLY 3 H GLY 3 6.335 -1.715 1.549 8 HA2 GLY 3 1HA GLY 3 8.589 -3.585 1.573 9 HA3 GLY 3 2HA GLY 3 8.964 -1.967 2.178 10 H GLY 4 H GLY 4 5.855 -3.642 2.532 11 HA2 GLY 4 1HA GLY 4 5.921 -4.887 4.924 12 HA3 GLY 4 2HA GLY 4 5.985 -3.186 5.427 13 H ARG 5 H ARG 5 3.879 -3.874 6.471 14 HA ARG 5 HA ARG 5 1.635 -3.721 4.506 15 HB2 ARG 5 1HB ARG 5 0.352 -5.157 5.912 16 HB3 ARG 5 2HB ARG 5 1.911 -5.928 5.615 17 HG2 ARG 5 1HG ARG 5 2.682 -5.116 7.858 18 HG3 ARG 5 2HG ARG 5 1.044 -4.498 8.147 19 HD2 ARG 5 1HD ARG 5 0.166 -6.812 7.765 20 HD3 ARG 5 2HD ARG 5 1.835 -7.387 7.637 21 HE ARG 5 HE ARG 5 0.393 -6.592 10.058 22 HH11 ARG 5 1HH1 ARG 5 3.594 -7.276 8.702 23 HH12 ARG 5 2HH1 ARG 5 4.299 -7.481 10.297 24 HH21 ARG 5 1HH2 ARG 5 1.348 -6.929 12.009 25 HH22 ARG 5 2HH2 ARG 5 3.056 -7.319 12.120 26 H GLY 6 H GLY 6 -0.445 -2.920 5.479 27 HA2 GLY 6 1HA GLY 6 -1.009 -1.754 7.773 28 HA3 GLY 6 2HA GLY 6 0.125 -0.552 7.167 29 H TYR 7 H TYR 7 -0.420 0.479 5.049 30 HA TYR 7 HA TYR 7 -3.307 0.622 4.483 31 HB2 TYR 7 1HB TYR 7 -2.586 2.153 6.464 32 HB3 TYR 7 2HB TYR 7 -1.874 3.178 5.234 33 HD1 TYR 7 HD1 TYR 7 -4.948 1.972 6.787 34 HD2 TYR 7 HD2 TYR 7 -3.418 4.208 3.475 35 HE1 TYR 7 HE1 TYR 7 -7.168 2.985 6.439 36 HE2 TYR 7 HE2 TYR 7 -5.634 5.232 3.147 37 HH TYR 7 HH TYR 7 -8.419 4.442 5.228 38 H GLU 8 H GLU 8 -1.457 3.374 3.630 39 HA GLU 8 HA GLU 8 -0.557 4.178 1.736 40 HB2 GLU 8 1HB GLU 8 1.105 2.312 2.324 41 HB3 GLU 8 2HB GLU 8 0.364 1.363 1.046 42 HG2 GLU 8 1HG GLU 8 1.060 4.122 0.189 43 HG3 GLU 8 2HG GLU 8 2.457 3.213 0.744 44 H TYR 9 H TYR 9 -1.610 1.029 0.527 45 HA TYR 9 HA TYR 9 -3.574 2.407 -1.237 46 HB2 TYR 9 1HB TYR 9 -1.707 2.113 -2.705 47 HB3 TYR 9 2HB TYR 9 -1.391 0.489 -2.104 48 HD1 TYR 9 HD1 TYR 9 -2.125 -1.325 -3.363 49 HD2 TYR 9 HD2 TYR 9 -4.124 2.428 -3.822 50 HE1 TYR 9 HE1 TYR 9 -3.565 -2.305 -5.110 51 HE2 TYR 9 HE2 TYR 9 -5.559 1.444 -5.572 52 HH TYR 9 HH TYR 9 -6.100 -0.416 -6.757 53 H ASN 10 H ASN 10 -2.270 -0.885 -0.600 54 HA ASN 10 HA ASN 10 -4.927 -1.656 0.477 55 HB2 ASN 10 1HB ASN 10 -4.818 -2.197 -1.983 56 HB3 ASN 10 2HB ASN 10 -3.471 -3.291 -1.630 57 HD21 ASN 10 1HD2 ASN 10 -5.478 -5.872 -0.346 58 HD22 ASN 10 2HD2 ASN 10 -3.856 -5.204 -0.444 59 H LYS 11 H LYS 11 -3.882 -1.603 2.482 60 HA LYS 11 HA LYS 11 -2.697 -2.409 4.261 61 HB2 LYS 11 1HB LYS 11 -2.907 -5.051 2.783 62 HB3 LYS 11 2HB LYS 11 -2.435 -4.830 4.469 63 HG2 LYS 11 1HG LYS 11 -4.750 -3.597 4.663 64 HG3 LYS 11 2HG LYS 11 -5.145 -4.547 3.219 65 HD2 LYS 11 1HD LYS 11 -4.084 -5.658 5.847 66 HD3 LYS 11 2HD LYS 11 -5.785 -5.649 5.363 67 HE2 LYS 11 1HE LYS 11 -5.245 -7.081 3.423 68 HE3 LYS 11 2HE LYS 11 -3.536 -7.079 3.893 69 HZ1 LYS 11 1HZ LYS 11 -5.765 -8.111 5.579 70 HZ2 LYS 11 2HZ LYS 11 -4.689 -9.045 4.768 71 HZ3 LYS 11 3HZ LYS 11 -4.182 -8.107 6.016 72 H GLN 12 H GLN 12 -1.079 -1.149 2.420 73 HA GLN 12 HA GLN 12 1.441 -2.763 2.590 74 HB2 GLN 12 1HB GLN 12 0.572 -0.662 0.584 75 HB3 GLN 12 2HB GLN 12 2.243 -1.224 0.751 76 HG2 GLN 12 1HG GLN 12 1.655 -3.447 0.112 77 HG3 GLN 12 2HG GLN 12 -0.073 -3.069 0.180 78 HE21 GLN 12 1HE2 GLN 12 1.564 -2.844 -3.341 79 HE22 GLN 12 2HE2 GLN 12 1.907 -3.963 -2.035 80 H CYS 13 H CYS 13 3.374 -1.489 3.106 81 HA CYS 13 HA CYS 13 2.793 0.140 5.385 82 HB2 CYS 13 1HB CYS 13 5.189 0.526 5.527 83 HB3 CYS 13 2HB CYS 13 4.855 -1.174 5.195 84 H LEU 14 H LEU 14 2.472 2.232 5.679 85 HA LEU 14 HA LEU 14 2.885 4.073 3.380 86 HB2 LEU 14 1HB LEU 14 0.691 4.023 4.533 87 HB3 LEU 14 2HB LEU 14 1.482 4.458 6.045 88 HG LEU 14 HG LEU 14 2.115 6.642 5.108 89 HD11 LEU 14 1HD1 LEU 14 2.230 6.114 2.714 90 HD12 LEU 14 2HD1 LEU 14 0.480 5.781 2.690 91 HD13 LEU 14 3HD1 LEU 14 1.074 7.425 3.009 92 HD21 LEU 14 1HD2 LEU 14 0.022 6.312 6.367 93 HD22 LEU 14 2HD2 LEU 14 -0.158 7.568 5.126 94 HD23 LEU 14 3HD2 LEU 14 -0.835 5.949 4.849 95 H ILE 15 H ILE 15 3.805 3.551 6.770 96 HA ILE 15 HA ILE 15 6.024 5.521 6.389 97 HB ILE 15 HB ILE 15 4.468 4.957 8.947 98 HG12 ILE 15 1HG1 ILE 15 4.678 7.567 7.417 99 HG13 ILE 15 2HG1 ILE 15 3.365 6.418 7.159 100 HG21 ILE 15 1HG2 ILE 15 6.852 5.350 9.397 101 HG22 ILE 15 2HG2 ILE 15 6.807 6.836 8.423 102 HG23 ILE 15 3HG2 ILE 15 5.886 6.729 9.942 103 HD11 ILE 15 1HD1 ILE 15 2.592 8.118 8.643 104 HD12 ILE 15 2HD1 ILE 15 2.755 6.606 9.563 105 HD13 ILE 15 3HD1 ILE 15 3.979 7.889 9.730 106 H PHE 16 H PHE 16 4.919 2.596 8.165 107 HA PHE 16 HA PHE 16 7.700 2.072 8.959 108 HB2 PHE 16 1HB PHE 16 5.094 0.681 9.629 109 HB3 PHE 16 2HB PHE 16 6.678 0.166 10.215 110 HD1 PHE 16 HD1 PHE 16 7.798 1.320 11.987 111 HD2 PHE 16 HD2 PHE 16 4.172 2.881 10.356 112 HE1 PHE 16 HE1 PHE 16 7.689 2.968 13.818 113 HE2 PHE 16 HE2 PHE 16 4.081 4.564 12.152 114 HZ PHE 16 HZ PHE 16 5.836 4.607 13.898 115 H CYS 17 H CYS 17 8.473 1.749 6.786 116 HA CYS 17 HA CYS 17 7.638 -0.787 5.491 117 HB2 CYS 17 1HB CYS 17 9.436 1.487 4.534 118 HB3 CYS 17 2HB CYS 17 9.090 0.024 3.596 119 HC CYS 17 HC CYS 17 9.579 -1.931 6.365 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.931 0.146 -1.377 2 HA2 GLY 1 1HA GLY 1 4.060 2.347 0.050 3 HA3 GLY 1 2HA GLY 1 3.919 0.941 1.113 4 H GLY 2 H GLY 2 4.452 -1.139 -0.753 5 HA2 GLY 2 1HA GLY 2 6.156 -1.572 -2.458 6 HA3 GLY 2 2HA GLY 2 7.217 -0.441 -1.633 7 H GLY 3 H GLY 3 6.609 -1.555 1.079 8 HA2 GLY 3 1HA GLY 3 7.408 -4.330 1.023 9 HA3 GLY 3 2HA GLY 3 8.791 -3.264 1.276 10 H GLY 4 H GLY 4 5.605 -4.190 2.546 11 HA2 GLY 4 1HA GLY 4 6.050 -4.630 5.141 12 HA3 GLY 4 2HA GLY 4 6.161 -2.858 5.114 13 H ARG 5 H ARG 5 4.218 -3.300 6.647 14 HA ARG 5 HA ARG 5 1.755 -3.096 5.002 15 HB2 ARG 5 1HB ARG 5 2.240 -5.056 7.253 16 HB3 ARG 5 2HB ARG 5 0.628 -4.432 6.913 17 HG2 ARG 5 1HG ARG 5 0.484 -6.250 5.600 18 HG3 ARG 5 2HG ARG 5 1.256 -5.180 4.424 19 HD2 ARG 5 1HD ARG 5 3.482 -6.102 5.168 20 HD3 ARG 5 2HD ARG 5 2.605 -7.282 6.152 21 HE ARG 5 HE ARG 5 2.904 -7.225 3.240 22 HH11 ARG 5 1HH1 ARG 5 1.038 -8.632 5.903 23 HH12 ARG 5 2HH1 ARG 5 0.476 -9.956 4.897 24 HH21 ARG 5 1HH2 ARG 5 2.166 -8.923 2.065 25 HH22 ARG 5 2HH2 ARG 5 1.101 -10.122 2.782 26 H GLY 6 H GLY 6 0.041 -1.992 5.920 27 HA2 GLY 6 1HA GLY 6 -0.672 -0.876 8.132 28 HA3 GLY 6 2HA GLY 6 0.914 -0.097 8.047 29 H TYR 7 H TYR 7 -2.233 -0.409 6.484 30 HA TYR 7 HA TYR 7 -3.487 1.019 5.289 31 HB2 TYR 7 1HB TYR 7 -2.161 2.649 7.007 32 HB3 TYR 7 2HB TYR 7 -1.778 3.418 5.479 33 HD1 TYR 7 HD1 TYR 7 -4.315 2.806 7.981 34 HD2 TYR 7 HD2 TYR 7 -3.745 4.058 3.929 35 HE1 TYR 7 HE1 TYR 7 -6.559 3.824 7.976 36 HE2 TYR 7 HE2 TYR 7 -5.976 5.107 3.945 37 HH TYR 7 HH TYR 7 -8.096 5.018 6.813 38 H GLU 8 H GLU 8 -1.355 3.253 3.904 39 HA GLU 8 HA GLU 8 -0.747 3.570 1.733 40 HB2 GLU 8 1HB GLU 8 0.767 1.524 2.629 41 HB3 GLU 8 2HB GLU 8 -0.083 0.653 1.367 42 HG2 GLU 8 1HG GLU 8 0.777 3.128 0.189 43 HG3 GLU 8 2HG GLU 8 2.127 2.568 1.163 44 H TYR 9 H TYR 9 -0.802 1.901 -0.526 45 HA TYR 9 HA TYR 9 -3.489 2.457 -1.382 46 HB2 TYR 9 1HB TYR 9 -1.321 2.526 -2.715 47 HB3 TYR 9 2HB TYR 9 -1.362 0.766 -2.743 48 HD1 TYR 9 HD1 TYR 9 -3.090 3.836 -3.923 49 HD2 TYR 9 HD2 TYR 9 -2.836 -0.423 -4.240 50 HE1 TYR 9 HE1 TYR 9 -4.405 3.909 -6.007 51 HE2 TYR 9 HE2 TYR 9 -4.156 -0.343 -6.324 52 HH TYR 9 HH TYR 9 -5.299 2.729 -7.729 53 H ASN 10 H ASN 10 -1.742 -0.551 -0.613 54 HA ASN 10 HA ASN 10 -4.363 -1.954 -0.553 55 HB2 ASN 10 1HB ASN 10 -3.089 -2.225 -2.775 56 HB3 ASN 10 2HB ASN 10 -1.946 -3.222 -1.859 57 HD21 ASN 10 1HD2 ASN 10 -5.517 -4.685 -3.078 58 HD22 ASN 10 2HD2 ASN 10 -4.990 -3.052 -3.437 59 H LYS 11 H LYS 11 -3.583 -1.256 1.715 60 HA LYS 11 HA LYS 11 -3.050 -1.901 3.814 61 HB2 LYS 11 1HB LYS 11 -3.012 -4.715 2.685 62 HB3 LYS 11 2HB LYS 11 -3.143 -4.278 4.386 63 HG2 LYS 11 1HG LYS 11 -5.193 -3.640 2.239 64 HG3 LYS 11 2HG LYS 11 -5.295 -4.959 3.412 65 HD2 LYS 11 1HD LYS 11 -5.258 -3.288 5.258 66 HD3 LYS 11 2HD LYS 11 -5.280 -1.986 4.054 67 HE2 LYS 11 1HE LYS 11 -7.408 -4.136 4.311 68 HE3 LYS 11 2HE LYS 11 -7.519 -2.522 5.028 69 HZ1 LYS 11 1HZ LYS 11 -7.208 -3.061 2.118 70 HZ2 LYS 11 2HZ LYS 11 -8.611 -2.606 2.840 71 HZ3 LYS 11 3HZ LYS 11 -7.336 -1.571 2.792 72 H GLN 12 H GLN 12 -0.881 -1.640 1.651 73 HA GLN 12 HA GLN 12 1.382 -3.052 2.897 74 HB2 GLN 12 1HB GLN 12 1.119 -1.078 0.616 75 HB3 GLN 12 2HB GLN 12 2.683 -1.679 1.187 76 HG2 GLN 12 1HG GLN 12 2.057 -3.958 0.652 77 HG3 GLN 12 2HG GLN 12 0.443 -3.420 0.155 78 HE21 GLN 12 1HE2 GLN 12 1.735 -3.407 -3.121 79 HE22 GLN 12 2HE2 GLN 12 0.676 -4.197 -1.968 80 H CYS 13 H CYS 13 3.383 -1.245 2.904 81 HA CYS 13 HA CYS 13 2.888 0.172 5.370 82 HB2 CYS 13 1HB CYS 13 5.304 0.989 4.760 83 HB3 CYS 13 2HB CYS 13 5.022 -0.695 5.229 84 H LEU 14 H LEU 14 1.587 2.034 5.243 85 HA LEU 14 HA LEU 14 2.383 4.222 3.509 86 HB2 LEU 14 1HB LEU 14 0.156 3.962 4.627 87 HB3 LEU 14 2HB LEU 14 0.930 4.282 6.173 88 HG LEU 14 HG LEU 14 1.499 6.564 5.417 89 HD11 LEU 14 1HD1 LEU 14 1.647 6.261 3.004 90 HD12 LEU 14 2HD1 LEU 14 -0.065 5.775 2.923 91 HD13 LEU 14 3HD1 LEU 14 0.375 7.440 3.364 92 HD21 LEU 14 1HD2 LEU 14 -0.801 7.410 5.508 93 HD22 LEU 14 2HD2 LEU 14 -1.429 5.805 5.073 94 HD23 LEU 14 3HD2 LEU 14 -0.599 6.049 6.631 95 H ILE 15 H ILE 15 3.236 3.128 6.766 96 HA ILE 15 HA ILE 15 5.342 5.256 6.854 97 HB ILE 15 HB ILE 15 3.911 3.984 9.225 98 HG12 ILE 15 1HG1 ILE 15 3.716 6.866 8.304 99 HG13 ILE 15 2HG1 ILE 15 2.546 5.634 7.826 100 HG21 ILE 15 1HG2 ILE 15 5.139 5.667 10.560 101 HG22 ILE 15 2HG2 ILE 15 6.255 4.602 9.696 102 HG23 ILE 15 3HG2 ILE 15 5.952 6.245 9.088 103 HD11 ILE 15 1HD1 ILE 15 1.651 6.842 9.686 104 HD12 ILE 15 2HD1 ILE 15 2.056 5.195 10.223 105 HD13 ILE 15 3HD1 ILE 15 3.116 6.556 10.651 106 H PHE 16 H PHE 16 4.473 1.924 7.877 107 HA PHE 16 HA PHE 16 7.228 1.574 8.866 108 HB2 PHE 16 1HB PHE 16 4.875 -0.327 9.080 109 HB3 PHE 16 2HB PHE 16 6.356 -0.333 10.043 110 HD1 PHE 16 HD1 PHE 16 2.976 0.589 10.003 111 HD2 PHE 16 HD2 PHE 16 6.785 1.990 11.347 112 HE1 PHE 16 HE1 PHE 16 1.856 2.115 11.581 113 HE2 PHE 16 HE2 PHE 16 5.668 3.545 12.897 114 HZ PHE 16 HZ PHE 16 3.200 3.610 13.023 115 H CYS 17 H CYS 17 8.218 1.552 6.767 116 HA CYS 17 HA CYS 17 7.445 -0.733 5.007 117 HB2 CYS 17 1HB CYS 17 7.179 1.911 4.438 118 HB3 CYS 17 2HB CYS 17 8.855 1.685 3.919 119 HC CYS 17 HC CYS 17 9.727 -1.475 4.830 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.031 0.527 -2.817 2 HA2 GLY 1 1HA GLY 1 3.583 2.167 -3.243 3 HA3 GLY 1 2HA GLY 1 2.987 3.101 -1.878 4 H GLY 2 H GLY 2 4.130 -0.253 -1.452 5 HA2 GLY 2 1HA GLY 2 6.845 0.396 -0.910 6 HA3 GLY 2 2HA GLY 2 5.915 0.496 0.587 7 H GLY 3 H GLY 3 6.613 -1.231 1.692 8 HA2 GLY 3 1HA GLY 3 5.881 -3.882 0.661 9 HA3 GLY 3 2HA GLY 3 7.609 -3.624 0.970 10 H GLY 4 H GLY 4 5.256 -5.223 2.279 11 HA2 GLY 4 1HA GLY 4 5.264 -5.945 4.606 12 HA3 GLY 4 2HA GLY 4 5.757 -4.301 5.079 13 H ARG 5 H ARG 5 3.912 -3.849 6.402 14 HA ARG 5 HA ARG 5 1.512 -3.241 4.804 15 HB2 ARG 5 1HB ARG 5 -0.020 -4.277 6.356 16 HB3 ARG 5 2HB ARG 5 1.076 -5.473 5.678 17 HG2 ARG 5 1HG ARG 5 2.077 -4.383 8.204 18 HG3 ARG 5 2HG ARG 5 0.464 -5.086 8.371 19 HD2 ARG 5 1HD ARG 5 2.821 -6.501 7.085 20 HD3 ARG 5 2HD ARG 5 2.360 -6.678 8.787 21 HE ARG 5 HE ARG 5 0.071 -7.221 7.238 22 HH11 ARG 5 1HH1 ARG 5 3.245 -8.684 7.790 23 HH12 ARG 5 2HH1 ARG 5 2.656 -10.289 7.391 24 HH21 ARG 5 1HH2 ARG 5 -0.590 -9.274 6.773 25 HH22 ARG 5 2HH2 ARG 5 0.533 -10.622 6.864 26 H GLY 6 H GLY 6 0.215 -1.609 5.578 27 HA2 GLY 6 1HA GLY 6 -0.193 -0.327 7.829 28 HA3 GLY 6 2HA GLY 6 1.515 0.091 7.633 29 H TYR 7 H TYR 7 -1.738 0.610 6.499 30 HA TYR 7 HA TYR 7 -2.697 2.256 5.277 31 HB2 TYR 7 1HB TYR 7 -0.624 3.523 6.539 32 HB3 TYR 7 2HB TYR 7 -0.315 3.958 4.872 33 HD1 TYR 7 HD1 TYR 7 -2.541 4.334 7.747 34 HD2 TYR 7 HD2 TYR 7 -2.083 5.243 3.591 35 HE1 TYR 7 HE1 TYR 7 -4.329 6.022 7.914 36 HE2 TYR 7 HE2 TYR 7 -3.854 6.946 3.772 37 HH TYR 7 HH TYR 7 -5.351 7.998 5.133 38 H GLU 8 H GLU 8 -0.920 3.791 3.207 39 HA GLU 8 HA GLU 8 -0.218 3.644 1.080 40 HB2 GLU 8 1HB GLU 8 1.226 1.763 2.282 41 HB3 GLU 8 2HB GLU 8 0.276 0.666 1.298 42 HG2 GLU 8 1HG GLU 8 1.432 3.036 -0.153 43 HG3 GLU 8 2HG GLU 8 2.610 1.903 0.499 44 H TYR 9 H TYR 9 -2.915 2.085 2.026 45 HA TYR 9 HA TYR 9 -4.609 0.865 1.080 46 HB2 TYR 9 1HB TYR 9 -3.556 1.719 -1.636 47 HB3 TYR 9 2HB TYR 9 -5.128 1.012 -1.282 48 HD1 TYR 9 HD1 TYR 9 -6.848 2.338 -0.023 49 HD2 TYR 9 HD2 TYR 9 -3.162 4.082 -1.316 50 HE1 TYR 9 HE1 TYR 9 -7.816 4.591 0.242 51 HE2 TYR 9 HE2 TYR 9 -4.136 6.332 -1.049 52 HH TYR 9 HH TYR 9 -7.497 6.831 0.030 53 H ASN 10 H ASN 10 -4.856 -1.027 -0.713 54 HA ASN 10 HA ASN 10 -4.181 -3.113 -1.374 55 HB2 ASN 10 1HB ASN 10 -2.687 -1.480 -2.711 56 HB3 ASN 10 2HB ASN 10 -1.389 -1.986 -1.621 57 HD21 ASN 10 1HD2 ASN 10 -0.677 -4.504 -3.948 58 HD22 ASN 10 2HD2 ASN 10 -0.144 -3.056 -3.110 59 H LYS 11 H LYS 11 -3.787 -2.337 1.527 60 HA LYS 11 HA LYS 11 -2.970 -3.223 3.473 61 HB2 LYS 11 1HB LYS 11 -2.542 -5.719 1.796 62 HB3 LYS 11 2HB LYS 11 -2.585 -5.650 3.553 63 HG2 LYS 11 1HG LYS 11 -4.936 -5.000 1.745 64 HG3 LYS 11 2HG LYS 11 -4.643 -6.557 2.533 65 HD2 LYS 11 1HD LYS 11 -4.721 -5.424 4.749 66 HD3 LYS 11 2HD LYS 11 -5.137 -3.906 3.928 67 HE2 LYS 11 1HE LYS 11 -7.145 -4.991 2.967 68 HE3 LYS 11 2HE LYS 11 -6.731 -6.491 3.810 69 HZ1 LYS 11 1HZ LYS 11 -7.295 -3.888 5.149 70 HZ2 LYS 11 2HZ LYS 11 -8.324 -5.166 5.101 71 HZ3 LYS 11 3HZ LYS 11 -6.912 -5.287 5.925 72 H GLN 12 H GLN 12 -1.043 -1.938 1.581 73 HA GLN 12 HA GLN 12 1.441 -3.424 2.247 74 HB2 GLN 12 1HB GLN 12 0.470 -2.059 -0.056 75 HB3 GLN 12 2HB GLN 12 1.848 -1.134 0.545 76 HG2 GLN 12 1HG GLN 12 3.271 -3.102 0.425 77 HG3 GLN 12 2HG GLN 12 1.887 -4.106 -0.045 78 HE21 GLN 12 1HE2 GLN 12 2.529 -3.579 -3.419 79 HE22 GLN 12 2HE2 GLN 12 1.976 -4.631 -2.129 80 H CYS 13 H CYS 13 3.405 -1.824 2.490 81 HA CYS 13 HA CYS 13 2.731 -0.109 4.806 82 HB2 CYS 13 1HB CYS 13 4.559 -1.738 5.042 83 HB3 CYS 13 2HB CYS 13 5.364 -1.044 3.625 84 H LEU 14 H LEU 14 2.623 2.020 4.741 85 HA LEU 14 HA LEU 14 4.085 3.477 2.596 86 HB2 LEU 14 1HB LEU 14 1.623 3.839 2.991 87 HB3 LEU 14 2HB LEU 14 2.023 4.474 4.579 88 HG LEU 14 HG LEU 14 3.321 6.306 3.453 89 HD11 LEU 14 1HD1 LEU 14 2.814 6.744 1.063 90 HD12 LEU 14 2HD1 LEU 14 3.752 5.254 1.283 91 HD13 LEU 14 3HD1 LEU 14 2.005 5.163 0.956 92 HD21 LEU 14 1HD2 LEU 14 1.019 6.586 4.284 93 HD22 LEU 14 2HD2 LEU 14 1.294 7.544 2.815 94 HD23 LEU 14 3HD2 LEU 14 0.380 6.021 2.721 95 H ILE 15 H ILE 15 3.778 3.246 6.148 96 HA ILE 15 HA ILE 15 5.993 5.237 6.398 97 HB ILE 15 HB ILE 15 3.496 4.995 8.122 98 HG12 ILE 15 1HG1 ILE 15 2.995 6.044 5.975 99 HG13 ILE 15 2HG1 ILE 15 2.854 7.172 7.312 100 HG21 ILE 15 1HG2 ILE 15 5.832 6.928 8.332 101 HG22 ILE 15 2HG2 ILE 15 4.311 7.056 9.240 102 HG23 ILE 15 3HG2 ILE 15 5.375 5.665 9.499 103 HD11 ILE 15 1HD1 ILE 15 4.954 8.247 6.703 104 HD12 ILE 15 2HD1 ILE 15 5.214 7.060 5.406 105 HD13 ILE 15 3HD1 ILE 15 3.852 8.195 5.313 106 H PHE 16 H PHE 16 7.709 4.246 7.221 107 HA PHE 16 HA PHE 16 9.047 3.165 8.723 108 HB2 PHE 16 1HB PHE 16 6.816 4.221 10.425 109 HB3 PHE 16 2HB PHE 16 8.064 3.211 11.151 110 HD1 PHE 16 HD1 PHE 16 10.077 4.118 11.853 111 HD2 PHE 16 HD2 PHE 16 7.715 6.269 9.016 112 HE1 PHE 16 HE1 PHE 16 11.583 6.057 12.068 113 HE2 PHE 16 HE2 PHE 16 9.194 8.214 9.243 114 HZ PHE 16 HZ PHE 16 11.132 8.124 10.780 115 H CYS 17 H CYS 17 7.966 1.319 7.212 116 HA CYS 17 HA CYS 17 6.276 -0.617 8.072 117 HB2 CYS 17 1HB CYS 17 8.978 -1.344 6.862 118 HB3 CYS 17 2HB CYS 17 7.416 -2.153 6.630 119 HC CYS 17 HC CYS 17 7.882 -0.813 10.287 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.103 2.105 -2.761 2 HA2 GLY 1 1HA GLY 1 1.925 0.132 -0.985 3 HA3 GLY 1 2HA GLY 1 2.393 0.255 -2.665 4 H GLY 2 H GLY 2 3.975 -0.952 -0.766 5 HA2 GLY 2 1HA GLY 2 6.415 0.605 -0.975 6 HA3 GLY 2 2HA GLY 2 5.789 0.506 0.680 7 H GLY 3 H GLY 3 7.075 -0.870 1.711 8 HA2 GLY 3 1HA GLY 3 7.743 -3.455 0.359 9 HA3 GLY 3 2HA GLY 3 8.905 -2.520 1.300 10 H GLY 4 H GLY 4 5.578 -3.833 1.779 11 HA2 GLY 4 1HA GLY 4 5.995 -5.788 3.591 12 HA3 GLY 4 2HA GLY 4 6.253 -4.355 4.592 13 H ARG 5 H ARG 5 4.414 -4.553 5.901 14 HA ARG 5 HA ARG 5 1.799 -4.459 4.468 15 HB2 ARG 5 1HB ARG 5 0.822 -5.799 6.193 16 HB3 ARG 5 2HB ARG 5 2.240 -6.625 5.543 17 HG2 ARG 5 1HG ARG 5 3.551 -5.768 7.523 18 HG3 ARG 5 2HG ARG 5 2.015 -5.198 8.210 19 HD2 ARG 5 1HD ARG 5 1.134 -7.533 8.029 20 HD3 ARG 5 2HD ARG 5 2.718 -8.046 7.419 21 HE ARG 5 HE ARG 5 3.035 -6.689 9.913 22 HH11 ARG 5 1HH1 ARG 5 1.896 -9.788 8.640 23 HH12 ARG 5 2HH1 ARG 5 2.283 -10.628 10.131 24 HH21 ARG 5 1HH2 ARG 5 3.499 -7.826 11.751 25 HH22 ARG 5 2HH2 ARG 5 3.186 -9.550 11.843 26 H GLY 6 H GLY 6 0.028 -3.429 5.593 27 HA2 GLY 6 1HA GLY 6 -0.112 -2.092 7.896 28 HA3 GLY 6 2HA GLY 6 0.964 -1.017 7.014 29 H TYR 7 H TYR 7 0.086 -0.082 4.931 30 HA TYR 7 HA TYR 7 -2.843 0.281 4.964 31 HB2 TYR 7 1HB TYR 7 -1.868 1.600 6.876 32 HB3 TYR 7 2HB TYR 7 -0.986 2.559 5.684 33 HD1 TYR 7 HD1 TYR 7 -4.251 1.918 7.221 34 HD2 TYR 7 HD2 TYR 7 -2.240 3.967 4.061 35 HE1 TYR 7 HE1 TYR 7 -6.239 3.336 6.878 36 HE2 TYR 7 HE2 TYR 7 -4.207 5.446 3.767 37 HH TYR 7 HH TYR 7 -7.176 5.035 5.706 38 H GLU 8 H GLU 8 0.300 1.063 3.563 39 HA GLU 8 HA GLU 8 -0.346 3.072 1.762 40 HB2 GLU 8 1HB GLU 8 1.922 1.801 2.305 41 HB3 GLU 8 2HB GLU 8 1.488 0.793 0.939 42 HG2 GLU 8 1HG GLU 8 1.800 3.835 0.900 43 HG3 GLU 8 2HG GLU 8 3.001 2.707 0.318 44 H TYR 9 H TYR 9 -1.806 3.302 0.392 45 HA TYR 9 HA TYR 9 -3.319 3.013 -1.242 46 HB2 TYR 9 1HB TYR 9 -1.272 1.976 -2.411 47 HB3 TYR 9 2HB TYR 9 -2.052 0.420 -2.104 48 HD1 TYR 9 HD1 TYR 9 -2.388 3.676 -3.864 49 HD2 TYR 9 HD2 TYR 9 -4.010 -0.251 -3.370 50 HE1 TYR 9 HE1 TYR 9 -3.875 4.042 -5.798 51 HE2 TYR 9 HE2 TYR 9 -5.489 0.118 -5.307 52 HH TYR 9 HH TYR 9 -5.508 3.182 -7.129 53 H ASN 10 H ASN 10 -2.628 -0.141 0.252 54 HA ASN 10 HA ASN 10 -5.449 -0.195 1.138 55 HB2 ASN 10 1HB ASN 10 -4.054 -2.468 -0.335 56 HB3 ASN 10 2HB ASN 10 -5.487 -2.708 0.678 57 HD21 ASN 10 1HD2 ASN 10 -7.617 -0.815 -1.605 58 HD22 ASN 10 2HD2 ASN 10 -7.263 -0.879 0.110 59 H LYS 11 H LYS 11 -2.557 -2.323 1.237 60 HA LYS 11 HA LYS 11 -2.486 -2.061 4.180 61 HB2 LYS 11 1HB LYS 11 -3.001 -4.659 2.709 62 HB3 LYS 11 2HB LYS 11 -2.479 -4.581 4.389 63 HG2 LYS 11 1HG LYS 11 -5.059 -3.387 3.352 64 HG3 LYS 11 2HG LYS 11 -4.896 -4.972 4.121 65 HD2 LYS 11 1HD LYS 11 -3.947 -3.843 6.148 66 HD3 LYS 11 2HD LYS 11 -4.314 -2.281 5.405 67 HE2 LYS 11 1HE LYS 11 -6.352 -4.445 6.033 68 HE3 LYS 11 2HE LYS 11 -6.029 -3.020 7.030 69 HZ1 LYS 11 1HZ LYS 11 -7.023 -2.977 4.227 70 HZ2 LYS 11 2HZ LYS 11 -7.889 -2.561 5.564 71 HZ3 LYS 11 3HZ LYS 11 -6.617 -1.639 5.077 72 H GLN 12 H GLN 12 -0.516 -1.275 2.136 73 HA GLN 12 HA GLN 12 1.644 -3.193 2.879 74 HB2 GLN 12 1HB GLN 12 1.356 -1.278 0.586 75 HB3 GLN 12 2HB GLN 12 2.953 -1.813 1.131 76 HG2 GLN 12 1HG GLN 12 2.105 -4.197 0.903 77 HG3 GLN 12 2HG GLN 12 0.705 -3.513 0.063 78 HE21 GLN 12 1HE2 GLN 12 3.698 -4.475 -2.195 79 HE22 GLN 12 2HE2 GLN 12 3.001 -5.301 -0.816 80 H CYS 13 H CYS 13 3.858 -2.168 3.225 81 HA CYS 13 HA CYS 13 3.646 -0.472 5.510 82 HB2 CYS 13 1HB CYS 13 5.931 -1.386 3.783 83 HB3 CYS 13 2HB CYS 13 6.188 -0.043 4.899 84 H LEU 14 H LEU 14 3.102 1.575 5.611 85 HA LEU 14 HA LEU 14 3.362 3.338 3.267 86 HB2 LEU 14 1HB LEU 14 1.317 3.238 4.680 87 HB3 LEU 14 2HB LEU 14 2.253 3.799 6.054 88 HG LEU 14 HG LEU 14 2.562 5.984 4.989 89 HD11 LEU 14 1HD1 LEU 14 0.819 4.865 2.764 90 HD12 LEU 14 2HD1 LEU 14 1.288 6.567 2.962 91 HD13 LEU 14 3HD1 LEU 14 2.529 5.349 2.620 92 HD21 LEU 14 1HD2 LEU 14 0.225 6.702 5.170 93 HD22 LEU 14 2HD2 LEU 14 -0.322 5.019 5.012 94 HD23 LEU 14 3HD2 LEU 14 0.618 5.523 6.437 95 H ILE 15 H ILE 15 5.743 2.694 3.695 96 HA ILE 15 HA ILE 15 7.868 3.418 4.023 97 HB ILE 15 HB ILE 15 6.792 5.962 5.292 98 HG12 ILE 15 1HG1 ILE 15 7.648 5.599 2.404 99 HG13 ILE 15 2HG1 ILE 15 5.961 5.522 2.918 100 HG21 ILE 15 1HG2 ILE 15 9.172 5.445 5.744 101 HG22 ILE 15 2HG2 ILE 15 9.472 5.309 3.998 102 HG23 ILE 15 3HG2 ILE 15 9.000 6.869 4.709 103 HD11 ILE 15 1HD1 ILE 15 7.804 7.910 3.138 104 HD12 ILE 15 2HD1 ILE 15 6.374 7.721 2.100 105 HD13 ILE 15 3HD1 ILE 15 6.184 7.823 3.866 106 H PHE 16 H PHE 16 5.784 4.272 6.783 107 HA PHE 16 HA PHE 16 8.017 3.682 8.637 108 HB2 PHE 16 1HB PHE 16 5.306 4.834 9.322 109 HB3 PHE 16 2HB PHE 16 6.817 4.989 10.221 110 HD1 PHE 16 HD1 PHE 16 4.586 6.604 8.045 111 HD2 PHE 16 HD2 PHE 16 8.770 6.216 8.828 112 HE1 PHE 16 HE1 PHE 16 5.009 8.672 6.781 113 HE2 PHE 16 HE2 PHE 16 9.201 8.273 7.541 114 HZ PHE 16 HZ PHE 16 7.322 9.510 6.515 115 H CYS 17 H CYS 17 5.996 1.765 7.181 116 HA CYS 17 HA CYS 17 4.590 -0.034 7.722 117 HB2 CYS 17 1HB CYS 17 6.998 -0.420 9.560 118 HB3 CYS 17 2HB CYS 17 5.806 -1.688 9.185 119 HC CYS 17 HC CYS 17 4.615 0.928 10.665
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