NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
637697 | 5zv6 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -6.338 -8.279 0.985 2 H2 ALA 1 H2 ALA 1 -7.491 -9.115 1.817 3 H3 ALA 1 H3 ALA 1 -6.004 -8.872 2.488 4 HA ALA 1 HA ALA 1 -7.992 -6.795 1.875 5 HB1 ALA 1 HB1 ALA 1 -8.583 -8.201 3.813 6 HB2 ALA 1 HB2 ALA 1 -6.999 -7.847 4.545 7 HB3 ALA 1 HB3 ALA 1 -8.179 -6.537 4.300 8 H GLY 2 H GLY 2 -7.408 -4.681 2.227 9 HA2 GLY 2 HA2 GLY 2 -5.902 -2.980 3.009 10 HA3 GLY 2 HA3 GLY 2 -4.581 -4.165 3.004 11 H GLU 3 H GLU 3 -6.472 -1.900 1.151 12 HA GLU 3 HA GLU 3 -4.517 -2.173 -1.094 13 HB2 GLU 3 HB3 GLU 3 -7.523 -1.826 -1.240 14 HB3 GLU 3 HB2 GLU 3 -6.446 -1.429 -2.589 15 HG2 GLU 3 HG2 GLU 3 -5.638 -3.742 -2.647 16 HG3 GLU 3 HG3 GLU 3 -6.699 -4.155 -1.287 17 H CYS 4 H CYS 4 -3.914 -0.291 -2.149 18 HA CYS 4 HA CYS 4 -4.279 2.166 -0.542 19 HB2 CYS 4 HB2 CYS 4 -2.475 1.576 -2.909 20 HB3 CYS 4 HB3 CYS 4 -2.472 3.073 -1.963 21 HG CYS 4 HG CYS 4 -2.046 0.344 -0.011 22 H VAL 5 H VAL 5 -5.034 4.107 -1.327 23 HA VAL 5 HA VAL 5 -6.573 3.923 -3.884 24 HB VAL 5 HB VAL 5 -7.237 5.848 -1.629 25 HG11 VAL 5 HG11 VAL 5 -8.162 6.326 -3.871 26 HG12 VAL 5 HG12 VAL 5 -8.929 4.721 -3.884 27 HG13 VAL 5 HG13 VAL 5 -9.433 5.938 -2.687 28 HG21 VAL 5 HG21 VAL 5 -9.166 4.144 -1.196 29 HG22 VAL 5 HG22 VAL 5 -8.051 2.966 -1.929 30 HG23 VAL 5 HG23 VAL 5 -7.566 3.861 -0.469 31 H ARG 6 H ARG 6 -5.547 4.929 -5.448 32 HA ARG 6 HA ARG 6 -4.333 6.457 -6.656 33 HB2 ARG 6 HB3 ARG 6 -6.370 7.829 -5.639 34 HB3 ARG 6 HB2 ARG 6 -5.071 8.682 -4.789 35 HG2 ARG 6 HG3 ARG 6 -4.000 9.206 -6.952 36 HG3 ARG 6 HG2 ARG 6 -5.321 8.372 -7.797 37 HD2 ARG 6 HD3 ARG 6 -5.879 10.667 -7.886 38 HD3 ARG 6 HD2 ARG 6 -6.908 9.979 -6.615 39 HE ARG 6 HE ARG 6 -4.621 10.916 -5.312 40 HH11 ARG 6 HH11 ARG 6 -7.201 12.334 -7.288 41 HH12 ARG 6 HH12 ARG 6 -7.095 13.890 -6.495 42 HH21 ARG 6 HH21 ARG 6 -4.516 12.937 -4.316 43 HH22 ARG 6 HH22 ARG 6 -5.583 14.228 -4.822 44 H GLY 7 H GLY 7 -3.010 5.130 -4.353 45 HA2 GLY 7 HA3 GLY 7 -0.700 5.140 -3.839 46 HA3 GLY 7 HA2 GLY 7 -0.606 6.840 -4.333 47 H ARG 8 H ARG 8 -3.172 5.925 -2.169 48 HA ARG 8 HA ARG 8 -1.604 6.884 0.180 49 HB2 ARG 8 HB2 ARG 8 -4.280 7.920 -0.783 50 HB3 ARG 8 HB3 ARG 8 -3.732 8.119 0.890 51 HG2 ARG 8 HG2 ARG 8 -1.761 9.364 0.095 52 HG3 ARG 8 HG3 ARG 8 -2.306 9.158 -1.583 53 HD2 ARG 8 HD3 ARG 8 -3.005 11.330 -0.957 54 HD3 ARG 8 HD2 ARG 8 -4.462 10.322 -0.875 55 HE ARG 8 HE ARG 8 -3.244 10.357 1.692 56 HH11 ARG 8 HH11 ARG 8 -4.972 12.545 -0.497 57 HH12 ARG 8 HH12 ARG 8 -5.600 13.525 0.809 58 HH21 ARG 8 HH21 ARG 8 -4.074 11.646 3.346 59 HH22 ARG 8 HH22 ARG 8 -5.094 13.018 2.973 60 H CYS 9 H CYS 9 -1.712 5.517 1.799 61 HA CYS 9 HA CYS 9 -4.210 3.949 2.222 62 HB2 CYS 9 HB3 CYS 9 -2.544 2.556 0.975 63 HB3 CYS 9 HB2 CYS 9 -1.414 2.773 2.321 64 HG CYS 9 HG CYS 9 -3.682 1.633 4.077 65 HA PRO 10 HA PRO 10 -3.131 5.564 6.305 66 HB2 PRO 10 HB2 PRO 10 -5.572 5.282 7.481 67 HB3 PRO 10 HB3 PRO 10 -5.258 6.541 6.250 68 HG2 PRO 10 HG2 PRO 10 -6.627 3.887 5.958 69 HG3 PRO 10 HG3 PRO 10 -7.063 5.478 5.275 70 HD2 PRO 10 HD3 PRO 10 -5.708 3.486 3.901 71 HD3 PRO 10 HD2 PRO 10 -5.650 5.225 3.484 72 H GLY 11 H GLY 11 -4.272 4.568 8.666 73 HA2 GLY 11 HA2 GLY 11 -4.499 2.615 9.993 74 HA3 GLY 11 HA3 GLY 11 -3.831 1.640 8.671 75 H GLY 12 H GLY 12 -1.557 3.503 8.269 76 HA2 GLY 12 HA2 GLY 12 0.442 4.151 9.385 77 HA3 GLY 12 HA3 GLY 12 -0.058 3.223 10.812 78 H LEU 13 H LEU 13 0.134 2.233 7.387 79 HA LEU 13 HA LEU 13 2.352 0.385 8.094 80 HB2 LEU 13 HB2 LEU 13 1.266 -1.384 6.686 81 HB3 LEU 13 HB3 LEU 13 0.477 -1.055 8.229 82 HG LEU 13 HG LEU 13 -0.548 0.209 5.688 83 HD11 LEU 13 HD11 LEU 13 -1.993 -2.192 6.432 84 HD12 LEU 13 HD12 LEU 13 -1.307 -1.723 4.858 85 HD13 LEU 13 HD13 LEU 13 -0.294 -2.565 6.055 86 HD21 LEU 13 HD21 LEU 13 -1.812 -0.619 8.325 87 HD22 LEU 13 HD22 LEU 13 -2.718 0.011 6.928 88 HD23 LEU 13 HD23 LEU 13 -1.516 1.038 7.746 89 H CYS 14 H CYS 14 2.739 -0.857 5.650 90 HA CYS 14 HA CYS 14 3.766 1.438 4.077 91 HB2 CYS 14 HB2 CYS 14 4.383 -1.527 3.951 92 HB3 CYS 14 HB3 CYS 14 5.145 -0.289 2.939 93 HG CYS 14 HG CYS 14 5.970 1.082 5.542 94 H CYS 15 H CYS 15 3.631 1.527 1.802 95 HA CYS 15 HA CYS 15 1.342 0.014 0.622 96 HB2 CYS 15 HB2 CYS 15 0.558 2.243 1.175 97 HB3 CYS 15 HB3 CYS 15 1.949 2.979 0.363 98 HG CYS 15 HG CYS 15 1.005 2.865 -2.141 99 H SER 16 H SER 16 1.818 -1.013 -1.181 100 HA SER 16 HA SER 16 4.405 -0.470 -2.509 101 HB2 SER 16 HB2 SER 16 3.876 -2.574 -3.768 102 HB3 SER 16 HB3 SER 16 3.986 -2.786 -2.008 103 HG SER 16 HG SER 16 1.601 -2.542 -3.550 104 H LYS 17 H LYS 17 4.654 0.030 -4.640 105 HA LYS 17 HA LYS 17 2.910 1.900 -5.802 106 HB2 LYS 17 HB2 LYS 17 5.118 0.204 -6.962 107 HB3 LYS 17 HB3 LYS 17 4.245 1.399 -7.936 108 HG2 LYS 17 HG3 LYS 17 4.934 3.170 -6.353 109 HG3 LYS 17 HG2 LYS 17 5.824 1.959 -5.406 110 HD2 LYS 17 HD2 LYS 17 7.250 1.473 -7.345 111 HD3 LYS 17 HD3 LYS 17 6.356 2.666 -8.311 112 HE2 LYS 17 HE3 LYS 17 7.054 4.443 -6.741 113 HE3 LYS 17 HE2 LYS 17 7.957 3.241 -5.796 114 HZ1 LYS 17 HZ1 LYS 17 9.379 4.434 -7.304 115 HZ2 LYS 17 HZ2 LYS 17 9.325 2.840 -7.721 116 HZ3 LYS 17 HZ3 LYS 17 8.487 3.952 -8.605 117 H PHE 18 H PHE 18 2.683 -1.568 -5.955 118 HA PHE 18 HA PHE 18 1.122 -1.679 -8.411 119 HB2 PHE 18 HB2 PHE 18 1.624 -3.655 -6.172 120 HB3 PHE 18 HB3 PHE 18 0.597 -4.024 -7.567 121 HD1 PHE 18 HD1 PHE 18 1.574 -4.326 -9.781 122 HD2 PHE 18 HD2 PHE 18 4.032 -3.456 -6.411 123 HE1 PHE 18 HE1 PHE 18 3.562 -4.998 -11.059 124 HE2 PHE 18 HE2 PHE 18 6.021 -4.128 -7.686 125 HZ PHE 18 HZ PHE 18 5.791 -4.896 -10.015 126 H GLY 19 H GLY 19 0.442 -0.525 -5.339 127 HA2 GLY 19 HA3 GLY 19 -1.637 0.453 -4.747 128 HA3 GLY 19 HA2 GLY 19 -2.460 -0.624 -5.891 129 H PHE 20 H PHE 20 -0.192 -1.287 -3.182 130 HA PHE 20 HA PHE 20 -2.398 -2.751 -1.810 131 HB2 PHE 20 HB2 PHE 20 0.311 -3.894 -2.539 132 HB3 PHE 20 HB3 PHE 20 -0.734 -4.602 -1.295 133 HD1 PHE 20 HD1 PHE 20 -0.283 -4.027 -4.893 134 HD2 PHE 20 HD2 PHE 20 -2.791 -5.747 -1.910 135 HE1 PHE 20 HE1 PHE 20 -1.477 -5.292 -6.629 136 HE2 PHE 20 HE2 PHE 20 -3.988 -7.012 -3.644 137 HZ PHE 20 HZ PHE 20 -3.331 -6.788 -6.006 138 H CYS 21 H CYS 21 -1.953 -3.302 0.424 139 HA CYS 21 HA CYS 21 0.022 -1.455 1.702 140 HB2 CYS 21 HB2 CYS 21 -2.636 -2.260 2.899 141 HB3 CYS 21 HB3 CYS 21 -1.529 -0.994 3.453 142 HG CYS 21 HG CYS 21 -3.039 -0.727 0.351 143 H GLY 22 H GLY 22 0.965 -2.166 3.690 144 HA2 GLY 22 HA3 GLY 22 0.389 -4.632 4.955 145 HA3 GLY 22 HA2 GLY 22 1.618 -4.942 3.715 146 H SER 23 H SER 23 1.986 -5.342 6.479 147 HA SER 23 HA SER 23 3.969 -3.200 7.125 148 HB2 SER 23 HB2 SER 23 2.444 -5.029 9.013 149 HB3 SER 23 HB3 SER 23 3.667 -3.834 9.494 150 HG SER 23 HG SER 23 1.514 -3.024 9.674 151 H GLY 24 H GLY 24 6.014 -3.761 7.764 152 HA2 GLY 24 HA2 GLY 24 7.701 -5.309 8.444 153 HA3 GLY 24 HA3 GLY 24 6.688 -6.651 7.879 154 HA PRO 25 HA PRO 25 9.912 -5.632 4.611 155 HB2 PRO 25 HB2 PRO 25 11.031 -8.329 4.951 156 HB3 PRO 25 HB3 PRO 25 11.825 -6.748 5.195 157 HG2 PRO 25 HG3 PRO 25 11.242 -8.476 7.221 158 HG3 PRO 25 HG2 PRO 25 11.345 -6.706 7.428 159 HD2 PRO 25 HD3 PRO 25 8.910 -8.455 7.094 160 HD3 PRO 25 HD2 PRO 25 9.178 -7.092 8.227 161 H ALA 26 H ALA 26 7.498 -6.006 3.824 162 HA ALA 26 HA ALA 26 7.638 -8.153 1.777 163 HB1 ALA 26 HB1 ALA 26 6.263 -9.067 3.614 164 HB2 ALA 26 HB2 ALA 26 5.297 -8.782 2.146 165 HB3 ALA 26 HB3 ALA 26 5.194 -7.647 3.514 166 H TYR 27 H TYR 27 5.911 -5.315 3.032 167 HA TYR 27 HA TYR 27 5.499 -4.390 0.218 168 HB2 TYR 27 HB2 TYR 27 3.801 -3.943 2.695 169 HB3 TYR 27 HB3 TYR 27 3.576 -3.061 1.175 170 HD1 TYR 27 HD1 TYR 27 3.253 -6.339 2.842 171 HD2 TYR 27 HD2 TYR 27 2.575 -4.158 -0.755 172 HE1 TYR 27 HE1 TYR 27 1.811 -8.149 2.018 173 HE2 TYR 27 HE2 TYR 27 1.132 -5.966 -1.580 174 HH TYR 27 HH TYR 27 0.938 -8.528 -1.109 175 H CYS 28 H CYS 28 7.306 -3.984 2.955 176 HA CYS 28 HA CYS 28 7.454 -1.030 2.798 177 HB2 CYS 28 HB3 CYS 28 8.801 -2.978 4.697 178 HB3 CYS 28 HB2 CYS 28 8.864 -1.210 4.796 179 HG CYS 28 HG CYS 28 6.615 -3.232 6.135 180 H GLY 29 H GLY 29 9.508 -3.935 2.413 181 HA2 GLY 29 HA2 GLY 29 11.077 -3.857 0.490 182 HA3 GLY 29 HA3 GLY 29 11.474 -2.197 0.974 183 H GLY 30 H GLY 30 12.471 -1.904 3.130 184 HA2 GLY 30 HA3 GLY 30 13.759 -4.255 4.318 185 HA3 GLY 30 HA2 GLY 30 14.859 -3.165 3.452 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -7.027 -7.977 1.962 2 H2 ALA 1 H2 ALA 1 -7.178 -8.335 3.565 3 H3 ALA 1 H3 ALA 1 -8.505 -8.361 2.586 4 HA ALA 1 HA ALA 1 -8.382 -6.020 2.214 5 HB1 ALA 1 HB1 ALA 1 -9.708 -6.867 4.112 6 HB2 ALA 1 HB2 ALA 1 -8.993 -5.274 4.460 7 HB3 ALA 1 HB3 ALA 1 -8.274 -6.745 5.159 8 H GLY 2 H GLY 2 -7.254 -4.167 2.177 9 HA2 GLY 2 HA3 GLY 2 -5.507 -2.838 3.489 10 HA3 GLY 2 HA2 GLY 2 -4.499 -4.289 3.325 11 H GLU 3 H GLU 3 -6.583 -2.379 1.121 12 HA GLU 3 HA GLU 3 -4.329 -2.368 -0.840 13 HB2 GLU 3 HB2 GLU 3 -7.331 -2.198 -1.198 14 HB3 GLU 3 HB3 GLU 3 -6.193 -1.794 -2.493 15 HG2 GLU 3 HG2 GLU 3 -6.747 -3.999 -2.957 16 HG3 GLU 3 HG3 GLU 3 -5.220 -4.165 -2.072 17 H CYS 4 H CYS 4 -3.863 -0.481 -2.018 18 HA CYS 4 HA CYS 4 -4.414 1.999 -0.489 19 HB2 CYS 4 HB2 CYS 4 -2.473 1.413 -2.744 20 HB3 CYS 4 HB3 CYS 4 -2.609 2.961 -1.894 21 HG CYS 4 HG CYS 4 -2.184 0.693 0.453 22 H VAL 5 H VAL 5 -5.094 3.934 -1.470 23 HA VAL 5 HA VAL 5 -6.474 3.590 -4.098 24 HB VAL 5 HB VAL 5 -7.586 5.357 -1.891 25 HG11 VAL 5 HG11 VAL 5 -8.328 5.787 -4.209 26 HG12 VAL 5 HG12 VAL 5 -9.658 5.222 -3.170 27 HG13 VAL 5 HG13 VAL 5 -8.897 4.104 -4.327 28 HG21 VAL 5 HG21 VAL 5 -9.336 3.431 -1.686 29 HG22 VAL 5 HG22 VAL 5 -8.024 2.410 -2.321 30 HG23 VAL 5 HG23 VAL 5 -7.795 3.312 -0.804 31 H ARG 6 H ARG 6 -5.504 4.794 -5.546 32 HA ARG 6 HA ARG 6 -4.392 6.501 -6.602 33 HB2 ARG 6 HB2 ARG 6 -6.623 7.585 -5.682 34 HB3 ARG 6 HB3 ARG 6 -5.501 8.534 -4.692 35 HG2 ARG 6 HG2 ARG 6 -4.356 9.303 -6.736 36 HG3 ARG 6 HG3 ARG 6 -5.486 8.353 -7.724 37 HD2 ARG 6 HD2 ARG 6 -7.367 9.674 -6.836 38 HD3 ARG 6 HD3 ARG 6 -6.237 10.624 -5.850 39 HE ARG 6 HE ARG 6 -5.385 10.768 -8.548 40 HH11 ARG 6 HH11 ARG 6 -8.107 11.860 -6.556 41 HH12 ARG 6 HH12 ARG 6 -8.421 13.254 -7.564 42 HH21 ARG 6 HH21 ARG 6 -5.824 12.576 -9.822 43 HH22 ARG 6 HH22 ARG 6 -7.134 13.657 -9.404 44 H GLY 7 H GLY 7 -3.087 5.222 -4.244 45 HA2 GLY 7 HA2 GLY 7 -0.882 5.415 -3.486 46 HA3 GLY 7 HA3 GLY 7 -0.824 7.083 -4.081 47 H ARG 8 H ARG 8 -3.436 6.008 -1.990 48 HA ARG 8 HA ARG 8 -2.132 7.346 0.338 49 HB2 ARG 8 HB2 ARG 8 -4.908 7.837 -0.765 50 HB3 ARG 8 HB3 ARG 8 -4.461 8.244 0.900 51 HG2 ARG 8 HG3 ARG 8 -2.690 9.744 0.039 52 HG3 ARG 8 HG2 ARG 8 -3.177 9.343 -1.621 53 HD2 ARG 8 HD2 ARG 8 -5.424 10.245 -1.182 54 HD3 ARG 8 HD3 ARG 8 -4.938 10.655 0.475 55 HE ARG 8 HE ARG 8 -3.105 11.873 -1.314 56 HH11 ARG 8 HH11 ARG 8 -6.519 12.147 -0.397 57 HH12 ARG 8 HH12 ARG 8 -6.600 13.847 -0.802 58 HH21 ARG 8 HH21 ARG 8 -3.251 14.066 -1.824 59 HH22 ARG 8 HH22 ARG 8 -4.759 14.927 -1.606 60 H CYS 9 H CYS 9 -1.940 5.948 1.920 61 HA CYS 9 HA CYS 9 -4.231 4.185 2.589 62 HB2 CYS 9 HB3 CYS 9 -2.743 2.847 1.133 63 HB3 CYS 9 HB2 CYS 9 -1.389 3.180 2.224 64 HG CYS 9 HG CYS 9 -4.140 1.677 3.619 65 HA PRO 10 HA PRO 10 -2.607 5.854 6.487 66 HB2 PRO 10 HB2 PRO 10 -4.951 5.896 7.873 67 HB3 PRO 10 HB3 PRO 10 -4.598 7.084 6.585 68 HG2 PRO 10 HG2 PRO 10 -6.321 4.635 6.504 69 HG3 PRO 10 HG3 PRO 10 -6.585 6.244 5.776 70 HD2 PRO 10 HD3 PRO 10 -5.604 4.001 4.434 71 HD3 PRO 10 HD2 PRO 10 -5.422 5.694 3.885 72 H GLY 11 H GLY 11 -3.687 5.020 8.964 73 HA2 GLY 11 HA3 GLY 11 -4.090 3.064 10.287 74 HA3 GLY 11 HA2 GLY 11 -3.498 2.058 8.952 75 H GLY 12 H GLY 12 -1.106 3.708 8.501 76 HA2 GLY 12 HA2 GLY 12 0.923 4.263 9.657 77 HA3 GLY 12 HA3 GLY 12 0.400 3.269 11.030 78 H LEU 13 H LEU 13 0.459 2.469 7.557 79 HA LEU 13 HA LEU 13 2.607 0.483 8.093 80 HB2 LEU 13 HB2 LEU 13 1.395 -1.118 6.573 81 HB3 LEU 13 HB3 LEU 13 0.676 -0.878 8.166 82 HG LEU 13 HG LEU 13 -0.369 0.663 5.795 83 HD11 LEU 13 HD11 LEU 13 -1.987 -1.638 6.205 84 HD12 LEU 13 HD12 LEU 13 -0.309 -2.199 6.013 85 HD13 LEU 13 HD13 LEU 13 -1.057 -1.187 4.755 86 HD21 LEU 13 HD21 LEU 13 -1.526 -0.352 8.411 87 HD22 LEU 13 HD22 LEU 13 -1.282 1.336 7.901 88 HD23 LEU 13 HD23 LEU 13 -2.520 0.336 7.104 89 H CYS 14 H CYS 14 2.872 -0.601 5.541 90 HA CYS 14 HA CYS 14 3.757 1.817 4.027 91 HB2 CYS 14 HB3 CYS 14 5.440 0.348 2.992 92 HB3 CYS 14 HB2 CYS 14 5.596 0.424 4.755 93 HG CYS 14 HG CYS 14 3.905 -2.208 3.280 94 H CYS 15 H CYS 15 3.692 1.775 1.718 95 HA CYS 15 HA CYS 15 1.583 -0.037 0.626 96 HB2 CYS 15 HB2 CYS 15 0.680 2.213 1.040 97 HB3 CYS 15 HB3 CYS 15 1.960 2.920 0.042 98 HG CYS 15 HG CYS 15 0.984 2.128 -2.392 99 H SER 16 H SER 16 2.035 -1.063 -1.191 100 HA SER 16 HA SER 16 4.636 -0.561 -2.497 101 HB2 SER 16 HB2 SER 16 3.836 -2.878 -1.878 102 HB3 SER 16 HB3 SER 16 2.580 -2.709 -3.122 103 HG SER 16 HG SER 16 4.476 -3.764 -3.911 104 H LYS 17 H LYS 17 4.918 -0.044 -4.634 105 HA LYS 17 HA LYS 17 3.186 1.854 -5.792 106 HB2 LYS 17 HB2 LYS 17 5.443 0.201 -6.915 107 HB3 LYS 17 HB3 LYS 17 4.569 1.378 -7.910 108 HG2 LYS 17 HG3 LYS 17 5.178 3.157 -6.293 109 HG3 LYS 17 HG2 LYS 17 6.095 1.960 -5.354 110 HD2 LYS 17 HD2 LYS 17 7.555 1.542 -7.279 111 HD3 LYS 17 HD3 LYS 17 6.629 2.706 -8.250 112 HE2 LYS 17 HE2 LYS 17 8.550 3.874 -7.508 113 HE3 LYS 17 HE3 LYS 17 7.221 4.445 -6.480 114 HZ1 LYS 17 HZ1 LYS 17 9.188 3.964 -5.204 115 HZ2 LYS 17 HZ2 LYS 17 9.214 2.403 -5.736 116 HZ3 LYS 17 HZ3 LYS 17 7.978 2.927 -4.777 117 H PHE 18 H PHE 18 2.956 -1.603 -5.961 118 HA PHE 18 HA PHE 18 1.462 -1.699 -8.466 119 HB2 PHE 18 HB3 PHE 18 1.952 -3.707 -6.250 120 HB3 PHE 18 HB2 PHE 18 0.942 -4.056 -7.664 121 HD1 PHE 18 HD1 PHE 18 1.925 -4.335 -9.864 122 HD2 PHE 18 HD2 PHE 18 4.369 -3.463 -6.484 123 HE1 PHE 18 HE1 PHE 18 3.921 -4.966 -11.147 124 HE2 PHE 18 HE2 PHE 18 6.367 -4.097 -7.764 125 HZ PHE 18 HZ PHE 18 6.147 -4.849 -10.099 126 H GLY 19 H GLY 19 0.701 -0.566 -5.413 127 HA2 GLY 19 HA3 GLY 19 -1.417 0.381 -4.885 128 HA3 GLY 19 HA2 GLY 19 -2.192 -0.745 -6.017 129 H PHE 20 H PHE 20 0.049 -1.273 -3.261 130 HA PHE 20 HA PHE 20 -2.122 -2.802 -1.901 131 HB2 PHE 20 HB2 PHE 20 0.670 -3.792 -2.529 132 HB3 PHE 20 HB3 PHE 20 -0.344 -4.519 -1.270 133 HD1 PHE 20 HD1 PHE 20 -2.313 -5.820 -1.865 134 HD2 PHE 20 HD2 PHE 20 0.124 -4.056 -4.881 135 HE1 PHE 20 HE1 PHE 20 -3.394 -7.231 -3.560 136 HE2 PHE 20 HE2 PHE 20 -0.954 -5.466 -6.579 137 HZ PHE 20 HZ PHE 20 -2.717 -7.055 -5.922 138 H CYS 21 H CYS 21 -1.691 -3.260 0.377 139 HA CYS 21 HA CYS 21 0.240 -1.373 1.643 140 HB2 CYS 21 HB2 CYS 21 -2.482 -0.905 1.546 141 HB3 CYS 21 HB3 CYS 21 -2.288 -1.716 3.109 142 HG CYS 21 HG CYS 21 0.103 0.358 3.328 143 H GLY 22 H GLY 22 1.111 -2.041 3.619 144 HA2 GLY 22 HA2 GLY 22 0.145 -4.301 5.079 145 HA3 GLY 22 HA3 GLY 22 1.432 -4.825 3.978 146 H SER 23 H SER 23 2.074 -5.360 6.375 147 HA SER 23 HA SER 23 3.917 -3.177 7.238 148 HB2 SER 23 HB2 SER 23 3.571 -3.978 9.595 149 HB3 SER 23 HB3 SER 23 2.148 -3.200 8.870 150 HG SER 23 HG SER 23 1.627 -5.165 9.962 151 H GLY 24 H GLY 24 5.967 -3.745 7.670 152 HA2 GLY 24 HA2 GLY 24 7.669 -5.286 8.351 153 HA3 GLY 24 HA3 GLY 24 6.621 -6.638 7.883 154 HA PRO 25 HA PRO 25 9.684 -5.734 4.427 155 HB2 PRO 25 HB2 PRO 25 10.866 -8.395 4.828 156 HB3 PRO 25 HB3 PRO 25 11.643 -6.793 4.965 157 HG2 PRO 25 HG3 PRO 25 11.188 -8.440 7.090 158 HG3 PRO 25 HG2 PRO 25 11.269 -6.661 7.215 159 HD2 PRO 25 HD3 PRO 25 8.852 -8.461 7.068 160 HD3 PRO 25 HD2 PRO 25 9.149 -7.051 8.134 161 H ALA 26 H ALA 26 7.269 -6.148 3.744 162 HA ALA 26 HA ALA 26 7.311 -8.446 1.858 163 HB1 ALA 26 HB1 ALA 26 5.945 -9.149 3.789 164 HB2 ALA 26 HB2 ALA 26 4.924 -7.705 3.587 165 HB3 ALA 26 HB3 ALA 26 4.959 -8.955 2.320 166 H TYR 27 H TYR 27 5.698 -5.454 2.893 167 HA TYR 27 HA TYR 27 5.311 -4.737 0.015 168 HB2 TYR 27 HB3 TYR 27 3.590 -4.041 2.423 169 HB3 TYR 27 HB2 TYR 27 3.406 -3.320 0.816 170 HD1 TYR 27 HD1 TYR 27 2.854 -6.319 2.846 171 HD2 TYR 27 HD2 TYR 27 2.540 -4.656 -1.064 172 HE1 TYR 27 HE1 TYR 27 1.379 -8.168 2.181 173 HE2 TYR 27 HE2 TYR 27 1.062 -6.502 -1.731 174 HH TYR 27 HH TYR 27 -0.541 -8.129 -0.465 175 H CYS 28 H CYS 28 7.008 -4.133 2.827 176 HA CYS 28 HA CYS 28 7.202 -1.210 2.447 177 HB2 CYS 28 HB2 CYS 28 8.611 -2.971 4.468 178 HB3 CYS 28 HB3 CYS 28 8.502 -1.205 4.490 179 HG CYS 28 HG CYS 28 6.800 -2.594 6.500 180 H GLY 29 H GLY 29 9.281 -4.126 2.306 181 HA2 GLY 29 HA3 GLY 29 11.095 -2.621 0.499 182 HA3 GLY 29 HA2 GLY 29 11.781 -3.381 1.948 183 H GLY 30 H GLY 30 12.419 -5.435 1.863 184 HA2 GLY 30 HA3 GLY 30 11.345 -7.632 0.694 185 HA3 GLY 30 HA2 GLY 30 12.117 -6.843 -0.694 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -8.337 -0.224 3.853 2 H2 ALA 1 H2 ALA 1 -8.314 0.286 5.421 3 H3 ALA 1 H3 ALA 1 -8.975 -1.176 5.040 4 HA ALA 1 HA ALA 1 -6.143 -0.434 4.785 5 HB1 ALA 1 HB1 ALA 1 -6.882 -0.761 7.115 6 HB2 ALA 1 HB2 ALA 1 -7.511 -2.369 6.683 7 HB3 ALA 1 HB3 ALA 1 -5.764 -2.042 6.590 8 H GLY 2 H GLY 2 -4.762 -1.949 3.907 9 HA2 GLY 2 HA2 GLY 2 -4.420 -4.272 3.141 10 HA3 GLY 2 HA3 GLY 2 -6.102 -4.271 2.577 11 H GLU 3 H GLU 3 -6.423 -2.051 1.164 12 HA GLU 3 HA GLU 3 -4.304 -2.196 -0.946 13 HB2 GLU 3 HB2 GLU 3 -7.310 -1.939 -1.177 14 HB3 GLU 3 HB3 GLU 3 -6.218 -1.537 -2.512 15 HG2 GLU 3 HG2 GLU 3 -5.349 -3.834 -2.493 16 HG3 GLU 3 HG3 GLU 3 -6.430 -4.238 -1.146 17 H CYS 4 H CYS 4 -3.780 -0.315 -2.077 18 HA CYS 4 HA CYS 4 -4.246 2.167 -0.520 19 HB2 CYS 4 HB2 CYS 4 -2.327 1.542 -2.783 20 HB3 CYS 4 HB3 CYS 4 -2.416 3.086 -1.921 21 HG CYS 4 HG CYS 4 -2.027 0.609 0.293 22 H VAL 5 H VAL 5 -5.277 3.928 -1.259 23 HA VAL 5 HA VAL 5 -6.600 3.666 -3.910 24 HB VAL 5 HB VAL 5 -8.128 3.775 -1.972 25 HG11 VAL 5 HG11 VAL 5 -8.246 5.417 -0.396 26 HG12 VAL 5 HG12 VAL 5 -7.585 6.666 -1.477 27 HG13 VAL 5 HG13 VAL 5 -6.499 5.469 -0.732 28 HG21 VAL 5 HG21 VAL 5 -8.833 4.620 -4.179 29 HG22 VAL 5 HG22 VAL 5 -8.338 6.258 -3.692 30 HG23 VAL 5 HG23 VAL 5 -9.661 5.436 -2.831 31 H ARG 6 H ARG 6 -5.589 4.666 -5.473 32 HA ARG 6 HA ARG 6 -4.406 6.205 -6.701 33 HB2 ARG 6 HB3 ARG 6 -5.927 8.073 -4.867 34 HB3 ARG 6 HB2 ARG 6 -4.902 8.651 -6.191 35 HG2 ARG 6 HG2 ARG 6 -6.262 7.333 -7.792 36 HG3 ARG 6 HG3 ARG 6 -7.327 6.848 -6.456 37 HD2 ARG 6 HD3 ARG 6 -8.419 8.675 -7.489 38 HD3 ARG 6 HD2 ARG 6 -7.672 9.344 -6.025 39 HE ARG 6 HE ARG 6 -5.804 9.706 -8.079 40 HH11 ARG 6 HH11 ARG 6 -9.109 10.788 -7.387 41 HH12 ARG 6 HH12 ARG 6 -8.915 12.285 -8.270 42 HH21 ARG 6 HH21 ARG 6 -5.596 11.648 -9.207 43 HH22 ARG 6 HH22 ARG 6 -6.936 12.768 -9.295 44 H GLY 7 H GLY 7 -3.111 5.094 -4.260 45 HA2 GLY 7 HA2 GLY 7 -0.845 5.267 -3.643 46 HA3 GLY 7 HA3 GLY 7 -0.799 6.924 -4.270 47 H ARG 8 H ARG 8 -3.347 5.889 -2.083 48 HA ARG 8 HA ARG 8 -1.967 7.217 0.202 49 HB2 ARG 8 HB3 ARG 8 -4.737 7.840 -0.861 50 HB3 ARG 8 HB2 ARG 8 -4.234 8.230 0.792 51 HG2 ARG 8 HG2 ARG 8 -2.424 9.642 -0.077 52 HG3 ARG 8 HG3 ARG 8 -2.909 9.252 -1.739 53 HD2 ARG 8 HD2 ARG 8 -4.787 10.522 0.269 54 HD3 ARG 8 HD3 ARG 8 -3.738 11.476 -0.798 55 HE ARG 8 HE ARG 8 -5.182 9.652 -2.409 56 HH11 ARG 8 HH11 ARG 8 -5.838 12.476 -0.367 57 HH12 ARG 8 HH12 ARG 8 -7.248 12.945 -1.290 58 HH21 ARG 8 HH21 ARG 8 -7.005 10.292 -3.572 59 HH22 ARG 8 HH22 ARG 8 -7.904 11.714 -3.095 60 H CYS 9 H CYS 9 -1.845 5.847 1.817 61 HA CYS 9 HA CYS 9 -4.199 4.156 2.472 62 HB2 CYS 9 HB2 CYS 9 -2.689 2.771 1.097 63 HB3 CYS 9 HB3 CYS 9 -1.361 3.096 2.222 64 HG CYS 9 HG CYS 9 -4.203 1.678 3.535 65 HA PRO 10 HA PRO 10 -2.703 5.875 6.392 66 HB2 PRO 10 HB2 PRO 10 -5.073 5.852 7.734 67 HB3 PRO 10 HB3 PRO 10 -4.737 7.038 6.439 68 HG2 PRO 10 HG3 PRO 10 -6.356 4.519 6.350 69 HG3 PRO 10 HG2 PRO 10 -6.689 6.113 5.618 70 HD2 PRO 10 HD2 PRO 10 -5.606 3.927 4.269 71 HD3 PRO 10 HD3 PRO 10 -5.449 5.634 3.754 72 H GLY 11 H GLY 11 -3.776 5.035 8.854 73 HA2 GLY 11 HA2 GLY 11 -4.111 3.118 10.226 74 HA3 GLY 11 HA3 GLY 11 -3.566 2.077 8.898 75 H GLY 12 H GLY 12 -1.178 3.726 8.356 76 HA2 GLY 12 HA2 GLY 12 0.898 4.270 9.400 77 HA3 GLY 12 HA3 GLY 12 0.392 3.388 10.853 78 H LEU 13 H LEU 13 0.422 2.390 7.421 79 HA LEU 13 HA LEU 13 2.501 0.368 8.084 80 HB2 LEU 13 HB3 LEU 13 1.261 -1.296 6.663 81 HB3 LEU 13 HB2 LEU 13 0.514 -0.905 8.214 82 HG LEU 13 HG LEU 13 -0.436 0.510 5.740 83 HD11 LEU 13 HD11 LEU 13 -2.091 -1.763 6.289 84 HD12 LEU 13 HD12 LEU 13 -0.420 -2.321 6.041 85 HD13 LEU 13 HD13 LEU 13 -1.227 -1.346 4.790 86 HD21 LEU 13 HD21 LEU 13 -1.684 -0.353 8.370 87 HD22 LEU 13 HD22 LEU 13 -2.610 0.338 7.016 88 HD23 LEU 13 HD23 LEU 13 -1.348 1.305 7.815 89 H CYS 14 H CYS 14 2.809 -0.861 5.645 90 HA CYS 14 HA CYS 14 3.947 1.378 4.063 91 HB2 CYS 14 HB3 CYS 14 4.458 -1.611 4.004 92 HB3 CYS 14 HB2 CYS 14 5.227 -0.436 2.925 93 HG CYS 14 HG CYS 14 6.132 1.009 5.475 94 H CYS 15 H CYS 15 3.811 1.448 1.783 95 HA CYS 15 HA CYS 15 1.479 -0.007 0.620 96 HB2 CYS 15 HB2 CYS 15 0.768 2.258 1.201 97 HB3 CYS 15 HB3 CYS 15 2.134 2.943 0.307 98 HG CYS 15 HG CYS 15 1.103 2.707 -2.169 99 H SER 16 H SER 16 1.932 -1.049 -1.177 100 HA SER 16 HA SER 16 4.520 -0.573 -2.522 101 HB2 SER 16 HB3 SER 16 3.718 -2.888 -1.918 102 HB3 SER 16 HB2 SER 16 2.422 -2.687 -3.117 103 HG SER 16 HG SER 16 4.274 -3.756 -3.982 104 H LYS 17 H LYS 17 4.779 -0.015 -4.639 105 HA LYS 17 HA LYS 17 3.050 1.906 -5.758 106 HB2 LYS 17 HB3 LYS 17 5.265 0.237 -6.958 107 HB3 LYS 17 HB2 LYS 17 4.398 1.472 -7.886 108 HG2 LYS 17 HG2 LYS 17 5.085 3.186 -6.262 109 HG3 LYS 17 HG3 LYS 17 5.964 1.953 -5.333 110 HD2 LYS 17 HD2 LYS 17 7.404 1.511 -7.278 111 HD3 LYS 17 HD3 LYS 17 6.519 2.730 -8.218 112 HE2 LYS 17 HE3 LYS 17 7.211 4.465 -6.600 113 HE3 LYS 17 HE2 LYS 17 8.105 3.238 -5.679 114 HZ1 LYS 17 HZ1 LYS 17 9.540 4.464 -7.147 115 HZ2 LYS 17 HZ2 LYS 17 9.484 2.880 -7.603 116 HZ3 LYS 17 HZ3 LYS 17 8.655 4.017 -8.465 117 H PHE 18 H PHE 18 2.811 -1.552 -5.976 118 HA PHE 18 HA PHE 18 1.281 -1.612 -8.457 119 HB2 PHE 18 HB2 PHE 18 1.792 -3.636 -6.266 120 HB3 PHE 18 HB3 PHE 18 0.758 -3.981 -7.663 121 HD1 PHE 18 HD1 PHE 18 4.201 -3.387 -6.525 122 HD2 PHE 18 HD2 PHE 18 1.719 -4.256 -9.877 123 HE1 PHE 18 HE1 PHE 18 6.185 -4.015 -7.829 124 HE2 PHE 18 HE2 PHE 18 3.702 -4.884 -11.184 125 HZ PHE 18 HZ PHE 18 5.940 -4.764 -10.161 126 H GLY 19 H GLY 19 0.562 -0.517 -5.375 127 HA2 GLY 19 HA3 GLY 19 -1.542 0.439 -4.811 128 HA3 GLY 19 HA2 GLY 19 -2.338 -0.663 -5.950 129 H PHE 20 H PHE 20 -0.069 -1.258 -3.228 130 HA PHE 20 HA PHE 20 -2.246 -2.772 -1.864 131 HB2 PHE 20 HB3 PHE 20 0.523 -3.816 -2.523 132 HB3 PHE 20 HB2 PHE 20 -0.519 -4.537 -1.284 133 HD1 PHE 20 HD1 PHE 20 -2.504 -5.786 -1.892 134 HD2 PHE 20 HD2 PHE 20 -0.050 -4.014 -4.892 135 HE1 PHE 20 HE1 PHE 20 -3.626 -7.139 -3.607 136 HE2 PHE 20 HE2 PHE 20 -1.170 -5.368 -6.609 137 HZ PHE 20 HZ PHE 20 -2.963 -6.931 -5.970 138 H CYS 21 H CYS 21 -1.811 -3.265 0.394 139 HA CYS 21 HA CYS 21 0.156 -1.419 1.669 140 HB2 CYS 21 HB2 CYS 21 -2.574 -0.973 1.628 141 HB3 CYS 21 HB3 CYS 21 -2.336 -1.797 3.177 142 HG CYS 21 HG CYS 21 0.018 0.262 3.453 143 H GLY 22 H GLY 22 1.006 -2.089 3.659 144 HA2 GLY 22 HA2 GLY 22 0.147 -4.290 5.181 145 HA3 GLY 22 HA3 GLY 22 1.261 -4.931 3.959 146 H SER 23 H SER 23 1.785 -5.170 6.655 147 HA SER 23 HA SER 23 3.958 -3.169 7.108 148 HB2 SER 23 HB2 SER 23 2.106 -3.245 8.811 149 HB3 SER 23 HB3 SER 23 2.587 -4.914 9.184 150 HG SER 23 HG SER 23 3.570 -3.370 10.590 151 H GLY 24 H GLY 24 5.978 -3.868 7.827 152 HA2 GLY 24 HA2 GLY 24 7.566 -5.547 8.433 153 HA3 GLY 24 HA3 GLY 24 6.485 -6.794 7.784 154 HA PRO 25 HA PRO 25 9.789 -5.706 4.598 155 HB2 PRO 25 HB2 PRO 25 10.918 -8.405 4.875 156 HB3 PRO 25 HB3 PRO 25 11.703 -6.828 5.169 157 HG2 PRO 25 HG2 PRO 25 11.116 -8.612 7.148 158 HG3 PRO 25 HG3 PRO 25 11.203 -6.845 7.395 159 HD2 PRO 25 HD3 PRO 25 8.781 -8.596 6.999 160 HD3 PRO 25 HD2 PRO 25 9.038 -7.265 8.172 161 H ALA 26 H ALA 26 7.383 -6.064 3.786 162 HA ALA 26 HA ALA 26 7.537 -8.168 1.697 163 HB1 ALA 26 HB1 ALA 26 6.150 -9.116 3.507 164 HB2 ALA 26 HB2 ALA 26 5.195 -8.805 2.037 165 HB3 ALA 26 HB3 ALA 26 5.081 -7.695 3.424 166 H TYR 27 H TYR 27 5.782 -5.357 2.989 167 HA TYR 27 HA TYR 27 5.349 -4.412 0.184 168 HB2 TYR 27 HB2 TYR 27 3.758 -3.808 2.701 169 HB3 TYR 27 HB3 TYR 27 3.468 -3.074 1.115 170 HD1 TYR 27 HD1 TYR 27 3.100 -6.101 3.157 171 HD2 TYR 27 HD2 TYR 27 2.479 -4.416 -0.708 172 HE1 TYR 27 HE1 TYR 27 1.617 -7.972 2.581 173 HE2 TYR 27 HE2 TYR 27 0.993 -6.286 -1.284 174 HH TYR 27 HH TYR 27 0.873 -9.114 0.352 175 H CYS 28 H CYS 28 7.259 -4.037 2.854 176 HA CYS 28 HA CYS 28 7.464 -1.089 2.711 177 HB2 CYS 28 HB2 CYS 28 8.875 -3.102 4.487 178 HB3 CYS 28 HB3 CYS 28 9.019 -1.341 4.611 179 HG CYS 28 HG CYS 28 6.824 -3.289 6.108 180 H GLY 29 H GLY 29 9.423 -4.022 2.116 181 HA2 GLY 29 HA3 GLY 29 11.251 -2.317 0.481 182 HA3 GLY 29 HA2 GLY 29 11.895 -3.508 1.628 183 H GLY 30 H GLY 30 12.909 -4.877 0.262 184 HA2 GLY 30 HA2 GLY 30 11.142 -6.556 -1.405 185 HA3 GLY 30 HA3 GLY 30 12.466 -5.719 -2.239 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -8.466 -0.351 4.670 2 H2 ALA 1 H2 ALA 1 -8.727 -1.265 6.017 3 H3 ALA 1 H3 ALA 1 -8.137 0.268 6.163 4 HA ALA 1 HA ALA 1 -6.107 -0.321 5.078 5 HB1 ALA 1 HB1 ALA 1 -6.267 -0.542 7.529 6 HB2 ALA 1 HB2 ALA 1 -5.182 -1.763 6.824 7 HB3 ALA 1 HB3 ALA 1 -6.824 -2.221 7.335 8 H GLY 2 H GLY 2 -5.006 -1.594 3.718 9 HA2 GLY 2 HA3 GLY 2 -4.726 -4.146 3.225 10 HA3 GLY 2 HA2 GLY 2 -6.431 -4.020 2.750 11 H GLU 3 H GLU 3 -6.758 -1.915 1.284 12 HA GLU 3 HA GLU 3 -4.745 -2.166 -0.915 13 HB2 GLU 3 HB2 GLU 3 -7.738 -1.732 -0.977 14 HB3 GLU 3 HB3 GLU 3 -6.704 -1.404 -2.378 15 HG2 GLU 3 HG3 GLU 3 -5.965 -3.756 -2.373 16 HG3 GLU 3 HG2 GLU 3 -7.004 -4.073 -0.970 17 H CYS 4 H CYS 4 -4.124 -0.345 -2.064 18 HA CYS 4 HA CYS 4 -4.387 2.185 -0.538 19 HB2 CYS 4 HB3 CYS 4 -2.570 1.379 -2.832 20 HB3 CYS 4 HB2 CYS 4 -2.562 2.963 -2.041 21 HG CYS 4 HG CYS 4 -2.238 0.532 0.250 22 H VAL 5 H VAL 5 -4.912 4.168 -1.508 23 HA VAL 5 HA VAL 5 -6.402 3.951 -4.088 24 HB VAL 5 HB VAL 5 -7.264 5.819 -1.851 25 HG11 VAL 5 HG11 VAL 5 -8.036 6.325 -4.145 26 HG12 VAL 5 HG12 VAL 5 -8.769 4.706 -4.243 27 HG13 VAL 5 HG13 VAL 5 -9.380 5.890 -3.063 28 HG21 VAL 5 HG21 VAL 5 -9.187 4.072 -1.591 29 HG22 VAL 5 HG22 VAL 5 -7.999 2.929 -2.263 30 HG23 VAL 5 HG23 VAL 5 -7.638 3.803 -0.755 31 H ARG 6 H ARG 6 -5.307 5.015 -5.559 32 HA ARG 6 HA ARG 6 -4.054 6.594 -6.655 33 HB2 ARG 6 HB2 ARG 6 -5.532 8.368 -4.706 34 HB3 ARG 6 HB3 ARG 6 -4.438 9.025 -5.936 35 HG2 ARG 6 HG2 ARG 6 -5.806 7.925 -7.692 36 HG3 ARG 6 HG3 ARG 6 -6.924 7.354 -6.435 37 HD2 ARG 6 HD2 ARG 6 -7.403 9.678 -5.799 38 HD3 ARG 6 HD3 ARG 6 -6.269 10.260 -7.035 39 HE ARG 6 HE ARG 6 -8.303 8.546 -8.166 40 HH11 ARG 6 HH11 ARG 6 -7.718 11.857 -7.038 41 HH12 ARG 6 HH12 ARG 6 -8.962 12.537 -8.062 42 HH21 ARG 6 HH21 ARG 6 -9.899 9.465 -9.469 43 HH22 ARG 6 HH22 ARG 6 -10.189 11.189 -9.430 44 H GLY 7 H GLY 7 -2.851 5.238 -4.290 45 HA2 GLY 7 HA2 GLY 7 -0.596 5.248 -3.625 46 HA3 GLY 7 HA3 GLY 7 -0.445 6.933 -4.153 47 H ARG 8 H ARG 8 -3.123 6.048 -2.094 48 HA ARG 8 HA ARG 8 -1.674 7.082 0.300 49 HB2 ARG 8 HB2 ARG 8 -4.330 8.031 -0.796 50 HB3 ARG 8 HB3 ARG 8 -3.866 8.269 0.897 51 HG2 ARG 8 HG2 ARG 8 -1.871 9.530 0.148 52 HG3 ARG 8 HG3 ARG 8 -2.390 9.323 -1.538 53 HD2 ARG 8 HD2 ARG 8 -4.469 10.537 -1.053 54 HD3 ARG 8 HD3 ARG 8 -3.974 10.727 0.641 55 HE ARG 8 HE ARG 8 -1.975 11.780 -1.143 56 HH11 ARG 8 HH11 ARG 8 -5.146 12.539 0.248 57 HH12 ARG 8 HH12 ARG 8 -4.915 14.267 0.100 58 HH21 ARG 8 HH21 ARG 8 -1.715 14.014 -1.318 59 HH22 ARG 8 HH22 ARG 8 -2.982 15.096 -0.782 60 H CYS 9 H CYS 9 -1.777 5.703 1.904 61 HA CYS 9 HA CYS 9 -4.267 4.130 2.323 62 HB2 CYS 9 HB2 CYS 9 -2.706 2.699 1.062 63 HB3 CYS 9 HB3 CYS 9 -1.464 2.954 2.299 64 HG CYS 9 HG CYS 9 -4.468 1.616 3.317 65 HA PRO 10 HA PRO 10 -3.114 5.702 6.408 66 HB2 PRO 10 HB2 PRO 10 -5.568 5.533 7.579 67 HB3 PRO 10 HB3 PRO 10 -5.194 6.779 6.352 68 HG2 PRO 10 HG2 PRO 10 -6.692 4.198 6.056 69 HG3 PRO 10 HG3 PRO 10 -7.043 5.808 5.368 70 HD2 PRO 10 HD3 PRO 10 -5.781 3.739 4.010 71 HD3 PRO 10 HD2 PRO 10 -5.653 5.470 3.577 72 H GLY 11 H GLY 11 -4.316 4.739 8.761 73 HA2 GLY 11 HA3 GLY 11 -4.641 2.775 10.066 74 HA3 GLY 11 HA2 GLY 11 -4.001 1.796 8.733 75 H GLY 12 H GLY 12 -1.649 3.555 8.369 76 HA2 GLY 12 HA3 GLY 12 0.367 4.107 9.526 77 HA3 GLY 12 HA2 GLY 12 -0.181 3.146 10.913 78 H LEU 13 H LEU 13 -0.013 2.252 7.463 79 HA LEU 13 HA LEU 13 2.131 0.302 8.124 80 HB2 LEU 13 HB2 LEU 13 0.979 -1.381 6.654 81 HB3 LEU 13 HB3 LEU 13 0.212 -1.078 8.214 82 HG LEU 13 HG LEU 13 -0.781 0.322 5.732 83 HD11 LEU 13 HD11 LEU 13 -2.350 -2.014 6.325 84 HD12 LEU 13 HD12 LEU 13 -0.659 -2.497 6.049 85 HD13 LEU 13 HD13 LEU 13 -1.533 -1.567 4.808 86 HD21 LEU 13 HD21 LEU 13 -2.049 -0.572 8.345 87 HD22 LEU 13 HD22 LEU 13 -1.714 1.096 7.823 88 HD23 LEU 13 HD23 LEU 13 -2.951 0.132 6.982 89 H CYS 14 H CYS 14 2.523 -0.884 5.681 90 HA CYS 14 HA CYS 14 3.578 1.420 4.133 91 HB2 CYS 14 HB2 CYS 14 4.211 -1.542 3.996 92 HB3 CYS 14 HB3 CYS 14 5.001 -0.281 3.034 93 HG CYS 14 HG CYS 14 5.146 -0.450 6.504 94 H CYS 15 H CYS 15 3.546 1.397 1.808 95 HA CYS 15 HA CYS 15 1.223 -0.075 0.648 96 HB2 CYS 15 HB3 CYS 15 0.557 2.243 1.133 97 HB3 CYS 15 HB2 CYS 15 1.944 2.840 0.208 98 HG CYS 15 HG CYS 15 0.922 2.538 -2.248 99 H SER 16 H SER 16 1.708 -1.210 -1.084 100 HA SER 16 HA SER 16 4.331 -0.847 -2.386 101 HB2 SER 16 HB2 SER 16 3.472 -3.113 -1.758 102 HB3 SER 16 HB3 SER 16 2.164 -2.907 -2.942 103 HG SER 16 HG SER 16 3.972 -4.052 -3.805 104 H LYS 17 H LYS 17 4.669 -0.379 -4.515 105 HA LYS 17 HA LYS 17 3.076 1.591 -5.738 106 HB2 LYS 17 HB3 LYS 17 5.208 -0.244 -6.846 107 HB3 LYS 17 HB2 LYS 17 4.443 1.027 -7.815 108 HG2 LYS 17 HG3 LYS 17 5.218 2.727 -6.221 109 HG3 LYS 17 HG2 LYS 17 5.974 1.459 -5.233 110 HD2 LYS 17 HD3 LYS 17 7.436 0.854 -7.118 111 HD3 LYS 17 HD2 LYS 17 6.675 2.114 -8.113 112 HE2 LYS 17 HE2 LYS 17 7.440 3.833 -6.524 113 HE3 LYS 17 HE3 LYS 17 8.212 2.577 -5.535 114 HZ1 LYS 17 HZ1 LYS 17 9.780 3.650 -6.989 115 HZ2 LYS 17 HZ2 LYS 17 8.905 3.233 -8.323 116 HZ3 LYS 17 HZ3 LYS 17 9.623 2.062 -7.410 117 H PHE 18 H PHE 18 2.677 -1.865 -5.883 118 HA PHE 18 HA PHE 18 1.181 -1.905 -8.384 119 HB2 PHE 18 HB2 PHE 18 1.552 -3.901 -6.139 120 HB3 PHE 18 HB3 PHE 18 0.523 -4.225 -7.544 121 HD1 PHE 18 HD1 PHE 18 3.964 -3.831 -6.346 122 HD2 PHE 18 HD2 PHE 18 1.512 -4.556 -9.754 123 HE1 PHE 18 HE1 PHE 18 5.935 -4.594 -7.601 124 HE2 PHE 18 HE2 PHE 18 3.481 -5.319 -11.010 125 HZ PHE 18 HZ PHE 18 5.695 -5.341 -9.935 126 H GLY 19 H GLY 19 0.469 -0.702 -5.343 127 HA2 GLY 19 HA3 GLY 19 -1.587 0.368 -4.819 128 HA3 GLY 19 HA2 GLY 19 -2.423 -0.698 -5.965 129 H PHE 20 H PHE 20 -0.245 -1.389 -3.193 130 HA PHE 20 HA PHE 20 -2.527 -2.762 -1.853 131 HB2 PHE 20 HB3 PHE 20 0.180 -3.987 -2.459 132 HB3 PHE 20 HB2 PHE 20 -0.937 -4.635 -1.245 133 HD1 PHE 20 HD1 PHE 20 -2.983 -5.751 -1.899 134 HD2 PHE 20 HD2 PHE 20 -0.349 -4.150 -4.839 135 HE1 PHE 20 HE1 PHE 20 -4.154 -7.028 -3.641 136 HE2 PHE 20 HE2 PHE 20 -1.517 -5.428 -6.584 137 HZ PHE 20 HZ PHE 20 -3.421 -6.872 -5.985 138 H CYS 21 H CYS 21 -2.087 -3.328 0.421 139 HA CYS 21 HA CYS 21 -0.105 -1.487 1.687 140 HB2 CYS 21 HB3 CYS 21 -2.853 -1.117 1.713 141 HB3 CYS 21 HB2 CYS 21 -2.544 -1.955 3.242 142 HG CYS 21 HG CYS 21 -0.290 0.104 3.645 143 H GLY 22 H GLY 22 0.794 -2.161 3.658 144 HA2 GLY 22 HA2 GLY 22 0.033 -4.412 5.159 145 HA3 GLY 22 HA3 GLY 22 1.142 -5.001 3.905 146 H SER 23 H SER 23 1.803 -5.320 6.529 147 HA SER 23 HA SER 23 3.937 -3.264 6.936 148 HB2 SER 23 HB2 SER 23 2.109 -3.271 8.669 149 HB3 SER 23 HB3 SER 23 2.591 -4.927 9.094 150 HG SER 23 HG SER 23 3.601 -3.338 10.428 151 H GLY 24 H GLY 24 5.968 -3.941 7.601 152 HA2 GLY 24 HA2 GLY 24 7.452 -5.724 8.369 153 HA3 GLY 24 HA3 GLY 24 6.448 -6.888 7.486 154 HA PRO 25 HA PRO 25 10.051 -5.480 4.781 155 HB2 PRO 25 HB2 PRO 25 11.278 -8.134 4.978 156 HB3 PRO 25 HB3 PRO 25 11.937 -6.558 5.500 157 HG2 PRO 25 HG3 PRO 25 11.204 -8.557 7.217 158 HG3 PRO 25 HG2 PRO 25 11.212 -6.824 7.646 159 HD2 PRO 25 HD2 PRO 25 8.895 -8.584 6.844 160 HD3 PRO 25 HD3 PRO 25 8.994 -7.333 8.124 161 H ALA 26 H ALA 26 7.792 -5.842 3.676 162 HA ALA 26 HA ALA 26 8.250 -7.681 1.413 163 HB1 ALA 26 HB1 ALA 26 6.909 -9.039 2.984 164 HB2 ALA 26 HB2 ALA 26 5.675 -7.757 3.032 165 HB3 ALA 26 HB3 ALA 26 5.989 -8.633 1.515 166 H TYR 27 H TYR 27 6.137 -5.296 2.978 167 HA TYR 27 HA TYR 27 5.437 -4.147 0.327 168 HB2 TYR 27 HB2 TYR 27 4.321 -3.627 3.105 169 HB3 TYR 27 HB3 TYR 27 3.771 -2.822 1.626 170 HD1 TYR 27 HD1 TYR 27 3.790 -5.983 3.518 171 HD2 TYR 27 HD2 TYR 27 2.381 -4.023 0.007 172 HE1 TYR 27 HE1 TYR 27 2.201 -7.815 3.134 173 HE2 TYR 27 HE2 TYR 27 0.790 -5.855 -0.376 174 HH TYR 27 HH TYR 27 0.992 -8.795 1.038 175 H CYS 28 H CYS 28 7.640 -3.816 2.857 176 HA CYS 28 HA CYS 28 8.231 -1.005 2.054 177 HB2 CYS 28 HB3 CYS 28 7.755 -2.128 4.720 178 HB3 CYS 28 HB2 CYS 28 9.300 -1.271 4.591 179 HG CYS 28 HG CYS 28 8.176 1.191 3.775 180 H GLY 29 H GLY 29 9.517 -4.099 3.298 181 HA2 GLY 29 HA2 GLY 29 12.253 -3.231 2.538 182 HA3 GLY 29 HA3 GLY 29 11.840 -4.641 3.534 183 H GLY 30 H GLY 30 12.236 -3.358 0.309 184 HA2 GLY 30 HA3 GLY 30 12.122 -6.154 -0.735 185 HA3 GLY 30 HA2 GLY 30 11.339 -4.821 -1.603 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -10.707 -1.407 3.671 2 H2 ALA 1 H2 ALA 1 -10.665 -0.622 5.120 3 H3 ALA 1 H3 ALA 1 -10.835 -2.262 5.076 4 HA ALA 1 HA ALA 1 -8.473 -0.739 4.215 5 HB1 ALA 1 HB1 ALA 1 -8.768 -0.823 6.661 6 HB2 ALA 1 HB2 ALA 1 -7.355 -1.767 6.131 7 HB3 ALA 1 HB3 ALA 1 -8.863 -2.599 6.582 8 H GLY 2 H GLY 2 -6.858 -1.835 3.204 9 HA2 GLY 2 HA2 GLY 2 -6.126 -4.389 3.015 10 HA3 GLY 2 HA3 GLY 2 -7.636 -4.462 2.087 11 H GLU 3 H GLU 3 -7.718 -2.306 0.569 12 HA GLU 3 HA GLU 3 -5.308 -2.596 -1.154 13 HB2 GLU 3 HB2 GLU 3 -8.147 -1.706 -1.700 14 HB3 GLU 3 HB3 GLU 3 -6.838 -1.461 -2.868 15 HG2 GLU 3 HG3 GLU 3 -6.446 -3.897 -2.923 16 HG3 GLU 3 HG2 GLU 3 -7.766 -4.126 -1.759 17 H CYS 4 H CYS 4 -4.305 -0.803 -2.106 18 HA CYS 4 HA CYS 4 -4.442 1.640 -0.421 19 HB2 CYS 4 HB2 CYS 4 -2.293 0.290 -0.970 20 HB3 CYS 4 HB3 CYS 4 -2.387 1.071 -2.557 21 HG CYS 4 HG CYS 4 -2.709 3.455 -0.282 22 H VAL 5 H VAL 5 -4.519 3.732 -1.323 23 HA VAL 5 HA VAL 5 -5.684 3.814 -4.076 24 HB VAL 5 HB VAL 5 -6.314 5.864 -1.927 25 HG11 VAL 5 HG11 VAL 5 -6.761 6.474 -4.282 26 HG12 VAL 5 HG12 VAL 5 -7.811 5.046 -4.440 27 HG13 VAL 5 HG13 VAL 5 -8.255 6.357 -3.321 28 HG21 VAL 5 HG21 VAL 5 -8.580 4.573 -1.832 29 HG22 VAL 5 HG22 VAL 5 -7.615 3.190 -2.398 30 HG23 VAL 5 HG23 VAL 5 -7.202 3.994 -0.865 31 H ARG 6 H ARG 6 -4.219 4.547 -5.425 32 HA ARG 6 HA ARG 6 -2.537 5.772 -6.394 33 HB2 ARG 6 HB3 ARG 6 -3.882 7.929 -4.750 34 HB3 ARG 6 HB2 ARG 6 -2.560 8.267 -5.881 35 HG2 ARG 6 HG3 ARG 6 -3.894 7.334 -7.728 36 HG3 ARG 6 HG2 ARG 6 -5.222 7.003 -6.596 37 HD2 ARG 6 HD2 ARG 6 -5.399 9.401 -6.091 38 HD3 ARG 6 HD3 ARG 6 -4.068 9.742 -7.215 39 HE ARG 6 HE ARG 6 -6.106 8.301 -8.592 40 HH11 ARG 6 HH11 ARG 6 -5.536 11.507 -7.188 41 HH12 ARG 6 HH12 ARG 6 -6.635 12.302 -8.294 42 HH21 ARG 6 HH21 ARG 6 -7.513 9.364 -9.999 43 HH22 ARG 6 HH22 ARG 6 -7.747 11.094 -9.877 44 H GLY 7 H GLY 7 -1.891 4.390 -3.846 45 HA2 GLY 7 HA3 GLY 7 0.227 4.071 -2.864 46 HA3 GLY 7 HA2 GLY 7 0.729 5.668 -3.448 47 H ARG 8 H ARG 8 -2.270 5.210 -1.673 48 HA ARG 8 HA ARG 8 -1.010 6.259 0.813 49 HB2 ARG 8 HB2 ARG 8 -3.353 7.478 -0.671 50 HB3 ARG 8 HB3 ARG 8 -3.058 7.778 1.051 51 HG2 ARG 8 HG2 ARG 8 -0.843 8.714 0.497 52 HG3 ARG 8 HG3 ARG 8 -1.159 8.428 -1.228 53 HD2 ARG 8 HD3 ARG 8 -3.109 9.933 -1.115 54 HD3 ARG 8 HD2 ARG 8 -2.788 10.214 0.608 55 HE ARG 8 HE ARG 8 -0.443 10.842 -0.878 56 HH11 ARG 8 HH11 ARG 8 -3.716 12.092 -0.336 57 HH12 ARG 8 HH12 ARG 8 -3.250 13.747 -0.660 58 HH21 ARG 8 HH21 ARG 8 0.116 12.987 -1.288 59 HH22 ARG 8 HH22 ARG 8 -1.091 14.250 -1.196 60 H CYS 9 H CYS 9 -1.453 4.898 2.380 61 HA CYS 9 HA CYS 9 -4.206 3.788 2.595 62 HB2 CYS 9 HB2 CYS 9 -2.510 2.180 1.482 63 HB3 CYS 9 HB3 CYS 9 -1.779 2.053 3.090 64 HG CYS 9 HG CYS 9 -4.677 1.414 4.012 65 HA PRO 10 HA PRO 10 -3.216 5.201 6.764 66 HB2 PRO 10 HB2 PRO 10 -5.742 5.161 7.792 67 HB3 PRO 10 HB3 PRO 10 -5.226 6.392 6.603 68 HG2 PRO 10 HG3 PRO 10 -6.827 3.889 6.188 69 HG3 PRO 10 HG2 PRO 10 -7.076 5.522 5.511 70 HD2 PRO 10 HD3 PRO 10 -5.847 3.435 4.172 71 HD3 PRO 10 HD2 PRO 10 -5.573 5.165 3.805 72 H GLY 11 H GLY 11 -4.606 4.309 9.044 73 HA2 GLY 11 HA3 GLY 11 -5.123 2.355 10.309 74 HA3 GLY 11 HA2 GLY 11 -4.420 1.352 9.027 75 H GLY 12 H GLY 12 -1.981 3.018 8.848 76 HA2 GLY 12 HA2 GLY 12 -0.121 3.565 10.318 77 HA3 GLY 12 HA3 GLY 12 -0.723 2.365 11.477 78 H LEU 13 H LEU 13 -0.387 1.981 7.962 79 HA LEU 13 HA LEU 13 1.904 0.142 8.391 80 HB2 LEU 13 HB2 LEU 13 0.869 -1.448 6.727 81 HB3 LEU 13 HB3 LEU 13 0.134 -1.414 8.331 82 HG LEU 13 HG LEU 13 -1.066 0.167 6.054 83 HD11 LEU 13 HD11 LEU 13 -2.427 -2.330 6.420 84 HD12 LEU 13 HD12 LEU 13 -1.665 -1.677 4.949 85 HD13 LEU 13 HD13 LEU 13 -0.709 -2.658 6.087 86 HD21 LEU 13 HD21 LEU 13 -2.151 -1.095 8.596 87 HD22 LEU 13 HD22 LEU 13 -1.992 0.640 8.231 88 HD23 LEU 13 HD23 LEU 13 -3.168 -0.353 7.337 89 H CYS 14 H CYS 14 2.303 -0.719 5.774 90 HA CYS 14 HA CYS 14 3.006 1.878 4.478 91 HB2 CYS 14 HB2 CYS 14 4.825 0.275 5.234 92 HB3 CYS 14 HB3 CYS 14 4.270 -0.826 3.963 93 HG CYS 14 HG CYS 14 4.625 1.784 2.206 94 H CYS 15 H CYS 15 3.106 1.917 2.116 95 HA CYS 15 HA CYS 15 0.949 0.237 0.902 96 HB2 CYS 15 HB2 CYS 15 0.200 2.523 1.148 97 HB3 CYS 15 HB3 CYS 15 1.681 3.142 0.403 98 HG CYS 15 HG CYS 15 1.059 2.042 -2.186 99 H SER 16 H SER 16 1.461 -0.944 -0.807 100 HA SER 16 HA SER 16 4.180 -0.737 -1.937 101 HB2 SER 16 HB2 SER 16 3.128 -2.940 -1.293 102 HB3 SER 16 HB3 SER 16 1.976 -2.714 -2.627 103 HG SER 16 HG SER 16 3.811 -3.974 -3.240 104 H LYS 17 H LYS 17 4.685 -0.274 -4.018 105 HA LYS 17 HA LYS 17 3.227 1.691 -5.400 106 HB2 LYS 17 HB2 LYS 17 5.408 -0.199 -6.284 107 HB3 LYS 17 HB3 LYS 17 4.746 1.042 -7.361 108 HG2 LYS 17 HG3 LYS 17 5.410 2.787 -5.750 109 HG3 LYS 17 HG2 LYS 17 6.067 1.537 -4.673 110 HD2 LYS 17 HD2 LYS 17 7.660 0.862 -6.423 111 HD3 LYS 17 HD3 LYS 17 7.009 2.113 -7.502 112 HE2 LYS 17 HE2 LYS 17 7.685 3.851 -5.895 113 HE3 LYS 17 HE3 LYS 17 8.331 2.603 -4.810 114 HZ1 LYS 17 HZ1 LYS 17 10.050 3.599 -6.142 115 HZ2 LYS 17 HZ2 LYS 17 9.889 2.006 -6.536 116 HZ3 LYS 17 HZ3 LYS 17 9.288 3.169 -7.540 117 H PHE 18 H PHE 18 2.783 -1.764 -5.529 118 HA PHE 18 HA PHE 18 1.466 -1.802 -8.132 119 HB2 PHE 18 HB2 PHE 18 1.644 -3.802 -5.864 120 HB3 PHE 18 HB3 PHE 18 0.753 -4.117 -7.363 121 HD1 PHE 18 HD1 PHE 18 4.069 -3.723 -5.844 122 HD2 PHE 18 HD2 PHE 18 1.943 -4.464 -9.462 123 HE1 PHE 18 HE1 PHE 18 6.148 -4.490 -6.907 124 HE2 PHE 18 HE2 PHE 18 4.021 -5.231 -10.527 125 HZ PHE 18 HZ PHE 18 6.127 -5.245 -9.250 126 H GLY 19 H GLY 19 0.561 -0.579 -5.155 127 HA2 GLY 19 HA2 GLY 19 -1.514 0.491 -4.755 128 HA3 GLY 19 HA3 GLY 19 -2.286 -0.555 -5.963 129 H PHE 20 H PHE 20 -0.293 -1.284 -3.065 130 HA PHE 20 HA PHE 20 -2.662 -2.639 -1.865 131 HB2 PHE 20 HB2 PHE 20 0.048 -3.889 -2.380 132 HB3 PHE 20 HB3 PHE 20 -1.092 -4.537 -1.189 133 HD1 PHE 20 HD1 PHE 20 -0.396 -4.062 -4.760 134 HD2 PHE 20 HD2 PHE 20 -3.156 -5.616 -1.909 135 HE1 PHE 20 HE1 PHE 20 -1.523 -5.323 -6.541 136 HE2 PHE 20 HE2 PHE 20 -4.284 -6.879 -3.689 137 HZ PHE 20 HZ PHE 20 -3.470 -6.734 -6.008 138 H CYS 21 H CYS 21 -2.268 -3.306 0.428 139 HA CYS 21 HA CYS 21 -0.509 -1.309 1.798 140 HB2 CYS 21 HB2 CYS 21 -3.035 -2.516 2.940 141 HB3 CYS 21 HB3 CYS 21 -2.118 -1.127 3.544 142 HG CYS 21 HG CYS 21 -3.726 -1.029 0.471 143 H GLY 22 H GLY 22 0.511 -1.950 3.760 144 HA2 GLY 22 HA2 GLY 22 0.317 -4.365 5.096 145 HA3 GLY 22 HA3 GLY 22 1.381 -4.721 3.721 146 H SER 23 H SER 23 1.985 -4.796 6.565 147 HA SER 23 HA SER 23 3.960 -2.569 6.783 148 HB2 SER 23 HB2 SER 23 2.247 -2.830 8.613 149 HB3 SER 23 HB3 SER 23 2.964 -4.413 8.985 150 HG SER 23 HG SER 23 3.829 -2.717 10.288 151 H GLY 24 H GLY 24 6.103 -2.962 7.157 152 HA2 GLY 24 HA2 GLY 24 7.971 -4.355 7.677 153 HA3 GLY 24 HA3 GLY 24 6.994 -5.791 7.316 154 HA PRO 25 HA PRO 25 9.644 -4.703 3.583 155 HB2 PRO 25 HB2 PRO 25 11.189 -7.166 3.939 156 HB3 PRO 25 HB3 PRO 25 11.758 -5.474 4.009 157 HG2 PRO 25 HG3 PRO 25 11.661 -7.153 6.170 158 HG3 PRO 25 HG2 PRO 25 11.569 -5.373 6.279 159 HD2 PRO 25 HD3 PRO 25 9.350 -7.412 6.352 160 HD3 PRO 25 HD2 PRO 25 9.579 -5.951 7.365 161 H ALA 26 H ALA 26 7.251 -5.438 3.131 162 HA ALA 26 HA ALA 26 7.425 -7.750 1.278 163 HB1 ALA 26 HB1 ALA 26 6.433 -8.652 3.353 164 HB2 ALA 26 HB2 ALA 26 5.259 -8.635 2.016 165 HB3 ALA 26 HB3 ALA 26 5.173 -7.396 3.291 166 H TYR 27 H TYR 27 5.443 -5.080 2.542 167 HA TYR 27 HA TYR 27 4.506 -4.523 -0.239 168 HB2 TYR 27 HB2 TYR 27 3.261 -3.941 2.463 169 HB3 TYR 27 HB3 TYR 27 2.689 -3.199 0.959 170 HD1 TYR 27 HD1 TYR 27 2.874 -6.303 2.919 171 HD2 TYR 27 HD2 TYR 27 1.526 -4.557 -0.728 172 HE1 TYR 27 HE1 TYR 27 1.462 -8.268 2.501 173 HE2 TYR 27 HE2 TYR 27 0.114 -6.522 -1.147 174 HH TYR 27 HH TYR 27 0.466 -9.399 0.367 175 H CYS 28 H CYS 28 6.674 -3.585 2.113 176 HA CYS 28 HA CYS 28 6.594 -0.723 1.287 177 HB2 CYS 28 HB2 CYS 28 6.589 -1.709 3.802 178 HB3 CYS 28 HB3 CYS 28 8.336 -1.582 3.535 179 HG CYS 28 HG CYS 28 8.454 0.982 4.097 180 H GLY 29 H GLY 29 8.756 -3.533 1.755 181 HA2 GLY 29 HA2 GLY 29 10.777 -2.109 0.072 182 HA3 GLY 29 HA3 GLY 29 11.187 -3.288 1.333 183 H GLY 30 H GLY 30 11.408 -2.962 -1.795 184 HA2 GLY 30 HA2 GLY 30 11.054 -5.847 -2.282 185 HA3 GLY 30 HA3 GLY 30 10.102 -4.757 -3.309 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -7.372 1.383 5.104 2 H2 ALA 1 H2 ALA 1 -8.421 0.773 6.220 3 H3 ALA 1 H3 ALA 1 -7.078 1.592 6.713 4 HA ALA 1 HA ALA 1 -5.635 -0.085 5.849 5 HB1 ALA 1 HB1 ALA 1 -6.433 -0.269 8.175 6 HB2 ALA 1 HB2 ALA 1 -6.179 -1.867 7.434 7 HB3 ALA 1 HB3 ALA 1 -7.828 -1.222 7.615 8 H GLY 2 H GLY 2 -5.263 -1.585 4.362 9 HA2 GLY 2 HA3 GLY 2 -5.838 -3.564 3.127 10 HA3 GLY 2 HA2 GLY 2 -7.556 -3.164 3.322 11 H GLU 3 H GLU 3 -4.813 -3.004 1.315 12 HA GLU 3 HA GLU 3 -4.441 -2.261 -0.826 13 HB2 GLU 3 HB2 GLU 3 -6.939 -3.166 -0.966 14 HB3 GLU 3 HB3 GLU 3 -7.292 -1.456 -1.266 15 HG2 GLU 3 HG3 GLU 3 -5.708 -1.473 -3.160 16 HG3 GLU 3 HG2 GLU 3 -5.372 -3.187 -2.852 17 H CYS 4 H CYS 4 -3.898 -0.435 -1.964 18 HA CYS 4 HA CYS 4 -4.255 2.098 -0.468 19 HB2 CYS 4 HB3 CYS 4 -2.444 1.367 -2.791 20 HB3 CYS 4 HB2 CYS 4 -2.485 2.944 -1.985 21 HG CYS 4 HG CYS 4 -2.032 0.539 0.299 22 H VAL 5 H VAL 5 -4.984 4.007 -1.379 23 HA VAL 5 HA VAL 5 -6.409 3.740 -3.990 24 HB VAL 5 HB VAL 5 -7.486 5.437 -1.711 25 HG11 VAL 5 HG11 VAL 5 -8.261 5.946 -4.003 26 HG12 VAL 5 HG12 VAL 5 -8.834 4.269 -4.169 27 HG13 VAL 5 HG13 VAL 5 -9.577 5.349 -2.965 28 HG21 VAL 5 HG21 VAL 5 -9.238 3.509 -1.549 29 HG22 VAL 5 HG22 VAL 5 -7.686 3.358 -0.690 30 HG23 VAL 5 HG23 VAL 5 -7.936 2.507 -2.233 31 H ARG 6 H ARG 6 -5.541 5.025 -5.427 32 HA ARG 6 HA ARG 6 -4.483 6.780 -6.458 33 HB2 ARG 6 HB2 ARG 6 -5.933 8.288 -4.275 34 HB3 ARG 6 HB3 ARG 6 -4.976 9.111 -5.519 35 HG2 ARG 6 HG2 ARG 6 -6.396 8.084 -7.264 36 HG3 ARG 6 HG3 ARG 6 -7.367 7.302 -5.998 37 HD2 ARG 6 HD3 ARG 6 -7.972 9.514 -5.097 38 HD3 ARG 6 HD2 ARG 6 -6.990 10.294 -6.353 39 HE ARG 6 HE ARG 6 -8.920 8.553 -7.556 40 HH11 ARG 6 HH11 ARG 6 -8.681 11.693 -5.929 41 HH12 ARG 6 HH12 ARG 6 -10.087 12.340 -6.744 42 HH21 ARG 6 HH21 ARG 6 -10.727 9.424 -8.586 43 HH22 ARG 6 HH22 ARG 6 -11.239 11.061 -8.240 44 H GLY 7 H GLY 7 -3.064 5.327 -4.261 45 HA2 GLY 7 HA3 GLY 7 -0.785 5.416 -3.689 46 HA3 GLY 7 HA2 GLY 7 -0.740 7.121 -4.172 47 H ARG 8 H ARG 8 -3.293 6.191 -2.019 48 HA ARG 8 HA ARG 8 -1.725 7.169 0.326 49 HB2 ARG 8 HB2 ARG 8 -4.443 8.103 -0.620 50 HB3 ARG 8 HB3 ARG 8 -3.907 8.307 1.057 51 HG2 ARG 8 HG2 ARG 8 -1.963 9.614 0.252 52 HG3 ARG 8 HG3 ARG 8 -2.555 9.440 -1.414 53 HD2 ARG 8 HD2 ARG 8 -4.626 10.613 -0.806 54 HD3 ARG 8 HD3 ARG 8 -4.056 10.770 0.868 55 HE ARG 8 HE ARG 8 -2.148 11.894 -0.964 56 HH11 ARG 8 HH11 ARG 8 -5.290 12.575 0.531 57 HH12 ARG 8 HH12 ARG 8 -5.093 14.308 0.402 58 HH21 ARG 8 HH21 ARG 8 -1.933 14.134 -1.112 59 HH22 ARG 8 HH22 ARG 8 -3.202 15.185 -0.523 60 H CYS 9 H CYS 9 -1.730 5.763 1.910 61 HA CYS 9 HA CYS 9 -4.171 4.138 2.417 62 HB2 CYS 9 HB2 CYS 9 -2.638 2.763 1.057 63 HB3 CYS 9 HB3 CYS 9 -1.353 3.011 2.249 64 HG CYS 9 HG CYS 9 -4.293 1.611 3.361 65 HA PRO 10 HA PRO 10 -2.829 5.674 6.462 66 HB2 PRO 10 HB2 PRO 10 -5.240 5.556 7.723 67 HB3 PRO 10 HB3 PRO 10 -4.881 6.804 6.494 68 HG2 PRO 10 HG2 PRO 10 -6.459 4.268 6.235 69 HG3 PRO 10 HG3 PRO 10 -6.787 5.891 5.568 70 HD2 PRO 10 HD3 PRO 10 -5.629 3.789 4.161 71 HD3 PRO 10 HD2 PRO 10 -5.482 5.517 3.722 72 H GLY 11 H GLY 11 -3.961 4.718 8.850 73 HA2 GLY 11 HA2 GLY 11 -4.300 2.750 10.139 74 HA3 GLY 11 HA3 GLY 11 -3.717 1.765 8.785 75 H GLY 12 H GLY 12 -1.335 3.473 8.371 76 HA2 GLY 12 HA2 GLY 12 0.709 3.990 9.488 77 HA3 GLY 12 HA3 GLY 12 0.183 3.033 10.885 78 H LEU 13 H LEU 13 0.290 2.197 7.414 79 HA LEU 13 HA LEU 13 2.402 0.190 8.008 80 HB2 LEU 13 HB2 LEU 13 1.200 -1.437 6.515 81 HB3 LEU 13 HB3 LEU 13 0.455 -1.153 8.089 82 HG LEU 13 HG LEU 13 -0.534 0.320 5.648 83 HD11 LEU 13 HD11 LEU 13 -2.156 -1.982 6.192 84 HD12 LEU 13 HD12 LEU 13 -1.316 -1.535 4.688 85 HD13 LEU 13 HD13 LEU 13 -0.479 -2.511 5.918 86 HD21 LEU 13 HD21 LEU 13 -1.774 -0.589 8.268 87 HD22 LEU 13 HD22 LEU 13 -1.444 1.079 7.743 88 HD23 LEU 13 HD23 LEU 13 -2.701 0.121 6.924 89 H CYS 14 H CYS 14 2.764 -0.942 5.545 90 HA CYS 14 HA CYS 14 3.811 1.386 4.026 91 HB2 CYS 14 HB2 CYS 14 4.461 -1.571 3.932 92 HB3 CYS 14 HB3 CYS 14 5.174 -0.364 2.849 93 HG CYS 14 HG CYS 14 6.035 1.115 5.391 94 H CYS 15 H CYS 15 3.749 1.417 1.709 95 HA CYS 15 HA CYS 15 1.426 -0.049 0.539 96 HB2 CYS 15 HB2 CYS 15 0.768 2.259 1.086 97 HB3 CYS 15 HB3 CYS 15 2.123 2.880 0.130 98 HG CYS 15 HG CYS 15 1.017 2.591 -2.299 99 H SER 16 H SER 16 1.895 -1.133 -1.232 100 HA SER 16 HA SER 16 4.508 -0.707 -2.545 101 HB2 SER 16 HB3 SER 16 3.700 -3.001 -1.906 102 HB3 SER 16 HB2 SER 16 2.402 -2.823 -3.106 103 HG SER 16 HG SER 16 4.248 -3.919 -3.952 104 H LYS 17 H LYS 17 4.808 -0.216 -4.671 105 HA LYS 17 HA LYS 17 3.133 1.704 -5.869 106 HB2 LYS 17 HB2 LYS 17 5.327 -0.042 -6.986 107 HB3 LYS 17 HB3 LYS 17 4.508 1.186 -7.967 108 HG2 LYS 17 HG3 LYS 17 5.220 2.926 -6.370 109 HG3 LYS 17 HG2 LYS 17 6.036 1.688 -5.392 110 HD2 LYS 17 HD2 LYS 17 7.503 1.146 -7.289 111 HD3 LYS 17 HD3 LYS 17 6.687 2.374 -8.279 112 HE2 LYS 17 HE3 LYS 17 8.062 3.014 -5.655 113 HE3 LYS 17 HE2 LYS 17 8.898 3.056 -7.220 114 HZ1 LYS 17 HZ1 LYS 17 8.084 5.217 -6.591 115 HZ2 LYS 17 HZ2 LYS 17 7.316 4.701 -7.956 116 HZ3 LYS 17 HZ3 LYS 17 6.533 4.663 -6.505 117 H PHE 18 H PHE 18 2.849 -1.761 -6.018 118 HA PHE 18 HA PHE 18 1.345 -1.849 -8.513 119 HB2 PHE 18 HB2 PHE 18 1.792 -3.837 -6.274 120 HB3 PHE 18 HB3 PHE 18 0.776 -4.193 -7.681 121 HD1 PHE 18 HD1 PHE 18 4.202 -3.670 -6.481 122 HD2 PHE 18 HD2 PHE 18 1.776 -4.492 -9.886 123 HE1 PHE 18 HE1 PHE 18 6.199 -4.356 -7.737 124 HE2 PHE 18 HE2 PHE 18 3.772 -5.179 -11.144 125 HZ PHE 18 HZ PHE 18 5.988 -5.115 -10.070 126 H GLY 19 H GLY 19 0.604 -0.684 -5.462 127 HA2 GLY 19 HA2 GLY 19 -1.483 0.310 -4.931 128 HA3 GLY 19 HA3 GLY 19 -2.292 -0.783 -6.071 129 H PHE 20 H PHE 20 -0.065 -1.385 -3.315 130 HA PHE 20 HA PHE 20 -2.281 -2.848 -1.957 131 HB2 PHE 20 HB2 PHE 20 0.474 -3.935 -2.585 132 HB3 PHE 20 HB3 PHE 20 -0.569 -4.629 -1.332 133 HD1 PHE 20 HD1 PHE 20 -0.078 -4.169 -4.942 134 HD2 PHE 20 HD2 PHE 20 -2.580 -5.858 -1.936 135 HE1 PHE 20 HE1 PHE 20 -1.204 -5.532 -6.647 136 HE2 PHE 20 HE2 PHE 20 -3.710 -7.220 -3.640 137 HZ PHE 20 HZ PHE 20 -3.022 -7.061 -5.999 138 H CYS 21 H CYS 21 -1.859 -3.339 0.314 139 HA CYS 21 HA CYS 21 0.089 -1.468 1.585 140 HB2 CYS 21 HB2 CYS 21 -2.625 -1.028 1.525 141 HB3 CYS 21 HB3 CYS 21 -2.429 -1.896 3.056 142 HG CYS 21 HG CYS 21 -0.092 0.137 3.488 143 H GLY 22 H GLY 22 1.020 -2.154 3.506 144 HA2 GLY 22 HA3 GLY 22 0.166 -4.364 5.059 145 HA3 GLY 22 HA2 GLY 22 1.302 -4.969 3.838 146 H SER 23 H SER 23 1.689 -5.063 6.651 147 HA SER 23 HA SER 23 3.871 -3.069 7.052 148 HB2 SER 23 HB2 SER 23 3.678 -3.702 9.470 149 HB3 SER 23 HB3 SER 23 2.221 -2.939 8.800 150 HG SER 23 HG SER 23 1.744 -4.814 10.058 151 H GLY 24 H GLY 24 5.896 -3.709 7.794 152 HA2 GLY 24 HA2 GLY 24 7.508 -5.347 8.457 153 HA3 GLY 24 HA3 GLY 24 6.461 -6.626 7.815 154 HA PRO 25 HA PRO 25 9.793 -5.515 4.660 155 HB2 PRO 25 HB3 PRO 25 10.961 -8.190 5.008 156 HB3 PRO 25 HB2 PRO 25 11.726 -6.596 5.262 157 HG2 PRO 25 HG2 PRO 25 11.155 -8.332 7.283 158 HG3 PRO 25 HG3 PRO 25 11.192 -6.559 7.487 159 HD2 PRO 25 HD3 PRO 25 8.820 -8.381 7.105 160 HD3 PRO 25 HD2 PRO 25 9.029 -7.018 8.251 161 H ALA 26 H ALA 26 7.406 -5.941 3.821 162 HA ALA 26 HA ALA 26 7.638 -8.067 1.762 163 HB1 ALA 26 HB1 ALA 26 6.262 -9.035 3.569 164 HB2 ALA 26 HB2 ALA 26 5.153 -7.647 3.461 165 HB3 ALA 26 HB3 ALA 26 5.313 -8.769 2.088 166 H TYR 27 H TYR 27 5.798 -5.289 3.006 167 HA TYR 27 HA TYR 27 5.342 -4.400 0.187 168 HB2 TYR 27 HB3 TYR 27 3.746 -3.772 2.699 169 HB3 TYR 27 HB2 TYR 27 3.441 -3.091 1.092 170 HD1 TYR 27 HD1 TYR 27 2.413 -4.439 -0.664 171 HD2 TYR 27 HD2 TYR 27 3.203 -6.122 3.170 172 HE1 TYR 27 HE1 TYR 27 0.966 -6.350 -1.204 173 HE2 TYR 27 HE2 TYR 27 1.758 -8.033 2.631 174 HH TYR 27 HH TYR 27 0.980 -9.186 0.421 175 H CYS 28 H CYS 28 7.262 -3.940 2.831 176 HA CYS 28 HA CYS 28 7.402 -0.992 2.643 177 HB2 CYS 28 HB2 CYS 28 8.876 -2.946 4.431 178 HB3 CYS 28 HB3 CYS 28 8.982 -1.181 4.528 179 HG CYS 28 HG CYS 28 6.850 -3.150 6.082 180 H GLY 29 H GLY 29 9.427 -3.887 2.074 181 HA2 GLY 29 HA2 GLY 29 11.140 -2.197 0.320 182 HA3 GLY 29 HA3 GLY 29 11.894 -3.226 1.554 183 H GLY 30 H GLY 30 13.037 -4.437 0.042 184 HA2 GLY 30 HA3 GLY 30 12.336 -6.873 -0.716 185 HA3 GLY 30 HA2 GLY 30 11.452 -5.955 -1.950 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -6.814 -7.845 5.437 2 H2 ALA 1 H2 ALA 1 -8.232 -7.526 6.217 3 H3 ALA 1 H3 ALA 1 -6.803 -7.008 6.858 4 HA ALA 1 HA ALA 1 -8.011 -6.084 4.344 5 HB1 ALA 1 HB1 ALA 1 -9.160 -5.262 6.365 6 HB2 ALA 1 HB2 ALA 1 -8.317 -3.953 5.503 7 HB3 ALA 1 HB3 ALA 1 -7.611 -4.641 6.985 8 H GLY 2 H GLY 2 -6.729 -5.076 2.948 9 HA2 GLY 2 HA2 GLY 2 -4.347 -3.656 3.718 10 HA3 GLY 2 HA3 GLY 2 -3.938 -5.251 3.056 11 H GLU 3 H GLU 3 -6.039 -2.438 2.340 12 HA GLU 3 HA GLU 3 -5.253 -2.717 -0.534 13 HB2 GLU 3 HB2 GLU 3 -7.888 -1.904 0.711 14 HB3 GLU 3 HB3 GLU 3 -7.481 -1.529 -0.972 15 HG2 GLU 3 HG3 GLU 3 -7.200 -3.945 -1.422 16 HG3 GLU 3 HG2 GLU 3 -7.640 -4.295 0.260 17 H CYS 4 H CYS 4 -4.583 -0.952 -1.621 18 HA CYS 4 HA CYS 4 -4.259 1.548 -0.012 19 HB2 CYS 4 HB2 CYS 4 -2.216 0.239 -0.842 20 HB3 CYS 4 HB3 CYS 4 -2.670 0.772 -2.468 21 HG CYS 4 HG CYS 4 -2.664 3.501 -0.646 22 H VAL 5 H VAL 5 -4.853 3.499 -0.831 23 HA VAL 5 HA VAL 5 -6.514 3.397 -3.305 24 HB VAL 5 HB VAL 5 -6.572 5.639 -1.254 25 HG11 VAL 5 HG11 VAL 5 -7.581 6.078 -3.469 26 HG12 VAL 5 HG12 VAL 5 -8.650 4.673 -3.249 27 HG13 VAL 5 HG13 VAL 5 -8.794 6.079 -2.167 28 HG21 VAL 5 HG21 VAL 5 -8.759 4.422 -0.504 29 HG22 VAL 5 HG22 VAL 5 -7.968 2.973 -1.169 30 HG23 VAL 5 HG23 VAL 5 -7.190 3.888 0.145 31 H ARG 6 H ARG 6 -5.048 3.686 -4.898 32 HA ARG 6 HA ARG 6 -3.558 4.714 -6.310 33 HB2 ARG 6 HB2 ARG 6 -4.914 7.132 -5.104 34 HB3 ARG 6 HB3 ARG 6 -3.711 7.270 -6.398 35 HG2 ARG 6 HG2 ARG 6 -5.116 5.837 -7.838 36 HG3 ARG 6 HG3 ARG 6 -6.326 5.733 -6.542 37 HD2 ARG 6 HD2 ARG 6 -6.632 8.168 -6.623 38 HD3 ARG 6 HD3 ARG 6 -5.403 8.289 -7.899 39 HE ARG 6 HE ARG 6 -7.522 6.469 -8.630 40 HH11 ARG 6 HH11 ARG 6 -6.724 9.916 -8.433 41 HH12 ARG 6 HH12 ARG 6 -7.867 10.359 -9.681 42 HH21 ARG 6 HH21 ARG 6 -8.984 7.080 -10.234 43 HH22 ARG 6 HH22 ARG 6 -9.140 8.761 -10.695 44 H GLY 7 H GLY 7 -2.617 4.047 -3.567 45 HA2 GLY 7 HA3 GLY 7 -0.395 4.066 -2.768 46 HA3 GLY 7 HA2 GLY 7 -0.064 5.507 -3.747 47 H ARG 8 H ARG 8 -2.588 4.867 -1.286 48 HA ARG 8 HA ARG 8 -1.373 7.003 0.403 49 HB2 ARG 8 HB3 ARG 8 -4.262 6.784 -0.483 50 HB3 ARG 8 HB2 ARG 8 -3.762 7.720 0.936 51 HG2 ARG 8 HG2 ARG 8 -2.300 9.099 -0.494 52 HG3 ARG 8 HG3 ARG 8 -2.838 8.183 -1.917 53 HD2 ARG 8 HD2 ARG 8 -4.146 10.151 -1.905 54 HD3 ARG 8 HD3 ARG 8 -5.214 8.877 -1.284 55 HE ARG 8 HE ARG 8 -4.039 10.023 0.970 56 HH11 ARG 8 HH11 ARG 8 -6.057 11.189 -1.703 57 HH12 ARG 8 HH12 ARG 8 -6.789 12.450 -0.737 58 HH21 ARG 8 HH21 ARG 8 -5.008 11.661 2.179 59 HH22 ARG 8 HH22 ARG 8 -6.198 12.715 1.449 60 H CYS 9 H CYS 9 -0.859 6.193 2.276 61 HA CYS 9 HA CYS 9 -2.782 4.439 3.705 62 HB2 CYS 9 HB2 CYS 9 -0.299 3.540 2.551 63 HB3 CYS 9 HB3 CYS 9 -0.179 3.466 4.317 64 HG CYS 9 HG CYS 9 -2.474 1.795 4.626 65 HA PRO 10 HA PRO 10 -1.708 6.992 7.169 66 HB2 PRO 10 HB3 PRO 10 -1.842 5.246 9.308 67 HB3 PRO 10 HB2 PRO 10 -3.285 5.861 8.451 68 HG2 PRO 10 HG2 PRO 10 -1.833 3.247 8.131 69 HG3 PRO 10 HG3 PRO 10 -3.588 3.570 8.227 70 HD2 PRO 10 HD3 PRO 10 -2.324 3.145 5.872 71 HD3 PRO 10 HD2 PRO 10 -3.713 4.265 6.015 72 H GLY 11 H GLY 11 -0.382 6.311 9.599 73 HA2 GLY 11 HA2 GLY 11 2.400 6.075 8.577 74 HA3 GLY 11 HA3 GLY 11 1.913 6.841 10.100 75 H GLY 12 H GLY 12 0.804 3.683 8.923 76 HA2 GLY 12 HA2 GLY 12 2.362 2.418 11.141 77 HA3 GLY 12 HA3 GLY 12 0.691 1.961 10.759 78 H LEU 13 H LEU 13 0.762 1.861 7.999 79 HA LEU 13 HA LEU 13 2.679 -0.376 7.528 80 HB2 LEU 13 HB2 LEU 13 1.012 -1.271 5.930 81 HB3 LEU 13 HB3 LEU 13 0.445 -1.241 7.602 82 HG LEU 13 HG LEU 13 -0.304 1.004 5.743 83 HD11 LEU 13 HD11 LEU 13 -1.406 -1.806 5.748 84 HD12 LEU 13 HD12 LEU 13 -0.916 -0.797 4.366 85 HD13 LEU 13 HD13 LEU 13 -2.403 -0.412 5.266 86 HD21 LEU 13 HD21 LEU 13 -2.490 0.271 7.273 87 HD22 LEU 13 HD22 LEU 13 -1.342 1.576 7.655 88 HD23 LEU 13 HD23 LEU 13 -1.118 -0.041 8.363 89 H CYS 14 H CYS 14 2.640 -0.747 4.883 90 HA CYS 14 HA CYS 14 3.415 1.905 3.730 91 HB2 CYS 14 HB2 CYS 14 4.791 -0.758 3.266 92 HB3 CYS 14 HB3 CYS 14 5.260 0.804 2.574 93 HG CYS 14 HG CYS 14 6.043 1.937 5.064 94 H CYS 15 H CYS 15 3.300 2.102 1.430 95 HA CYS 15 HA CYS 15 1.315 0.230 0.205 96 HB2 CYS 15 HB3 CYS 15 0.386 2.472 0.636 97 HB3 CYS 15 HB2 CYS 15 1.702 3.197 -0.301 98 HG CYS 15 HG CYS 15 0.869 1.832 -2.749 99 H SER 16 H SER 16 1.781 -0.710 -1.658 100 HA SER 16 HA SER 16 4.412 -0.118 -2.894 101 HB2 SER 16 HB2 SER 16 4.019 -2.275 -4.107 102 HB3 SER 16 HB3 SER 16 4.079 -2.440 -2.339 103 HG SER 16 HG SER 16 1.716 -2.295 -3.929 104 H LYS 17 H LYS 17 4.687 0.330 -5.041 105 HA LYS 17 HA LYS 17 2.864 2.080 -6.284 106 HB2 LYS 17 HB2 LYS 17 5.205 0.501 -7.346 107 HB3 LYS 17 HB3 LYS 17 4.287 1.620 -8.369 108 HG2 LYS 17 HG3 LYS 17 4.823 3.463 -6.813 109 HG3 LYS 17 HG2 LYS 17 5.752 2.331 -5.808 110 HD2 LYS 17 HD2 LYS 17 7.263 1.883 -7.697 111 HD3 LYS 17 HD3 LYS 17 6.336 3.011 -8.710 112 HE2 LYS 17 HE2 LYS 17 6.887 4.848 -7.167 113 HE3 LYS 17 HE3 LYS 17 7.811 3.722 -6.151 114 HZ1 LYS 17 HZ1 LYS 17 9.231 4.951 -7.634 115 HZ2 LYS 17 HZ2 LYS 17 9.275 3.347 -8.017 116 HZ3 LYS 17 HZ3 LYS 17 8.416 4.396 -8.956 117 H PHE 18 H PHE 18 2.810 -1.386 -6.313 118 HA PHE 18 HA PHE 18 1.364 -1.676 -8.826 119 HB2 PHE 18 HB2 PHE 18 1.868 -3.531 -6.487 120 HB3 PHE 18 HB3 PHE 18 0.916 -4.008 -7.903 121 HD1 PHE 18 HD1 PHE 18 1.998 -4.334 -10.069 122 HD2 PHE 18 HD2 PHE 18 4.267 -3.243 -6.633 123 HE1 PHE 18 HE1 PHE 18 4.065 -4.958 -11.239 124 HE2 PHE 18 HE2 PHE 18 6.337 -3.865 -7.799 125 HZ PHE 18 HZ PHE 18 6.240 -4.724 -10.105 126 H GLY 19 H GLY 19 0.503 -0.441 -5.827 127 HA2 GLY 19 HA2 GLY 19 -1.643 0.460 -5.372 128 HA3 GLY 19 HA3 GLY 19 -2.371 -0.710 -6.489 129 H PHE 20 H PHE 20 -0.166 -1.126 -3.682 130 HA PHE 20 HA PHE 20 -2.342 -2.626 -2.300 131 HB2 PHE 20 HB3 PHE 20 0.460 -3.651 -2.848 132 HB3 PHE 20 HB2 PHE 20 -0.606 -4.337 -1.610 133 HD1 PHE 20 HD1 PHE 20 -0.037 -3.959 -5.220 134 HD2 PHE 20 HD2 PHE 20 -2.554 -5.639 -2.222 135 HE1 PHE 20 HE1 PHE 20 -1.085 -5.400 -6.910 136 HE2 PHE 20 HE2 PHE 20 -3.607 -7.079 -3.911 137 HZ PHE 20 HZ PHE 20 -2.873 -6.963 -6.260 138 H CYS 21 H CYS 21 -2.072 -2.902 -0.034 139 HA CYS 21 HA CYS 21 -0.018 -1.177 1.253 140 HB2 CYS 21 HB3 CYS 21 -2.915 -0.709 1.180 141 HB3 CYS 21 HB2 CYS 21 -2.268 -0.798 2.826 142 HG CYS 21 HG CYS 21 -0.909 1.317 0.431 143 H GLY 22 H GLY 22 0.923 -2.097 2.963 144 HA2 GLY 22 HA2 GLY 22 -0.496 -3.955 4.686 145 HA3 GLY 22 HA3 GLY 22 0.666 -4.771 3.623 146 H SER 23 H SER 23 1.079 -5.113 6.204 147 HA SER 23 HA SER 23 3.210 -3.158 6.963 148 HB2 SER 23 HB2 SER 23 1.599 -5.039 8.725 149 HB3 SER 23 HB3 SER 23 2.863 -3.922 9.282 150 HG SER 23 HG SER 23 0.587 -3.182 9.416 151 H GLY 24 H GLY 24 5.163 -3.926 7.840 152 HA2 GLY 24 HA3 GLY 24 6.644 -5.727 8.471 153 HA3 GLY 24 HA2 GLY 24 5.699 -6.827 7.450 154 HA PRO 25 HA PRO 25 9.419 -5.211 5.042 155 HB2 PRO 25 HB2 PRO 25 10.726 -7.827 5.188 156 HB3 PRO 25 HB3 PRO 25 11.292 -6.262 5.835 157 HG2 PRO 25 HG3 PRO 25 10.520 -8.381 7.390 158 HG3 PRO 25 HG2 PRO 25 10.454 -6.675 7.914 159 HD2 PRO 25 HD2 PRO 25 8.239 -8.444 6.879 160 HD3 PRO 25 HD3 PRO 25 8.227 -7.263 8.227 161 H ALA 26 H ALA 26 7.239 -5.587 3.783 162 HA ALA 26 HA ALA 26 7.880 -7.411 1.534 163 HB1 ALA 26 HB1 ALA 26 6.324 -8.684 2.971 164 HB2 ALA 26 HB2 ALA 26 5.157 -7.342 2.888 165 HB3 ALA 26 HB3 ALA 26 5.576 -8.249 1.415 166 H TYR 27 H TYR 27 5.664 -4.950 2.841 167 HA TYR 27 HA TYR 27 5.463 -3.735 0.125 168 HB2 TYR 27 HB2 TYR 27 3.765 -3.329 2.613 169 HB3 TYR 27 HB3 TYR 27 3.530 -2.484 1.074 170 HD1 TYR 27 HD1 TYR 27 2.771 -3.788 -0.937 171 HD2 TYR 27 HD2 TYR 27 2.966 -5.566 2.932 172 HE1 TYR 27 HE1 TYR 27 1.327 -5.620 -1.706 173 HE2 TYR 27 HE2 TYR 27 1.524 -7.399 2.163 174 HH TYR 27 HH TYR 27 -0.310 -7.288 -0.542 175 H CYS 28 H CYS 28 7.116 -3.508 3.033 176 HA CYS 28 HA CYS 28 7.428 -0.560 2.897 177 HB2 CYS 28 HB2 CYS 28 8.264 -2.613 4.960 178 HB3 CYS 28 HB3 CYS 28 8.709 -0.900 5.043 179 HG CYS 28 HG CYS 28 6.035 -2.282 6.296 180 H GLY 29 H GLY 29 9.330 -3.588 2.774 181 HA2 GLY 29 HA2 GLY 29 11.710 -2.005 1.961 182 HA3 GLY 29 HA3 GLY 29 11.715 -3.695 2.500 183 H GLY 30 H GLY 30 12.217 -1.772 -0.090 184 HA2 GLY 30 HA2 GLY 30 11.891 -4.023 -1.945 185 HA3 GLY 30 HA3 GLY 30 10.896 -2.600 -2.308 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -8.400 -7.187 4.147 2 H2 ALA 1 H2 ALA 1 -9.218 -6.108 5.088 3 H3 ALA 1 H3 ALA 1 -10.036 -7.037 3.998 4 HA ALA 1 HA ALA 1 -8.967 -5.973 2.163 5 HB1 ALA 1 HB1 ALA 1 -11.082 -5.044 3.026 6 HB2 ALA 1 HB2 ALA 1 -10.163 -3.996 4.133 7 HB3 ALA 1 HB3 ALA 1 -10.019 -3.775 2.372 8 H GLY 2 H GLY 2 -7.225 -5.000 1.372 9 HA2 GLY 2 HA2 GLY 2 -5.697 -3.091 2.980 10 HA3 GLY 2 HA3 GLY 2 -4.865 -4.631 2.687 11 H GLU 3 H GLU 3 -6.552 -1.956 1.034 12 HA GLU 3 HA GLU 3 -4.585 -2.222 -1.200 13 HB2 GLU 3 HB2 GLU 3 -7.576 -1.798 -1.356 14 HB3 GLU 3 HB3 GLU 3 -6.490 -1.375 -2.689 15 HG2 GLU 3 HG2 GLU 3 -5.732 -3.714 -2.807 16 HG3 GLU 3 HG3 GLU 3 -6.822 -4.135 -1.472 17 H CYS 4 H CYS 4 -3.935 -0.328 -2.212 18 HA CYS 4 HA CYS 4 -4.232 2.091 -0.532 19 HB2 CYS 4 HB3 CYS 4 -2.409 1.439 -2.867 20 HB3 CYS 4 HB2 CYS 4 -2.426 2.988 -2.009 21 HG CYS 4 HG CYS 4 -2.058 0.427 0.145 22 H VAL 5 H VAL 5 -4.830 4.112 -1.314 23 HA VAL 5 HA VAL 5 -6.427 4.039 -3.840 24 HB VAL 5 HB VAL 5 -6.963 5.942 -1.530 25 HG11 VAL 5 HG11 VAL 5 -7.884 6.540 -3.745 26 HG12 VAL 5 HG12 VAL 5 -8.739 4.980 -3.797 27 HG13 VAL 5 HG13 VAL 5 -9.161 6.185 -2.557 28 HG21 VAL 5 HG21 VAL 5 -8.983 4.331 -1.135 29 HG22 VAL 5 HG22 VAL 5 -7.397 3.946 -0.425 30 HG23 VAL 5 HG23 VAL 5 -7.934 3.118 -1.906 31 H ARG 6 H ARG 6 -5.250 4.945 -5.375 32 HA ARG 6 HA ARG 6 -3.930 6.406 -6.555 33 HB2 ARG 6 HB2 ARG 6 -5.359 8.319 -4.705 34 HB3 ARG 6 HB3 ARG 6 -4.216 8.894 -5.929 35 HG2 ARG 6 HG3 ARG 6 -6.196 9.073 -7.089 36 HG3 ARG 6 HG2 ARG 6 -5.708 7.429 -7.549 37 HD2 ARG 6 HD2 ARG 6 -7.148 6.505 -5.775 38 HD3 ARG 6 HD3 ARG 6 -7.649 8.147 -5.325 39 HE ARG 6 HE ARG 6 -8.149 7.720 -8.106 40 HH11 ARG 6 HH11 ARG 6 -9.387 6.745 -4.931 41 HH12 ARG 6 HH12 ARG 6 -11.007 6.469 -5.532 42 HH21 ARG 6 HH21 ARG 6 -10.250 7.353 -8.840 43 HH22 ARG 6 HH22 ARG 6 -11.492 6.812 -7.733 44 H GLY 7 H GLY 7 -2.740 5.117 -4.169 45 HA2 GLY 7 HA2 GLY 7 -0.452 5.104 -3.575 46 HA3 GLY 7 HA3 GLY 7 -0.314 6.802 -4.065 47 H ARG 8 H ARG 8 -2.990 5.931 -2.024 48 HA ARG 8 HA ARG 8 -1.514 6.842 0.402 49 HB2 ARG 8 HB2 ARG 8 -4.126 7.930 -0.673 50 HB3 ARG 8 HB3 ARG 8 -3.649 8.109 1.024 51 HG2 ARG 8 HG2 ARG 8 -1.628 9.325 0.328 52 HG3 ARG 8 HG3 ARG 8 -2.097 9.137 -1.374 53 HD2 ARG 8 HD2 ARG 8 -4.162 10.410 -0.941 54 HD3 ARG 8 HD3 ARG 8 -3.691 10.600 0.760 55 HE ARG 8 HE ARG 8 -1.569 11.590 -0.815 56 HH11 ARG 8 HH11 ARG 8 -4.959 12.403 -0.165 57 HH12 ARG 8 HH12 ARG 8 -4.716 14.109 -0.470 58 HH21 ARG 8 HH21 ARG 8 -1.299 13.795 -1.198 59 HH22 ARG 8 HH22 ARG 8 -2.655 14.891 -1.051 60 H CYS 9 H CYS 9 -1.691 5.429 1.973 61 HA CYS 9 HA CYS 9 -4.240 3.921 2.293 62 HB2 CYS 9 HB2 CYS 9 -2.585 2.517 1.062 63 HB3 CYS 9 HB3 CYS 9 -1.479 2.664 2.437 64 HG CYS 9 HG CYS 9 -3.872 1.552 4.079 65 HA PRO 10 HA PRO 10 -3.246 5.412 6.440 66 HB2 PRO 10 HB3 PRO 10 -5.721 5.122 7.544 67 HB3 PRO 10 HB2 PRO 10 -5.362 6.422 6.370 68 HG2 PRO 10 HG2 PRO 10 -6.755 3.794 5.964 69 HG3 PRO 10 HG3 PRO 10 -7.149 5.407 5.308 70 HD2 PRO 10 HD2 PRO 10 -5.792 3.435 3.909 71 HD3 PRO 10 HD3 PRO 10 -5.689 5.187 3.560 72 H GLY 11 H GLY 11 -4.470 4.373 8.747 73 HA2 GLY 11 HA2 GLY 11 -4.763 2.383 10.009 74 HA3 GLY 11 HA3 GLY 11 -4.047 1.441 8.688 75 H GLY 12 H GLY 12 -1.752 3.302 8.425 76 HA2 GLY 12 HA2 GLY 12 0.190 3.927 9.661 77 HA3 GLY 12 HA3 GLY 12 -0.355 2.922 11.017 78 H LEU 13 H LEU 13 -0.053 2.090 7.561 79 HA LEU 13 HA LEU 13 2.182 0.252 8.236 80 HB2 LEU 13 HB3 LEU 13 1.138 -1.496 6.753 81 HB3 LEU 13 HB2 LEU 13 0.339 -1.219 8.301 82 HG LEU 13 HG LEU 13 -0.717 0.122 5.823 83 HD11 LEU 13 HD11 LEU 13 -2.127 -2.324 6.431 84 HD12 LEU 13 HD12 LEU 13 -0.416 -2.674 6.090 85 HD13 LEU 13 HD13 LEU 13 -1.398 -1.793 4.896 86 HD21 LEU 13 HD21 LEU 13 -1.934 -0.857 8.429 87 HD22 LEU 13 HD22 LEU 13 -2.874 -0.199 7.069 88 HD23 LEU 13 HD23 LEU 13 -1.695 0.831 7.916 89 H CYS 14 H CYS 14 2.621 -0.897 5.755 90 HA CYS 14 HA CYS 14 3.591 1.480 4.263 91 HB2 CYS 14 HB2 CYS 14 4.352 -1.448 4.087 92 HB3 CYS 14 HB3 CYS 14 5.075 -0.152 3.121 93 HG CYS 14 HG CYS 14 5.209 -0.047 6.582 94 H CYS 15 H CYS 15 3.569 1.511 1.944 95 HA CYS 15 HA CYS 15 1.274 0.010 0.755 96 HB2 CYS 15 HB2 CYS 15 0.614 2.320 1.193 97 HB3 CYS 15 HB3 CYS 15 2.037 2.920 0.328 98 HG CYS 15 HG CYS 15 1.061 2.709 -2.152 99 H SER 16 H SER 16 1.760 -1.140 -0.964 100 HA SER 16 HA SER 16 4.412 -0.847 -2.222 101 HB2 SER 16 HB2 SER 16 3.450 -3.084 -1.565 102 HB3 SER 16 HB3 SER 16 2.223 -2.866 -2.832 103 HG SER 16 HG SER 16 4.052 -4.070 -3.562 104 H LYS 17 H LYS 17 4.798 -0.364 -4.330 105 HA LYS 17 HA LYS 17 3.235 1.598 -5.602 106 HB2 LYS 17 HB2 LYS 17 5.399 -0.239 -6.626 107 HB3 LYS 17 HB3 LYS 17 4.656 1.000 -7.652 108 HG2 LYS 17 HG2 LYS 17 5.368 2.739 -6.058 109 HG3 LYS 17 HG3 LYS 17 6.113 1.493 -5.034 110 HD2 LYS 17 HD2 LYS 17 7.621 0.877 -6.883 111 HD3 LYS 17 HD3 LYS 17 6.877 2.122 -7.909 112 HE2 LYS 17 HE3 LYS 17 8.869 3.095 -7.068 113 HE3 LYS 17 HE2 LYS 17 7.550 3.805 -6.116 114 HZ1 LYS 17 HZ1 LYS 17 9.384 3.139 -4.731 115 HZ2 LYS 17 HZ2 LYS 17 9.272 1.577 -5.249 116 HZ3 LYS 17 HZ3 LYS 17 8.048 2.243 -4.367 117 H PHE 18 H PHE 18 2.823 -1.853 -5.735 118 HA PHE 18 HA PHE 18 1.379 -1.894 -8.270 119 HB2 PHE 18 HB2 PHE 18 1.692 -3.901 -6.024 120 HB3 PHE 18 HB3 PHE 18 0.723 -4.218 -7.472 121 HD1 PHE 18 HD1 PHE 18 4.114 -3.800 -6.137 122 HD2 PHE 18 HD2 PHE 18 1.799 -4.550 -9.634 123 HE1 PHE 18 HE1 PHE 18 6.137 -4.546 -7.314 124 HE2 PHE 18 HE2 PHE 18 3.819 -5.297 -10.814 125 HZ PHE 18 HZ PHE 18 5.994 -5.295 -9.656 126 H GLY 19 H GLY 19 0.615 -0.698 -5.241 127 HA2 GLY 19 HA2 GLY 19 -1.443 0.359 -4.736 128 HA3 GLY 19 HA3 GLY 19 -2.268 -0.691 -5.905 129 H PHE 20 H PHE 20 -0.128 -1.405 -3.108 130 HA PHE 20 HA PHE 20 -2.425 -2.784 -1.802 131 HB2 PHE 20 HB2 PHE 20 0.277 -4.003 -2.422 132 HB3 PHE 20 HB3 PHE 20 -0.815 -4.663 -1.193 133 HD1 PHE 20 HD1 PHE 20 -0.258 -4.168 -4.788 134 HD2 PHE 20 HD2 PHE 20 -2.882 -5.774 -1.840 135 HE1 PHE 20 HE1 PHE 20 -1.432 -5.443 -6.529 136 HE2 PHE 20 HE2 PHE 20 -4.058 -7.049 -3.579 137 HZ PHE 20 HZ PHE 20 -3.337 -6.884 -5.927 138 H CYS 21 H CYS 21 -1.997 -3.381 0.469 139 HA CYS 21 HA CYS 21 -0.076 -1.493 1.769 140 HB2 CYS 21 HB2 CYS 21 -2.753 -2.326 2.904 141 HB3 CYS 21 HB3 CYS 21 -1.666 -1.063 3.502 142 HG CYS 21 HG CYS 21 -3.084 -0.767 0.359 143 H GLY 22 H GLY 22 0.907 -2.189 3.716 144 HA2 GLY 22 HA2 GLY 22 0.339 -4.635 5.026 145 HA3 GLY 22 HA3 GLY 22 1.565 -4.963 3.786 146 H SER 23 H SER 23 1.902 -5.281 6.589 147 HA SER 23 HA SER 23 3.811 -3.079 7.238 148 HB2 SER 23 HB2 SER 23 2.451 -5.086 9.073 149 HB3 SER 23 HB3 SER 23 3.596 -3.827 9.585 150 HG SER 23 HG SER 23 1.275 -3.308 9.754 151 H GLY 24 H GLY 24 5.918 -3.475 7.519 152 HA2 GLY 24 HA3 GLY 24 7.747 -4.912 8.186 153 HA3 GLY 24 HA2 GLY 24 6.801 -6.315 7.656 154 HA PRO 25 HA PRO 25 9.727 -5.021 4.211 155 HB2 PRO 25 HB3 PRO 25 11.225 -7.515 4.537 156 HB3 PRO 25 HB2 PRO 25 11.804 -5.838 4.741 157 HG2 PRO 25 HG2 PRO 25 11.541 -7.629 6.796 158 HG3 PRO 25 HG3 PRO 25 11.432 -5.858 6.995 159 HD2 PRO 25 HD3 PRO 25 9.216 -7.890 6.779 160 HD3 PRO 25 HD2 PRO 25 9.370 -6.495 7.894 161 H ALA 26 H ALA 26 7.372 -5.712 3.532 162 HA ALA 26 HA ALA 26 7.684 -7.933 1.585 163 HB1 ALA 26 HB1 ALA 26 6.484 -8.894 3.517 164 HB2 ALA 26 HB2 ALA 26 5.259 -7.610 3.389 165 HB3 ALA 26 HB3 ALA 26 5.443 -8.797 2.077 166 H TYR 27 H TYR 27 5.620 -5.282 2.765 167 HA TYR 27 HA TYR 27 4.959 -4.600 -0.068 168 HB2 TYR 27 HB2 TYR 27 3.503 -4.008 2.528 169 HB3 TYR 27 HB3 TYR 27 3.061 -3.298 0.967 170 HD1 TYR 27 HD1 TYR 27 3.162 -6.421 2.944 171 HD2 TYR 27 HD2 TYR 27 1.912 -4.623 -0.711 172 HE1 TYR 27 HE1 TYR 27 1.766 -8.382 2.459 173 HE2 TYR 27 HE2 TYR 27 0.514 -6.584 -1.198 174 HH TYR 27 HH TYR 27 -0.643 -8.425 0.250 175 H CYS 28 H CYS 28 6.949 -3.805 2.476 176 HA CYS 28 HA CYS 28 6.917 -0.887 1.952 177 HB2 CYS 28 HB2 CYS 28 7.192 -2.334 4.275 178 HB3 CYS 28 HB3 CYS 28 8.875 -1.946 3.881 179 HG CYS 28 HG CYS 28 8.642 0.797 4.073 180 H GLY 29 H GLY 29 9.082 -3.730 1.806 181 HA2 GLY 29 HA3 GLY 29 11.131 -2.054 0.451 182 HA3 GLY 29 HA2 GLY 29 11.383 -3.671 1.137 183 H GLY 30 H GLY 30 11.574 -2.182 -1.647 184 HA2 GLY 30 HA2 GLY 30 11.678 -4.271 -3.359 185 HA3 GLY 30 HA3 GLY 30 9.930 -3.970 -3.305 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -7.325 -8.622 2.619 2 H2 ALA 1 H2 ALA 1 -8.958 -8.818 2.739 3 H3 ALA 1 H3 ALA 1 -8.105 -8.209 4.012 4 HA ALA 1 HA ALA 1 -8.479 -6.915 1.400 5 HB1 ALA 1 HB1 ALA 1 -10.499 -6.911 2.813 6 HB2 ALA 1 HB2 ALA 1 -9.564 -6.178 4.138 7 HB3 ALA 1 HB3 ALA 1 -9.820 -5.277 2.624 8 H GLY 2 H GLY 2 -7.504 -4.909 1.110 9 HA2 GLY 2 HA2 GLY 2 -6.151 -3.245 2.731 10 HA3 GLY 2 HA3 GLY 2 -5.007 -4.598 2.644 11 H GLU 3 H GLU 3 -6.686 -2.085 0.827 12 HA GLU 3 HA GLU 3 -4.554 -2.269 -1.260 13 HB2 GLU 3 HB3 GLU 3 -7.536 -1.887 -1.636 14 HB3 GLU 3 HB2 GLU 3 -6.350 -1.428 -2.870 15 HG2 GLU 3 HG3 GLU 3 -5.546 -3.749 -2.970 16 HG3 GLU 3 HG2 GLU 3 -6.734 -4.210 -1.736 17 H CYS 4 H CYS 4 -3.928 -0.329 -2.248 18 HA CYS 4 HA CYS 4 -4.281 2.032 -0.510 19 HB2 CYS 4 HB2 CYS 4 -2.501 1.520 -2.909 20 HB3 CYS 4 HB3 CYS 4 -2.512 3.020 -1.967 21 HG CYS 4 HG CYS 4 -2.055 0.324 0.011 22 H VAL 5 H VAL 5 -4.957 4.060 -1.208 23 HA VAL 5 HA VAL 5 -6.596 4.022 -3.708 24 HB VAL 5 HB VAL 5 -7.126 5.869 -1.355 25 HG11 VAL 5 HG11 VAL 5 -8.117 6.461 -3.542 26 HG12 VAL 5 HG12 VAL 5 -9.355 6.059 -2.329 27 HG13 VAL 5 HG13 VAL 5 -8.929 4.878 -3.590 28 HG21 VAL 5 HG21 VAL 5 -9.085 4.199 -0.918 29 HG22 VAL 5 HG22 VAL 5 -7.469 3.845 -0.263 30 HG23 VAL 5 HG23 VAL 5 -8.031 3.023 -1.739 31 H ARG 6 H ARG 6 -5.637 5.091 -5.268 32 HA ARG 6 HA ARG 6 -4.438 6.644 -6.457 33 HB2 ARG 6 HB2 ARG 6 -5.560 8.441 -4.295 34 HB3 ARG 6 HB3 ARG 6 -4.635 9.063 -5.672 35 HG2 ARG 6 HG3 ARG 6 -7.032 7.301 -6.146 36 HG3 ARG 6 HG2 ARG 6 -7.254 9.016 -5.742 37 HD2 ARG 6 HD3 ARG 6 -5.835 9.657 -7.649 38 HD3 ARG 6 HD2 ARG 6 -5.595 7.944 -8.048 39 HE ARG 6 HE ARG 6 -8.391 8.522 -7.956 40 HH11 ARG 6 HH11 ARG 6 -5.544 9.116 -9.983 41 HH12 ARG 6 HH12 ARG 6 -6.489 9.261 -11.449 42 HH21 ARG 6 HH21 ARG 6 -9.572 8.716 -9.867 43 HH22 ARG 6 HH22 ARG 6 -8.756 9.035 -11.382 44 H GLY 7 H GLY 7 -3.040 5.154 -4.296 45 HA2 GLY 7 HA2 GLY 7 -0.719 5.048 -3.908 46 HA3 GLY 7 HA3 GLY 7 -0.564 6.755 -4.359 47 H ARG 8 H ARG 8 -3.085 6.046 -2.111 48 HA ARG 8 HA ARG 8 -1.322 6.740 0.197 49 HB2 ARG 8 HB3 ARG 8 -3.931 8.063 -0.599 50 HB3 ARG 8 HB2 ARG 8 -3.275 8.148 1.044 51 HG2 ARG 8 HG2 ARG 8 -1.242 9.224 0.195 52 HG3 ARG 8 HG3 ARG 8 -1.877 9.132 -1.461 53 HD2 ARG 8 HD3 ARG 8 -3.789 10.546 -0.796 54 HD3 ARG 8 HD2 ARG 8 -3.138 10.639 0.853 55 HE ARG 8 HE ARG 8 -1.108 11.512 -0.898 56 HH11 ARG 8 HH11 ARG 8 -4.332 12.572 0.126 57 HH12 ARG 8 HH12 ARG 8 -3.976 14.263 -0.146 58 HH21 ARG 8 HH21 ARG 8 -0.690 13.703 -1.236 59 HH22 ARG 8 HH22 ARG 8 -1.926 14.899 -0.913 60 H CYS 9 H CYS 9 -1.518 5.383 1.818 61 HA CYS 9 HA CYS 9 -4.118 3.985 2.239 62 HB2 CYS 9 HB3 CYS 9 -2.494 2.523 0.986 63 HB3 CYS 9 HB2 CYS 9 -1.409 2.631 2.381 64 HG CYS 9 HG CYS 9 -3.860 1.622 3.992 65 HA PRO 10 HA PRO 10 -2.974 5.513 6.335 66 HB2 PRO 10 HB2 PRO 10 -5.428 5.332 7.506 67 HB3 PRO 10 HB3 PRO 10 -5.054 6.586 6.288 68 HG2 PRO 10 HG2 PRO 10 -6.542 4.001 5.972 69 HG3 PRO 10 HG3 PRO 10 -6.902 5.615 5.300 70 HD2 PRO 10 HD3 PRO 10 -5.640 3.574 3.912 71 HD3 PRO 10 HD2 PRO 10 -5.497 5.312 3.511 72 H GLY 11 H GLY 11 -4.171 4.554 8.690 73 HA2 GLY 11 HA2 GLY 11 -4.495 2.594 9.994 74 HA3 GLY 11 HA3 GLY 11 -3.837 1.609 8.674 75 H GLY 12 H GLY 12 -1.496 3.404 8.328 76 HA2 GLY 12 HA2 GLY 12 0.489 3.993 9.517 77 HA3 GLY 12 HA3 GLY 12 -0.051 3.012 10.893 78 H LEU 13 H LEU 13 0.158 2.160 7.436 79 HA LEU 13 HA LEU 13 2.355 0.263 8.068 80 HB2 LEU 13 HB2 LEU 13 1.230 -1.451 6.609 81 HB3 LEU 13 HB3 LEU 13 0.483 -1.176 8.184 82 HG LEU 13 HG LEU 13 -0.597 0.190 5.716 83 HD11 LEU 13 HD11 LEU 13 -2.071 -2.201 6.383 84 HD12 LEU 13 HD12 LEU 13 -0.378 -2.611 6.019 85 HD13 LEU 13 HD13 LEU 13 -1.352 -1.715 4.829 86 HD21 LEU 13 HD21 LEU 13 -1.786 -0.710 8.363 87 HD22 LEU 13 HD22 LEU 13 -2.739 -0.056 7.010 88 HD23 LEU 13 HD23 LEU 13 -1.517 0.960 7.810 89 H CYS 14 H CYS 14 2.741 -0.904 5.604 90 HA CYS 14 HA CYS 14 3.716 1.439 4.067 91 HB2 CYS 14 HB2 CYS 14 4.412 -1.507 3.926 92 HB3 CYS 14 HB3 CYS 14 5.115 -0.259 2.885 93 HG CYS 14 HG CYS 14 5.957 1.161 5.457 94 H CYS 15 H CYS 15 3.615 1.493 1.764 95 HA CYS 15 HA CYS 15 1.307 -0.012 0.611 96 HB2 CYS 15 HB3 CYS 15 0.581 2.263 1.129 97 HB3 CYS 15 HB2 CYS 15 1.974 2.928 0.262 98 HG CYS 15 HG CYS 15 0.981 2.787 -2.205 99 H SER 16 H SER 16 1.789 -1.113 -1.140 100 HA SER 16 HA SER 16 4.384 -0.691 -2.475 101 HB2 SER 16 HB2 SER 16 2.217 -2.788 -2.853 102 HB3 SER 16 HB3 SER 16 3.765 -2.761 -3.725 103 HG SER 16 HG SER 16 4.810 -2.929 -1.678 104 H LYS 17 H LYS 17 4.687 -0.175 -4.593 105 HA LYS 17 HA LYS 17 3.044 1.783 -5.766 106 HB2 LYS 17 HB2 LYS 17 5.199 0.006 -6.907 107 HB3 LYS 17 HB3 LYS 17 4.399 1.255 -7.877 108 HG2 LYS 17 HG2 LYS 17 5.144 2.971 -6.275 109 HG3 LYS 17 HG3 LYS 17 5.942 1.717 -5.302 110 HD2 LYS 17 HD3 LYS 17 7.388 1.159 -7.230 111 HD3 LYS 17 HD2 LYS 17 6.594 2.430 -8.182 112 HE2 LYS 17 HE2 LYS 17 7.991 2.986 -5.555 113 HE3 LYS 17 HE3 LYS 17 8.832 3.036 -7.117 114 HZ1 LYS 17 HZ1 LYS 17 8.065 5.203 -6.451 115 HZ2 LYS 17 HZ2 LYS 17 7.279 4.729 -7.821 116 HZ3 LYS 17 HZ3 LYS 17 6.503 4.681 -6.366 117 H PHE 18 H PHE 18 2.681 -1.673 -5.953 118 HA PHE 18 HA PHE 18 1.154 -1.685 -8.440 119 HB2 PHE 18 HB3 PHE 18 2.511 -3.603 -7.234 120 HB3 PHE 18 HB2 PHE 18 0.983 -3.860 -6.376 121 HD1 PHE 18 HD1 PHE 18 -0.990 -4.670 -7.550 122 HD2 PHE 18 HD2 PHE 18 2.693 -4.088 -9.610 123 HE1 PHE 18 HE1 PHE 18 -1.838 -5.994 -9.438 124 HE2 PHE 18 HE2 PHE 18 1.848 -5.412 -11.498 125 HZ PHE 18 HZ PHE 18 -0.419 -6.370 -11.415 126 H GLY 19 H GLY 19 0.485 -0.587 -5.340 127 HA2 GLY 19 HA2 GLY 19 -1.571 0.440 -4.748 128 HA3 GLY 19 HA3 GLY 19 -2.422 -0.601 -5.906 129 H PHE 20 H PHE 20 -0.173 -1.322 -3.194 130 HA PHE 20 HA PHE 20 -2.401 -2.779 -1.852 131 HB2 PHE 20 HB3 PHE 20 0.211 -3.914 -2.795 132 HB3 PHE 20 HB2 PHE 20 -0.478 -4.506 -1.273 133 HD1 PHE 20 HD1 PHE 20 -2.533 -5.787 -1.246 134 HD2 PHE 20 HD2 PHE 20 -0.914 -4.354 -4.918 135 HE1 PHE 20 HE1 PHE 20 -4.020 -7.296 -2.488 136 HE2 PHE 20 HE2 PHE 20 -2.401 -5.862 -6.162 137 HZ PHE 20 HZ PHE 20 -3.957 -7.336 -4.950 138 H CYS 21 H CYS 21 -2.009 -3.314 0.392 139 HA CYS 21 HA CYS 21 -0.067 -1.450 1.700 140 HB2 CYS 21 HB2 CYS 21 -2.732 -2.294 2.857 141 HB3 CYS 21 HB3 CYS 21 -1.651 -1.014 3.430 142 HG CYS 21 HG CYS 21 -3.135 -0.769 0.312 143 H GLY 22 H GLY 22 0.915 -2.158 3.645 144 HA2 GLY 22 HA3 GLY 22 0.348 -4.599 4.960 145 HA3 GLY 22 HA2 GLY 22 1.548 -4.941 3.700 146 H SER 23 H SER 23 1.865 -5.200 6.551 147 HA SER 23 HA SER 23 3.908 -3.082 7.078 148 HB2 SER 23 HB2 SER 23 1.981 -3.259 8.691 149 HB3 SER 23 HB3 SER 23 2.544 -4.893 9.102 150 HG SER 23 HG SER 23 3.362 -3.284 10.540 151 H GLY 24 H GLY 24 5.955 -3.635 7.747 152 HA2 GLY 24 HA3 GLY 24 7.634 -5.196 8.452 153 HA3 GLY 24 HA2 GLY 24 6.623 -6.526 7.857 154 HA PRO 25 HA PRO 25 9.880 -5.438 4.629 155 HB2 PRO 25 HB2 PRO 25 11.085 -8.094 5.011 156 HB3 PRO 25 HB3 PRO 25 11.827 -6.484 5.231 157 HG2 PRO 25 HG3 PRO 25 11.297 -8.195 7.285 158 HG3 PRO 25 HG2 PRO 25 11.332 -6.418 7.462 159 HD2 PRO 25 HD2 PRO 25 8.959 -8.262 7.163 160 HD3 PRO 25 HD3 PRO 25 9.187 -6.858 8.254 161 H ALA 26 H ALA 26 7.484 -5.903 3.833 162 HA ALA 26 HA ALA 26 7.710 -8.067 1.812 163 HB1 ALA 26 HB1 ALA 26 6.365 -9.010 3.655 164 HB2 ALA 26 HB2 ALA 26 5.394 -8.780 2.181 165 HB3 ALA 26 HB3 ALA 26 5.243 -7.633 3.534 166 H TYR 27 H TYR 27 5.876 -5.275 3.025 167 HA TYR 27 HA TYR 27 5.408 -4.426 0.195 168 HB2 TYR 27 HB2 TYR 27 3.751 -3.924 2.690 169 HB3 TYR 27 HB3 TYR 27 3.467 -3.129 1.133 170 HD1 TYR 27 HD1 TYR 27 2.469 -4.362 -0.723 171 HD2 TYR 27 HD2 TYR 27 3.266 -6.317 2.979 172 HE1 TYR 27 HE1 TYR 27 1.063 -6.251 -1.419 173 HE2 TYR 27 HE2 TYR 27 1.862 -8.207 2.283 174 HH TYR 27 HH TYR 27 0.950 -8.786 -0.803 175 H CYS 28 H CYS 28 7.280 -3.907 2.859 176 HA CYS 28 HA CYS 28 7.329 -0.954 2.673 177 HB2 CYS 28 HB2 CYS 28 8.824 -2.870 4.487 178 HB3 CYS 28 HB3 CYS 28 8.901 -1.102 4.579 179 HG CYS 28 HG CYS 28 6.763 -3.114 6.089 180 H GLY 29 H GLY 29 9.453 -3.785 2.147 181 HA2 GLY 29 HA2 GLY 29 10.938 -2.313 0.118 182 HA3 GLY 29 HA3 GLY 29 11.879 -2.615 1.592 183 H GLY 30 H GLY 30 13.289 -4.169 1.128 184 HA2 GLY 30 HA2 GLY 30 12.225 -6.795 0.327 185 HA3 GLY 30 HA3 GLY 30 13.380 -6.053 -0.797 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -7.163 0.253 3.683 2 H2 ALA 1 H2 ALA 1 -8.405 -0.336 4.594 3 H3 ALA 1 H3 ALA 1 -7.193 0.524 5.309 4 HA ALA 1 HA ALA 1 -5.592 -1.157 4.812 5 HB1 ALA 1 HB1 ALA 1 -6.831 -1.271 6.940 6 HB2 ALA 1 HB2 ALA 1 -8.078 -2.268 6.154 7 HB3 ALA 1 HB3 ALA 1 -6.419 -2.890 6.326 8 H GLY 2 H GLY 2 -4.931 -2.828 3.602 9 HA2 GLY 2 HA3 GLY 2 -5.360 -4.896 2.408 10 HA3 GLY 2 HA2 GLY 2 -6.994 -4.310 2.042 11 H GLU 3 H GLU 3 -6.784 -1.951 0.936 12 HA GLU 3 HA GLU 3 -4.775 -2.201 -1.256 13 HB2 GLU 3 HB2 GLU 3 -6.540 -1.352 -2.837 14 HB3 GLU 3 HB3 GLU 3 -6.766 -3.011 -2.266 15 HG2 GLU 3 HG2 GLU 3 -8.474 -2.219 -0.669 16 HG3 GLU 3 HG3 GLU 3 -8.248 -0.559 -1.252 17 H CYS 4 H CYS 4 -4.115 -0.283 -2.262 18 HA CYS 4 HA CYS 4 -4.330 2.083 -0.492 19 HB2 CYS 4 HB3 CYS 4 -2.532 1.463 -2.856 20 HB3 CYS 4 HB2 CYS 4 -2.499 2.975 -1.935 21 HG CYS 4 HG CYS 4 -2.205 0.355 0.143 22 H VAL 5 H VAL 5 -4.875 4.144 -1.208 23 HA VAL 5 HA VAL 5 -6.502 4.182 -3.714 24 HB VAL 5 HB VAL 5 -6.875 6.120 -1.404 25 HG11 VAL 5 HG11 VAL 5 -7.826 6.739 -3.600 26 HG12 VAL 5 HG12 VAL 5 -8.758 5.223 -3.611 27 HG13 VAL 5 HG13 VAL 5 -9.087 6.461 -2.375 28 HG21 VAL 5 HG21 VAL 5 -8.958 4.620 -0.925 29 HG22 VAL 5 HG22 VAL 5 -8.003 3.346 -1.721 30 HG23 VAL 5 HG23 VAL 5 -7.372 4.153 -0.266 31 H ARG 6 H ARG 6 -5.360 5.051 -5.284 32 HA ARG 6 HA ARG 6 -4.013 6.449 -6.507 33 HB2 ARG 6 HB3 ARG 6 -5.141 8.451 -4.534 34 HB3 ARG 6 HB2 ARG 6 -4.102 8.916 -5.892 35 HG2 ARG 6 HG2 ARG 6 -5.731 7.887 -7.458 36 HG3 ARG 6 HG3 ARG 6 -6.793 7.527 -6.082 37 HD2 ARG 6 HD3 ARG 6 -7.628 9.540 -7.000 38 HD3 ARG 6 HD2 ARG 6 -6.715 10.027 -5.559 39 HE ARG 6 HE ARG 6 -4.903 10.178 -7.674 40 HH11 ARG 6 HH11 ARG 6 -8.000 11.701 -6.864 41 HH12 ARG 6 HH12 ARG 6 -7.622 13.172 -7.732 42 HH21 ARG 6 HH21 ARG 6 -4.456 12.091 -8.781 43 HH22 ARG 6 HH22 ARG 6 -5.626 13.391 -8.811 44 H GLY 7 H GLY 7 -2.799 5.028 -4.205 45 HA2 GLY 7 HA2 GLY 7 -0.485 4.840 -3.748 46 HA3 GLY 7 HA3 GLY 7 -0.255 6.537 -4.204 47 H ARG 8 H ARG 8 -2.895 5.923 -2.064 48 HA ARG 8 HA ARG 8 -1.213 6.570 0.315 49 HB2 ARG 8 HB2 ARG 8 -3.714 7.989 -0.625 50 HB3 ARG 8 HB3 ARG 8 -3.173 8.050 1.061 51 HG2 ARG 8 HG3 ARG 8 -1.020 9.024 0.311 52 HG3 ARG 8 HG2 ARG 8 -1.611 8.994 -1.364 53 HD2 ARG 8 HD2 ARG 8 -3.452 10.493 -0.759 54 HD3 ARG 8 HD3 ARG 8 -2.901 10.510 0.928 55 HE ARG 8 HE ARG 8 -0.809 11.332 -0.887 56 HH11 ARG 8 HH11 ARG 8 -3.733 12.495 0.749 57 HH12 ARG 8 HH12 ARG 8 -3.217 14.166 0.707 58 HH21 ARG 8 HH21 ARG 8 -0.182 13.500 -0.920 59 HH22 ARG 8 HH22 ARG 8 -1.218 14.731 -0.232 60 H CYS 9 H CYS 9 -1.534 5.235 1.939 61 HA CYS 9 HA CYS 9 -4.197 3.919 2.225 62 HB2 CYS 9 HB3 CYS 9 -2.567 2.390 1.088 63 HB3 CYS 9 HB2 CYS 9 -1.524 2.512 2.514 64 HG CYS 9 HG CYS 9 -4.003 1.571 4.094 65 HA PRO 10 HA PRO 10 -3.301 5.426 6.383 66 HB2 PRO 10 HB3 PRO 10 -5.808 5.174 7.422 67 HB3 PRO 10 HB2 PRO 10 -5.406 6.451 6.238 68 HG2 PRO 10 HG2 PRO 10 -6.804 3.826 5.833 69 HG3 PRO 10 HG3 PRO 10 -7.175 5.433 5.148 70 HD2 PRO 10 HD2 PRO 10 -5.796 3.443 3.802 71 HD3 PRO 10 HD3 PRO 10 -5.664 5.191 3.445 72 H GLY 11 H GLY 11 -4.597 4.430 8.671 73 HA2 GLY 11 HA2 GLY 11 -4.937 2.467 9.959 74 HA3 GLY 11 HA3 GLY 11 -4.207 1.495 8.667 75 H GLY 12 H GLY 12 -1.885 3.325 8.424 76 HA2 GLY 12 HA2 GLY 12 0.031 3.951 9.708 77 HA3 GLY 12 HA3 GLY 12 -0.542 2.937 11.046 78 H LEU 13 H LEU 13 -0.164 2.142 7.586 79 HA LEU 13 HA LEU 13 2.057 0.302 8.287 80 HB2 LEU 13 HB2 LEU 13 1.048 -1.436 6.777 81 HB3 LEU 13 HB3 LEU 13 0.229 -1.196 8.321 82 HG LEU 13 HG LEU 13 -0.794 0.145 5.816 83 HD11 LEU 13 HD11 LEU 13 -2.187 -2.318 6.454 84 HD12 LEU 13 HD12 LEU 13 -0.475 -2.634 6.084 85 HD13 LEU 13 HD13 LEU 13 -1.496 -1.774 4.906 86 HD21 LEU 13 HD21 LEU 13 -2.073 -0.815 8.402 87 HD22 LEU 13 HD22 LEU 13 -2.975 -0.153 7.018 88 HD23 LEU 13 HD23 LEU 13 -1.810 0.870 7.892 89 H CYS 14 H CYS 14 2.470 -0.848 5.772 90 HA CYS 14 HA CYS 14 3.442 1.546 4.295 91 HB2 CYS 14 HB2 CYS 14 4.292 -1.359 4.115 92 HB3 CYS 14 HB3 CYS 14 5.025 -0.012 3.230 93 HG CYS 14 HG CYS 14 4.983 0.047 6.688 94 H CYS 15 H CYS 15 3.494 1.491 1.950 95 HA CYS 15 HA CYS 15 1.260 -0.096 0.762 96 HB2 CYS 15 HB3 CYS 15 0.502 2.205 1.160 97 HB3 CYS 15 HB2 CYS 15 1.907 2.830 0.282 98 HG CYS 15 HG CYS 15 1.005 2.436 -2.212 99 H SER 16 H SER 16 1.765 -1.188 -0.995 100 HA SER 16 HA SER 16 4.439 -0.812 -2.197 101 HB2 SER 16 HB3 SER 16 3.873 -2.928 -3.419 102 HB3 SER 16 HB2 SER 16 3.855 -3.082 -1.649 103 HG SER 16 HG SER 16 2.012 -4.024 -2.826 104 H LYS 17 H LYS 17 4.830 -0.437 -4.346 105 HA LYS 17 HA LYS 17 3.300 1.514 -5.657 106 HB2 LYS 17 HB2 LYS 17 5.401 -0.406 -6.653 107 HB3 LYS 17 HB3 LYS 17 4.673 0.815 -7.710 108 HG2 LYS 17 HG2 LYS 17 5.442 2.587 -6.174 109 HG3 LYS 17 HG3 LYS 17 6.183 1.355 -5.131 110 HD2 LYS 17 HD2 LYS 17 7.649 0.665 -6.985 111 HD3 LYS 17 HD3 LYS 17 6.901 1.883 -8.038 112 HE2 LYS 17 HE2 LYS 17 8.924 2.846 -7.268 113 HE3 LYS 17 HE3 LYS 17 7.635 3.622 -6.326 114 HZ1 LYS 17 HZ1 LYS 17 9.479 2.977 -4.945 115 HZ2 LYS 17 HZ2 LYS 17 8.138 2.114 -4.525 116 HZ3 LYS 17 HZ3 LYS 17 9.337 1.399 -5.403 117 H PHE 18 H PHE 18 2.764 -1.919 -5.675 118 HA PHE 18 HA PHE 18 1.304 -2.005 -8.198 119 HB2 PHE 18 HB2 PHE 18 1.531 -3.915 -5.856 120 HB3 PHE 18 HB3 PHE 18 0.543 -4.257 -7.286 121 HD1 PHE 18 HD1 PHE 18 3.953 -3.948 -5.973 122 HD2 PHE 18 HD2 PHE 18 1.597 -4.734 -9.435 123 HE1 PHE 18 HE1 PHE 18 5.934 -4.845 -7.115 124 HE2 PHE 18 HE2 PHE 18 3.577 -5.631 -10.580 125 HZ PHE 18 HZ PHE 18 5.749 -5.690 -9.421 126 H GLY 19 H GLY 19 0.616 -0.629 -5.234 127 HA2 GLY 19 HA2 GLY 19 -1.377 0.507 -4.696 128 HA3 GLY 19 HA3 GLY 19 -2.260 -0.482 -5.875 129 H PHE 20 H PHE 20 -0.146 -1.407 -3.131 130 HA PHE 20 HA PHE 20 -2.520 -2.672 -1.836 131 HB2 PHE 20 HB3 PHE 20 -0.813 -4.190 -3.261 132 HB3 PHE 20 HB2 PHE 20 0.073 -4.144 -1.727 133 HD1 PHE 20 HD1 PHE 20 -2.950 -5.329 -3.421 134 HD2 PHE 20 HD2 PHE 20 -0.841 -5.181 0.277 135 HE1 PHE 20 HE1 PHE 20 -4.396 -7.102 -2.527 136 HE2 PHE 20 HE2 PHE 20 -2.286 -6.953 1.174 137 HZ PHE 20 HZ PHE 20 -4.068 -7.916 -0.226 138 H CYS 21 H CYS 21 -2.181 -3.260 0.425 139 HA CYS 21 HA CYS 21 -0.228 -1.432 1.762 140 HB2 CYS 21 HB3 CYS 21 -2.840 -2.390 2.951 141 HB3 CYS 21 HB2 CYS 21 -1.793 -1.072 3.503 142 HG CYS 21 HG CYS 21 -3.396 -0.877 0.439 143 H GLY 22 H GLY 22 0.736 -2.151 3.743 144 HA2 GLY 22 HA3 GLY 22 0.304 -4.664 4.949 145 HA3 GLY 22 HA2 GLY 22 1.517 -4.903 3.678 146 H SER 23 H SER 23 1.996 -5.351 6.407 147 HA SER 23 HA SER 23 3.860 -3.109 7.068 148 HB2 SER 23 HB3 SER 23 1.976 -3.522 8.696 149 HB3 SER 23 HB2 SER 23 2.667 -5.131 8.995 150 HG SER 23 HG SER 23 3.393 -3.557 10.518 151 H GLY 24 H GLY 24 5.955 -3.543 7.612 152 HA2 GLY 24 HA3 GLY 24 7.771 -4.993 8.191 153 HA3 GLY 24 HA2 GLY 24 6.831 -6.379 7.607 154 HA PRO 25 HA PRO 25 9.830 -4.991 4.256 155 HB2 PRO 25 HB3 PRO 25 11.348 -7.476 4.572 156 HB3 PRO 25 HB2 PRO 25 11.905 -5.797 4.810 157 HG2 PRO 25 HG2 PRO 25 11.625 -7.617 6.835 158 HG3 PRO 25 HG3 PRO 25 11.489 -5.850 7.056 159 HD2 PRO 25 HD3 PRO 25 9.304 -7.908 6.770 160 HD3 PRO 25 HD2 PRO 25 9.419 -6.527 7.907 161 H ALA 26 H ALA 26 7.495 -5.699 3.523 162 HA ALA 26 HA ALA 26 7.869 -7.880 1.543 163 HB1 ALA 26 HB1 ALA 26 6.645 -8.889 3.435 164 HB2 ALA 26 HB2 ALA 26 5.408 -7.616 3.308 165 HB3 ALA 26 HB3 ALA 26 5.629 -8.778 1.978 166 H TYR 27 H TYR 27 5.790 -5.253 2.734 167 HA TYR 27 HA TYR 27 5.204 -4.506 -0.100 168 HB2 TYR 27 HB3 TYR 27 3.581 -4.040 2.429 169 HB3 TYR 27 HB2 TYR 27 3.200 -3.341 0.846 170 HD1 TYR 27 HD1 TYR 27 3.184 -6.407 2.865 171 HD2 TYR 27 HD2 TYR 27 2.356 -4.757 -0.975 172 HE1 TYR 27 HE1 TYR 27 1.907 -8.421 2.277 173 HE2 TYR 27 HE2 TYR 27 1.077 -6.770 -1.565 174 HH TYR 27 HH TYR 27 1.100 -9.261 -0.778 175 H CYS 28 H CYS 28 7.025 -3.754 2.579 176 HA CYS 28 HA CYS 28 6.913 -0.820 2.154 177 HB2 CYS 28 HB3 CYS 28 7.033 -2.284 4.458 178 HB3 CYS 28 HB2 CYS 28 8.748 -1.930 4.188 179 HG CYS 28 HG CYS 28 8.579 0.812 4.399 180 H GLY 29 H GLY 29 9.186 -3.580 2.088 181 HA2 GLY 29 HA3 GLY 29 10.875 -2.052 0.204 182 HA3 GLY 29 HA2 GLY 29 11.632 -2.578 1.720 183 H GLY 30 H GLY 30 12.173 -4.702 2.045 184 HA2 GLY 30 HA2 GLY 30 11.388 -7.020 0.950 185 HA3 GLY 30 HA3 GLY 30 12.277 -6.323 -0.418 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -6.574 -7.338 4.356 2 H2 ALA 1 H2 ALA 1 -8.182 -7.706 4.366 3 H3 ALA 1 H3 ALA 1 -7.560 -6.701 5.515 4 HA ALA 1 HA ALA 1 -7.733 -6.144 2.634 5 HB1 ALA 1 HB1 ALA 1 -9.904 -6.053 3.799 6 HB2 ALA 1 HB2 ALA 1 -9.219 -4.904 4.972 7 HB3 ALA 1 HB3 ALA 1 -9.373 -4.442 3.260 8 H GLY 2 H GLY 2 -6.892 -4.198 1.916 9 HA2 GLY 2 HA2 GLY 2 -5.935 -2.018 3.193 10 HA3 GLY 2 HA3 GLY 2 -4.660 -3.199 3.551 11 H GLU 3 H GLU 3 -6.329 -1.382 1.040 12 HA GLU 3 HA GLU 3 -3.955 -1.769 -0.730 13 HB2 GLU 3 HB3 GLU 3 -6.886 -1.928 -1.490 14 HB3 GLU 3 HB2 GLU 3 -5.601 -1.625 -2.671 15 HG2 GLU 3 HG3 GLU 3 -4.546 -3.763 -2.097 16 HG3 GLU 3 HG2 GLU 3 -5.812 -4.067 -0.892 17 H CYS 4 H CYS 4 -3.462 -0.038 -2.126 18 HA CYS 4 HA CYS 4 -4.433 2.571 -1.100 19 HB2 CYS 4 HB3 CYS 4 -2.123 1.929 -2.964 20 HB3 CYS 4 HB2 CYS 4 -2.518 3.522 -2.300 21 HG CYS 4 HG CYS 4 -2.272 2.025 0.440 22 H VAL 5 H VAL 5 -5.995 3.595 -2.089 23 HA VAL 5 HA VAL 5 -6.181 3.412 -5.061 24 HB VAL 5 HB VAL 5 -8.650 3.560 -3.287 25 HG11 VAL 5 HG11 VAL 5 -8.873 4.368 -5.615 26 HG12 VAL 5 HG12 VAL 5 -8.320 2.783 -6.205 27 HG13 VAL 5 HG13 VAL 5 -9.853 2.914 -5.309 28 HG21 VAL 5 HG21 VAL 5 -8.952 1.102 -4.127 29 HG22 VAL 5 HG22 VAL 5 -7.180 1.132 -4.282 30 HG23 VAL 5 HG23 VAL 5 -7.940 1.431 -2.700 31 H ARG 6 H ARG 6 -5.010 5.352 -5.145 32 HA ARG 6 HA ARG 6 -4.684 7.625 -5.239 33 HB2 ARG 6 HB2 ARG 6 -7.700 7.511 -5.437 34 HB3 ARG 6 HB3 ARG 6 -6.799 9.030 -5.577 35 HG2 ARG 6 HG3 ARG 6 -5.549 8.092 -7.497 36 HG3 ARG 6 HG2 ARG 6 -6.485 6.590 -7.355 37 HD2 ARG 6 HD3 ARG 6 -7.791 9.292 -7.758 38 HD3 ARG 6 HD2 ARG 6 -7.266 8.269 -9.110 39 HE ARG 6 HE ARG 6 -8.909 6.755 -7.315 40 HH11 ARG 6 HH11 ARG 6 -9.140 9.284 -9.790 41 HH12 ARG 6 HH12 ARG 6 -10.783 8.860 -10.218 42 HH21 ARG 6 HH21 ARG 6 -11.025 6.240 -7.897 43 HH22 ARG 6 HH22 ARG 6 -11.844 7.146 -9.151 44 H GLY 7 H GLY 7 -4.865 6.400 -2.567 45 HA2 GLY 7 HA3 GLY 7 -5.232 8.925 -1.053 46 HA3 GLY 7 HA2 GLY 7 -6.142 7.498 -0.524 47 H ARG 8 H ARG 8 -4.155 5.529 -1.072 48 HA ARG 8 HA ARG 8 -2.420 4.431 -0.064 49 HB2 ARG 8 HB2 ARG 8 -1.402 7.226 -0.229 50 HB3 ARG 8 HB3 ARG 8 -0.506 6.089 0.793 51 HG2 ARG 8 HG3 ARG 8 -0.354 4.540 -1.165 52 HG3 ARG 8 HG2 ARG 8 -1.129 5.792 -2.160 53 HD2 ARG 8 HD3 ARG 8 0.702 7.330 -1.737 54 HD3 ARG 8 HD2 ARG 8 1.449 6.179 -0.611 55 HE ARG 8 HE ARG 8 1.074 5.042 -3.247 56 HH11 ARG 8 HH11 ARG 8 3.215 7.115 -1.328 57 HH12 ARG 8 HH12 ARG 8 4.611 6.777 -2.326 58 HH21 ARG 8 HH21 ARG 8 2.898 4.630 -4.510 59 HH22 ARG 8 HH22 ARG 8 4.431 5.377 -4.118 60 H CYS 9 H CYS 9 -1.240 3.996 1.955 61 HA CYS 9 HA CYS 9 -2.994 4.530 4.260 62 HB2 CYS 9 HB2 CYS 9 -0.514 2.802 3.988 63 HB3 CYS 9 HB3 CYS 9 -1.592 2.844 5.392 64 HG CYS 9 HG CYS 9 -3.788 1.661 4.102 65 HA PRO 10 HA PRO 10 -0.516 7.691 6.164 66 HB2 PRO 10 HB2 PRO 10 -0.791 7.070 8.860 67 HB3 PRO 10 HB3 PRO 10 -2.063 7.853 7.877 68 HG2 PRO 10 HG2 PRO 10 -1.741 4.960 8.621 69 HG3 PRO 10 HG3 PRO 10 -3.204 5.987 8.638 70 HD2 PRO 10 HD3 PRO 10 -2.708 4.257 6.632 71 HD3 PRO 10 HD2 PRO 10 -3.494 5.838 6.334 72 H GLY 11 H GLY 11 0.932 7.468 8.671 73 HA2 GLY 11 HA3 GLY 11 3.358 6.154 7.650 74 HA3 GLY 11 HA2 GLY 11 3.230 7.205 9.072 75 H GLY 12 H GLY 12 1.036 4.504 8.647 76 HA2 GLY 12 HA2 GLY 12 2.258 3.225 11.031 77 HA3 GLY 12 HA3 GLY 12 0.625 2.931 10.404 78 H LEU 13 H LEU 13 1.045 2.360 7.781 79 HA LEU 13 HA LEU 13 2.824 -0.037 7.866 80 HB2 LEU 13 HB2 LEU 13 1.199 -1.123 6.313 81 HB3 LEU 13 HB3 LEU 13 0.576 -0.838 7.940 82 HG LEU 13 HG LEU 13 -0.030 1.171 5.795 83 HD11 LEU 13 HD11 LEU 13 -0.924 -1.660 5.847 84 HD12 LEU 13 HD12 LEU 13 -0.804 -0.516 4.488 85 HD13 LEU 13 HD13 LEU 13 -2.193 -0.437 5.598 86 HD21 LEU 13 HD21 LEU 13 -0.721 1.567 8.133 87 HD22 LEU 13 HD22 LEU 13 -2.123 1.388 7.051 88 HD23 LEU 13 HD23 LEU 13 -1.640 0.043 8.112 89 H CYS 14 H CYS 14 2.818 -0.847 5.276 90 HA CYS 14 HA CYS 14 3.969 1.514 3.842 91 HB2 CYS 14 HB3 CYS 14 4.772 -1.411 3.695 92 HB3 CYS 14 HB2 CYS 14 5.459 -0.106 2.714 93 HG CYS 14 HG CYS 14 6.289 1.299 5.227 94 H CYS 15 H CYS 15 3.777 1.611 1.572 95 HA CYS 15 HA CYS 15 1.522 -0.016 0.471 96 HB2 CYS 15 HB2 CYS 15 0.830 2.296 0.929 97 HB3 CYS 15 HB3 CYS 15 2.163 2.905 -0.064 98 HG CYS 15 HG CYS 15 1.130 1.937 -2.512 99 H SER 16 H SER 16 1.854 -1.041 -1.373 100 HA SER 16 HA SER 16 4.483 -0.736 -2.698 101 HB2 SER 16 HB3 SER 16 2.274 -2.785 -3.107 102 HB3 SER 16 HB2 SER 16 3.877 -2.815 -3.873 103 HG SER 16 HG SER 16 4.792 -3.018 -1.793 104 H LYS 17 H LYS 17 4.781 -0.215 -4.810 105 HA LYS 17 HA LYS 17 3.090 1.719 -5.988 106 HB2 LYS 17 HB3 LYS 17 5.337 0.034 -7.102 107 HB3 LYS 17 HB2 LYS 17 4.499 1.259 -8.070 108 HG2 LYS 17 HG2 LYS 17 5.141 2.994 -6.459 109 HG3 LYS 17 HG3 LYS 17 5.977 1.776 -5.472 110 HD2 LYS 17 HD2 LYS 17 7.488 1.288 -7.354 111 HD3 LYS 17 HD3 LYS 17 6.651 2.499 -8.346 112 HE2 LYS 17 HE3 LYS 17 7.973 3.157 -5.697 113 HE3 LYS 17 HE2 LYS 17 8.825 3.241 -7.252 114 HZ1 LYS 17 HZ1 LYS 17 7.938 5.369 -6.611 115 HZ2 LYS 17 HZ2 LYS 17 7.202 4.843 -7.990 116 HZ3 LYS 17 HZ3 LYS 17 6.404 4.766 -6.549 117 H PHE 18 H PHE 18 2.800 -1.728 -6.123 118 HA PHE 18 HA PHE 18 1.364 -1.827 -8.664 119 HB2 PHE 18 HB2 PHE 18 2.710 -3.686 -7.350 120 HB3 PHE 18 HB3 PHE 18 1.144 -3.970 -6.570 121 HD1 PHE 18 HD1 PHE 18 3.067 -4.235 -9.672 122 HD2 PHE 18 HD2 PHE 18 -0.760 -4.796 -7.884 123 HE1 PHE 18 HE1 PHE 18 2.371 -5.600 -11.591 124 HE2 PHE 18 HE2 PHE 18 -1.458 -6.160 -9.804 125 HZ PHE 18 HZ PHE 18 0.106 -6.562 -11.664 126 H GLY 19 H GLY 19 0.578 -0.687 -5.603 127 HA2 GLY 19 HA2 GLY 19 -1.524 0.337 -5.143 128 HA3 GLY 19 HA3 GLY 19 -2.313 -0.790 -6.263 129 H PHE 20 H PHE 20 -0.116 -1.306 -3.460 130 HA PHE 20 HA PHE 20 -2.346 -2.711 -2.074 131 HB2 PHE 20 HB3 PHE 20 0.305 -3.889 -2.872 132 HB3 PHE 20 HB2 PHE 20 -0.490 -4.429 -1.384 133 HD1 PHE 20 HD1 PHE 20 -2.562 -5.688 -1.459 134 HD2 PHE 20 HD2 PHE 20 -0.674 -4.386 -5.051 135 HE1 PHE 20 HE1 PHE 20 -3.974 -7.223 -2.756 136 HE2 PHE 20 HE2 PHE 20 -2.087 -5.920 -6.349 137 HZ PHE 20 HZ PHE 20 -3.740 -7.342 -5.204 138 H CYS 21 H CYS 21 -1.954 -3.135 0.205 139 HA CYS 21 HA CYS 21 0.101 -1.364 1.436 140 HB2 CYS 21 HB2 CYS 21 -2.768 -0.991 1.479 141 HB3 CYS 21 HB3 CYS 21 -2.162 -1.275 3.119 142 HG CYS 21 HG CYS 21 -0.290 0.960 1.374 143 H GLY 22 H GLY 22 0.939 -2.035 3.381 144 HA2 GLY 22 HA2 GLY 22 -0.145 -4.095 5.011 145 HA3 GLY 22 HA3 GLY 22 0.993 -4.833 3.868 146 H SER 23 H SER 23 1.349 -4.921 6.631 147 HA SER 23 HA SER 23 3.572 -2.983 7.092 148 HB2 SER 23 HB3 SER 23 1.649 -2.979 8.720 149 HB3 SER 23 HB2 SER 23 2.086 -4.645 9.154 150 HG SER 23 HG SER 23 3.038 -3.083 10.561 151 H GLY 24 H GLY 24 5.554 -3.685 7.879 152 HA2 GLY 24 HA2 GLY 24 7.045 -5.411 8.658 153 HA3 GLY 24 HA3 GLY 24 6.011 -6.629 7.887 154 HA PRO 25 HA PRO 25 9.591 -5.494 5.026 155 HB2 PRO 25 HB2 PRO 25 10.737 -8.173 5.389 156 HB3 PRO 25 HB3 PRO 25 11.462 -6.586 5.769 157 HG2 PRO 25 HG3 PRO 25 10.717 -8.409 7.661 158 HG3 PRO 25 HG2 PRO 25 10.770 -6.646 7.945 159 HD2 PRO 25 HD3 PRO 25 8.410 -8.413 7.309 160 HD3 PRO 25 HD2 PRO 25 8.543 -7.091 8.512 161 H ALA 26 H ALA 26 7.280 -5.882 3.994 162 HA ALA 26 HA ALA 26 7.648 -7.981 1.928 163 HB1 ALA 26 HB1 ALA 26 6.128 -8.961 3.610 164 HB2 ALA 26 HB2 ALA 26 5.044 -7.560 3.439 165 HB3 ALA 26 HB3 ALA 26 5.297 -8.662 2.064 166 H TYR 27 H TYR 27 5.701 -5.225 3.065 167 HA TYR 27 HA TYR 27 5.408 -4.317 0.235 168 HB2 TYR 27 HB2 TYR 27 3.832 -3.566 2.722 169 HB3 TYR 27 HB3 TYR 27 3.569 -2.886 1.108 170 HD1 TYR 27 HD1 TYR 27 3.034 -5.771 3.291 171 HD2 TYR 27 HD2 TYR 27 2.600 -4.308 -0.688 172 HE1 TYR 27 HE1 TYR 27 1.489 -7.613 2.783 173 HE2 TYR 27 HE2 TYR 27 1.055 -6.149 -1.197 174 HH TYR 27 HH TYR 27 -0.536 -7.661 0.218 175 H CYS 28 H CYS 28 7.302 -3.910 2.918 176 HA CYS 28 HA CYS 28 7.623 -0.981 2.655 177 HB2 CYS 28 HB3 CYS 28 8.924 -2.969 4.544 178 HB3 CYS 28 HB2 CYS 28 9.142 -1.212 4.582 179 HG CYS 28 HG CYS 28 6.861 -2.954 6.171 180 H GLY 29 H GLY 29 9.483 -4.007 2.228 181 HA2 GLY 29 HA2 GLY 29 11.024 -4.201 0.369 182 HA3 GLY 29 HA3 GLY 29 11.363 -2.465 0.500 183 H GLY 30 H GLY 30 12.038 -1.969 2.995 184 HA2 GLY 30 HA3 GLY 30 13.441 -3.609 4.633 185 HA3 GLY 30 HA2 GLY 30 14.568 -3.431 3.274 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -7.021 -7.786 1.068 2 H2 ALA 1 H2 ALA 1 -6.522 -8.581 2.424 3 H3 ALA 1 H3 ALA 1 -8.120 -8.571 2.015 4 HA ALA 1 HA ALA 1 -8.285 -6.229 2.376 5 HB1 ALA 1 HB1 ALA 1 -8.727 -7.769 4.251 6 HB2 ALA 1 HB2 ALA 1 -7.009 -7.690 4.713 7 HB3 ALA 1 HB3 ALA 1 -8.024 -6.231 4.809 8 H GLY 2 H GLY 2 -7.364 -4.264 2.567 9 HA2 GLY 2 HA3 GLY 2 -5.574 -2.786 3.195 10 HA3 GLY 2 HA2 GLY 2 -4.434 -4.139 3.053 11 H GLU 3 H GLU 3 -6.369 -1.773 1.297 12 HA GLU 3 HA GLU 3 -4.547 -2.134 -1.045 13 HB2 GLU 3 HB3 GLU 3 -7.553 -1.753 -1.032 14 HB3 GLU 3 HB2 GLU 3 -6.549 -1.405 -2.450 15 HG2 GLU 3 HG2 GLU 3 -5.770 -3.728 -2.487 16 HG3 GLU 3 HG3 GLU 3 -6.761 -4.091 -1.061 17 H CYS 4 H CYS 4 -3.929 -0.299 -2.141 18 HA CYS 4 HA CYS 4 -4.254 2.216 -0.609 19 HB2 CYS 4 HB3 CYS 4 -2.421 1.490 -2.916 20 HB3 CYS 4 HB2 CYS 4 -2.439 3.048 -2.075 21 HG CYS 4 HG CYS 4 -2.044 0.470 0.073 22 H VAL 5 H VAL 5 -4.889 4.167 -1.517 23 HA VAL 5 HA VAL 5 -6.391 3.930 -4.091 24 HB VAL 5 HB VAL 5 -7.163 5.843 -1.857 25 HG11 VAL 5 HG11 VAL 5 -7.997 6.335 -4.132 26 HG12 VAL 5 HG12 VAL 5 -9.314 5.930 -3.005 27 HG13 VAL 5 HG13 VAL 5 -8.754 4.725 -4.190 28 HG21 VAL 5 HG21 VAL 5 -9.100 4.122 -1.525 29 HG22 VAL 5 HG22 VAL 5 -7.533 3.849 -0.727 30 HG23 VAL 5 HG23 VAL 5 -7.942 2.959 -2.212 31 H ARG 6 H ARG 6 -5.158 4.860 -5.572 32 HA ARG 6 HA ARG 6 -3.860 6.376 -6.708 33 HB2 ARG 6 HB3 ARG 6 -5.504 8.248 -4.993 34 HB3 ARG 6 HB2 ARG 6 -4.320 8.849 -6.164 35 HG2 ARG 6 HG2 ARG 6 -6.239 8.904 -7.426 36 HG3 ARG 6 HG3 ARG 6 -5.614 7.298 -7.847 37 HD2 ARG 6 HD2 ARG 6 -7.104 6.292 -6.145 38 HD3 ARG 6 HD3 ARG 6 -7.749 7.903 -5.770 39 HE ARG 6 HE ARG 6 -8.041 7.467 -8.554 40 HH11 ARG 6 HH11 ARG 6 -9.335 6.186 -5.511 41 HH12 ARG 6 HH12 ARG 6 -10.861 5.725 -6.233 42 HH21 ARG 6 HH21 ARG 6 -10.021 6.857 -9.445 43 HH22 ARG 6 HH22 ARG 6 -11.246 6.104 -8.448 44 H GLY 7 H GLY 7 -2.762 5.205 -4.214 45 HA2 GLY 7 HA3 GLY 7 -0.510 5.333 -3.482 46 HA3 GLY 7 HA2 GLY 7 -0.445 7.025 -4.006 47 H ARG 8 H ARG 8 -3.114 5.871 -2.042 48 HA ARG 8 HA ARG 8 -1.874 7.050 0.397 49 HB2 ARG 8 HB2 ARG 8 -4.546 7.794 -0.819 50 HB3 ARG 8 HB3 ARG 8 -4.171 8.075 0.890 51 HG2 ARG 8 HG2 ARG 8 -2.262 9.492 0.228 52 HG3 ARG 8 HG3 ARG 8 -2.656 9.216 -1.482 53 HD2 ARG 8 HD3 ARG 8 -4.866 10.257 -1.135 54 HD3 ARG 8 HD2 ARG 8 -4.465 10.528 0.573 55 HE ARG 8 HE ARG 8 -2.439 11.714 -1.023 56 HH11 ARG 8 HH11 ARG 8 -5.864 12.192 -0.245 57 HH12 ARG 8 HH12 ARG 8 -5.794 13.918 -0.521 58 HH21 ARG 8 HH21 ARG 8 -2.391 13.942 -1.368 59 HH22 ARG 8 HH22 ARG 8 -3.837 14.903 -1.153 60 H CYS 9 H CYS 9 -1.888 5.596 1.938 61 HA CYS 9 HA CYS 9 -4.307 3.908 2.324 62 HB2 CYS 9 HB3 CYS 9 -2.626 2.595 1.022 63 HB3 CYS 9 HB2 CYS 9 -1.470 2.826 2.343 64 HG CYS 9 HG CYS 9 -3.663 1.573 4.126 65 HA PRO 10 HA PRO 10 -3.212 5.456 6.430 66 HB2 PRO 10 HB3 PRO 10 -5.642 5.119 7.613 67 HB3 PRO 10 HB2 PRO 10 -5.350 6.421 6.424 68 HG2 PRO 10 HG2 PRO 10 -6.701 3.765 6.073 69 HG3 PRO 10 HG3 PRO 10 -7.148 5.366 5.423 70 HD2 PRO 10 HD3 PRO 10 -5.788 3.404 4.007 71 HD3 PRO 10 HD2 PRO 10 -5.751 5.150 3.617 72 H GLY 11 H GLY 11 -4.331 4.399 8.776 73 HA2 GLY 11 HA2 GLY 11 -4.540 2.411 10.056 74 HA3 GLY 11 HA3 GLY 11 -3.864 1.475 8.711 75 H GLY 12 H GLY 12 -1.608 3.363 8.347 76 HA2 GLY 12 HA2 GLY 12 0.387 4.007 9.471 77 HA3 GLY 12 HA3 GLY 12 -0.102 3.050 10.882 78 H LEU 13 H LEU 13 0.092 2.124 7.440 79 HA LEU 13 HA LEU 13 2.330 0.284 8.106 80 HB2 LEU 13 HB2 LEU 13 1.243 -1.468 6.661 81 HB3 LEU 13 HB3 LEU 13 0.485 -1.187 8.230 82 HG LEU 13 HG LEU 13 -0.612 0.134 5.748 83 HD11 LEU 13 HD11 LEU 13 -2.033 -2.287 6.426 84 HD12 LEU 13 HD12 LEU 13 -1.327 -1.790 4.869 85 HD13 LEU 13 HD13 LEU 13 -0.331 -2.658 6.062 86 HD21 LEU 13 HD21 LEU 13 -1.795 -0.784 8.393 87 HD22 LEU 13 HD22 LEU 13 -2.752 -0.144 7.035 88 HD23 LEU 13 HD23 LEU 13 -1.550 0.891 7.843 89 H CYS 14 H CYS 14 2.741 -0.912 5.657 90 HA CYS 14 HA CYS 14 3.728 1.413 4.109 91 HB2 CYS 14 HB3 CYS 14 4.379 -1.546 3.971 92 HB3 CYS 14 HB2 CYS 14 5.078 -0.313 2.909 93 HG CYS 14 HG CYS 14 5.955 1.121 5.469 94 H CYS 15 H CYS 15 3.596 1.525 1.833 95 HA CYS 15 HA CYS 15 1.266 0.068 0.658 96 HB2 CYS 15 HB3 CYS 15 0.618 2.367 1.185 97 HB3 CYS 15 HB2 CYS 15 2.031 2.985 0.317 98 HG CYS 15 HG CYS 15 1.014 2.918 -2.137 99 H SER 16 H SER 16 1.725 -1.042 -1.098 100 HA SER 16 HA SER 16 4.333 -0.647 -2.431 101 HB2 SER 16 HB3 SER 16 2.192 -2.784 -2.723 102 HB3 SER 16 HB2 SER 16 3.710 -2.746 -3.646 103 HG SER 16 HG SER 16 4.827 -2.846 -1.634 104 H LYS 17 H LYS 17 4.629 -0.160 -4.549 105 HA LYS 17 HA LYS 17 2.954 1.742 -5.766 106 HB2 LYS 17 HB2 LYS 17 5.146 -0.017 -6.864 107 HB3 LYS 17 HB3 LYS 17 4.325 1.195 -7.862 108 HG2 LYS 17 HG2 LYS 17 5.029 2.958 -6.292 109 HG3 LYS 17 HG3 LYS 17 5.853 1.740 -5.295 110 HD2 LYS 17 HD3 LYS 17 7.316 1.178 -7.204 111 HD3 LYS 17 HD2 LYS 17 6.491 2.403 -8.190 112 HE2 LYS 17 HE2 LYS 17 7.211 4.158 -6.628 113 HE3 LYS 17 HE3 LYS 17 8.031 2.940 -5.629 114 HZ1 LYS 17 HZ1 LYS 17 9.555 4.053 -7.101 115 HZ2 LYS 17 HZ2 LYS 17 9.452 2.457 -7.504 116 HZ3 LYS 17 HZ3 LYS 17 8.690 3.591 -8.428 117 H PHE 18 H PHE 18 2.667 -1.725 -5.890 118 HA PHE 18 HA PHE 18 1.150 -1.830 -8.375 119 HB2 PHE 18 HB2 PHE 18 1.575 -3.801 -6.115 120 HB3 PHE 18 HB3 PHE 18 0.581 -4.162 -7.536 121 HD1 PHE 18 HD1 PHE 18 1.616 -4.483 -9.723 122 HD2 PHE 18 HD2 PHE 18 3.989 -3.640 -6.287 123 HE1 PHE 18 HE1 PHE 18 3.629 -5.185 -10.943 124 HE2 PHE 18 HE2 PHE 18 6.004 -4.343 -7.504 125 HZ PHE 18 HZ PHE 18 5.827 -5.118 -9.835 126 H GLY 19 H GLY 19 0.434 -0.649 -5.319 127 HA2 GLY 19 HA3 GLY 19 -1.648 0.364 -4.779 128 HA3 GLY 19 HA2 GLY 19 -2.463 -0.727 -5.916 129 H PHE 20 H PHE 20 -0.231 -1.362 -3.172 130 HA PHE 20 HA PHE 20 -2.459 -2.784 -1.795 131 HB2 PHE 20 HB2 PHE 20 0.241 -3.965 -2.498 132 HB3 PHE 20 HB3 PHE 20 -0.809 -4.643 -1.242 133 HD1 PHE 20 HD1 PHE 20 -0.341 -4.144 -4.846 134 HD2 PHE 20 HD2 PHE 20 -2.891 -5.764 -1.841 135 HE1 PHE 20 HE1 PHE 20 -1.545 -5.427 -6.561 136 HE2 PHE 20 HE2 PHE 20 -4.097 -7.047 -3.554 137 HZ PHE 20 HZ PHE 20 -3.425 -6.882 -5.917 138 H CYS 21 H CYS 21 -1.939 -3.390 0.455 139 HA CYS 21 HA CYS 21 0.021 -1.510 1.706 140 HB2 CYS 21 HB2 CYS 21 -2.661 -2.265 2.888 141 HB3 CYS 21 HB3 CYS 21 -1.527 -1.035 3.469 142 HG CYS 21 HG CYS 21 -2.947 -0.679 0.339 143 H GLY 22 H GLY 22 0.974 -2.206 3.686 144 HA2 GLY 22 HA3 GLY 22 0.371 -4.639 5.004 145 HA3 GLY 22 HA2 GLY 22 1.581 -4.994 3.756 146 H SER 23 H SER 23 1.960 -5.333 6.536 147 HA SER 23 HA SER 23 3.953 -3.190 7.142 148 HB2 SER 23 HB2 SER 23 2.502 -5.073 9.036 149 HB3 SER 23 HB3 SER 23 3.714 -3.862 9.508 150 HG SER 23 HG SER 23 1.551 -3.094 9.745 151 H GLY 24 H GLY 24 6.019 -3.720 7.741 152 HA2 GLY 24 HA2 GLY 24 7.747 -5.246 8.366 153 HA3 GLY 24 HA3 GLY 24 6.750 -6.598 7.796 154 HA PRO 25 HA PRO 25 9.900 -5.423 4.491 155 HB2 PRO 25 HB2 PRO 25 11.136 -8.075 4.800 156 HB3 PRO 25 HB3 PRO 25 11.871 -6.463 5.023 157 HG2 PRO 25 HG3 PRO 25 11.411 -8.204 7.066 158 HG3 PRO 25 HG2 PRO 25 11.433 -6.429 7.266 159 HD2 PRO 25 HD2 PRO 25 9.072 -8.295 7.003 160 HD3 PRO 25 HD3 PRO 25 9.314 -6.904 8.108 161 H ALA 26 H ALA 26 7.491 -5.895 3.745 162 HA ALA 26 HA ALA 26 7.682 -8.034 1.693 163 HB1 ALA 26 HB1 ALA 26 6.371 -8.992 3.552 164 HB2 ALA 26 HB2 ALA 26 5.248 -7.614 3.464 165 HB3 ALA 26 HB3 ALA 26 5.373 -8.749 2.098 166 H TYR 27 H TYR 27 5.859 -5.259 2.963 167 HA TYR 27 HA TYR 27 5.352 -4.378 0.150 168 HB2 TYR 27 HB3 TYR 27 3.722 -3.904 2.672 169 HB3 TYR 27 HB2 TYR 27 3.427 -3.097 1.123 170 HD1 TYR 27 HD1 TYR 27 2.375 -4.270 -0.716 171 HD2 TYR 27 HD2 TYR 27 3.271 -6.333 2.905 172 HE1 TYR 27 HE1 TYR 27 0.958 -6.144 -1.432 173 HE2 TYR 27 HE2 TYR 27 1.859 -8.208 2.187 174 HH TYR 27 HH TYR 27 1.061 -9.136 -0.120 175 H CYS 28 H CYS 28 7.266 -3.886 2.785 176 HA CYS 28 HA CYS 28 7.302 -0.932 2.641 177 HB2 CYS 28 HB3 CYS 28 8.859 -2.857 4.397 178 HB3 CYS 28 HB2 CYS 28 8.899 -1.090 4.508 179 HG CYS 28 HG CYS 28 6.827 -3.150 6.039 180 H GLY 29 H GLY 29 9.424 -3.747 2.026 181 HA2 GLY 29 HA2 GLY 29 10.955 -3.783 0.182 182 HA3 GLY 29 HA3 GLY 29 11.033 -2.011 0.226 183 H GLY 30 H GLY 30 12.713 -4.785 0.833 184 HA2 GLY 30 HA2 GLY 30 14.692 -3.307 2.441 185 HA3 GLY 30 HA3 GLY 30 14.018 -4.770 3.185 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -8.800 -6.180 5.291 2 H2 ALA 1 H2 ALA 1 -9.385 -4.737 5.832 3 H3 ALA 1 H3 ALA 1 -10.381 -5.784 5.037 4 HA ALA 1 HA ALA 1 -9.163 -5.538 3.014 5 HB1 ALA 1 HB1 ALA 1 -11.049 -4.019 3.473 6 HB2 ALA 1 HB2 ALA 1 -9.779 -3.226 2.512 7 HB3 ALA 1 HB3 ALA 1 -9.930 -2.874 4.250 8 H GLY 2 H GLY 2 -7.396 -4.854 1.889 9 HA2 GLY 2 HA2 GLY 2 -5.401 -3.160 3.260 10 HA3 GLY 2 HA3 GLY 2 -4.905 -4.815 2.855 11 H GLU 3 H GLU 3 -6.535 -2.011 1.328 12 HA GLU 3 HA GLU 3 -4.767 -2.406 -1.051 13 HB2 GLU 3 HB3 GLU 3 -7.746 -1.849 -0.978 14 HB3 GLU 3 HB2 GLU 3 -6.745 -1.528 -2.404 15 HG2 GLU 3 HG2 GLU 3 -6.103 -3.897 -2.497 16 HG3 GLU 3 HG3 GLU 3 -7.109 -4.229 -1.074 17 H CYS 4 H CYS 4 -4.212 -0.545 -2.222 18 HA CYS 4 HA CYS 4 -4.274 1.925 -0.577 19 HB2 CYS 4 HB2 CYS 4 -2.595 1.022 -2.923 20 HB3 CYS 4 HB3 CYS 4 -2.568 2.688 -2.325 21 HG CYS 4 HG CYS 4 -2.058 0.377 0.113 22 H VAL 5 H VAL 5 -5.211 3.782 -1.171 23 HA VAL 5 HA VAL 5 -6.846 3.725 -3.658 24 HB VAL 5 HB VAL 5 -7.107 5.766 -1.418 25 HG11 VAL 5 HG11 VAL 5 -8.180 6.295 -3.583 26 HG12 VAL 5 HG12 VAL 5 -9.370 6.062 -2.280 27 HG13 VAL 5 HG13 VAL 5 -9.104 4.777 -3.482 28 HG21 VAL 5 HG21 VAL 5 -9.155 4.274 -0.776 29 HG22 VAL 5 HG22 VAL 5 -7.533 3.852 -0.176 30 HG23 VAL 5 HG23 VAL 5 -8.225 2.976 -1.563 31 H ARG 6 H ARG 6 -5.433 4.299 -5.224 32 HA ARG 6 HA ARG 6 -4.117 5.617 -6.564 33 HB2 ARG 6 HB3 ARG 6 -5.493 7.800 -4.981 34 HB3 ARG 6 HB2 ARG 6 -4.365 8.141 -6.304 35 HG2 ARG 6 HG2 ARG 6 -5.800 6.833 -7.841 36 HG3 ARG 6 HG3 ARG 6 -6.954 6.574 -6.516 37 HD2 ARG 6 HD3 ARG 6 -7.274 9.009 -6.321 38 HD3 ARG 6 HD2 ARG 6 -6.109 9.268 -7.635 39 HE ARG 6 HE ARG 6 -8.227 7.513 -8.477 40 HH11 ARG 6 HH11 ARG 6 -7.517 10.934 -7.872 41 HH12 ARG 6 HH12 ARG 6 -8.734 11.493 -8.997 42 HH21 ARG 6 HH21 ARG 6 -9.787 8.276 -9.917 43 HH22 ARG 6 HH22 ARG 6 -10.012 9.996 -10.148 44 H GLY 7 H GLY 7 -3.078 4.641 -3.933 45 HA2 GLY 7 HA3 GLY 7 -0.853 4.611 -3.170 46 HA3 GLY 7 HA2 GLY 7 -0.544 6.129 -4.033 47 H ARG 8 H ARG 8 -2.868 5.143 -1.474 48 HA ARG 8 HA ARG 8 -1.678 7.229 0.292 49 HB2 ARG 8 HB3 ARG 8 -4.607 6.924 -0.425 50 HB3 ARG 8 HB2 ARG 8 -4.053 7.784 1.021 51 HG2 ARG 8 HG2 ARG 8 -2.770 9.341 -0.389 52 HG3 ARG 8 HG3 ARG 8 -3.339 8.492 -1.841 53 HD2 ARG 8 HD2 ARG 8 -4.753 10.372 -1.619 54 HD3 ARG 8 HD3 ARG 8 -5.710 8.998 -1.031 55 HE ARG 8 HE ARG 8 -4.428 10.101 1.212 56 HH11 ARG 8 HH11 ARG 8 -6.811 11.160 -1.190 57 HH12 ARG 8 HH12 ARG 8 -7.587 12.270 -0.084 58 HH21 ARG 8 HH21 ARG 8 -5.458 11.543 2.606 59 HH22 ARG 8 HH22 ARG 8 -6.825 12.485 2.054 60 H CYS 9 H CYS 9 -1.125 6.426 2.161 61 HA CYS 9 HA CYS 9 -2.840 4.406 3.493 62 HB2 CYS 9 HB2 CYS 9 0.051 4.017 2.725 63 HB3 CYS 9 HB3 CYS 9 -0.617 3.220 4.159 64 HG CYS 9 HG CYS 9 -2.234 2.826 1.133 65 HA PRO 10 HA PRO 10 -1.912 6.894 7.043 66 HB2 PRO 10 HB2 PRO 10 -2.148 5.083 9.111 67 HB3 PRO 10 HB3 PRO 10 -3.548 5.703 8.188 68 HG2 PRO 10 HG3 PRO 10 -2.047 3.122 7.869 69 HG3 PRO 10 HG2 PRO 10 -3.809 3.413 7.891 70 HD2 PRO 10 HD3 PRO 10 -2.405 3.085 5.589 71 HD3 PRO 10 HD2 PRO 10 -3.835 4.157 5.689 72 H GLY 11 H GLY 11 -0.679 6.127 9.490 73 HA2 GLY 11 HA3 GLY 11 2.141 5.836 8.563 74 HA3 GLY 11 HA2 GLY 11 1.616 6.667 10.040 75 H GLY 12 H GLY 12 0.509 3.488 8.903 76 HA2 GLY 12 HA3 GLY 12 1.871 2.283 11.281 77 HA3 GLY 12 HA2 GLY 12 0.240 1.822 10.754 78 H LEU 13 H LEU 13 0.682 1.744 7.968 79 HA LEU 13 HA LEU 13 2.649 -0.484 7.732 80 HB2 LEU 13 HB2 LEU 13 1.114 -1.613 6.178 81 HB3 LEU 13 HB3 LEU 13 0.450 -1.472 7.806 82 HG LEU 13 HG LEU 13 -0.323 0.469 5.619 83 HD11 LEU 13 HD11 LEU 13 -2.379 -1.434 5.902 84 HD12 LEU 13 HD12 LEU 13 -1.328 -1.174 4.490 85 HD13 LEU 13 HD13 LEU 13 -0.874 -2.369 5.728 86 HD21 LEU 13 HD21 LEU 13 -2.526 0.026 7.185 87 HD22 LEU 13 HD22 LEU 13 -1.211 -0.166 8.369 88 HD23 LEU 13 HD23 LEU 13 -1.355 1.343 7.436 89 H CYS 14 H CYS 14 2.874 -1.000 5.184 90 HA CYS 14 HA CYS 14 3.610 1.625 3.956 91 HB2 CYS 14 HB2 CYS 14 4.815 -1.122 3.512 92 HB3 CYS 14 HB3 CYS 14 5.342 0.378 2.731 93 HG CYS 14 HG CYS 14 6.085 1.575 5.294 94 H CYS 15 H CYS 15 3.530 1.806 1.635 95 HA CYS 15 HA CYS 15 1.409 0.083 0.419 96 HB2 CYS 15 HB2 CYS 15 0.585 2.339 0.935 97 HB3 CYS 15 HB3 CYS 15 1.903 3.049 -0.010 98 HG CYS 15 HG CYS 15 0.838 2.686 -2.445 99 H SER 16 H SER 16 1.881 -0.914 -1.395 100 HA SER 16 HA SER 16 4.474 -0.350 -2.713 101 HB2 SER 16 HB2 SER 16 4.003 -2.505 -3.912 102 HB3 SER 16 HB3 SER 16 4.109 -2.666 -2.146 103 HG SER 16 HG SER 16 2.295 -3.782 -3.034 104 H LYS 17 H LYS 17 4.702 0.121 -4.857 105 HA LYS 17 HA LYS 17 2.852 1.878 -6.054 106 HB2 LYS 17 HB3 LYS 17 5.182 0.318 -7.176 107 HB3 LYS 17 HB2 LYS 17 4.233 1.444 -8.162 108 HG2 LYS 17 HG2 LYS 17 4.786 3.276 -6.626 109 HG3 LYS 17 HG3 LYS 17 5.736 2.157 -5.625 110 HD2 LYS 17 HD2 LYS 17 7.229 1.717 -7.533 111 HD3 LYS 17 HD3 LYS 17 6.277 2.828 -8.540 112 HE2 LYS 17 HE2 LYS 17 8.159 4.068 -7.808 113 HE3 LYS 17 HE3 LYS 17 6.799 4.630 -6.816 114 HZ1 LYS 17 HZ1 LYS 17 8.758 4.243 -5.498 115 HZ2 LYS 17 HZ2 LYS 17 8.837 2.669 -5.983 116 HZ3 LYS 17 HZ3 LYS 17 7.572 3.184 -5.059 117 H PHE 18 H PHE 18 2.785 -1.580 -6.075 118 HA PHE 18 HA PHE 18 1.316 -1.882 -8.573 119 HB2 PHE 18 HB3 PHE 18 1.789 -3.737 -6.217 120 HB3 PHE 18 HB2 PHE 18 0.873 -4.198 -7.662 121 HD1 PHE 18 HD1 PHE 18 1.988 -4.558 -9.787 122 HD2 PHE 18 HD2 PHE 18 4.206 -3.431 -6.329 123 HE1 PHE 18 HE1 PHE 18 4.073 -5.192 -10.921 124 HE2 PHE 18 HE2 PHE 18 6.293 -4.066 -7.459 125 HZ PHE 18 HZ PHE 18 6.230 -4.950 -9.757 126 H GLY 19 H GLY 19 0.496 -0.624 -5.570 127 HA2 GLY 19 HA3 GLY 19 -1.642 0.304 -5.102 128 HA3 GLY 19 HA2 GLY 19 -2.383 -0.875 -6.201 129 H PHE 20 H PHE 20 -0.151 -1.310 -3.420 130 HA PHE 20 HA PHE 20 -2.335 -2.732 -1.976 131 HB2 PHE 20 HB2 PHE 20 0.393 -3.893 -2.614 132 HB3 PHE 20 HB3 PHE 20 -0.686 -4.553 -1.374 133 HD1 PHE 20 HD1 PHE 20 -0.105 -4.151 -4.971 134 HD2 PHE 20 HD2 PHE 20 -2.744 -5.707 -2.009 135 HE1 PHE 20 HE1 PHE 20 -1.239 -5.492 -6.688 136 HE2 PHE 20 HE2 PHE 20 -3.879 -7.049 -3.724 137 HZ PHE 20 HZ PHE 20 -3.130 -6.944 -6.068 138 H CYS 21 H CYS 21 -1.955 -3.045 0.297 139 HA CYS 21 HA CYS 21 0.255 -1.420 1.445 140 HB2 CYS 21 HB2 CYS 21 -2.189 -0.307 1.247 141 HB3 CYS 21 HB3 CYS 21 -2.407 -1.188 2.768 142 HG CYS 21 HG CYS 21 -0.006 0.076 3.921 143 H GLY 22 H GLY 22 1.200 -2.297 3.182 144 HA2 GLY 22 HA3 GLY 22 -0.189 -4.163 4.928 145 HA3 GLY 22 HA2 GLY 22 0.960 -4.965 3.841 146 H SER 23 H SER 23 1.289 -5.175 6.533 147 HA SER 23 HA SER 23 3.465 -3.246 7.201 148 HB2 SER 23 HB2 SER 23 1.530 -3.492 8.792 149 HB3 SER 23 HB3 SER 23 2.025 -5.178 9.053 150 HG SER 23 HG SER 23 2.902 -3.739 10.631 151 H GLY 24 H GLY 24 5.469 -3.952 7.923 152 HA2 GLY 24 HA2 GLY 24 7.014 -5.702 8.537 153 HA3 GLY 24 HA3 GLY 24 6.041 -6.860 7.612 154 HA PRO 25 HA PRO 25 9.584 -5.240 4.951 155 HB2 PRO 25 HB2 PRO 25 10.958 -7.820 5.092 156 HB3 PRO 25 HB3 PRO 25 11.519 -6.228 5.673 157 HG2 PRO 25 HG2 PRO 25 10.880 -8.326 7.319 158 HG3 PRO 25 HG3 PRO 25 10.800 -6.608 7.799 159 HD2 PRO 25 HD3 PRO 25 8.582 -8.444 6.910 160 HD3 PRO 25 HD2 PRO 25 8.600 -7.252 8.249 161 H ALA 26 H ALA 26 7.349 -5.699 3.820 162 HA ALA 26 HA ALA 26 7.912 -7.578 1.596 163 HB1 ALA 26 HB1 ALA 26 6.451 -8.828 3.147 164 HB2 ALA 26 HB2 ALA 26 5.623 -8.458 1.616 165 HB3 ALA 26 HB3 ALA 26 5.258 -7.510 3.077 166 H TYR 27 H TYR 27 5.696 -5.121 2.922 167 HA TYR 27 HA TYR 27 5.342 -4.006 0.181 168 HB2 TYR 27 HB3 TYR 27 3.774 -3.512 2.741 169 HB3 TYR 27 HB2 TYR 27 3.451 -2.748 1.175 170 HD1 TYR 27 HD1 TYR 27 2.576 -4.115 -0.719 171 HD2 TYR 27 HD2 TYR 27 3.057 -5.771 3.179 172 HE1 TYR 27 HE1 TYR 27 1.120 -5.994 -1.337 173 HE2 TYR 27 HE2 TYR 27 1.600 -7.650 2.561 174 HH TYR 27 HH TYR 27 0.945 -8.810 0.313 175 H CYS 28 H CYS 28 7.217 -3.663 2.911 176 HA CYS 28 HA CYS 28 7.415 -0.713 2.767 177 HB2 CYS 28 HB2 CYS 28 8.665 -2.748 4.632 178 HB3 CYS 28 HB3 CYS 28 8.956 -1.003 4.717 179 HG CYS 28 HG CYS 28 6.595 -2.680 6.238 180 H GLY 29 H GLY 29 9.376 -3.653 2.257 181 HA2 GLY 29 HA2 GLY 29 11.580 -1.959 1.205 182 HA3 GLY 29 HA3 GLY 29 11.704 -3.670 1.657 183 H GLY 30 H GLY 30 10.002 -5.063 0.318 184 HA2 GLY 30 HA3 GLY 30 9.021 -4.646 -2.138 185 HA3 GLY 30 HA2 GLY 30 10.758 -4.586 -2.496 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -7.815 0.220 3.686 2 H2 ALA 1 H2 ALA 1 -8.814 -0.580 4.727 3 H3 ALA 1 H3 ALA 1 -7.803 0.595 5.292 4 HA ALA 1 HA ALA 1 -5.877 -0.689 4.759 5 HB1 ALA 1 HB1 ALA 1 -6.908 -0.937 6.985 6 HB2 ALA 1 HB2 ALA 1 -7.927 -2.255 6.359 7 HB3 ALA 1 HB3 ALA 1 -6.159 -2.454 6.430 8 H GLY 2 H GLY 2 -4.904 -2.389 3.754 9 HA2 GLY 2 HA2 GLY 2 -5.011 -4.608 2.758 10 HA3 GLY 2 HA3 GLY 2 -6.691 -4.281 2.290 11 H GLU 3 H GLU 3 -6.687 -1.955 1.025 12 HA GLU 3 HA GLU 3 -4.647 -2.233 -1.145 13 HB2 GLU 3 HB2 GLU 3 -7.631 -1.786 -1.352 14 HB3 GLU 3 HB3 GLU 3 -6.521 -1.396 -2.677 15 HG2 GLU 3 HG2 GLU 3 -5.783 -3.743 -2.741 16 HG3 GLU 3 HG3 GLU 3 -6.898 -4.131 -1.417 17 H CYS 4 H CYS 4 -4.003 -0.355 -2.212 18 HA CYS 4 HA CYS 4 -4.254 2.087 -0.560 19 HB2 CYS 4 HB2 CYS 4 -2.494 1.394 -2.928 20 HB3 CYS 4 HB3 CYS 4 -2.464 2.951 -2.083 21 HG CYS 4 HG CYS 4 -2.059 0.310 0.007 22 H VAL 5 H VAL 5 -4.836 4.111 -1.367 23 HA VAL 5 HA VAL 5 -6.403 4.046 -3.911 24 HB VAL 5 HB VAL 5 -7.118 5.840 -1.566 25 HG11 VAL 5 HG11 VAL 5 -7.981 6.453 -3.799 26 HG12 VAL 5 HG12 VAL 5 -8.755 4.855 -3.926 27 HG13 VAL 5 HG13 VAL 5 -9.285 6.004 -2.674 28 HG21 VAL 5 HG21 VAL 5 -9.065 4.126 -1.283 29 HG22 VAL 5 HG22 VAL 5 -7.938 2.986 -2.055 30 HG23 VAL 5 HG23 VAL 5 -7.486 3.791 -0.533 31 H ARG 6 H ARG 6 -5.389 5.172 -5.394 32 HA ARG 6 HA ARG 6 -4.169 6.781 -6.485 33 HB2 ARG 6 HB2 ARG 6 -5.401 8.489 -4.313 34 HB3 ARG 6 HB3 ARG 6 -4.400 9.171 -5.607 35 HG2 ARG 6 HG2 ARG 6 -5.972 8.244 -7.281 36 HG3 ARG 6 HG3 ARG 6 -6.984 7.614 -5.965 37 HD2 ARG 6 HD3 ARG 6 -7.994 9.654 -6.607 38 HD3 ARG 6 HD2 ARG 6 -7.113 10.016 -5.110 39 HE ARG 6 HE ARG 6 -5.409 10.570 -7.316 40 HH11 ARG 6 HH11 ARG 6 -8.354 11.841 -5.807 41 HH12 ARG 6 HH12 ARG 6 -8.055 13.475 -6.356 42 HH21 ARG 6 HH21 ARG 6 -5.060 12.690 -8.004 43 HH22 ARG 6 HH22 ARG 6 -6.199 13.952 -7.593 44 H GLY 7 H GLY 7 -2.862 5.227 -4.303 45 HA2 GLY 7 HA2 GLY 7 -0.567 5.102 -3.804 46 HA3 GLY 7 HA3 GLY 7 -0.378 6.809 -4.239 47 H ARG 8 H ARG 8 -2.980 6.044 -2.082 48 HA ARG 8 HA ARG 8 -1.311 6.758 0.287 49 HB2 ARG 8 HB2 ARG 8 -3.901 8.046 -0.606 50 HB3 ARG 8 HB3 ARG 8 -3.335 8.125 1.071 51 HG2 ARG 8 HG2 ARG 8 -1.277 9.246 0.326 52 HG3 ARG 8 HG3 ARG 8 -1.826 9.149 -1.360 53 HD2 ARG 8 HD3 ARG 8 -3.420 10.537 0.813 54 HD3 ARG 8 HD2 ARG 8 -2.192 11.369 -0.160 55 HE ARG 8 HE ARG 8 -4.053 10.016 -1.871 56 HH11 ARG 8 HH11 ARG 8 -3.796 12.875 0.209 57 HH12 ARG 8 HH12 ARG 8 -4.995 13.770 -0.696 58 HH21 ARG 8 HH21 ARG 8 -5.593 11.203 -3.010 59 HH22 ARG 8 HH22 ARG 8 -6.007 12.827 -2.510 60 H CYS 9 H CYS 9 -1.535 5.381 1.887 61 HA CYS 9 HA CYS 9 -4.129 3.955 2.230 62 HB2 CYS 9 HB2 CYS 9 -2.521 2.503 0.993 63 HB3 CYS 9 HB3 CYS 9 -1.400 2.625 2.359 64 HG CYS 9 HG CYS 9 -3.816 1.582 4.018 65 HA PRO 10 HA PRO 10 -3.073 5.427 6.371 66 HB2 PRO 10 HB2 PRO 10 -5.549 5.214 7.490 67 HB3 PRO 10 HB3 PRO 10 -5.159 6.487 6.296 68 HG2 PRO 10 HG2 PRO 10 -6.624 3.897 5.916 69 HG3 PRO 10 HG3 PRO 10 -6.982 5.519 5.260 70 HD2 PRO 10 HD3 PRO 10 -5.679 3.505 3.869 71 HD3 PRO 10 HD2 PRO 10 -5.542 5.250 3.494 72 H GLY 11 H GLY 11 -4.308 4.425 8.686 73 HA2 GLY 11 HA3 GLY 11 -4.648 2.434 9.951 74 HA3 GLY 11 HA2 GLY 11 -3.947 1.486 8.626 75 H GLY 12 H GLY 12 -1.619 3.291 8.356 76 HA2 GLY 12 HA2 GLY 12 0.339 3.875 9.591 77 HA3 GLY 12 HA3 GLY 12 -0.220 2.868 10.941 78 H LEU 13 H LEU 13 0.048 2.063 7.477 79 HA LEU 13 HA LEU 13 2.258 0.182 8.114 80 HB2 LEU 13 HB2 LEU 13 1.164 -1.532 6.630 81 HB3 LEU 13 HB3 LEU 13 0.401 -1.279 8.200 82 HG LEU 13 HG LEU 13 -0.672 0.095 5.736 83 HD11 LEU 13 HD11 LEU 13 -2.126 -2.317 6.371 84 HD12 LEU 13 HD12 LEU 13 -1.399 -1.810 4.827 85 HD13 LEU 13 HD13 LEU 13 -0.425 -2.706 6.017 86 HD21 LEU 13 HD21 LEU 13 -1.881 -0.845 8.361 87 HD22 LEU 13 HD22 LEU 13 -1.614 0.834 7.836 88 HD23 LEU 13 HD23 LEU 13 -2.822 -0.176 7.006 89 H CYS 14 H CYS 14 2.670 -0.960 5.636 90 HA CYS 14 HA CYS 14 3.631 1.410 4.131 91 HB2 CYS 14 HB3 CYS 14 4.377 -1.526 3.986 92 HB3 CYS 14 HB2 CYS 14 5.047 -0.267 2.935 93 HG CYS 14 HG CYS 14 5.860 1.187 5.501 94 H CYS 15 H CYS 15 3.552 1.489 1.832 95 HA CYS 15 HA CYS 15 1.255 -0.008 0.644 96 HB2 CYS 15 HB3 CYS 15 0.557 2.279 1.154 97 HB3 CYS 15 HB2 CYS 15 1.966 2.921 0.296 98 HG CYS 15 HG CYS 15 0.977 2.815 -2.170 99 H SER 16 H SER 16 1.707 -1.069 -1.147 100 HA SER 16 HA SER 16 4.330 -0.632 -2.450 101 HB2 SER 16 HB2 SER 16 3.759 -2.756 -3.661 102 HB3 SER 16 HB3 SER 16 3.854 -2.924 -1.895 103 HG SER 16 HG SER 16 1.486 -2.674 -3.463 104 H LYS 17 H LYS 17 4.617 -0.155 -4.571 105 HA LYS 17 HA LYS 17 2.908 1.704 -5.801 106 HB2 LYS 17 HB3 LYS 17 5.123 -0.029 -6.908 107 HB3 LYS 17 HB2 LYS 17 4.278 1.179 -7.890 108 HG2 LYS 17 HG2 LYS 17 4.968 2.948 -6.340 109 HG3 LYS 17 HG3 LYS 17 5.804 1.749 -5.332 110 HD2 LYS 17 HD2 LYS 17 7.278 1.189 -7.226 111 HD3 LYS 17 HD3 LYS 17 6.443 2.392 -8.232 112 HE2 LYS 17 HE2 LYS 17 7.137 4.171 -6.679 113 HE3 LYS 17 HE3 LYS 17 7.969 2.971 -5.669 114 HZ1 LYS 17 HZ1 LYS 17 9.482 4.091 -7.146 115 HZ2 LYS 17 HZ2 LYS 17 9.400 2.491 -7.538 116 HZ3 LYS 17 HZ3 LYS 17 8.626 3.609 -8.471 117 H PHE 18 H PHE 18 2.657 -1.762 -5.886 118 HA PHE 18 HA PHE 18 1.153 -1.920 -8.376 119 HB2 PHE 18 HB2 PHE 18 1.571 -3.850 -6.078 120 HB3 PHE 18 HB3 PHE 18 0.595 -4.240 -7.504 121 HD1 PHE 18 HD1 PHE 18 1.655 -4.606 -9.668 122 HD2 PHE 18 HD2 PHE 18 3.989 -3.659 -6.232 123 HE1 PHE 18 HE1 PHE 18 3.685 -5.315 -10.853 124 HE2 PHE 18 HE2 PHE 18 6.021 -4.369 -7.415 125 HZ PHE 18 HZ PHE 18 5.872 -5.198 -9.729 126 H GLY 19 H GLY 19 0.413 -0.692 -5.343 127 HA2 GLY 19 HA3 GLY 19 -1.670 0.314 -4.816 128 HA3 GLY 19 HA2 GLY 19 -2.477 -0.778 -5.958 129 H PHE 20 H PHE 20 -0.265 -1.432 -3.204 130 HA PHE 20 HA PHE 20 -2.514 -2.824 -1.831 131 HB2 PHE 20 HB3 PHE 20 0.174 -4.057 -2.508 132 HB3 PHE 20 HB2 PHE 20 -0.921 -4.712 -1.280 133 HD1 PHE 20 HD1 PHE 20 -2.999 -5.796 -1.908 134 HD2 PHE 20 HD2 PHE 20 -0.390 -4.204 -4.876 135 HE1 PHE 20 HE1 PHE 20 -4.207 -7.051 -3.640 136 HE2 PHE 20 HE2 PHE 20 -1.598 -5.456 -6.612 137 HZ PHE 20 HZ PHE 20 -3.508 -6.883 -5.995 138 H CYS 21 H CYS 21 -2.056 -3.390 0.419 139 HA CYS 21 HA CYS 21 -0.070 -1.534 1.670 140 HB2 CYS 21 HB2 CYS 21 -2.733 -2.314 2.875 141 HB3 CYS 21 HB3 CYS 21 -1.616 -1.055 3.426 142 HG CYS 21 HG CYS 21 -3.103 -0.783 0.315 143 H GLY 22 H GLY 22 0.891 -2.224 3.646 144 HA2 GLY 22 HA2 GLY 22 0.320 -4.643 4.979 145 HA3 GLY 22 HA3 GLY 22 1.510 -5.017 3.718 146 H SER 23 H SER 23 1.859 -5.267 6.552 147 HA SER 23 HA SER 23 3.885 -3.136 7.081 148 HB2 SER 23 HB2 SER 23 1.981 -3.369 8.714 149 HB3 SER 23 HB3 SER 23 2.575 -5.000 9.092 150 HG SER 23 HG SER 23 3.385 -3.400 10.545 151 H GLY 24 H GLY 24 5.949 -3.669 7.716 152 HA2 GLY 24 HA2 GLY 24 7.647 -5.224 8.388 153 HA3 GLY 24 HA3 GLY 24 6.665 -6.557 7.753 154 HA PRO 25 HA PRO 25 9.911 -5.285 4.576 155 HB2 PRO 25 HB2 PRO 25 11.180 -7.922 4.875 156 HB3 PRO 25 HB3 PRO 25 11.881 -6.302 5.150 157 HG2 PRO 25 HG2 PRO 25 11.393 -8.085 7.152 158 HG3 PRO 25 HG3 PRO 25 11.371 -6.313 7.375 159 HD2 PRO 25 HD3 PRO 25 9.060 -8.213 6.992 160 HD3 PRO 25 HD2 PRO 25 9.231 -6.857 8.152 161 H ALA 26 H ALA 26 7.530 -5.786 3.754 162 HA ALA 26 HA ALA 26 7.821 -7.862 1.654 163 HB1 ALA 26 HB1 ALA 26 6.511 -8.928 3.456 164 HB2 ALA 26 HB2 ALA 26 5.343 -7.587 3.393 165 HB3 ALA 26 HB3 ALA 26 5.531 -8.669 1.993 166 H TYR 27 H TYR 27 5.888 -5.192 2.984 167 HA TYR 27 HA TYR 27 5.353 -4.260 0.194 168 HB2 TYR 27 HB2 TYR 27 3.768 -3.851 2.751 169 HB3 TYR 27 HB3 TYR 27 3.426 -3.013 1.228 170 HD1 TYR 27 HD1 TYR 27 2.374 -4.196 -0.626 171 HD2 TYR 27 HD2 TYR 27 3.335 -6.266 2.973 172 HE1 TYR 27 HE1 TYR 27 0.972 -6.084 -1.337 173 HE2 TYR 27 HE2 TYR 27 1.936 -8.155 2.263 174 HH TYR 27 HH TYR 27 0.919 -8.640 -0.806 175 H CYS 28 H CYS 28 7.281 -3.773 2.835 176 HA CYS 28 HA CYS 28 7.293 -0.818 2.698 177 HB2 CYS 28 HB2 CYS 28 8.853 -2.737 4.451 178 HB3 CYS 28 HB3 CYS 28 8.885 -0.970 4.576 179 HG CYS 28 HG CYS 28 6.840 -3.056 6.097 180 H GLY 29 H GLY 29 9.425 -3.618 2.066 181 HA2 GLY 29 HA2 GLY 29 10.929 -1.983 0.141 182 HA3 GLY 29 HA3 GLY 29 11.857 -2.570 1.535 183 H GLY 30 H GLY 30 10.356 -3.350 -1.497 184 HA2 GLY 30 HA2 GLY 30 11.888 -5.358 -2.368 185 HA3 GLY 30 HA3 GLY 30 10.894 -6.238 -1.190 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -7.931 -6.885 2.210 2 H2 ALA 1 H2 ALA 1 -7.344 -8.012 3.261 3 H3 ALA 1 H3 ALA 1 -8.876 -7.430 3.447 4 HA ALA 1 HA ALA 1 -8.077 -5.251 3.953 5 HB1 ALA 1 HB1 ALA 1 -8.417 -6.863 5.789 6 HB2 ALA 1 HB2 ALA 1 -6.731 -7.408 5.614 7 HB3 ALA 1 HB3 ALA 1 -7.078 -5.741 6.132 8 H GLY 2 H GLY 2 -6.582 -3.737 3.668 9 HA2 GLY 2 HA2 GLY 2 -4.319 -2.942 3.679 10 HA3 GLY 2 HA3 GLY 2 -3.755 -4.577 3.280 11 H GLU 3 H GLU 3 -5.715 -1.885 1.977 12 HA GLU 3 HA GLU 3 -4.520 -2.446 -0.706 13 HB2 GLU 3 HB2 GLU 3 -7.393 -1.794 -0.009 14 HB3 GLU 3 HB3 GLU 3 -6.735 -1.575 -1.640 15 HG2 GLU 3 HG3 GLU 3 -6.185 -3.977 -1.732 16 HG3 GLU 3 HG2 GLU 3 -6.846 -4.184 -0.098 17 H CYS 4 H CYS 4 -4.023 -0.696 -1.982 18 HA CYS 4 HA CYS 4 -3.868 1.893 -0.527 19 HB2 CYS 4 HB2 CYS 4 -2.405 0.743 -2.907 20 HB3 CYS 4 HB3 CYS 4 -2.318 2.464 -2.498 21 HG CYS 4 HG CYS 4 -1.474 0.077 -0.138 22 H VAL 5 H VAL 5 -4.992 3.626 -1.083 23 HA VAL 5 HA VAL 5 -6.703 3.452 -3.515 24 HB VAL 5 HB VAL 5 -7.006 5.503 -1.289 25 HG11 VAL 5 HG11 VAL 5 -8.176 5.942 -3.424 26 HG12 VAL 5 HG12 VAL 5 -9.008 4.375 -3.277 27 HG13 VAL 5 HG13 VAL 5 -9.310 5.659 -2.081 28 HG21 VAL 5 HG21 VAL 5 -8.946 3.908 -0.562 29 HG22 VAL 5 HG22 VAL 5 -7.285 3.582 -0.012 30 HG23 VAL 5 HG23 VAL 5 -7.972 2.653 -1.365 31 H ARG 6 H ARG 6 -5.371 4.087 -5.131 32 HA ARG 6 HA ARG 6 -4.156 5.454 -6.516 33 HB2 ARG 6 HB2 ARG 6 -5.662 7.557 -4.949 34 HB3 ARG 6 HB3 ARG 6 -4.579 7.970 -6.289 35 HG2 ARG 6 HG3 ARG 6 -5.939 6.552 -7.797 36 HG3 ARG 6 HG2 ARG 6 -7.032 6.190 -6.444 37 HD2 ARG 6 HD2 ARG 6 -7.584 8.567 -6.231 38 HD3 ARG 6 HD3 ARG 6 -6.466 8.960 -7.552 39 HE ARG 6 HE ARG 6 -8.418 7.015 -8.389 40 HH11 ARG 6 HH11 ARG 6 -8.025 10.481 -7.758 41 HH12 ARG 6 HH12 ARG 6 -9.306 10.934 -8.861 42 HH21 ARG 6 HH21 ARG 6 -10.063 7.641 -9.802 43 HH22 ARG 6 HH22 ARG 6 -10.453 9.333 -10.012 44 H GLY 7 H GLY 7 -2.992 4.606 -3.896 45 HA2 GLY 7 HA3 GLY 7 -0.752 4.757 -3.186 46 HA3 GLY 7 HA2 GLY 7 -0.585 6.288 -4.065 47 H ARG 8 H ARG 8 -2.898 5.247 -1.529 48 HA ARG 8 HA ARG 8 -1.771 7.355 0.254 49 HB2 ARG 8 HB2 ARG 8 -4.672 6.963 -0.514 50 HB3 ARG 8 HB3 ARG 8 -4.188 7.827 0.954 51 HG2 ARG 8 HG2 ARG 8 -2.918 9.434 -0.428 52 HG3 ARG 8 HG3 ARG 8 -3.440 8.574 -1.892 53 HD2 ARG 8 HD2 ARG 8 -5.792 9.049 -1.321 54 HD3 ARG 8 HD3 ARG 8 -5.261 9.925 0.129 55 HE ARG 8 HE ARG 8 -3.934 11.090 -2.060 56 HH11 ARG 8 HH11 ARG 8 -7.278 10.706 -0.949 57 HH12 ARG 8 HH12 ARG 8 -7.815 12.181 -1.723 58 HH21 ARG 8 HH21 ARG 8 -4.664 12.983 -3.042 59 HH22 ARG 8 HH22 ARG 8 -6.341 13.463 -2.902 60 H CYS 9 H CYS 9 -1.155 6.513 2.084 61 HA CYS 9 HA CYS 9 -2.834 4.454 3.413 62 HB2 CYS 9 HB2 CYS 9 0.094 4.176 2.714 63 HB3 CYS 9 HB3 CYS 9 -0.623 3.295 4.073 64 HG CYS 9 HG CYS 9 -2.064 3.007 0.946 65 HA PRO 10 HA PRO 10 -1.985 6.953 6.977 66 HB2 PRO 10 HB3 PRO 10 -2.231 5.131 9.030 67 HB3 PRO 10 HB2 PRO 10 -3.629 5.742 8.098 68 HG2 PRO 10 HG2 PRO 10 -2.100 3.171 7.803 69 HG3 PRO 10 HG3 PRO 10 -3.863 3.456 7.779 70 HD2 PRO 10 HD3 PRO 10 -2.393 3.137 5.513 71 HD3 PRO 10 HD2 PRO 10 -3.848 4.178 5.579 72 H GLY 11 H GLY 11 -0.779 6.183 9.440 73 HA2 GLY 11 HA2 GLY 11 2.051 5.900 8.545 74 HA3 GLY 11 HA3 GLY 11 1.516 6.740 10.013 75 H GLY 12 H GLY 12 0.433 3.555 8.859 76 HA2 GLY 12 HA2 GLY 12 1.776 2.350 11.245 77 HA3 GLY 12 HA3 GLY 12 0.148 1.883 10.714 78 H LEU 13 H LEU 13 0.528 1.742 7.959 79 HA LEU 13 HA LEU 13 2.511 -0.476 7.729 80 HB2 LEU 13 HB2 LEU 13 0.997 -1.549 6.116 81 HB3 LEU 13 HB3 LEU 13 0.281 -1.406 7.723 82 HG LEU 13 HG LEU 13 -0.363 0.613 5.574 83 HD11 LEU 13 HD11 LEU 13 -2.453 -1.256 5.621 84 HD12 LEU 13 HD12 LEU 13 -1.291 -0.974 4.303 85 HD13 LEU 13 HD13 LEU 13 -0.965 -2.227 5.525 86 HD21 LEU 13 HD21 LEU 13 -2.645 0.088 7.012 87 HD22 LEU 13 HD22 LEU 13 -1.499 1.404 7.359 88 HD23 LEU 13 HD23 LEU 13 -1.378 -0.137 8.242 89 H CYS 14 H CYS 14 2.789 -0.962 5.178 90 HA CYS 14 HA CYS 14 3.634 1.657 4.012 91 HB2 CYS 14 HB3 CYS 14 4.743 -1.124 3.509 92 HB3 CYS 14 HB2 CYS 14 5.333 0.383 2.791 93 HG CYS 14 HG CYS 14 6.032 1.466 5.432 94 H CYS 15 H CYS 15 3.463 2.003 1.771 95 HA CYS 15 HA CYS 15 1.282 0.409 0.498 96 HB2 CYS 15 HB2 CYS 15 0.777 2.788 0.965 97 HB3 CYS 15 HB3 CYS 15 2.147 3.267 -0.049 98 HG CYS 15 HG CYS 15 0.738 3.374 -2.266 99 H SER 16 H SER 16 1.682 -0.712 -1.270 100 HA SER 16 HA SER 16 4.342 -0.439 -2.556 101 HB2 SER 16 HB3 SER 16 2.196 -2.582 -2.701 102 HB3 SER 16 HB2 SER 16 3.666 -2.588 -3.700 103 HG SER 16 HG SER 16 4.837 -2.473 -1.642 104 H LYS 17 H LYS 17 4.662 0.104 -4.625 105 HA LYS 17 HA LYS 17 2.923 1.876 -5.939 106 HB2 LYS 17 HB2 LYS 17 5.257 0.235 -6.918 107 HB3 LYS 17 HB3 LYS 17 4.397 1.363 -7.979 108 HG2 LYS 17 HG2 LYS 17 4.918 3.205 -6.417 109 HG3 LYS 17 HG3 LYS 17 5.808 2.066 -5.385 110 HD2 LYS 17 HD3 LYS 17 7.357 1.593 -7.236 111 HD3 LYS 17 HD2 LYS 17 6.455 2.709 -8.281 112 HE2 LYS 17 HE2 LYS 17 6.981 4.567 -6.753 113 HE3 LYS 17 HE3 LYS 17 7.896 3.454 -5.714 114 HZ1 LYS 17 HZ1 LYS 17 9.329 4.665 -7.199 115 HZ2 LYS 17 HZ2 LYS 17 8.526 4.094 -8.522 116 HZ3 LYS 17 HZ3 LYS 17 9.377 3.057 -7.563 117 H PHE 18 H PHE 18 2.873 -1.608 -6.026 118 HA PHE 18 HA PHE 18 1.429 -1.841 -8.547 119 HB2 PHE 18 HB3 PHE 18 1.908 -3.770 -6.253 120 HB3 PHE 18 HB2 PHE 18 1.010 -4.194 -7.721 121 HD1 PHE 18 HD1 PHE 18 2.141 -4.504 -9.832 122 HD2 PHE 18 HD2 PHE 18 4.324 -3.387 -6.349 123 HE1 PHE 18 HE1 PHE 18 4.243 -5.067 -10.971 124 HE2 PHE 18 HE2 PHE 18 6.428 -3.951 -7.484 125 HZ PHE 18 HZ PHE 18 6.392 -4.794 -9.798 126 H GLY 19 H GLY 19 0.566 -0.685 -5.522 127 HA2 GLY 19 HA2 GLY 19 -1.577 0.185 -5.016 128 HA3 GLY 19 HA3 GLY 19 -2.308 -0.941 -6.177 129 H PHE 20 H PHE 20 -0.054 -1.551 -3.447 130 HA PHE 20 HA PHE 20 -2.237 -2.959 -2.003 131 HB2 PHE 20 HB3 PHE 20 0.370 -4.273 -2.838 132 HB3 PHE 20 HB2 PHE 20 -0.720 -4.922 -1.602 133 HD1 PHE 20 HD1 PHE 20 -2.901 -5.839 -2.216 134 HD2 PHE 20 HD2 PHE 20 -0.210 -4.392 -5.185 135 HE1 PHE 20 HE1 PHE 20 -4.201 -6.991 -3.953 136 HE2 PHE 20 HE2 PHE 20 -1.508 -5.541 -6.925 137 HZ PHE 20 HZ PHE 20 -3.507 -6.844 -6.313 138 H CYS 21 H CYS 21 -2.243 -2.419 0.043 139 HA CYS 21 HA CYS 21 0.267 -1.338 1.238 140 HB2 CYS 21 HB3 CYS 21 -2.150 -0.137 1.080 141 HB3 CYS 21 HB2 CYS 21 -2.348 -1.003 2.612 142 HG CYS 21 HG CYS 21 0.127 0.180 3.685 143 H GLY 22 H GLY 22 1.101 -2.135 3.111 144 HA2 GLY 22 HA3 GLY 22 -0.319 -3.976 4.819 145 HA3 GLY 22 HA2 GLY 22 0.785 -4.838 3.730 146 H SER 23 H SER 23 1.145 -5.063 6.407 147 HA SER 23 HA SER 23 3.384 -3.207 7.061 148 HB2 SER 23 HB2 SER 23 3.105 -4.100 9.390 149 HB3 SER 23 HB3 SER 23 1.694 -3.217 8.769 150 HG SER 23 HG SER 23 1.118 -5.203 9.796 151 H GLY 24 H GLY 24 5.357 -3.985 7.842 152 HA2 GLY 24 HA2 GLY 24 6.862 -5.776 8.412 153 HA3 GLY 24 HA3 GLY 24 5.867 -6.894 7.460 154 HA PRO 25 HA PRO 25 9.475 -5.287 4.860 155 HB2 PRO 25 HB3 PRO 25 10.785 -7.907 4.989 156 HB3 PRO 25 HB2 PRO 25 11.399 -6.328 5.555 157 HG2 PRO 25 HG2 PRO 25 10.724 -8.388 7.222 158 HG3 PRO 25 HG3 PRO 25 10.653 -6.665 7.687 159 HD2 PRO 25 HD2 PRO 25 8.417 -8.494 6.816 160 HD3 PRO 25 HD3 PRO 25 8.458 -7.280 8.134 161 H ALA 26 H ALA 26 7.226 -5.706 3.724 162 HA ALA 26 HA ALA 26 7.771 -7.575 1.482 163 HB1 ALA 26 HB1 ALA 26 6.270 -8.795 3.017 164 HB2 ALA 26 HB2 ALA 26 5.463 -8.399 1.481 165 HB3 ALA 26 HB3 ALA 26 5.108 -7.449 2.943 166 H TYR 27 H TYR 27 5.621 -5.061 2.806 167 HA TYR 27 HA TYR 27 5.328 -3.923 0.064 168 HB2 TYR 27 HB2 TYR 27 3.708 -3.391 2.581 169 HB3 TYR 27 HB3 TYR 27 3.403 -2.684 0.986 170 HD1 TYR 27 HD1 TYR 27 2.909 -5.563 3.138 171 HD2 TYR 27 HD2 TYR 27 2.642 -4.208 -0.893 172 HE1 TYR 27 HE1 TYR 27 1.479 -7.483 2.587 173 HE2 TYR 27 HE2 TYR 27 1.211 -6.125 -1.444 174 HH TYR 27 HH TYR 27 0.877 -8.519 -0.454 175 H CYS 28 H CYS 28 7.178 -3.651 2.796 176 HA CYS 28 HA CYS 28 7.383 -0.699 2.750 177 HB2 CYS 28 HB2 CYS 28 8.653 -2.788 4.540 178 HB3 CYS 28 HB3 CYS 28 8.910 -1.042 4.690 179 HG CYS 28 HG CYS 28 6.562 -2.834 6.121 180 H GLY 29 H GLY 29 9.389 -3.615 2.205 181 HA2 GLY 29 HA2 GLY 29 10.957 -3.593 0.333 182 HA3 GLY 29 HA3 GLY 29 11.268 -1.877 0.663 183 H GLY 30 H GLY 30 12.560 -1.277 2.449 184 HA2 GLY 30 HA2 GLY 30 13.658 -2.613 4.490 185 HA3 GLY 30 HA3 GLY 30 14.538 -3.360 3.142 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -7.593 -7.815 3.815 2 H2 ALA 1 H2 ALA 1 -9.190 -7.682 4.206 3 H3 ALA 1 H3 ALA 1 -8.037 -7.125 5.246 4 HA ALA 1 HA ALA 1 -8.630 -6.049 2.575 5 HB1 ALA 1 HB1 ALA 1 -10.345 -5.519 4.266 6 HB2 ALA 1 HB2 ALA 1 -9.082 -4.851 5.328 7 HB3 ALA 1 HB3 ALA 1 -9.437 -4.071 3.768 8 H GLY 2 H GLY 2 -7.369 -4.341 1.859 9 HA2 GLY 2 HA3 GLY 2 -5.442 -2.872 3.149 10 HA3 GLY 2 HA2 GLY 2 -4.620 -4.410 2.825 11 H GLU 3 H GLU 3 -6.416 -1.749 1.293 12 HA GLU 3 HA GLU 3 -4.732 -2.141 -1.144 13 HB2 GLU 3 HB3 GLU 3 -7.710 -1.598 -0.980 14 HB3 GLU 3 HB2 GLU 3 -6.753 -1.270 -2.435 15 HG2 GLU 3 HG2 GLU 3 -6.112 -3.630 -2.566 16 HG3 GLU 3 HG3 GLU 3 -7.049 -3.976 -1.100 17 H CYS 4 H CYS 4 -3.979 -0.330 -2.144 18 HA CYS 4 HA CYS 4 -4.151 2.165 -0.561 19 HB2 CYS 4 HB2 CYS 4 -2.397 1.332 -2.888 20 HB3 CYS 4 HB3 CYS 4 -2.327 2.922 -2.112 21 HG CYS 4 HG CYS 4 -2.000 0.314 0.053 22 H VAL 5 H VAL 5 -4.661 4.180 -1.424 23 HA VAL 5 HA VAL 5 -6.186 4.110 -3.994 24 HB VAL 5 HB VAL 5 -6.923 5.944 -1.686 25 HG11 VAL 5 HG11 VAL 5 -7.718 6.549 -3.948 26 HG12 VAL 5 HG12 VAL 5 -8.520 4.965 -4.077 27 HG13 VAL 5 HG13 VAL 5 -9.058 6.138 -2.851 28 HG21 VAL 5 HG21 VAL 5 -8.911 4.272 -1.435 29 HG22 VAL 5 HG22 VAL 5 -7.787 3.101 -2.165 30 HG23 VAL 5 HG23 VAL 5 -7.358 3.914 -0.641 31 H ARG 6 H ARG 6 -5.055 5.161 -5.451 32 HA ARG 6 HA ARG 6 -3.760 6.720 -6.524 33 HB2 ARG 6 HB3 ARG 6 -5.096 8.513 -4.483 34 HB3 ARG 6 HB2 ARG 6 -4.009 9.135 -5.737 35 HG2 ARG 6 HG2 ARG 6 -5.476 8.167 -7.474 36 HG3 ARG 6 HG3 ARG 6 -6.586 7.606 -6.206 37 HD2 ARG 6 HD3 ARG 6 -6.937 9.932 -5.481 38 HD3 ARG 6 HD2 ARG 6 -5.812 10.494 -6.734 39 HE ARG 6 HE ARG 6 -7.969 8.915 -7.840 40 HH11 ARG 6 HH11 ARG 6 -7.135 12.166 -6.696 41 HH12 ARG 6 HH12 ARG 6 -8.356 12.939 -7.681 42 HH21 ARG 6 HH21 ARG 6 -9.531 9.952 -9.094 43 HH22 ARG 6 HH22 ARG 6 -9.705 11.691 -9.031 44 H GLY 7 H GLY 7 -2.589 5.229 -4.223 45 HA2 GLY 7 HA2 GLY 7 -0.313 5.105 -3.623 46 HA3 GLY 7 HA3 GLY 7 -0.102 6.809 -4.065 47 H ARG 8 H ARG 8 -2.787 5.954 -2.008 48 HA ARG 8 HA ARG 8 -1.247 6.752 0.418 49 HB2 ARG 8 HB3 ARG 8 -3.837 7.971 -0.579 50 HB3 ARG 8 HB2 ARG 8 -3.320 8.073 1.113 51 HG2 ARG 8 HG2 ARG 8 -1.251 9.214 0.411 52 HG3 ARG 8 HG3 ARG 8 -1.791 9.141 -1.279 53 HD2 ARG 8 HD2 ARG 8 -3.769 10.486 -0.707 54 HD3 ARG 8 HD3 ARG 8 -3.244 10.549 0.987 55 HE ARG 8 HE ARG 8 -1.172 11.528 -0.741 56 HH11 ARG 8 HH11 ARG 8 -4.304 12.472 0.624 57 HH12 ARG 8 HH12 ARG 8 -3.944 14.182 0.537 58 HH21 ARG 8 HH21 ARG 8 -0.747 13.741 -0.836 59 HH22 ARG 8 HH22 ARG 8 -1.940 14.896 -0.286 60 H CYS 9 H CYS 9 -1.489 5.359 2.000 61 HA CYS 9 HA CYS 9 -4.072 3.901 2.281 62 HB2 CYS 9 HB2 CYS 9 -2.445 2.465 1.057 63 HB3 CYS 9 HB3 CYS 9 -1.335 2.589 2.432 64 HG CYS 9 HG CYS 9 -3.732 1.512 4.081 65 HA PRO 10 HA PRO 10 -3.089 5.335 6.451 66 HB2 PRO 10 HB3 PRO 10 -5.576 5.073 7.532 67 HB3 PRO 10 HB2 PRO 10 -5.189 6.376 6.370 68 HG2 PRO 10 HG2 PRO 10 -6.613 3.769 5.934 69 HG3 PRO 10 HG3 PRO 10 -6.985 5.393 5.291 70 HD2 PRO 10 HD3 PRO 10 -5.638 3.413 3.893 71 HD3 PRO 10 HD2 PRO 10 -5.517 5.163 3.540 72 H GLY 11 H GLY 11 -4.338 4.296 8.739 73 HA2 GLY 11 HA2 GLY 11 -4.661 2.309 9.994 74 HA3 GLY 11 HA3 GLY 11 -3.980 1.357 8.662 75 H GLY 12 H GLY 12 -1.641 3.169 8.397 76 HA2 GLY 12 HA2 GLY 12 0.331 3.728 9.613 77 HA3 GLY 12 HA3 GLY 12 -0.234 2.742 10.975 78 H LEU 13 H LEU 13 0.029 1.904 7.517 79 HA LEU 13 HA LEU 13 2.204 -0.008 8.183 80 HB2 LEU 13 HB2 LEU 13 1.105 -1.706 6.690 81 HB3 LEU 13 HB3 LEU 13 0.316 -1.432 8.245 82 HG LEU 13 HG LEU 13 -0.685 -0.052 5.752 83 HD11 LEU 13 HD11 LEU 13 -2.184 -2.442 6.392 84 HD12 LEU 13 HD12 LEU 13 -0.487 -2.849 6.040 85 HD13 LEU 13 HD13 LEU 13 -1.451 -1.945 4.847 86 HD21 LEU 13 HD21 LEU 13 -1.966 -0.957 8.356 87 HD22 LEU 13 HD22 LEU 13 -2.859 -0.262 6.983 88 HD23 LEU 13 HD23 LEU 13 -1.643 0.715 7.839 89 H CYS 14 H CYS 14 2.600 -1.165 5.699 90 HA CYS 14 HA CYS 14 3.670 1.173 4.219 91 HB2 CYS 14 HB2 CYS 14 4.255 -1.780 3.872 92 HB3 CYS 14 HB3 CYS 14 5.117 -0.439 3.099 93 HG CYS 14 HG CYS 14 5.117 -1.121 6.510 94 H CYS 15 H CYS 15 3.561 1.335 1.946 95 HA CYS 15 HA CYS 15 1.214 -0.060 0.729 96 HB2 CYS 15 HB2 CYS 15 0.633 2.248 1.247 97 HB3 CYS 15 HB3 CYS 15 2.078 2.835 0.409 98 HG CYS 15 HG CYS 15 1.063 2.853 -2.048 99 H SER 16 H SER 16 1.585 -1.095 -1.102 100 HA SER 16 HA SER 16 4.239 -0.783 -2.393 101 HB2 SER 16 HB2 SER 16 3.610 -2.897 -3.577 102 HB3 SER 16 HB3 SER 16 3.676 -3.055 -1.808 103 HG SER 16 HG SER 16 1.333 -2.715 -3.397 104 H LYS 17 H LYS 17 4.532 -0.259 -4.492 105 HA LYS 17 HA LYS 17 2.819 1.605 -5.718 106 HB2 LYS 17 HB3 LYS 17 5.066 -0.094 -6.811 107 HB3 LYS 17 HB2 LYS 17 4.214 1.104 -7.800 108 HG2 LYS 17 HG2 LYS 17 4.855 2.876 -6.224 109 HG3 LYS 17 HG3 LYS 17 5.715 1.683 -5.229 110 HD2 LYS 17 HD2 LYS 17 7.205 1.178 -7.122 111 HD3 LYS 17 HD3 LYS 17 6.342 2.364 -8.123 112 HE2 LYS 17 HE2 LYS 17 6.987 4.151 -6.555 113 HE3 LYS 17 HE3 LYS 17 7.853 2.965 -5.557 114 HZ1 LYS 17 HZ1 LYS 17 9.332 4.138 -7.027 115 HZ2 LYS 17 HZ2 LYS 17 9.292 2.540 -7.432 116 HZ3 LYS 17 HZ3 LYS 17 8.487 3.645 -8.354 117 H PHE 18 H PHE 18 2.576 -1.856 -5.813 118 HA PHE 18 HA PHE 18 1.113 -2.015 -8.329 119 HB2 PHE 18 HB2 PHE 18 1.487 -3.948 -6.025 120 HB3 PHE 18 HB3 PHE 18 0.548 -4.337 -7.475 121 HD1 PHE 18 HD1 PHE 18 3.906 -3.758 -6.114 122 HD2 PHE 18 HD2 PHE 18 1.662 -4.694 -9.613 123 HE1 PHE 18 HE1 PHE 18 5.968 -4.463 -7.246 124 HE2 PHE 18 HE2 PHE 18 3.724 -5.397 -10.748 125 HZ PHE 18 HZ PHE 18 5.881 -5.282 -9.567 126 H GLY 19 H GLY 19 0.330 -0.800 -5.299 127 HA2 GLY 19 HA2 GLY 19 -1.757 0.210 -4.808 128 HA3 GLY 19 HA3 GLY 19 -2.554 -0.880 -5.958 129 H PHE 20 H PHE 20 -0.367 -1.535 -3.180 130 HA PHE 20 HA PHE 20 -2.633 -2.889 -1.801 131 HB2 PHE 20 HB3 PHE 20 0.027 -4.186 -2.475 132 HB3 PHE 20 HB2 PHE 20 -1.098 -4.818 -1.262 133 HD1 PHE 20 HD1 PHE 20 -0.503 -4.329 -4.848 134 HD2 PHE 20 HD2 PHE 20 -3.208 -5.829 -1.919 135 HE1 PHE 20 HE1 PHE 20 -1.721 -5.546 -6.599 136 HE2 PHE 20 HE2 PHE 20 -4.431 -7.046 -3.668 137 HZ PHE 20 HZ PHE 20 -3.688 -6.906 -6.013 138 H CYS 21 H CYS 21 -2.111 -3.517 0.450 139 HA CYS 21 HA CYS 21 -0.084 -1.691 1.671 140 HB2 CYS 21 HB2 CYS 21 -2.772 -2.366 2.887 141 HB3 CYS 21 HB3 CYS 21 -1.599 -1.165 3.449 142 HG CYS 21 HG CYS 21 -3.031 -0.786 0.328 143 H GLY 22 H GLY 22 0.849 -2.394 3.666 144 HA2 GLY 22 HA2 GLY 22 0.206 -4.837 4.958 145 HA3 GLY 22 HA3 GLY 22 1.454 -5.175 3.744 146 H SER 23 H SER 23 1.642 -5.434 6.620 147 HA SER 23 HA SER 23 3.553 -3.257 7.313 148 HB2 SER 23 HB3 SER 23 2.214 -5.343 9.074 149 HB3 SER 23 HB2 SER 23 3.324 -4.072 9.632 150 HG SER 23 HG SER 23 0.962 -3.639 9.757 151 H GLY 24 H GLY 24 5.659 -3.613 7.706 152 HA2 GLY 24 HA2 GLY 24 7.469 -5.075 8.406 153 HA3 GLY 24 HA3 GLY 24 6.615 -6.440 7.662 154 HA PRO 25 HA PRO 25 9.736 -4.670 4.612 155 HB2 PRO 25 HB2 PRO 25 11.409 -7.054 4.849 156 HB3 PRO 25 HB3 PRO 25 11.810 -5.368 5.282 157 HG2 PRO 25 HG2 PRO 25 11.516 -7.400 7.104 158 HG3 PRO 25 HG3 PRO 25 11.273 -5.670 7.472 159 HD2 PRO 25 HD3 PRO 25 9.224 -7.794 6.861 160 HD3 PRO 25 HD2 PRO 25 9.190 -6.511 8.113 161 H ALA 26 H ALA 26 7.523 -5.438 3.654 162 HA ALA 26 HA ALA 26 8.149 -7.468 1.583 163 HB1 ALA 26 HB1 ALA 26 6.881 -8.675 3.325 164 HB2 ALA 26 HB2 ALA 26 5.572 -7.476 3.197 165 HB3 ALA 26 HB3 ALA 26 5.952 -8.530 1.814 166 H TYR 27 H TYR 27 5.774 -5.099 2.788 167 HA TYR 27 HA TYR 27 5.165 -4.308 -0.017 168 HB2 TYR 27 HB2 TYR 27 3.772 -3.730 2.618 169 HB3 TYR 27 HB3 TYR 27 3.291 -3.014 1.070 170 HD1 TYR 27 HD1 TYR 27 3.438 -6.143 3.035 171 HD2 TYR 27 HD2 TYR 27 2.111 -4.339 -0.590 172 HE1 TYR 27 HE1 TYR 27 2.035 -8.105 2.574 173 HE2 TYR 27 HE2 TYR 27 0.706 -6.299 -1.053 174 HH TYR 27 HH TYR 27 -0.136 -8.529 1.185 175 H CYS 28 H CYS 28 7.201 -3.528 2.503 176 HA CYS 28 HA CYS 28 7.167 -0.608 2.009 177 HB2 CYS 28 HB2 CYS 28 7.826 -2.303 4.231 178 HB3 CYS 28 HB3 CYS 28 9.251 -1.342 3.801 179 HG CYS 28 HG CYS 28 8.255 1.095 4.453 180 H GLY 29 H GLY 29 9.335 -3.441 1.735 181 HA2 GLY 29 HA2 GLY 29 10.777 -3.579 -0.234 182 HA3 GLY 29 HA3 GLY 29 11.004 -1.822 -0.143 183 H GLY 30 H GLY 30 11.734 -1.240 2.320 184 HA2 GLY 30 HA2 GLY 30 13.755 -3.152 3.276 185 HA3 GLY 30 HA3 GLY 30 14.389 -1.646 2.585 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -8.867 -2.761 5.922 2 H2 ALA 1 H2 ALA 1 -7.643 -2.657 7.022 3 H3 ALA 1 H3 ALA 1 -8.638 -1.365 6.771 4 HA ALA 1 HA ALA 1 -7.851 -1.084 4.548 5 HB1 ALA 1 HB1 ALA 1 -6.706 0.096 6.386 6 HB2 ALA 1 HB2 ALA 1 -5.598 -1.283 6.574 7 HB3 ALA 1 HB3 ALA 1 -5.583 -0.329 5.072 8 H GLY 2 H GLY 2 -6.667 -1.764 2.799 9 HA2 GLY 2 HA3 GLY 2 -4.958 -4.133 2.996 10 HA3 GLY 2 HA2 GLY 2 -6.497 -4.407 2.157 11 H GLU 3 H GLU 3 -6.939 -2.259 0.667 12 HA GLU 3 HA GLU 3 -4.603 -2.237 -1.188 13 HB2 GLU 3 HB2 GLU 3 -7.572 -1.846 -1.614 14 HB3 GLU 3 HB3 GLU 3 -6.376 -1.410 -2.846 15 HG2 GLU 3 HG2 GLU 3 -5.580 -3.740 -2.887 16 HG3 GLU 3 HG3 GLU 3 -6.784 -4.173 -1.658 17 H CYS 4 H CYS 4 -3.970 -0.316 -2.235 18 HA CYS 4 HA CYS 4 -4.319 2.083 -0.543 19 HB2 CYS 4 HB2 CYS 4 -2.511 1.517 -2.910 20 HB3 CYS 4 HB3 CYS 4 -2.511 3.022 -1.975 21 HG CYS 4 HG CYS 4 -2.133 0.384 0.070 22 H VAL 5 H VAL 5 -4.972 4.097 -1.290 23 HA VAL 5 HA VAL 5 -6.521 4.042 -3.847 24 HB VAL 5 HB VAL 5 -7.197 5.852 -1.503 25 HG11 VAL 5 HG11 VAL 5 -8.089 6.455 -3.730 26 HG12 VAL 5 HG12 VAL 5 -8.870 4.859 -3.837 27 HG13 VAL 5 HG13 VAL 5 -9.379 6.017 -2.585 28 HG21 VAL 5 HG21 VAL 5 -9.147 4.147 -1.185 29 HG22 VAL 5 HG22 VAL 5 -7.560 3.811 -0.453 30 HG23 VAL 5 HG23 VAL 5 -8.033 2.998 -1.964 31 H ARG 6 H ARG 6 -5.507 5.144 -5.349 32 HA ARG 6 HA ARG 6 -4.288 6.736 -6.465 33 HB2 ARG 6 HB2 ARG 6 -5.535 8.468 -4.324 34 HB3 ARG 6 HB3 ARG 6 -4.530 9.139 -5.619 35 HG2 ARG 6 HG2 ARG 6 -6.083 8.209 -7.295 36 HG3 ARG 6 HG3 ARG 6 -7.091 7.549 -5.989 37 HD2 ARG 6 HD2 ARG 6 -7.478 9.824 -5.137 38 HD3 ARG 6 HD3 ARG 6 -6.463 10.488 -6.434 39 HE ARG 6 HE ARG 6 -8.513 8.915 -7.611 40 HH11 ARG 6 HH11 ARG 6 -8.163 11.958 -5.827 41 HH12 ARG 6 HH12 ARG 6 -9.574 12.677 -6.568 42 HH21 ARG 6 HH21 ARG 6 -10.328 9.879 -8.544 43 HH22 ARG 6 HH22 ARG 6 -10.793 11.505 -8.098 44 H GLY 7 H GLY 7 -2.973 5.224 -4.260 45 HA2 GLY 7 HA2 GLY 7 -0.675 5.119 -3.765 46 HA3 GLY 7 HA3 GLY 7 -0.498 6.824 -4.215 47 H ARG 8 H ARG 8 -3.080 5.994 -2.037 48 HA ARG 8 HA ARG 8 -1.423 6.779 0.317 49 HB2 ARG 8 HB2 ARG 8 -4.050 7.996 -0.567 50 HB3 ARG 8 HB3 ARG 8 -3.468 8.106 1.103 51 HG2 ARG 8 HG2 ARG 8 -1.438 9.258 0.310 52 HG3 ARG 8 HG3 ARG 8 -2.033 9.152 -1.360 53 HD2 ARG 8 HD3 ARG 8 -4.014 10.487 -0.728 54 HD3 ARG 8 HD2 ARG 8 -3.399 10.598 0.934 55 HE ARG 8 HE ARG 8 -1.384 11.555 -0.810 56 HH11 ARG 8 HH11 ARG 8 -4.621 12.492 0.295 57 HH12 ARG 8 HH12 ARG 8 -4.318 14.200 0.067 58 HH21 ARG 8 HH21 ARG 8 -1.035 13.766 -1.090 59 HH22 ARG 8 HH22 ARG 8 -2.298 14.916 -0.712 60 H CYS 9 H CYS 9 -1.597 5.389 1.913 61 HA CYS 9 HA CYS 9 -4.165 3.931 2.304 62 HB2 CYS 9 HB2 CYS 9 -2.566 2.501 1.021 63 HB3 CYS 9 HB3 CYS 9 -1.425 2.619 2.370 64 HG CYS 9 HG CYS 9 -3.809 1.553 4.060 65 HA PRO 10 HA PRO 10 -3.019 5.405 6.419 66 HB2 PRO 10 HB3 PRO 10 -5.464 5.159 7.597 67 HB3 PRO 10 HB2 PRO 10 -5.118 6.451 6.411 68 HG2 PRO 10 HG3 PRO 10 -6.560 3.845 6.051 69 HG3 PRO 10 HG2 PRO 10 -6.961 5.462 5.410 70 HD2 PRO 10 HD2 PRO 10 -5.675 3.475 3.965 71 HD3 PRO 10 HD3 PRO 10 -5.550 5.225 3.615 72 H GLY 11 H GLY 11 -4.188 4.393 8.763 73 HA2 GLY 11 HA3 GLY 11 -4.482 2.400 10.034 74 HA3 GLY 11 HA2 GLY 11 -3.807 1.457 8.693 75 H GLY 12 H GLY 12 -1.501 3.280 8.364 76 HA2 GLY 12 HA2 GLY 12 0.486 3.877 9.543 77 HA3 GLY 12 HA3 GLY 12 -0.032 2.876 10.913 78 H LEU 13 H LEU 13 0.167 2.067 7.444 79 HA LEU 13 HA LEU 13 2.382 0.180 8.043 80 HB2 LEU 13 HB3 LEU 13 1.263 -1.540 6.585 81 HB3 LEU 13 HB2 LEU 13 0.513 -1.255 8.157 82 HG LEU 13 HG LEU 13 -0.583 0.105 5.703 83 HD11 LEU 13 HD11 LEU 13 -2.038 -2.297 6.379 84 HD12 LEU 13 HD12 LEU 13 -1.345 -1.799 4.817 85 HD13 LEU 13 HD13 LEU 13 -0.348 -2.695 5.988 86 HD21 LEU 13 HD21 LEU 13 -1.742 -0.810 8.360 87 HD22 LEU 13 HD22 LEU 13 -2.714 -0.160 7.017 88 HD23 LEU 13 HD23 LEU 13 -1.490 0.863 7.807 89 H CYS 14 H CYS 14 2.768 -0.953 5.565 90 HA CYS 14 HA CYS 14 3.698 1.423 4.044 91 HB2 CYS 14 HB3 CYS 14 4.481 -1.505 3.881 92 HB3 CYS 14 HB2 CYS 14 5.152 -0.215 2.869 93 HG CYS 14 HG CYS 14 5.957 1.206 5.427 94 H CYS 15 H CYS 15 3.631 1.435 1.717 95 HA CYS 15 HA CYS 15 1.333 -0.098 0.583 96 HB2 CYS 15 HB2 CYS 15 0.587 2.167 1.074 97 HB3 CYS 15 HB3 CYS 15 1.970 2.848 0.205 98 HG CYS 15 HG CYS 15 1.001 2.578 -2.289 99 H SER 16 H SER 16 1.781 -1.176 -1.196 100 HA SER 16 HA SER 16 4.382 -0.763 -2.530 101 HB2 SER 16 HB2 SER 16 3.583 -3.050 -1.919 102 HB3 SER 16 HB3 SER 16 2.236 -2.852 -3.059 103 HG SER 16 HG SER 16 4.035 -3.956 -3.993 104 H LYS 17 H LYS 17 4.672 -0.268 -4.660 105 HA LYS 17 HA LYS 17 3.055 1.708 -5.827 106 HB2 LYS 17 HB3 LYS 17 5.147 -0.130 -7.000 107 HB3 LYS 17 HB2 LYS 17 4.355 1.138 -7.951 108 HG2 LYS 17 HG2 LYS 17 5.168 2.841 -6.381 109 HG3 LYS 17 HG3 LYS 17 5.961 1.579 -5.415 110 HD2 LYS 17 HD2 LYS 17 7.359 0.979 -7.354 111 HD3 LYS 17 HD3 LYS 17 6.568 2.245 -8.317 112 HE2 LYS 17 HE2 LYS 17 7.392 3.952 -6.746 113 HE3 LYS 17 HE3 LYS 17 8.181 2.688 -5.781 114 HZ1 LYS 17 HZ1 LYS 17 9.717 3.757 -7.272 115 HZ2 LYS 17 HZ2 LYS 17 9.540 2.173 -7.693 116 HZ3 LYS 17 HZ3 LYS 17 8.806 3.350 -8.584 117 H PHE 18 H PHE 18 2.646 -1.752 -6.020 118 HA PHE 18 HA PHE 18 1.066 -1.738 -8.468 119 HB2 PHE 18 HB2 PHE 18 1.516 -3.781 -6.282 120 HB3 PHE 18 HB3 PHE 18 0.437 -4.076 -7.656 121 HD1 PHE 18 HD1 PHE 18 3.923 -3.687 -6.580 122 HD2 PHE 18 HD2 PHE 18 1.343 -4.373 -9.901 123 HE1 PHE 18 HE1 PHE 18 5.846 -4.420 -7.920 124 HE2 PHE 18 HE2 PHE 18 3.266 -5.102 -11.244 125 HZ PHE 18 HZ PHE 18 5.521 -5.128 -10.257 126 H GLY 19 H GLY 19 0.451 -0.596 -5.384 127 HA2 GLY 19 HA2 GLY 19 -1.578 0.451 -4.757 128 HA3 GLY 19 HA3 GLY 19 -2.459 -0.567 -5.913 129 H PHE 20 H PHE 20 -0.204 -1.345 -3.222 130 HA PHE 20 HA PHE 20 -2.451 -2.767 -1.871 131 HB2 PHE 20 HB2 PHE 20 0.247 -3.938 -2.589 132 HB3 PHE 20 HB3 PHE 20 -0.800 -4.634 -1.340 133 HD1 PHE 20 HD1 PHE 20 -2.879 -5.750 -1.947 134 HD2 PHE 20 HD2 PHE 20 -0.348 -4.080 -4.940 135 HE1 PHE 20 HE1 PHE 20 -4.093 -7.007 -3.673 136 HE2 PHE 20 HE2 PHE 20 -1.561 -5.337 -6.668 137 HZ PHE 20 HZ PHE 20 -3.437 -6.803 -6.037 138 H CYS 21 H CYS 21 -2.026 -3.340 0.371 139 HA CYS 21 HA CYS 21 -0.072 -1.480 1.666 140 HB2 CYS 21 HB3 CYS 21 -2.716 -2.343 2.860 141 HB3 CYS 21 HB2 CYS 21 -1.623 -1.067 3.418 142 HG CYS 21 HG CYS 21 -3.149 -0.784 0.329 143 H GLY 22 H GLY 22 0.912 -2.184 3.619 144 HA2 GLY 22 HA2 GLY 22 0.393 -4.627 4.925 145 HA3 GLY 22 HA3 GLY 22 1.579 -4.968 3.651 146 H SER 23 H SER 23 1.832 -5.129 6.570 147 HA SER 23 HA SER 23 3.906 -3.034 7.040 148 HB2 SER 23 HB2 SER 23 1.977 -3.175 8.653 149 HB3 SER 23 HB3 SER 23 2.531 -4.805 9.092 150 HG SER 23 HG SER 23 3.353 -3.176 10.505 151 H GLY 24 H GLY 24 5.951 -3.581 7.735 152 HA2 GLY 24 HA3 GLY 24 7.615 -5.145 8.478 153 HA3 GLY 24 HA2 GLY 24 6.609 -6.475 7.873 154 HA PRO 25 HA PRO 25 9.906 -5.407 4.684 155 HB2 PRO 25 HB2 PRO 25 11.096 -8.068 5.078 156 HB3 PRO 25 HB3 PRO 25 11.841 -6.462 5.312 157 HG2 PRO 25 HG3 PRO 25 11.274 -8.175 7.354 158 HG3 PRO 25 HG2 PRO 25 11.316 -6.399 7.536 159 HD2 PRO 25 HD2 PRO 25 8.937 -8.230 7.200 160 HD3 PRO 25 HD3 PRO 25 9.158 -6.830 8.297 161 H ALA 26 H ALA 26 7.517 -5.864 3.860 162 HA ALA 26 HA ALA 26 7.769 -8.001 1.817 163 HB1 ALA 26 HB1 ALA 26 6.425 -8.993 3.637 164 HB2 ALA 26 HB2 ALA 26 5.289 -7.627 3.536 165 HB3 ALA 26 HB3 ALA 26 5.458 -8.747 2.163 166 H TYR 27 H TYR 27 5.901 -5.251 3.073 167 HA TYR 27 HA TYR 27 5.395 -4.374 0.260 168 HB2 TYR 27 HB3 TYR 27 3.807 -3.819 2.794 169 HB3 TYR 27 HB2 TYR 27 3.486 -3.083 1.215 170 HD1 TYR 27 HD1 TYR 27 3.423 -6.272 3.106 171 HD2 TYR 27 HD2 TYR 27 2.321 -4.295 -0.505 172 HE1 TYR 27 HE1 TYR 27 1.987 -8.171 2.506 173 HE2 TYR 27 HE2 TYR 27 0.884 -6.195 -1.105 174 HH TYR 27 HH TYR 27 1.080 -9.157 0.265 175 H CYS 28 H CYS 28 7.306 -3.868 2.918 176 HA CYS 28 HA CYS 28 7.398 -0.919 2.685 177 HB2 CYS 28 HB2 CYS 28 8.871 -2.809 4.543 178 HB3 CYS 28 HB3 CYS 28 8.929 -1.040 4.611 179 HG CYS 28 HG CYS 28 6.796 -3.053 6.127 180 H GLY 29 H GLY 29 9.513 -3.785 2.279 181 HA2 GLY 29 HA2 GLY 29 11.075 -2.297 0.282 182 HA3 GLY 29 HA3 GLY 29 11.963 -2.772 1.742 183 H GLY 30 H GLY 30 11.500 -3.590 -1.355 184 HA2 GLY 30 HA2 GLY 30 12.826 -5.896 -1.553 185 HA3 GLY 30 HA3 GLY 30 11.275 -6.511 -0.951 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -8.190 -0.767 4.995 2 H2 ALA 1 H2 ALA 1 -7.512 -0.343 6.438 3 H3 ALA 1 H3 ALA 1 -8.208 -1.828 6.258 4 HA ALA 1 HA ALA 1 -5.801 -0.863 4.875 5 HB1 ALA 1 HB1 ALA 1 -5.444 -1.371 7.262 6 HB2 ALA 1 HB2 ALA 1 -4.608 -2.534 6.206 7 HB3 ALA 1 HB3 ALA 1 -6.126 -2.996 7.012 8 H GLY 2 H GLY 2 -4.971 -2.110 3.273 9 HA2 GLY 2 HA2 GLY 2 -5.207 -4.689 2.585 10 HA3 GLY 2 HA3 GLY 2 -6.825 -4.110 2.142 11 H GLU 3 H GLU 3 -6.605 -1.830 0.933 12 HA GLU 3 HA GLU 3 -4.488 -2.127 -1.155 13 HB2 GLU 3 HB2 GLU 3 -7.459 -1.689 -1.527 14 HB3 GLU 3 HB3 GLU 3 -6.278 -1.276 -2.782 15 HG2 GLU 3 HG2 GLU 3 -5.522 -3.619 -2.830 16 HG3 GLU 3 HG3 GLU 3 -6.714 -4.028 -1.581 17 H CYS 4 H CYS 4 -3.633 -0.277 -1.991 18 HA CYS 4 HA CYS 4 -4.265 2.207 -0.482 19 HB2 CYS 4 HB2 CYS 4 -1.910 1.552 -2.279 20 HB3 CYS 4 HB3 CYS 4 -2.098 3.012 -1.294 21 HG CYS 4 HG CYS 4 -2.025 -0.121 0.186 22 H VAL 5 H VAL 5 -5.013 4.025 -1.404 23 HA VAL 5 HA VAL 5 -5.521 3.933 -4.349 24 HB VAL 5 HB VAL 5 -7.195 5.548 -2.396 25 HG11 VAL 5 HG11 VAL 5 -7.313 6.139 -4.794 26 HG12 VAL 5 HG12 VAL 5 -7.805 4.471 -5.170 27 HG13 VAL 5 HG13 VAL 5 -8.860 5.508 -4.179 28 HG21 VAL 5 HG21 VAL 5 -8.909 3.618 -2.786 29 HG22 VAL 5 HG22 VAL 5 -7.463 2.638 -3.124 30 HG23 VAL 5 HG23 VAL 5 -7.650 3.432 -1.542 31 H ARG 6 H ARG 6 -4.259 5.246 -5.424 32 HA ARG 6 HA ARG 6 -2.926 7.013 -6.032 33 HB2 ARG 6 HB2 ARG 6 -5.058 8.468 -4.460 34 HB3 ARG 6 HB3 ARG 6 -3.763 9.325 -5.313 35 HG2 ARG 6 HG2 ARG 6 -4.488 8.273 -7.432 36 HG3 ARG 6 HG3 ARG 6 -5.807 7.460 -6.563 37 HD2 ARG 6 HD2 ARG 6 -6.743 9.638 -5.928 38 HD3 ARG 6 HD3 ARG 6 -5.413 10.466 -6.763 39 HE ARG 6 HE ARG 6 -6.818 8.666 -8.530 40 HH11 ARG 6 HH11 ARG 6 -7.039 11.875 -7.037 41 HH12 ARG 6 HH12 ARG 6 -8.058 12.511 -8.309 42 HH21 ARG 6 HH21 ARG 6 -8.134 9.526 -10.149 43 HH22 ARG 6 HH22 ARG 6 -8.674 11.188 -10.060 44 H GLY 7 H GLY 7 -2.240 5.581 -3.513 45 HA2 GLY 7 HA2 GLY 7 -0.280 5.738 -2.235 46 HA3 GLY 7 HA3 GLY 7 -0.151 7.458 -2.644 47 H ARG 8 H ARG 8 -3.133 6.093 -1.370 48 HA ARG 8 HA ARG 8 -2.523 7.288 1.298 49 HB2 ARG 8 HB2 ARG 8 -5.014 7.653 -0.384 50 HB3 ARG 8 HB3 ARG 8 -4.982 7.964 1.359 51 HG2 ARG 8 HG3 ARG 8 -3.212 9.657 1.009 52 HG3 ARG 8 HG2 ARG 8 -3.278 9.347 -0.738 53 HD2 ARG 8 HD3 ARG 8 -4.600 11.278 -0.396 54 HD3 ARG 8 HD2 ARG 8 -5.751 9.945 -0.614 55 HE ARG 8 HE ARG 8 -5.287 10.183 2.153 56 HH11 ARG 8 HH11 ARG 8 -6.701 12.143 -0.441 57 HH12 ARG 8 HH12 ARG 8 -7.796 12.974 0.641 58 HH21 ARG 8 HH21 ARG 8 -6.713 11.277 3.514 59 HH22 ARG 8 HH22 ARG 8 -7.801 12.485 2.870 60 H CYS 9 H CYS 9 -2.516 5.744 2.739 61 HA CYS 9 HA CYS 9 -4.754 3.812 2.843 62 HB2 CYS 9 HB3 CYS 9 -3.001 2.698 1.487 63 HB3 CYS 9 HB2 CYS 9 -1.842 2.949 2.800 64 HG CYS 9 HG CYS 9 -4.666 1.230 3.665 65 HA PRO 10 HA PRO 10 -3.853 5.059 7.097 66 HB2 PRO 10 HB2 PRO 10 -6.267 4.446 8.195 67 HB3 PRO 10 HB3 PRO 10 -6.057 5.852 7.110 68 HG2 PRO 10 HG3 PRO 10 -7.172 3.132 6.515 69 HG3 PRO 10 HG2 PRO 10 -7.763 4.739 6.007 70 HD2 PRO 10 HD3 PRO 10 -6.222 3.051 4.435 71 HD3 PRO 10 HD2 PRO 10 -6.317 4.824 4.217 72 H GLY 11 H GLY 11 -4.889 3.714 9.317 73 HA2 GLY 11 HA2 GLY 11 -4.932 1.635 10.442 74 HA3 GLY 11 HA3 GLY 11 -4.268 0.842 9.002 75 H GLY 12 H GLY 12 -2.112 2.870 8.734 76 HA2 GLY 12 HA3 GLY 12 -0.114 3.513 9.870 77 HA3 GLY 12 HA2 GLY 12 -0.505 2.379 11.176 78 H LEU 13 H LEU 13 -0.317 1.892 7.637 79 HA LEU 13 HA LEU 13 2.006 0.090 8.066 80 HB2 LEU 13 HB2 LEU 13 0.990 -1.523 6.409 81 HB3 LEU 13 HB3 LEU 13 0.266 -1.496 8.018 82 HG LEU 13 HG LEU 13 -0.973 0.049 5.737 83 HD11 LEU 13 HD11 LEU 13 -2.323 -2.438 6.131 84 HD12 LEU 13 HD12 LEU 13 -0.602 -2.783 5.833 85 HD13 LEU 13 HD13 LEU 13 -1.534 -1.822 4.659 86 HD21 LEU 13 HD21 LEU 13 -2.029 -1.195 8.300 87 HD22 LEU 13 HD22 LEU 13 -3.055 -0.464 7.043 88 HD23 LEU 13 HD23 LEU 13 -1.877 0.538 7.924 89 H CYS 14 H CYS 14 2.470 -0.782 5.512 90 HA CYS 14 HA CYS 14 3.146 1.790 4.158 91 HB2 CYS 14 HB2 CYS 14 4.970 0.241 4.964 92 HB3 CYS 14 HB3 CYS 14 4.421 -0.932 3.757 93 HG CYS 14 HG CYS 14 4.772 1.567 1.851 94 H CYS 15 H CYS 15 3.463 1.573 1.720 95 HA CYS 15 HA CYS 15 1.214 -0.020 0.557 96 HB2 CYS 15 HB2 CYS 15 2.094 2.816 0.031 97 HB3 CYS 15 HB3 CYS 15 1.178 1.898 -1.175 98 HG CYS 15 HG CYS 15 0.043 3.530 1.510 99 H SER 16 H SER 16 1.669 -1.321 -1.073 100 HA SER 16 HA SER 16 4.422 -1.344 -2.154 101 HB2 SER 16 HB3 SER 16 3.278 -3.443 -1.340 102 HB3 SER 16 HB2 SER 16 2.147 -3.280 -2.699 103 HG SER 16 HG SER 16 3.929 -4.662 -3.189 104 H LYS 17 H LYS 17 4.960 -1.084 -4.266 105 HA LYS 17 HA LYS 17 3.580 0.811 -5.821 106 HB2 LYS 17 HB2 LYS 17 5.708 -1.213 -6.517 107 HB3 LYS 17 HB3 LYS 17 5.095 -0.048 -7.703 108 HG2 LYS 17 HG2 LYS 17 5.796 1.805 -6.239 109 HG3 LYS 17 HG3 LYS 17 6.408 0.634 -5.051 110 HD2 LYS 17 HD3 LYS 17 7.996 -0.231 -6.731 111 HD3 LYS 17 HD2 LYS 17 7.382 0.946 -7.911 112 HE2 LYS 17 HE2 LYS 17 8.095 2.791 -6.453 113 HE3 LYS 17 HE3 LYS 17 8.707 1.623 -5.264 114 HZ1 LYS 17 HZ1 LYS 17 10.455 2.461 -6.667 115 HZ2 LYS 17 HZ2 LYS 17 9.685 1.934 -8.027 116 HZ3 LYS 17 HZ3 LYS 17 10.255 0.844 -6.928 117 H PHE 18 H PHE 18 3.000 -2.615 -5.648 118 HA PHE 18 HA PHE 18 1.721 -2.839 -8.262 119 HB2 PHE 18 HB2 PHE 18 1.794 -4.632 -5.821 120 HB3 PHE 18 HB3 PHE 18 0.907 -5.047 -7.297 121 HD1 PHE 18 HD1 PHE 18 4.219 -4.651 -5.772 122 HD2 PHE 18 HD2 PHE 18 2.107 -5.619 -9.345 123 HE1 PHE 18 HE1 PHE 18 6.275 -5.590 -6.733 124 HE2 PHE 18 HE2 PHE 18 4.163 -6.557 -10.308 125 HZ PHE 18 HZ PHE 18 6.252 -6.543 -9.003 126 H GLY 19 H GLY 19 0.824 -1.314 -5.426 127 HA2 GLY 19 HA2 GLY 19 -1.216 -0.137 -5.168 128 HA3 GLY 19 HA3 GLY 19 -2.011 -1.273 -6.275 129 H PHE 20 H PHE 20 -0.060 -1.808 -3.311 130 HA PHE 20 HA PHE 20 -2.487 -2.935 -1.998 131 HB2 PHE 20 HB2 PHE 20 0.173 -4.339 -2.366 132 HB3 PHE 20 HB3 PHE 20 -1.006 -4.824 -1.135 133 HD1 PHE 20 HD1 PHE 20 -0.267 -4.703 -4.730 134 HD2 PHE 20 HD2 PHE 20 -3.097 -5.893 -1.775 135 HE1 PHE 20 HE1 PHE 20 -1.429 -6.078 -6.399 136 HE2 PHE 20 HE2 PHE 20 -4.261 -7.269 -3.444 137 HZ PHE 20 HZ PHE 20 -3.429 -7.366 -5.759 138 H CYS 21 H CYS 21 -2.039 -3.467 0.363 139 HA CYS 21 HA CYS 21 -0.161 -1.463 1.540 140 HB2 CYS 21 HB3 CYS 21 -2.858 -1.141 1.544 141 HB3 CYS 21 HB2 CYS 21 -2.653 -2.094 3.023 142 HG CYS 21 HG CYS 21 -0.380 0.010 3.573 143 H GLY 22 H GLY 22 0.956 -2.068 3.354 144 HA2 GLY 22 HA3 GLY 22 0.327 -4.291 5.014 145 HA3 GLY 22 HA2 GLY 22 1.450 -4.831 3.751 146 H SER 23 H SER 23 1.831 -4.665 6.652 147 HA SER 23 HA SER 23 3.897 -2.533 6.869 148 HB2 SER 23 HB2 SER 23 2.111 -2.749 8.634 149 HB3 SER 23 HB3 SER 23 2.794 -4.334 9.055 150 HG SER 23 HG SER 23 3.630 -2.629 10.368 151 H GLY 24 H GLY 24 6.016 -2.945 7.328 152 HA2 GLY 24 HA2 GLY 24 7.846 -4.352 7.944 153 HA3 GLY 24 HA3 GLY 24 6.867 -5.781 7.564 154 HA PRO 25 HA PRO 25 9.665 -4.758 3.918 155 HB2 PRO 25 HB2 PRO 25 11.254 -7.166 4.399 156 HB3 PRO 25 HB3 PRO 25 11.775 -5.459 4.463 157 HG2 PRO 25 HG2 PRO 25 11.623 -7.106 6.651 158 HG3 PRO 25 HG3 PRO 25 11.493 -5.326 6.716 159 HD2 PRO 25 HD3 PRO 25 9.306 -7.399 6.745 160 HD3 PRO 25 HD2 PRO 25 9.472 -5.911 7.731 161 H ALA 26 H ALA 26 7.318 -5.552 3.378 162 HA ALA 26 HA ALA 26 7.611 -7.930 1.629 163 HB1 ALA 26 HB1 ALA 26 6.531 -8.765 3.688 164 HB2 ALA 26 HB2 ALA 26 5.424 -8.819 2.295 165 HB3 ALA 26 HB3 ALA 26 5.259 -7.532 3.514 166 H TYR 27 H TYR 27 5.480 -5.279 2.691 167 HA TYR 27 HA TYR 27 4.643 -4.869 -0.142 168 HB2 TYR 27 HB2 TYR 27 3.391 -4.052 2.496 169 HB3 TYR 27 HB3 TYR 27 2.842 -3.428 0.932 170 HD1 TYR 27 HD1 TYR 27 1.596 -4.858 -0.604 171 HD2 TYR 27 HD2 TYR 27 3.027 -6.406 3.099 172 HE1 TYR 27 HE1 TYR 27 0.151 -6.825 -0.869 173 HE2 TYR 27 HE2 TYR 27 1.581 -8.374 2.837 174 HH TYR 27 HH TYR 27 0.208 -9.284 0.012 175 H CYS 28 H CYS 28 6.800 -3.788 2.167 176 HA CYS 28 HA CYS 28 6.786 -1.000 1.113 177 HB2 CYS 28 HB2 CYS 28 6.741 -1.799 3.702 178 HB3 CYS 28 HB3 CYS 28 8.490 -1.687 3.442 179 HG CYS 28 HG CYS 28 8.599 0.915 3.796 180 H GLY 29 H GLY 29 8.887 -3.803 1.836 181 HA2 GLY 29 HA2 GLY 29 11.079 -2.491 0.315 182 HA3 GLY 29 HA3 GLY 29 11.249 -3.892 1.391 183 H GLY 30 H GLY 30 12.004 -3.330 -1.494 184 HA2 GLY 30 HA3 GLY 30 11.074 -5.937 -2.514 185 HA3 GLY 30 HA2 GLY 30 10.624 -4.513 -3.473 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 -8.597 -1.586 5.210 2 H2 ALA 1 H2 ALA 1 -7.921 -0.990 6.591 3 H3 ALA 1 H3 ALA 1 -8.190 -2.610 6.438 4 HA ALA 1 HA ALA 1 -6.302 -1.009 4.855 5 HB1 ALA 1 HB1 ALA 1 -5.576 -1.397 7.179 6 HB2 ALA 1 HB2 ALA 1 -4.561 -2.278 6.012 7 HB3 ALA 1 HB3 ALA 1 -5.799 -3.148 6.950 8 H GLY 2 H GLY 2 -5.151 -2.074 3.255 9 HA2 GLY 2 HA3 GLY 2 -4.930 -4.691 2.580 10 HA3 GLY 2 HA2 GLY 2 -6.596 -4.343 2.080 11 H GLU 3 H GLU 3 -6.820 -2.270 0.741 12 HA GLU 3 HA GLU 3 -4.651 -2.290 -1.316 13 HB2 GLU 3 HB2 GLU 3 -7.634 -1.822 -1.526 14 HB3 GLU 3 HB3 GLU 3 -6.513 -1.371 -2.820 15 HG2 GLU 3 HG3 GLU 3 -7.270 -3.463 -3.494 16 HG3 GLU 3 HG2 GLU 3 -5.730 -3.841 -2.699 17 H CYS 4 H CYS 4 -3.977 -0.368 -2.266 18 HA CYS 4 HA CYS 4 -4.253 1.994 -0.505 19 HB2 CYS 4 HB2 CYS 4 -2.440 1.372 -2.851 20 HB3 CYS 4 HB3 CYS 4 -2.441 2.920 -1.991 21 HG CYS 4 HG CYS 4 -2.098 0.365 0.169 22 H VAL 5 H VAL 5 -4.806 4.058 -1.226 23 HA VAL 5 HA VAL 5 -6.379 4.102 -3.769 24 HB VAL 5 HB VAL 5 -6.976 5.900 -1.394 25 HG11 VAL 5 HG11 VAL 5 -7.860 6.564 -3.606 26 HG12 VAL 5 HG12 VAL 5 -9.157 6.157 -2.457 27 HG13 VAL 5 HG13 VAL 5 -8.698 4.998 -3.727 28 HG21 VAL 5 HG21 VAL 5 -8.982 4.261 -1.081 29 HG22 VAL 5 HG22 VAL 5 -7.402 3.858 -0.369 30 HG23 VAL 5 HG23 VAL 5 -7.918 3.084 -1.886 31 H ARG 6 H ARG 6 -5.349 5.204 -5.260 32 HA ARG 6 HA ARG 6 -4.077 6.769 -6.354 33 HB2 ARG 6 HB3 ARG 6 -5.234 8.512 -4.166 34 HB3 ARG 6 HB2 ARG 6 -4.216 9.156 -5.466 35 HG2 ARG 6 HG2 ARG 6 -5.816 8.293 -7.136 36 HG3 ARG 6 HG3 ARG 6 -6.854 7.703 -5.821 37 HD2 ARG 6 HD2 ARG 6 -7.111 9.997 -4.985 38 HD3 ARG 6 HD3 ARG 6 -6.051 10.597 -6.276 39 HE ARG 6 HE ARG 6 -8.286 9.110 -7.340 40 HH11 ARG 6 HH11 ARG 6 -7.393 12.274 -6.014 41 HH12 ARG 6 HH12 ARG 6 -8.674 13.109 -6.863 42 HH21 ARG 6 HH21 ARG 6 -9.924 10.224 -8.418 43 HH22 ARG 6 HH22 ARG 6 -10.100 11.953 -8.217 44 H GLY 7 H GLY 7 -2.795 5.162 -4.200 45 HA2 GLY 7 HA2 GLY 7 -0.497 4.961 -3.737 46 HA3 GLY 7 HA3 GLY 7 -0.261 6.667 -4.156 47 H ARG 8 H ARG 8 -2.863 6.002 -1.977 48 HA ARG 8 HA ARG 8 -1.132 6.598 0.380 49 HB2 ARG 8 HB2 ARG 8 -3.676 8.024 -0.445 50 HB3 ARG 8 HB3 ARG 8 -3.046 8.075 1.209 51 HG2 ARG 8 HG2 ARG 8 -1.270 8.851 -1.093 52 HG3 ARG 8 HG3 ARG 8 -2.485 9.996 -0.491 53 HD2 ARG 8 HD2 ARG 8 -1.523 9.830 1.769 54 HD3 ARG 8 HD3 ARG 8 -0.315 8.673 1.176 55 HE ARG 8 HE ARG 8 -0.220 11.101 -0.355 56 HH11 ARG 8 HH11 ARG 8 0.703 9.789 2.806 57 HH12 ARG 8 HH12 ARG 8 2.019 10.923 3.009 58 HH21 ARG 8 HH21 ARG 8 1.486 12.545 -0.055 59 HH22 ARG 8 HH22 ARG 8 2.459 12.475 1.397 60 H CYS 9 H CYS 9 -1.432 5.250 1.997 61 HA CYS 9 HA CYS 9 -4.086 3.928 2.314 62 HB2 CYS 9 HB2 CYS 9 -2.469 2.436 1.100 63 HB3 CYS 9 HB3 CYS 9 -1.423 2.485 2.528 64 HG CYS 9 HG CYS 9 -3.975 1.535 4.032 65 HA PRO 10 HA PRO 10 -3.052 5.371 6.467 66 HB2 PRO 10 HB2 PRO 10 -5.538 5.177 7.570 67 HB3 PRO 10 HB3 PRO 10 -5.129 6.447 6.379 68 HG2 PRO 10 HG3 PRO 10 -6.598 3.862 5.985 69 HG3 PRO 10 HG2 PRO 10 -6.960 5.485 5.334 70 HD2 PRO 10 HD2 PRO 10 -5.658 3.488 3.923 71 HD3 PRO 10 HD3 PRO 10 -5.490 5.238 3.588 72 H GLY 11 H GLY 11 -4.311 4.379 8.774 73 HA2 GLY 11 HA3 GLY 11 -4.673 2.394 10.040 74 HA3 GLY 11 HA2 GLY 11 -3.979 1.437 8.719 75 H GLY 12 H GLY 12 -1.631 3.223 8.458 76 HA2 GLY 12 HA2 GLY 12 0.323 3.790 9.715 77 HA3 GLY 12 HA3 GLY 12 -0.245 2.767 11.048 78 H LEU 13 H LEU 13 0.020 1.999 7.576 79 HA LEU 13 HA LEU 13 2.219 0.100 8.197 80 HB2 LEU 13 HB2 LEU 13 1.129 -1.585 6.683 81 HB3 LEU 13 HB3 LEU 13 0.349 -1.347 8.248 82 HG LEU 13 HG LEU 13 -0.686 0.058 5.783 83 HD11 LEU 13 HD11 LEU 13 -2.160 -2.352 6.402 84 HD12 LEU 13 HD12 LEU 13 -0.462 -2.742 6.039 85 HD13 LEU 13 HD13 LEU 13 -1.438 -1.834 4.860 86 HD21 LEU 13 HD21 LEU 13 -1.932 -0.886 8.389 87 HD22 LEU 13 HD22 LEU 13 -1.640 0.794 7.878 88 HD23 LEU 13 HD23 LEU 13 -2.850 -0.197 7.029 89 H CYS 14 H CYS 14 2.632 -1.006 5.698 90 HA CYS 14 HA CYS 14 3.595 1.391 4.228 91 HB2 CYS 14 HB2 CYS 14 4.393 -1.529 4.062 92 HB3 CYS 14 HB3 CYS 14 5.086 -0.237 3.067 93 HG CYS 14 HG CYS 14 5.271 -0.158 6.533 94 H CYS 15 H CYS 15 3.605 1.381 1.885 95 HA CYS 15 HA CYS 15 1.304 -0.123 0.713 96 HB2 CYS 15 HB3 CYS 15 0.632 2.195 1.160 97 HB3 CYS 15 HB2 CYS 15 2.039 2.787 0.263 98 HG CYS 15 HG CYS 15 1.056 2.516 -2.205 99 H SER 16 H SER 16 1.739 -1.210 -1.062 100 HA SER 16 HA SER 16 4.394 -0.915 -2.325 101 HB2 SER 16 HB2 SER 16 3.433 -3.162 -1.690 102 HB3 SER 16 HB3 SER 16 2.200 -2.925 -2.947 103 HG SER 16 HG SER 16 4.024 -4.120 -3.704 104 H LYS 17 H LYS 17 4.756 -0.415 -4.440 105 HA LYS 17 HA LYS 17 3.194 1.576 -5.662 106 HB2 LYS 17 HB2 LYS 17 5.320 -0.274 -6.739 107 HB3 LYS 17 HB3 LYS 17 4.568 0.974 -7.747 108 HG2 LYS 17 HG2 LYS 17 5.318 2.700 -6.148 109 HG3 LYS 17 HG3 LYS 17 6.087 1.440 -5.160 110 HD2 LYS 17 HD3 LYS 17 7.541 0.842 -7.062 111 HD3 LYS 17 HD2 LYS 17 6.769 2.105 -8.044 112 HE2 LYS 17 HE2 LYS 17 7.544 3.819 -6.464 113 HE3 LYS 17 HE3 LYS 17 8.313 2.564 -5.470 114 HZ1 LYS 17 HZ1 LYS 17 9.884 3.632 -6.924 115 HZ2 LYS 17 HZ2 LYS 17 9.725 2.044 -7.341 116 HZ3 LYS 17 HZ3 LYS 17 9.011 3.213 -8.259 117 H PHE 18 H PHE 18 2.749 -1.874 -5.844 118 HA PHE 18 HA PHE 18 1.255 -1.858 -8.348 119 HB2 PHE 18 HB2 PHE 18 1.606 -3.901 -6.141 120 HB3 PHE 18 HB3 PHE 18 0.588 -4.189 -7.562 121 HD1 PHE 18 HD1 PHE 18 4.026 -3.808 -6.333 122 HD2 PHE 18 HD2 PHE 18 1.591 -4.512 -9.758 123 HE1 PHE 18 HE1 PHE 18 6.004 -4.555 -7.585 124 HE2 PHE 18 HE2 PHE 18 3.568 -5.256 -11.012 125 HZ PHE 18 HZ PHE 18 5.778 -5.279 -9.928 126 H GLY 19 H GLY 19 0.555 -0.701 -5.289 127 HA2 GLY 19 HA2 GLY 19 -1.484 0.364 -4.731 128 HA3 GLY 19 HA3 GLY 19 -2.338 -0.657 -5.904 129 H PHE 20 H PHE 20 -0.168 -1.423 -3.142 130 HA PHE 20 HA PHE 20 -2.459 -2.819 -1.840 131 HB2 PHE 20 HB2 PHE 20 0.244 -4.022 -2.484 132 HB3 PHE 20 HB3 PHE 20 -0.836 -4.696 -1.251 133 HD1 PHE 20 HD1 PHE 20 -2.914 -5.798 -1.894 134 HD2 PHE 20 HD2 PHE 20 -0.296 -4.186 -4.845 135 HE1 PHE 20 HE1 PHE 20 -4.097 -7.064 -3.634 136 HE2 PHE 20 HE2 PHE 20 -1.479 -5.451 -6.586 137 HZ PHE 20 HZ PHE 20 -3.380 -6.895 -5.985 138 H CYS 21 H CYS 21 -2.092 -3.377 0.419 139 HA CYS 21 HA CYS 21 -0.158 -1.515 1.739 140 HB2 CYS 21 HB2 CYS 21 -2.823 -2.387 2.874 141 HB3 CYS 21 HB3 CYS 21 -1.749 -1.114 3.475 142 HG CYS 21 HG CYS 21 -3.214 -0.833 0.350 143 H GLY 22 H GLY 22 0.851 -2.226 3.659 144 HA2 GLY 22 HA2 GLY 22 0.303 -4.691 4.951 145 HA3 GLY 22 HA3 GLY 22 1.535 -4.989 3.709 146 H SER 23 H SER 23 1.692 -5.176 6.638 147 HA SER 23 HA SER 23 3.642 -3.006 7.243 148 HB2 SER 23 HB2 SER 23 3.407 -3.807 9.608 149 HB3 SER 23 HB3 SER 23 1.904 -3.176 8.900 150 HG SER 23 HG SER 23 1.590 -5.170 10.022 151 H GLY 24 H GLY 24 5.744 -3.379 7.539 152 HA2 GLY 24 HA2 GLY 24 7.552 -4.812 8.305 153 HA3 GLY 24 HA3 GLY 24 6.647 -6.219 7.716 154 HA PRO 25 HA PRO 25 9.688 -4.805 4.415 155 HB2 PRO 25 HB2 PRO 25 11.282 -7.229 4.779 156 HB3 PRO 25 HB3 PRO 25 11.762 -5.532 5.055 157 HG2 PRO 25 HG2 PRO 25 11.472 -7.392 7.049 158 HG3 PRO 25 HG3 PRO 25 11.302 -5.630 7.281 159 HD2 PRO 25 HD3 PRO 25 9.160 -7.721 6.927 160 HD3 PRO 25 HD2 PRO 25 9.219 -6.339 8.068 161 H ALA 26 H ALA 26 7.401 -5.572 3.617 162 HA ALA 26 HA ALA 26 7.881 -7.763 1.673 163 HB1 ALA 26 HB1 ALA 26 6.653 -8.801 3.548 164 HB2 ALA 26 HB2 ALA 26 5.376 -7.571 3.384 165 HB3 ALA 26 HB3 ALA 26 5.665 -8.734 2.068 166 H TYR 27 H TYR 27 5.644 -5.229 2.798 167 HA TYR 27 HA TYR 27 4.995 -4.588 -0.043 168 HB2 TYR 27 HB3 TYR 27 3.572 -3.920 2.559 169 HB3 TYR 27 HB2 TYR 27 3.111 -3.268 0.978 170 HD1 TYR 27 HD1 TYR 27 3.276 -6.352 3.023 171 HD2 TYR 27 HD2 TYR 27 1.913 -4.614 -0.622 172 HE1 TYR 27 HE1 TYR 27 1.879 -8.327 2.605 173 HE2 TYR 27 HE2 TYR 27 0.512 -6.588 -1.039 174 HH TYR 27 HH TYR 27 0.594 -9.092 -0.301 175 H CYS 28 H CYS 28 7.017 -3.707 2.450 176 HA CYS 28 HA CYS 28 6.958 -0.805 1.861 177 HB2 CYS 28 HB2 CYS 28 7.382 -2.265 4.185 178 HB3 CYS 28 HB3 CYS 28 9.010 -1.740 3.724 179 HG CYS 28 HG CYS 28 8.575 0.967 3.957 180 H GLY 29 H GLY 29 9.140 -3.633 1.685 181 HA2 GLY 29 HA2 GLY 29 10.651 -3.891 -0.174 182 HA3 GLY 29 HA3 GLY 29 10.747 -2.126 -0.320 183 H GLY 30 H GLY 30 12.602 -4.635 0.283 184 HA2 GLY 30 HA2 GLY 30 13.983 -3.482 2.653 185 HA3 GLY 30 HA3 GLY 30 14.226 -5.113 1.998 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -5.859 -4.102 6.985 2 H2 ALA 1 H2 ALA 1 -5.136 -5.580 6.871 3 H3 ALA 1 H3 ALA 1 -4.341 -4.327 7.592 4 HA ALA 1 HA ALA 1 -4.214 -3.123 5.548 5 HB1 ALA 1 HB1 ALA 1 -2.394 -4.678 6.141 6 HB2 ALA 1 HB2 ALA 1 -3.242 -5.987 5.284 7 HB3 ALA 1 HB3 ALA 1 -2.634 -4.579 4.380 8 H GLY 2 H GLY 2 -4.702 -2.882 3.383 9 HA2 GLY 2 HA2 GLY 2 -6.442 -4.913 2.121 10 HA3 GLY 2 HA3 GLY 2 -7.128 -3.296 2.370 11 H GLU 3 H GLU 3 -6.871 -1.841 0.823 12 HA GLU 3 HA GLU 3 -4.628 -2.197 -1.115 13 HB2 GLU 3 HB2 GLU 3 -7.560 -1.739 -1.702 14 HB3 GLU 3 HB3 GLU 3 -6.291 -1.345 -2.874 15 HG2 GLU 3 HG2 GLU 3 -5.549 -3.694 -2.848 16 HG3 GLU 3 HG3 GLU 3 -6.829 -4.084 -1.682 17 H CYS 4 H CYS 4 -3.910 -0.301 -2.173 18 HA CYS 4 HA CYS 4 -4.231 2.118 -0.513 19 HB2 CYS 4 HB2 CYS 4 -2.423 1.481 -2.861 20 HB3 CYS 4 HB3 CYS 4 -2.407 3.012 -1.972 21 HG CYS 4 HG CYS 4 -2.051 0.343 0.077 22 H VAL 5 H VAL 5 -4.837 4.142 -1.268 23 HA VAL 5 HA VAL 5 -6.435 4.093 -3.794 24 HB VAL 5 HB VAL 5 -6.895 6.043 -1.507 25 HG11 VAL 5 HG11 VAL 5 -7.824 6.627 -3.723 26 HG12 VAL 5 HG12 VAL 5 -8.719 5.089 -3.741 27 HG13 VAL 5 HG13 VAL 5 -9.098 6.325 -2.518 28 HG21 VAL 5 HG21 VAL 5 -8.950 4.492 -1.060 29 HG22 VAL 5 HG22 VAL 5 -7.365 4.075 -0.365 30 HG23 VAL 5 HG23 VAL 5 -7.943 3.240 -1.826 31 H ARG 6 H ARG 6 -5.271 4.960 -5.355 32 HA ARG 6 HA ARG 6 -3.946 6.382 -6.575 33 HB2 ARG 6 HB3 ARG 6 -5.213 8.371 -4.678 34 HB3 ARG 6 HB2 ARG 6 -4.133 8.860 -5.995 35 HG2 ARG 6 HG2 ARG 6 -5.650 7.757 -7.618 36 HG3 ARG 6 HG3 ARG 6 -6.759 7.370 -6.285 37 HD2 ARG 6 HD2 ARG 6 -7.014 9.766 -5.798 38 HD3 ARG 6 HD3 ARG 6 -5.893 10.161 -7.117 39 HE ARG 6 HE ARG 6 -8.125 8.553 -8.023 40 HH11 ARG 6 HH11 ARG 6 -7.163 11.871 -7.225 41 HH12 ARG 6 HH12 ARG 6 -8.382 12.584 -8.259 42 HH21 ARG 6 HH21 ARG 6 -9.683 9.513 -9.344 43 HH22 ARG 6 HH22 ARG 6 -9.800 11.255 -9.451 44 H GLY 7 H GLY 7 -2.748 5.058 -4.199 45 HA2 GLY 7 HA3 GLY 7 -0.436 4.965 -3.676 46 HA3 GLY 7 HA2 GLY 7 -0.264 6.658 -4.171 47 H ARG 8 H ARG 8 -2.905 5.879 -2.050 48 HA ARG 8 HA ARG 8 -1.329 6.756 0.325 49 HB2 ARG 8 HB3 ARG 8 -3.944 7.929 -0.665 50 HB3 ARG 8 HB2 ARG 8 -3.379 8.107 1.005 51 HG2 ARG 8 HG2 ARG 8 -1.346 9.235 0.208 52 HG3 ARG 8 HG3 ARG 8 -1.903 9.062 -1.469 53 HD2 ARG 8 HD3 ARG 8 -2.479 11.270 -0.838 54 HD3 ARG 8 HD2 ARG 8 -3.991 10.345 -0.758 55 HE ARG 8 HE ARG 8 -2.854 10.258 1.812 56 HH11 ARG 8 HH11 ARG 8 -4.149 12.723 -0.383 57 HH12 ARG 8 HH12 ARG 8 -4.655 13.770 0.924 58 HH21 ARG 8 HH21 ARG 8 -3.523 11.638 3.468 59 HH22 ARG 8 HH22 ARG 8 -4.302 13.158 3.091 60 H CYS 9 H CYS 9 -1.524 5.378 1.929 61 HA CYS 9 HA CYS 9 -4.111 3.957 2.325 62 HB2 CYS 9 HB3 CYS 9 -2.480 2.503 1.059 63 HB3 CYS 9 HB2 CYS 9 -1.407 2.591 2.465 64 HG CYS 9 HG CYS 9 -3.876 1.574 4.043 65 HA PRO 10 HA PRO 10 -2.942 5.455 6.429 66 HB2 PRO 10 HB2 PRO 10 -5.401 5.317 7.595 67 HB3 PRO 10 HB3 PRO 10 -4.999 6.569 6.384 68 HG2 PRO 10 HG3 PRO 10 -6.537 4.017 6.055 69 HG3 PRO 10 HG2 PRO 10 -6.870 5.640 5.388 70 HD2 PRO 10 HD2 PRO 10 -5.645 3.580 3.988 71 HD3 PRO 10 HD3 PRO 10 -5.464 5.318 3.606 72 H GLY 11 H GLY 11 -4.167 4.504 8.775 73 HA2 GLY 11 HA3 GLY 11 -4.541 2.525 10.054 74 HA3 GLY 11 HA2 GLY 11 -3.864 1.556 8.732 75 H GLY 12 H GLY 12 -1.507 3.305 8.425 76 HA2 GLY 12 HA2 GLY 12 0.470 3.870 9.642 77 HA3 GLY 12 HA3 GLY 12 -0.097 2.889 11.007 78 H LEU 13 H LEU 13 0.135 2.049 7.549 79 HA LEU 13 HA LEU 13 2.293 0.112 8.199 80 HB2 LEU 13 HB2 LEU 13 1.163 -1.565 6.703 81 HB3 LEU 13 HB3 LEU 13 0.391 -1.291 8.266 82 HG LEU 13 HG LEU 13 -0.615 0.122 5.794 83 HD11 LEU 13 HD11 LEU 13 -2.141 -2.253 6.406 84 HD12 LEU 13 HD12 LEU 13 -1.394 -1.756 4.869 85 HD13 LEU 13 HD13 LEU 13 -0.450 -2.684 6.059 86 HD21 LEU 13 HD21 LEU 13 -1.866 -0.784 8.410 87 HD22 LEU 13 HD22 LEU 13 -1.566 0.886 7.873 88 HD23 LEU 13 HD23 LEU 13 -2.788 -0.110 7.046 89 H CYS 14 H CYS 14 2.638 -1.043 5.693 90 HA CYS 14 HA CYS 14 3.702 1.300 4.206 91 HB2 CYS 14 HB2 CYS 14 4.336 -1.648 3.891 92 HB3 CYS 14 HB3 CYS 14 5.177 -0.301 3.105 93 HG CYS 14 HG CYS 14 5.139 -0.788 6.549 94 H CYS 15 H CYS 15 3.600 1.406 1.914 95 HA CYS 15 HA CYS 15 1.275 -0.053 0.731 96 HB2 CYS 15 HB2 CYS 15 0.598 2.222 1.243 97 HB3 CYS 15 HB3 CYS 15 2.020 2.874 0.414 98 HG CYS 15 HG CYS 15 1.050 2.787 -2.073 99 H SER 16 H SER 16 1.681 -1.101 -1.073 100 HA SER 16 HA SER 16 4.303 -0.746 -2.394 101 HB2 SER 16 HB2 SER 16 2.117 -2.815 -2.819 102 HB3 SER 16 HB3 SER 16 3.718 -2.824 -3.591 103 HG SER 16 HG SER 16 4.623 -2.981 -1.472 104 H LYS 17 H LYS 17 4.599 -0.162 -4.484 105 HA LYS 17 HA LYS 17 2.905 1.760 -5.648 106 HB2 LYS 17 HB2 LYS 17 5.133 0.070 -6.777 107 HB3 LYS 17 HB3 LYS 17 4.293 1.284 -7.757 108 HG2 LYS 17 HG3 LYS 17 4.941 3.024 -6.116 109 HG3 LYS 17 HG2 LYS 17 5.815 1.792 -5.181 110 HD2 LYS 17 HD2 LYS 17 7.279 1.353 -7.098 111 HD3 LYS 17 HD3 LYS 17 6.397 2.555 -8.063 112 HE2 LYS 17 HE2 LYS 17 7.053 4.312 -6.460 113 HE3 LYS 17 HE3 LYS 17 7.947 3.108 -5.509 114 HZ1 LYS 17 HZ1 LYS 17 9.389 4.328 -6.979 115 HZ2 LYS 17 HZ2 LYS 17 8.521 3.862 -8.301 116 HZ3 LYS 17 HZ3 LYS 17 9.352 2.740 -7.422 117 H PHE 18 H PHE 18 2.640 -1.695 -5.849 118 HA PHE 18 HA PHE 18 1.153 -1.761 -8.357 119 HB2 PHE 18 HB2 PHE 18 1.582 -3.779 -6.139 120 HB3 PHE 18 HB3 PHE 18 0.606 -4.119 -7.578 121 HD1 PHE 18 HD1 PHE 18 4.003 -3.534 -6.298 122 HD2 PHE 18 HD2 PHE 18 1.659 -4.422 -9.744 123 HE1 PHE 18 HE1 PHE 18 6.038 -4.176 -7.515 124 HE2 PHE 18 HE2 PHE 18 3.693 -5.064 -10.963 125 HZ PHE 18 HZ PHE 18 5.886 -4.944 -9.850 126 H GLY 19 H GLY 19 0.398 -0.642 -5.293 127 HA2 GLY 19 HA3 GLY 19 -1.698 0.340 -4.756 128 HA3 GLY 19 HA2 GLY 19 -2.492 -0.743 -5.915 129 H PHE 20 H PHE 20 -0.287 -1.390 -3.149 130 HA PHE 20 HA PHE 20 -2.520 -2.838 -1.812 131 HB2 PHE 20 HB3 PHE 20 0.191 -4.020 -2.487 132 HB3 PHE 20 HB2 PHE 20 -0.898 -4.705 -1.268 133 HD1 PHE 20 HD1 PHE 20 -0.352 -4.172 -4.857 134 HD2 PHE 20 HD2 PHE 20 -2.968 -5.800 -1.915 135 HE1 PHE 20 HE1 PHE 20 -1.533 -5.428 -6.606 136 HE2 PHE 20 HE2 PHE 20 -4.151 -7.058 -3.662 137 HZ PHE 20 HZ PHE 20 -3.437 -6.874 -6.011 138 H CYS 21 H CYS 21 -2.089 -3.398 0.437 139 HA CYS 21 HA CYS 21 -0.110 -1.556 1.716 140 HB2 CYS 21 HB2 CYS 21 -2.789 -2.319 2.896 141 HB3 CYS 21 HB3 CYS 21 -1.667 -1.071 3.460 142 HG CYS 21 HG CYS 21 -3.123 -0.771 0.337 143 H GLY 22 H GLY 22 0.836 -2.263 3.689 144 HA2 GLY 22 HA2 GLY 22 0.227 -4.693 4.999 145 HA3 GLY 22 HA3 GLY 22 1.441 -5.053 3.757 146 H SER 23 H SER 23 1.699 -5.292 6.627 147 HA SER 23 HA SER 23 3.685 -3.149 7.225 148 HB2 SER 23 HB3 SER 23 3.466 -3.947 9.592 149 HB3 SER 23 HB2 SER 23 1.967 -3.286 8.904 150 HG SER 23 HG SER 23 1.628 -5.271 10.030 151 H GLY 24 H GLY 24 5.771 -3.592 7.722 152 HA2 GLY 24 HA2 GLY 24 7.522 -5.104 8.419 153 HA3 GLY 24 HA3 GLY 24 6.601 -6.456 7.734 154 HA PRO 25 HA PRO 25 9.767 -4.960 4.593 155 HB2 PRO 25 HB2 PRO 25 11.309 -7.424 4.884 156 HB3 PRO 25 HB3 PRO 25 11.806 -5.752 5.268 157 HG2 PRO 25 HG2 PRO 25 11.413 -7.720 7.145 158 HG3 PRO 25 HG3 PRO 25 11.280 -5.969 7.470 159 HD2 PRO 25 HD3 PRO 25 9.099 -7.981 6.941 160 HD3 PRO 25 HD2 PRO 25 9.156 -6.661 8.152 161 H ALA 26 H ALA 26 7.501 -5.633 3.681 162 HA ALA 26 HA ALA 26 7.992 -7.756 1.666 163 HB1 ALA 26 HB1 ALA 26 6.675 -8.838 3.453 164 HB2 ALA 26 HB2 ALA 26 5.436 -7.569 3.303 165 HB3 ALA 26 HB3 ALA 26 5.739 -8.683 1.948 166 H TYR 27 H TYR 27 5.764 -5.224 2.822 167 HA TYR 27 HA TYR 27 5.213 -4.458 -0.005 168 HB2 TYR 27 HB2 TYR 27 3.785 -3.788 2.590 169 HB3 TYR 27 HB3 TYR 27 3.356 -3.102 1.013 170 HD1 TYR 27 HD1 TYR 27 2.182 -4.445 -0.642 171 HD2 TYR 27 HD2 TYR 27 3.360 -6.169 3.074 172 HE1 TYR 27 HE1 TYR 27 0.729 -6.377 -1.077 173 HE2 TYR 27 HE2 TYR 27 1.910 -8.102 2.638 174 HH TYR 27 HH TYR 27 0.950 -9.238 0.492 175 H CYS 28 H CYS 28 7.190 -3.714 2.589 176 HA CYS 28 HA CYS 28 7.292 -0.809 2.015 177 HB2 CYS 28 HB2 CYS 28 7.661 -2.401 4.339 178 HB3 CYS 28 HB3 CYS 28 9.224 -1.654 3.966 179 HG CYS 28 HG CYS 28 8.467 0.949 4.335 180 H GLY 29 H GLY 29 9.370 -3.724 2.004 181 HA2 GLY 29 HA2 GLY 29 10.875 -3.910 0.029 182 HA3 GLY 29 HA3 GLY 29 11.279 -2.199 0.274 183 H GLY 30 H GLY 30 12.342 -5.298 0.694 184 HA2 GLY 30 HA3 GLY 30 14.750 -4.850 1.843 185 HA3 GLY 30 HA2 GLY 30 13.696 -4.885 3.270
Contact the webmaster for help, if required. Monday, April 29, 2024 1:12:01 AM GMT (wattos1)