NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10550 | 1pvz | 5865 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 -4.599 -5.618 9.624 2 HA THR 1 HA THR 1 -5.762 -8.050 8.477 3 HB THR 1 HB THR 1 -7.627 -6.709 8.283 4 HG1 THR 1 HG1 THR 1 -6.620 -5.955 5.812 5 1HG2 THR 1 1HG2 THR 1 -7.725 -4.421 7.418 6 2HG2 THR 1 2HG2 THR 1 -6.771 -4.498 8.902 7 3HG2 THR 1 3HG2 THR 1 -5.959 -4.340 7.330 8 HA PRO 2 HA PRO 2 -1.875 -7.090 6.219 9 2HB PRO 2 2HB PRO 2 -1.142 -9.158 7.057 10 2HG PRO 2 2HG PRO 2 -2.585 -11.088 7.082 11 2HD PRO 2 2HD PRO 2 -3.672 -9.469 8.428 12 H PHE 3 H PHE 3 -4.394 -6.322 5.220 13 HA PHE 3 HA PHE 3 -4.283 -6.781 2.347 14 2HB PHE 3 2HB PHE 3 -6.552 -7.534 2.145 15 HD1 PHE 3 HD1 PHE 3 -6.855 -9.225 5.242 16 HD2 PHE 3 HD2 PHE 3 -4.639 -9.314 1.547 17 HE1 PHE 3 HE1 PHE 3 -6.433 -11.650 5.551 18 HE2 PHE 3 HE2 PHE 3 -4.187 -11.733 1.878 19 HZ PHE 3 HZ PHE 3 -5.094 -12.906 3.873 20 H ALA 4 H ALA 4 -4.827 -4.791 1.476 21 HA ALA 4 HA ALA 4 -6.777 -3.024 2.528 22 1HB ALA 4 1HB ALA 4 -3.897 -2.087 2.984 23 2HB ALA 4 2HB ALA 4 -5.385 -1.171 3.308 24 3HB ALA 4 3HB ALA 4 -5.004 -2.590 4.270 25 H ILE 5 H ILE 5 -4.964 -0.725 1.397 26 HA ILE 5 HA ILE 5 -5.843 -0.893 -1.326 27 HB ILE 5 HB ILE 5 -4.112 0.944 0.337 28 2HG1 ILE 5 2HG1 ILE 5 -6.619 0.921 0.513 29 1HG2 ILE 5 1HG2 ILE 5 -3.019 0.999 -1.784 30 2HG2 ILE 5 2HG2 ILE 5 -4.565 1.190 -2.658 31 3HG2 ILE 5 3HG2 ILE 5 -3.931 2.484 -1.610 32 1HD1 ILE 5 1HD1 ILE 5 -5.309 3.002 0.992 33 2HD1 ILE 5 2HD1 ILE 5 -5.622 3.539 -0.676 34 3HD1 ILE 5 3HD1 ILE 5 -6.970 3.281 0.435 35 H LYS 6 H LYS 6 -4.918 -2.004 -2.963 36 HA LYS 6 HA LYS 6 -2.739 -3.706 -2.578 37 2HB LYS 6 2HB LYS 6 -3.438 -2.940 -5.390 38 2HG LYS 6 2HG LYS 6 -3.755 -5.300 -5.706 39 2HD LYS 6 2HD LYS 6 -1.217 -4.310 -5.055 40 2HE LYS 6 2HE LYS 6 -1.591 -7.095 -3.828 41 1HZ LYS 6 1HZ LYS 6 0.661 -5.198 -3.549 42 2HZ LYS 6 2HZ LYS 6 0.571 -6.708 -2.968 43 3HZ LYS 6 3HZ LYS 6 0.663 -6.473 -4.602 44 H CYS 7 H CYS 7 -0.562 -3.300 -2.472 45 HA CYS 7 HA CYS 7 0.526 -0.871 -3.853 46 2HB CYS 7 2HB CYS 7 1.108 -2.137 -1.157 47 H ALA 8 H ALA 8 2.624 -0.970 -4.671 48 HA ALA 8 HA ALA 8 3.943 -3.634 -4.900 49 1HB ALA 8 1HB ALA 8 3.678 -2.459 -7.032 50 2HB ALA 8 2HB ALA 8 4.484 -1.023 -6.378 51 3HB ALA 8 3HB ALA 8 5.385 -2.541 -6.556 52 H THR 9 H THR 9 4.908 -0.165 -4.397 53 HA THR 9 HA THR 9 6.633 -0.958 -2.100 54 HB THR 9 HB THR 9 8.289 0.680 -3.116 55 HG1 THR 9 HG1 THR 9 7.950 1.224 -5.276 56 1HG2 THR 9 1HG2 THR 9 9.196 -0.849 -4.771 57 2HG2 THR 9 2HG2 THR 9 8.548 -1.788 -3.414 58 3HG2 THR 9 3HG2 THR 9 7.641 -1.683 -4.939 59 H ASP 10 H ASP 10 7.410 1.037 -0.970 60 HA ASP 10 HA ASP 10 5.731 2.884 0.172 61 2HB ASP 10 2HB ASP 10 7.965 2.733 0.890 62 H ALA 11 H ALA 11 7.727 3.673 -2.728 63 HA ALA 11 HA ALA 11 6.541 5.972 -3.554 64 1HB ALA 11 1HB ALA 11 7.396 3.681 -5.375 65 2HB ALA 11 2HB ALA 11 7.230 5.387 -5.847 66 3HB ALA 11 3HB ALA 11 8.465 4.910 -4.663 67 H ASP 12 H ASP 12 5.212 2.690 -4.205 68 HA ASP 12 HA ASP 12 3.069 3.661 -5.868 69 2HB ASP 12 2HB ASP 12 2.906 1.048 -4.380 70 H CYS 13 H CYS 13 3.361 2.720 -2.416 71 HA CYS 13 HA CYS 13 0.795 3.252 -1.443 72 2HB CYS 13 2HB CYS 13 2.939 4.582 0.119 73 H SER 14 H SER 14 3.453 5.565 -1.880 74 HA SER 14 HA SER 14 2.150 7.978 -1.402 75 2HB SER 14 2HB SER 14 4.162 8.108 -3.567 76 HG SER 14 HG SER 14 5.120 9.399 -1.866 77 H ARG 15 H ARG 15 2.475 6.247 -4.509 78 HA ARG 15 HA ARG 15 1.267 8.008 -6.265 79 2HB ARG 15 2HB ARG 15 0.760 5.027 -6.298 80 2HG ARG 15 2HG ARG 15 1.565 6.485 -8.748 81 2HD ARG 15 2HD ARG 15 -0.052 4.864 -9.741 82 HE ARG 15 HE ARG 15 1.069 3.021 -7.725 83 1HH1 ARG 15 1HH1 ARG 15 1.985 5.052 -10.436 84 2HH1 ARG 15 2HH1 ARG 15 3.199 3.979 -11.072 85 1HH2 ARG 15 1HH2 ARG 15 2.618 1.488 -8.577 86 2HH2 ARG 15 2HH2 ARG 15 3.608 1.928 -9.932 87 H LYS 16 H LYS 16 -0.408 5.761 -3.992 88 HA LYS 16 HA LYS 16 -3.059 6.621 -5.027 89 2HB LYS 16 2HB LYS 16 -4.050 5.281 -3.334 90 2HG LYS 16 2HG LYS 16 -3.136 4.086 -5.404 91 2HD LYS 16 2HD LYS 16 -0.962 3.676 -3.382 92 2HE LYS 16 2HE LYS 16 -2.063 1.376 -3.646 93 1HZ LYS 16 1HZ LYS 16 -2.179 1.500 -6.120 94 2HZ LYS 16 2HZ LYS 16 -0.515 1.422 -6.114 95 3HZ LYS 16 3HZ LYS 16 -1.422 0.176 -5.469 96 H CYS 17 H CYS 17 -1.090 6.959 -2.058 97 HA CYS 17 HA CYS 17 -2.757 9.268 -1.165 98 2HB CYS 17 2HB CYS 17 -3.670 7.389 -0.080 99 HA PRO 18 HA PRO 18 1.537 10.301 -1.550 100 2HB PRO 18 2HB PRO 18 0.826 12.190 -2.641 101 2HG PRO 18 2HG PRO 18 -1.100 13.425 -1.886 102 2HD PRO 18 2HD PRO 18 -1.734 11.148 -2.279 103 H GLY 19 H GLY 19 3.335 11.375 -0.454 104 1HA GLY 19 1HA GLY 19 4.412 12.251 1.463 105 2HA GLY 19 2HA GLY 19 3.106 11.680 2.506 106 H ASN 20 H ASN 20 4.181 9.429 0.066 107 HA ASN 20 HA ASN 20 5.175 7.413 0.194 108 2HB ASN 20 2HB ASN 20 7.490 7.418 0.902 109 1HD2 ASN 20 1HD2 ASN 20 8.463 10.441 0.882 110 2HD2 ASN 20 2HD2 ASN 20 8.351 10.825 -0.827 111 HA PRO 21 HA PRO 21 3.877 6.347 4.575 112 2HB PRO 21 2HB PRO 21 1.626 6.639 4.502 113 2HG PRO 21 2HG PRO 21 0.548 7.093 2.462 114 2HD PRO 21 2HD PRO 21 2.422 8.417 2.195 115 HA PRO 22 HA PRO 22 5.705 2.466 3.485 116 2HB PRO 22 2HB PRO 22 6.354 2.466 5.728 117 2HG PRO 22 2HG PRO 22 4.768 2.880 7.495 118 2HD PRO 22 2HD PRO 22 4.741 4.782 6.091 119 H CYS 23 H CYS 23 5.313 0.282 2.846 120 HA CYS 23 HA CYS 23 2.468 -0.613 2.861 121 2HB CYS 23 2HB CYS 23 3.011 -2.017 0.929 122 H ARG 24 H ARG 24 2.089 -2.821 3.344 123 HA ARG 24 HA ARG 24 4.339 -4.463 4.283 124 2HB ARG 24 2HB ARG 24 1.906 -4.366 6.047 125 2HG ARG 24 2HG ARG 24 4.147 -5.802 6.290 126 2HD ARG 24 2HD ARG 24 5.759 -4.842 7.768 127 HE ARG 24 HE ARG 24 5.203 -2.994 5.458 128 1HH1 ARG 24 1HH1 ARG 24 7.671 -4.128 7.741 129 2HH1 ARG 24 2HH1 ARG 24 8.989 -3.552 6.770 130 1HH2 ARG 24 1HH2 ARG 24 6.801 -2.271 4.252 131 2HH2 ARG 24 2HH2 ARG 24 8.495 -2.419 4.693 132 H ASN 25 H ASN 25 3.942 -6.641 3.913 133 HA ASN 25 HA ASN 25 3.148 -8.341 2.661 134 2HB ASN 25 2HB ASN 25 0.336 -7.536 3.494 135 1HD2 ASN 25 1HD2 ASN 25 0.262 -9.103 1.384 136 2HD2 ASN 25 2HD2 ASN 25 0.147 -10.812 1.812 137 H GLY 26 H GLY 26 3.527 -5.783 1.312 138 1HA GLY 26 1HA GLY 26 3.160 -4.772 -0.701 139 2HA GLY 26 2HA GLY 26 2.394 -6.273 -1.240 140 H PHE 27 H PHE 27 1.127 -4.422 1.549 141 HA PHE 27 HA PHE 27 -0.957 -3.168 -0.169 142 2HB PHE 27 2HB PHE 27 -2.477 -3.455 1.784 143 HD1 PHE 27 HD1 PHE 27 -3.472 -4.098 -0.455 144 HD2 PHE 27 HD2 PHE 27 -1.193 -6.838 1.941 145 HE1 PHE 27 HE1 PHE 27 -4.571 -6.004 -1.597 146 HE2 PHE 27 HE2 PHE 27 -2.180 -8.739 0.723 147 HZ PHE 27 HZ PHE 27 -3.881 -8.337 -1.056 148 H CYS 28 H CYS 28 -1.382 -1.050 0.324 149 HA CYS 28 HA CYS 28 0.741 0.365 1.697 150 2HB CYS 28 2HB CYS 28 -1.840 1.355 0.437 151 H ALA 29 H ALA 29 0.769 1.247 3.728 152 HA ALA 29 HA ALA 29 -1.103 0.267 5.625 153 1HB ALA 29 1HB ALA 29 0.137 1.676 7.216 154 2HB ALA 29 2HB ALA 29 1.239 0.788 6.147 155 3HB ALA 29 3HB ALA 29 0.930 2.519 5.868 156 H CYS 30 H CYS 30 -1.156 3.209 3.698 157 HA CYS 30 HA CYS 30 -2.726 4.797 5.490 158 2HB CYS 30 2HB CYS 30 -1.370 5.517 3.409 159 H THR 31 H THR 31 -4.985 5.171 5.528 160 HA THR 31 HA THR 31 -6.633 2.885 4.964 161 HB THR 31 HB THR 31 -7.110 4.380 6.825 162 HG1 THR 31 HG1 THR 31 -9.329 4.497 6.415 163 1HG2 THR 31 1HG2 THR 31 -7.893 6.473 4.735 164 2HG2 THR 31 2HG2 THR 31 -8.135 6.593 6.486 165 3HG2 THR 31 3HG2 THR 31 -6.497 6.587 5.824 Start of MODEL 2 1 1H THR 1 1H THR 1 -15.091 -2.742 -5.348 2 HA THR 1 HA THR 1 -12.940 -1.848 -4.191 3 HB THR 1 HB THR 1 -15.462 -2.419 -2.599 4 HG1 THR 1 HG1 THR 1 -16.336 -0.678 -3.769 5 1HG2 THR 1 1HG2 THR 1 -15.092 -0.114 -1.780 6 2HG2 THR 1 2HG2 THR 1 -13.661 -1.105 -1.451 7 3HG2 THR 1 3HG2 THR 1 -13.654 0.043 -2.809 8 HA PRO 2 HA PRO 2 -11.950 -5.934 -2.074 9 2HB PRO 2 2HB PRO 2 -10.746 -6.778 -3.862 10 2HG PRO 2 2HG PRO 2 -9.672 -5.323 -5.442 11 2HD PRO 2 2HD PRO 2 -11.967 -4.689 -5.368 12 H PHE 3 H PHE 3 -11.192 -5.813 0.009 13 HA PHE 3 HA PHE 3 -10.315 -3.383 1.139 14 2HB PHE 3 2HB PHE 3 -9.830 -4.731 3.134 15 HD1 PHE 3 HD1 PHE 3 -12.006 -3.219 3.093 16 HD2 PHE 3 HD2 PHE 3 -11.938 -7.419 2.094 17 HE1 PHE 3 HE1 PHE 3 -14.437 -3.369 3.535 18 HE2 PHE 3 HE2 PHE 3 -14.371 -7.554 2.531 19 HZ PHE 3 HZ PHE 3 -15.626 -5.535 3.256 20 H ALA 4 H ALA 4 -8.358 -2.491 1.389 21 HA ALA 4 HA ALA 4 -6.169 -2.146 1.600 22 1HB ALA 4 1HB ALA 4 -4.619 -3.887 2.131 23 2HB ALA 4 2HB ALA 4 -6.137 -4.157 2.992 24 3HB ALA 4 3HB ALA 4 -5.734 -5.146 1.579 25 H ILE 5 H ILE 5 -5.514 -1.045 -0.104 26 HA ILE 5 HA ILE 5 -5.480 -1.989 -2.815 27 HB ILE 5 HB ILE 5 -4.199 0.405 -1.436 28 2HG1 ILE 5 2HG1 ILE 5 -6.856 0.066 -1.505 29 1HG2 ILE 5 1HG2 ILE 5 -4.184 1.425 -3.745 30 2HG2 ILE 5 2HG2 ILE 5 -3.075 0.072 -3.560 31 3HG2 ILE 5 3HG2 ILE 5 -4.622 -0.163 -4.401 32 1HD1 ILE 5 1HD1 ILE 5 -5.488 2.649 -2.333 33 2HD1 ILE 5 2HD1 ILE 5 -7.152 2.484 -1.731 34 3HD1 ILE 5 3HD1 ILE 5 -5.781 2.083 -0.679 35 H LYS 6 H LYS 6 -3.832 -3.130 -3.856 36 HA LYS 6 HA LYS 6 -1.512 -3.907 -2.336 37 2HB LYS 6 2HB LYS 6 -0.827 -4.944 -4.640 38 2HG LYS 6 2HG LYS 6 -2.411 -6.827 -4.409 39 2HD LYS 6 2HD LYS 6 -1.436 -5.893 -1.697 40 2HE LYS 6 2HE LYS 6 -1.189 -8.725 -2.619 41 1HZ LYS 6 1HZ LYS 6 -0.226 -7.895 -0.425 42 2HZ LYS 6 2HZ LYS 6 -1.730 -7.501 0.015 43 3HZ LYS 6 3HZ LYS 6 -1.360 -9.066 -0.249 44 H CYS 7 H CYS 7 0.688 -3.728 -3.011 45 HA CYS 7 HA CYS 7 1.586 -1.127 -4.085 46 2HB CYS 7 2HB CYS 7 1.482 -1.988 -1.154 47 H ALA 8 H ALA 8 3.641 -1.658 -4.984 48 HA ALA 8 HA ALA 8 5.032 -4.083 -3.952 49 1HB ALA 8 1HB ALA 8 5.583 -2.424 -6.443 50 2HB ALA 8 2HB ALA 8 6.379 -3.925 -5.946 51 3HB ALA 8 3HB ALA 8 4.661 -3.940 -6.393 52 H THR 9 H THR 9 5.512 -0.588 -4.734 53 HA THR 9 HA THR 9 7.706 -0.514 -2.676 54 HB THR 9 HB THR 9 8.808 1.146 -4.155 55 HG1 THR 9 HG1 THR 9 8.045 1.289 -6.293 56 1HG2 THR 9 1HG2 THR 9 8.275 -1.493 -5.585 57 2HG2 THR 9 2HG2 THR 9 9.680 -0.429 -5.784 58 3HG2 THR 9 3HG2 THR 9 9.425 -1.276 -4.247 59 H ASP 10 H ASP 10 8.145 1.494 -1.783 60 HA ASP 10 HA ASP 10 6.534 3.337 -0.613 61 2HB ASP 10 2HB ASP 10 8.863 3.600 -0.383 62 H ALA 11 H ALA 11 7.826 3.883 -3.905 63 HA ALA 11 HA ALA 11 6.398 5.962 -4.779 64 1HB ALA 11 1HB ALA 11 6.654 5.121 -7.048 65 2HB ALA 11 2HB ALA 11 8.092 4.738 -6.083 66 3HB ALA 11 3HB ALA 11 6.900 3.470 -6.442 67 H ASP 12 H ASP 12 5.021 2.610 -4.705 68 HA ASP 12 HA ASP 12 2.672 3.252 -6.273 69 2HB ASP 12 2HB ASP 12 1.829 1.115 -5.538 70 H CYS 13 H CYS 13 3.263 2.941 -2.764 71 HA CYS 13 HA CYS 13 0.683 3.853 -1.898 72 2HB CYS 13 2HB CYS 13 2.213 5.023 -0.058 73 H SER 14 H SER 14 3.698 5.632 -2.524 74 HA SER 14 HA SER 14 2.928 8.178 -2.011 75 2HB SER 14 2HB SER 14 4.581 8.040 -4.474 76 HG SER 14 HG SER 14 5.925 8.655 -2.301 77 H ARG 15 H ARG 15 2.434 6.652 -5.273 78 HA ARG 15 HA ARG 15 1.186 8.936 -6.452 79 2HB ARG 15 2HB ARG 15 -0.138 7.314 -7.834 80 2HG ARG 15 2HG ARG 15 2.184 8.120 -8.549 81 2HD ARG 15 2HD ARG 15 2.688 5.409 -7.410 82 HE ARG 15 HE ARG 15 3.695 6.195 -10.072 83 1HH1 ARG 15 1HH1 ARG 15 4.186 4.152 -7.290 84 2HH1 ARG 15 2HH1 ARG 15 4.420 2.665 -8.115 85 1HH2 ARG 15 1HH2 ARG 15 4.455 4.329 -11.327 86 2HH2 ARG 15 2HH2 ARG 15 4.927 2.887 -10.473 87 H LYS 16 H LYS 16 -0.225 6.358 -4.392 88 HA LYS 16 HA LYS 16 -2.928 7.257 -5.056 89 2HB LYS 16 2HB LYS 16 -2.439 5.202 -2.924 90 2HG LYS 16 2HG LYS 16 -4.109 3.939 -4.154 91 2HD LYS 16 2HD LYS 16 -5.058 6.836 -4.167 92 2HE LYS 16 2HE LYS 16 -6.575 4.237 -3.711 93 1HZ LYS 16 1HZ LYS 16 -7.514 7.027 -3.844 94 2HZ LYS 16 2HZ LYS 16 -8.470 5.695 -3.713 95 3HZ LYS 16 3HZ LYS 16 -7.460 6.106 -2.481 96 H CYS 17 H CYS 17 -0.658 7.484 -2.353 97 HA CYS 17 HA CYS 17 -2.593 9.007 -0.698 98 2HB CYS 17 2HB CYS 17 -1.142 6.446 0.040 99 HA PRO 18 HA PRO 18 1.334 11.167 -0.735 100 2HB PRO 18 2HB PRO 18 0.069 13.091 -1.026 101 2HG PRO 18 2HG PRO 18 -1.992 13.425 0.171 102 2HD PRO 18 2HD PRO 18 -2.193 11.380 -1.037 103 H GLY 19 H GLY 19 2.866 12.194 0.902 104 1HA GLY 19 1HA GLY 19 3.986 12.146 2.937 105 2HA GLY 19 2HA GLY 19 2.696 11.178 3.664 106 H ASN 20 H ASN 20 3.197 9.546 0.886 107 HA ASN 20 HA ASN 20 4.178 7.609 0.327 108 2HB ASN 20 2HB ASN 20 6.738 8.738 1.511 109 1HD2 ASN 20 1HD2 ASN 20 6.947 6.182 1.556 110 2HD2 ASN 20 2HD2 ASN 20 7.547 5.458 0.069 111 HA PRO 21 HA PRO 21 4.043 5.686 4.572 112 2HB PRO 21 2HB PRO 21 1.782 5.733 4.923 113 2HG PRO 21 2HG PRO 21 0.317 6.305 3.167 114 2HD PRO 21 2HD PRO 21 1.968 7.916 2.861 115 HA PRO 22 HA PRO 22 5.875 2.246 2.435 116 2HB PRO 22 2HB PRO 22 6.936 1.991 4.515 117 2HG PRO 22 2HG PRO 22 5.661 1.847 6.566 118 2HD PRO 22 2HD PRO 22 5.201 3.949 5.597 119 H CYS 23 H CYS 23 5.603 0.014 1.663 120 HA CYS 23 HA CYS 23 2.836 -0.970 1.585 121 2HB CYS 23 2HB CYS 23 3.632 -2.729 0.214 122 H ARG 24 H ARG 24 2.172 -2.897 2.712 123 HA ARG 24 HA ARG 24 4.103 -4.355 4.406 124 2HB ARG 24 2HB ARG 24 1.432 -3.660 5.608 125 2HG ARG 24 2HG ARG 24 3.523 -5.039 6.607 126 2HD ARG 24 2HD ARG 24 4.889 -3.738 8.063 127 HE ARG 24 HE ARG 24 4.852 -2.670 5.283 128 1HH1 ARG 24 1HH1 ARG 24 6.615 -2.552 8.345 129 2HH1 ARG 24 2HH1 ARG 24 8.108 -2.057 7.608 130 1HH2 ARG 24 1HH2 ARG 24 6.663 -2.059 4.334 131 2HH2 ARG 24 2HH2 ARG 24 8.163 -1.763 5.200 132 H ASN 25 H ASN 25 3.766 -6.530 4.072 133 HA ASN 25 HA ASN 25 3.043 -8.312 2.878 134 2HB ASN 25 2HB ASN 25 0.304 -7.461 3.889 135 1HD2 ASN 25 1HD2 ASN 25 -1.084 -9.443 4.349 136 2HD2 ASN 25 2HD2 ASN 25 -0.988 -10.762 3.197 137 H GLY 26 H GLY 26 3.582 -6.085 1.440 138 1HA GLY 26 1HA GLY 26 3.339 -4.998 -0.504 139 2HA GLY 26 2HA GLY 26 2.542 -6.451 -1.113 140 H PHE 27 H PHE 27 1.072 -4.601 1.571 141 HA PHE 27 HA PHE 27 -0.981 -3.476 -0.278 142 2HB PHE 27 2HB PHE 27 -2.390 -3.356 1.736 143 HD1 PHE 27 HD1 PHE 27 -3.247 -4.615 -0.417 144 HD2 PHE 27 HD2 PHE 27 -1.552 -6.440 3.085 145 HE1 PHE 27 HE1 PHE 27 -4.765 -6.544 -0.689 146 HE2 PHE 27 HE2 PHE 27 -3.014 -8.416 2.766 147 HZ PHE 27 HZ PHE 27 -4.654 -8.454 0.897 148 H CYS 28 H CYS 28 -1.333 -1.221 -0.140 149 HA CYS 28 HA CYS 28 0.865 0.269 0.982 150 2HB CYS 28 2HB CYS 28 -1.812 1.261 -0.082 151 H ALA 29 H ALA 29 1.149 0.830 3.118 152 HA ALA 29 HA ALA 29 -1.069 0.562 5.000 153 1HB ALA 29 1HB ALA 29 1.771 1.554 5.416 154 2HB ALA 29 2HB ALA 29 0.618 1.074 6.676 155 3HB ALA 29 3HB ALA 29 1.239 -0.137 5.537 156 H CYS 30 H CYS 30 -2.039 2.375 3.309 157 HA CYS 30 HA CYS 30 -1.429 5.141 4.069 158 2HB CYS 30 2HB CYS 30 -3.778 3.990 2.546 159 H THR 31 H THR 31 -1.599 4.453 6.410 160 HA THR 31 HA THR 31 -4.215 4.066 7.572 161 HB THR 31 HB THR 31 -2.126 3.390 8.696 162 HG1 THR 31 HG1 THR 31 -3.870 3.689 10.007 163 1HG2 THR 31 1HG2 THR 31 -1.638 6.370 9.150 164 2HG2 THR 31 2HG2 THR 31 -0.728 5.027 9.855 165 3HG2 THR 31 3HG2 THR 31 -0.658 5.315 8.110 Start of MODEL 3 1 1H THR 1 1H THR 1 -9.809 -11.786 4.545 2 HA THR 1 HA THR 1 -9.876 -11.845 1.597 3 HB THR 1 HB THR 1 -11.995 -12.633 2.317 4 HG1 THR 1 HG1 THR 1 -11.930 -11.393 0.467 5 1HG2 THR 1 1HG2 THR 1 -12.212 -11.534 4.538 6 2HG2 THR 1 2HG2 THR 1 -12.564 -9.998 3.717 7 3HG2 THR 1 3HG2 THR 1 -13.641 -11.379 3.504 8 HA PRO 2 HA PRO 2 -7.967 -8.187 3.590 9 2HB PRO 2 2HB PRO 2 -5.963 -9.327 3.447 10 2HG PRO 2 2HG PRO 2 -5.374 -10.617 1.496 11 2HD PRO 2 2HD PRO 2 -7.377 -11.520 2.386 12 H PHE 3 H PHE 3 -9.956 -7.273 2.470 13 HA PHE 3 HA PHE 3 -9.663 -5.737 0.049 14 2HB PHE 3 2HB PHE 3 -11.570 -4.419 0.991 15 HD1 PHE 3 HD1 PHE 3 -12.542 -7.482 2.676 16 HD2 PHE 3 HD2 PHE 3 -12.102 -5.615 -1.192 17 HE1 PHE 3 HE1 PHE 3 -14.174 -9.072 1.715 18 HE2 PHE 3 HE2 PHE 3 -13.725 -7.228 -2.148 19 HZ PHE 3 HZ PHE 3 -14.775 -8.950 -0.690 20 H ALA 4 H ALA 4 -7.361 -5.061 0.570 21 HA ALA 4 HA ALA 4 -7.439 -2.304 1.718 22 1HB ALA 4 1HB ALA 4 -6.438 -3.709 3.438 23 2HB ALA 4 2HB ALA 4 -5.321 -4.427 2.264 24 3HB ALA 4 3HB ALA 4 -5.179 -2.706 2.691 25 H ILE 5 H ILE 5 -5.868 -0.888 0.833 26 HA ILE 5 HA ILE 5 -5.642 -1.066 -1.996 27 HB ILE 5 HB ILE 5 -4.287 0.754 0.035 28 2HG1 ILE 5 2HG1 ILE 5 -6.780 0.847 0.016 29 1HG2 ILE 5 1HG2 ILE 5 -3.816 2.269 -1.835 30 2HG2 ILE 5 2HG2 ILE 5 -3.039 0.728 -2.137 31 3HG2 ILE 5 3HG2 ILE 5 -4.553 1.125 -2.980 32 1HD1 ILE 5 1HD1 ILE 5 -5.453 2.950 0.393 33 2HD1 ILE 5 2HD1 ILE 5 -5.698 3.343 -1.329 34 3HD1 ILE 5 3HD1 ILE 5 -7.090 3.183 -0.253 35 H LYS 6 H LYS 6 -4.224 -2.295 -3.141 36 HA LYS 6 HA LYS 6 -2.062 -3.611 -1.800 37 2HB LYS 6 2HB LYS 6 -1.587 -4.508 -4.147 38 2HG LYS 6 2HG LYS 6 -4.317 -4.897 -2.837 39 2HD LYS 6 2HD LYS 6 -2.622 -6.635 -4.710 40 2HE LYS 6 2HE LYS 6 -4.412 -8.351 -4.377 41 1HZ LYS 6 1HZ LYS 6 -3.073 -7.649 -1.843 42 2HZ LYS 6 2HZ LYS 6 -3.686 -9.114 -2.252 43 3HZ LYS 6 3HZ LYS 6 -2.392 -8.512 -3.064 44 H CYS 7 H CYS 7 0.137 -3.582 -2.219 45 HA CYS 7 HA CYS 7 1.390 -1.222 -3.479 46 2HB CYS 7 2HB CYS 7 1.482 -1.816 -0.503 47 H ALA 8 H ALA 8 3.129 -2.139 -4.514 48 HA ALA 8 HA ALA 8 4.576 -4.422 -3.211 49 1HB ALA 8 1HB ALA 8 4.526 -3.453 -6.099 50 2HB ALA 8 2HB ALA 8 5.500 -4.795 -5.458 51 3HB ALA 8 3HB ALA 8 3.727 -4.906 -5.465 52 H THR 9 H THR 9 4.780 -1.196 -4.679 53 HA THR 9 HA THR 9 7.663 -0.944 -3.938 54 HB THR 9 HB THR 9 7.664 0.729 -5.785 55 HG1 THR 9 HG1 THR 9 4.974 -0.199 -6.164 56 1HG2 THR 9 1HG2 THR 9 6.588 -1.991 -6.663 57 2HG2 THR 9 2HG2 THR 9 7.520 -0.842 -7.640 58 3HG2 THR 9 3HG2 THR 9 8.278 -1.634 -6.245 59 H ASP 10 H ASP 10 8.366 1.301 -3.462 60 HA ASP 10 HA ASP 10 6.786 2.796 -1.570 61 2HB ASP 10 2HB ASP 10 9.269 2.856 -1.631 62 H ALA 11 H ALA 11 7.656 2.983 -5.002 63 HA ALA 11 HA ALA 11 6.305 5.185 -5.871 64 1HB ALA 11 1HB ALA 11 6.171 4.160 -8.081 65 2HB ALA 11 2HB ALA 11 7.723 3.792 -7.302 66 3HB ALA 11 3HB ALA 11 6.454 2.554 -7.389 67 H ASP 12 H ASP 12 4.733 1.925 -5.586 68 HA ASP 12 HA ASP 12 2.145 2.534 -6.397 69 2HB ASP 12 2HB ASP 12 1.386 0.999 -4.456 70 H CYS 13 H CYS 13 3.407 2.838 -3.061 71 HA CYS 13 HA CYS 13 0.949 4.040 -2.187 72 2HB CYS 13 2HB CYS 13 3.246 4.465 -0.390 73 H SER 14 H SER 14 4.049 5.373 -3.181 74 HA SER 14 HA SER 14 3.356 8.133 -2.674 75 2HB SER 14 2HB SER 14 5.417 7.122 -4.662 76 HG SER 14 HG SER 14 5.206 9.344 -2.891 77 H ARG 15 H ARG 15 1.271 6.824 -4.043 78 HA ARG 15 HA ARG 15 0.642 8.751 -6.070 79 2HB ARG 15 2HB ARG 15 -0.176 7.079 -7.730 80 2HG ARG 15 2HG ARG 15 1.929 6.154 -8.658 81 2HD ARG 15 2HD ARG 15 2.124 9.049 -7.745 82 HE ARG 15 HE ARG 15 4.098 7.481 -9.000 83 1HH1 ARG 15 1HH1 ARG 15 2.482 10.576 -9.371 84 2HH1 ARG 15 2HH1 ARG 15 3.819 11.392 -10.124 85 1HH2 ARG 15 1HH2 ARG 15 5.916 8.505 -9.995 86 2HH2 ARG 15 2HH2 ARG 15 5.833 10.164 -10.488 87 H LYS 16 H LYS 16 -0.178 5.592 -4.558 88 HA LYS 16 HA LYS 16 -3.000 6.087 -4.612 89 2HB LYS 16 2HB LYS 16 -3.116 4.022 -3.253 90 2HG LYS 16 2HG LYS 16 -1.206 3.998 -5.626 91 2HD LYS 16 2HD LYS 16 -2.798 1.611 -4.670 92 2HE LYS 16 2HE LYS 16 -0.196 1.960 -6.243 93 1HZ LYS 16 1HZ LYS 16 -0.087 -0.208 -6.483 94 2HZ LYS 16 2HZ LYS 16 -0.809 -0.233 -5.014 95 3HZ LYS 16 3HZ LYS 16 -1.715 -0.498 -6.359 96 H CYS 17 H CYS 17 -0.539 6.652 -2.033 97 HA CYS 17 HA CYS 17 -2.614 8.043 -0.458 98 2HB CYS 17 2HB CYS 17 -1.133 5.607 0.540 99 HA PRO 18 HA PRO 18 1.154 10.383 -0.667 100 2HB PRO 18 2HB PRO 18 -0.200 12.174 -1.222 101 2HG PRO 18 2HG PRO 18 -2.300 12.548 -0.107 102 2HD PRO 18 2HD PRO 18 -2.340 10.355 -1.046 103 H GLY 19 H GLY 19 2.583 11.776 0.756 104 1HA GLY 19 1HA GLY 19 3.805 12.087 2.691 105 2HA GLY 19 2HA GLY 19 2.575 11.238 3.637 106 H ASN 20 H ASN 20 3.619 9.595 0.796 107 HA ASN 20 HA ASN 20 4.408 7.466 0.594 108 2HB ASN 20 2HB ASN 20 6.923 7.532 0.759 109 1HD2 ASN 20 1HD2 ASN 20 8.060 8.278 -1.122 110 2HD2 ASN 20 2HD2 ASN 20 7.113 8.987 -2.427 111 HA PRO 21 HA PRO 21 4.633 5.719 4.863 112 2HB PRO 21 2HB PRO 21 2.411 5.985 5.475 113 2HG PRO 21 2HG PRO 21 0.726 6.373 3.836 114 2HD PRO 21 2HD PRO 21 2.305 7.973 3.290 115 HA PRO 22 HA PRO 22 6.138 2.476 2.264 116 2HB PRO 22 2HB PRO 22 7.604 2.094 4.042 117 2HG PRO 22 2HG PRO 22 6.805 1.924 6.314 118 2HD PRO 22 2HD PRO 22 6.206 4.061 5.461 119 H CYS 23 H CYS 23 5.852 0.122 1.644 120 HA CYS 23 HA CYS 23 3.050 -0.739 1.734 121 2HB CYS 23 2HB CYS 23 3.760 -2.683 0.553 122 H ARG 24 H ARG 24 2.269 -1.765 3.476 123 HA ARG 24 HA ARG 24 3.868 -3.481 5.256 124 2HB ARG 24 2HB ARG 24 0.856 -3.279 4.817 125 2HG ARG 24 2HG ARG 24 2.538 -4.529 7.052 126 2HD ARG 24 2HD ARG 24 0.334 -5.233 7.958 127 HE ARG 24 HE ARG 24 1.386 -2.635 8.165 128 1HH1 ARG 24 1HH1 ARG 24 -1.708 -4.248 8.626 129 2HH1 ARG 24 2HH1 ARG 24 -2.308 -3.136 9.818 130 1HH2 ARG 24 1HH2 ARG 24 0.633 -1.117 9.747 131 2HH2 ARG 24 2HH2 ARG 24 -0.928 -1.308 10.469 132 H ASN 25 H ASN 25 4.955 -4.291 3.374 133 HA ASN 25 HA ASN 25 5.199 -5.576 1.422 134 2HB ASN 25 2HB ASN 25 5.465 -7.924 2.240 135 1HD2 ASN 25 1HD2 ASN 25 5.942 -5.911 5.149 136 2HD2 ASN 25 2HD2 ASN 25 7.663 -5.684 4.877 137 H GLY 26 H GLY 26 3.297 -5.021 0.119 138 1HA GLY 26 1HA GLY 26 1.983 -6.438 -1.391 139 2HA GLY 26 2HA GLY 26 1.260 -7.230 0.013 140 H PHE 27 H PHE 27 1.130 -4.646 1.578 141 HA PHE 27 HA PHE 27 -1.056 -3.277 0.082 142 2HB PHE 27 2HB PHE 27 -2.418 -3.380 2.106 143 HD1 PHE 27 HD1 PHE 27 -0.780 -6.683 2.428 144 HD2 PHE 27 HD2 PHE 27 -3.751 -4.419 0.282 145 HE1 PHE 27 HE1 PHE 27 -1.852 -8.788 1.691 146 HE2 PHE 27 HE2 PHE 27 -4.943 -6.513 -0.284 147 HZ PHE 27 HZ PHE 27 -3.967 -8.717 0.399 148 H CYS 28 H CYS 28 -1.347 -1.121 0.511 149 HA CYS 28 HA CYS 28 0.931 0.411 1.364 150 2HB CYS 28 2HB CYS 28 -1.239 2.117 1.577 151 H ALA 29 H ALA 29 1.578 0.929 3.483 152 HA ALA 29 HA ALA 29 -0.262 0.434 5.736 153 1HB ALA 29 1HB ALA 29 1.599 1.193 7.098 154 2HB ALA 29 2HB ALA 29 2.193 0.024 5.903 155 3HB ALA 29 3HB ALA 29 2.477 1.759 5.667 156 H CYS 30 H CYS 30 -1.681 2.034 4.152 157 HA CYS 30 HA CYS 30 -0.883 4.725 3.942 158 2HB CYS 30 2HB CYS 30 -3.651 3.520 3.744 159 H THR 31 H THR 31 -1.087 6.532 5.211 160 HA THR 31 HA THR 31 -1.890 6.428 7.947 161 HB THR 31 HB THR 31 -1.757 9.023 7.425 162 HG1 THR 31 HG1 THR 31 -0.607 9.349 5.427 163 1HG2 THR 31 1HG2 THR 31 0.054 7.748 8.539 164 2HG2 THR 31 2HG2 THR 31 0.648 7.189 6.961 165 3HG2 THR 31 3HG2 THR 31 0.724 8.913 7.384 Start of MODEL 4 1 1H THR 1 1H THR 1 -13.534 -10.816 2.209 2 HA THR 1 HA THR 1 -14.594 -9.845 -0.301 3 HB THR 1 HB THR 1 -14.771 -7.743 1.328 4 HG1 THR 1 HG1 THR 1 -14.890 -8.596 3.528 5 1HG2 THR 1 1HG2 THR 1 -16.709 -9.111 0.592 6 2HG2 THR 1 2HG2 THR 1 -16.344 -10.310 1.851 7 3HG2 THR 1 3HG2 THR 1 -16.851 -8.666 2.301 8 HA PRO 2 HA PRO 2 -10.758 -7.964 -1.513 9 2HB PRO 2 2HB PRO 2 -11.801 -7.296 -3.470 10 2HG PRO 2 2HG PRO 2 -14.055 -6.469 -3.465 11 2HD PRO 2 2HD PRO 2 -14.101 -8.601 -2.403 12 H PHE 3 H PHE 3 -9.277 -6.775 -0.358 13 HA PHE 3 HA PHE 3 -10.004 -4.408 1.188 14 2HB PHE 3 2HB PHE 3 -8.618 -5.846 3.095 15 HD1 PHE 3 HD1 PHE 3 -12.001 -7.226 2.711 16 HD2 PHE 3 HD2 PHE 3 -9.657 -3.959 4.281 17 HE1 PHE 3 HE1 PHE 3 -13.887 -6.560 4.173 18 HE2 PHE 3 HE2 PHE 3 -11.546 -3.307 5.740 19 HZ PHE 3 HZ PHE 3 -13.665 -4.606 5.692 20 H ALA 4 H ALA 4 -8.099 -3.388 1.961 21 HA ALA 4 HA ALA 4 -5.987 -2.774 2.164 22 1HB ALA 4 1HB ALA 4 -4.244 -4.397 2.313 23 2HB ALA 4 2HB ALA 4 -5.716 -5.047 3.041 24 3HB ALA 4 3HB ALA 4 -5.204 -5.609 1.439 25 H ILE 5 H ILE 5 -5.279 -1.275 0.849 26 HA ILE 5 HA ILE 5 -5.263 -1.362 -1.995 27 HB ILE 5 HB ILE 5 -3.852 0.431 0.026 28 2HG1 ILE 5 2HG1 ILE 5 -6.356 0.420 0.125 29 1HG2 ILE 5 1HG2 ILE 5 -3.554 2.040 -1.812 30 2HG2 ILE 5 2HG2 ILE 5 -2.714 0.548 -2.174 31 3HG2 ILE 5 3HG2 ILE 5 -4.279 0.885 -2.955 32 1HD1 ILE 5 1HD1 ILE 5 -6.742 2.757 0.020 33 2HD1 ILE 5 2HD1 ILE 5 -5.073 2.537 0.579 34 3HD1 ILE 5 3HD1 ILE 5 -5.407 3.029 -1.100 35 H LYS 6 H LYS 6 -3.961 -2.741 -3.135 36 HA LYS 6 HA LYS 6 -1.614 -3.975 -2.120 37 2HB LYS 6 2HB LYS 6 -1.275 -4.679 -4.503 38 2HG LYS 6 2HG LYS 6 -4.094 -4.962 -3.354 39 2HD LYS 6 2HD LYS 6 -2.568 -6.656 -5.383 40 2HE LYS 6 2HE LYS 6 -5.381 -6.933 -4.194 41 1HZ LYS 6 1HZ LYS 6 -5.444 -8.962 -5.444 42 2HZ LYS 6 2HZ LYS 6 -5.259 -7.694 -6.471 43 3HZ LYS 6 3HZ LYS 6 -3.978 -8.670 -6.121 44 H CYS 7 H CYS 7 0.564 -3.624 -2.390 45 HA CYS 7 HA CYS 7 1.552 -1.106 -3.614 46 2HB CYS 7 2HB CYS 7 1.699 -1.877 -0.676 47 H ALA 8 H ALA 8 3.452 -1.689 -4.666 48 HA ALA 8 HA ALA 8 5.103 -3.911 -3.526 49 1HB ALA 8 1HB ALA 8 5.088 -2.618 -6.282 50 2HB ALA 8 2HB ALA 8 6.170 -3.914 -5.733 51 3HB ALA 8 3HB ALA 8 4.425 -4.212 -5.865 52 H THR 9 H THR 9 4.998 -0.511 -4.552 53 HA THR 9 HA THR 9 7.803 -0.074 -3.598 54 HB THR 9 HB THR 9 7.788 1.702 -5.350 55 HG1 THR 9 HG1 THR 9 5.246 0.544 -6.013 56 1HG2 THR 9 1HG2 THR 9 7.964 0.236 -7.283 57 2HG2 THR 9 2HG2 THR 9 8.676 -0.557 -5.864 58 3HG2 THR 9 3HG2 THR 9 7.072 -1.051 -6.451 59 H ASP 10 H ASP 10 8.342 2.004 -2.826 60 HA ASP 10 HA ASP 10 6.750 3.689 -1.222 61 2HB ASP 10 2HB ASP 10 9.108 4.018 -1.333 62 H ALA 11 H ALA 11 7.538 4.179 -4.706 63 HA ALA 11 HA ALA 11 5.787 6.010 -5.453 64 1HB ALA 11 1HB ALA 11 5.825 5.084 -7.710 65 2HB ALA 11 2HB ALA 11 7.416 4.939 -6.936 66 3HB ALA 11 3HB ALA 11 6.368 3.514 -7.089 67 H ASP 12 H ASP 12 4.721 2.535 -5.193 68 HA ASP 12 HA ASP 12 2.064 2.889 -6.083 69 2HB ASP 12 2HB ASP 12 1.472 1.132 -4.308 70 H CYS 13 H CYS 13 3.281 3.114 -2.712 71 HA CYS 13 HA CYS 13 0.828 4.078 -1.598 72 2HB CYS 13 2HB CYS 13 2.482 5.263 0.065 73 H SER 14 H SER 14 3.724 5.869 -2.697 74 HA SER 14 HA SER 14 2.502 8.454 -2.384 75 2HB SER 14 2HB SER 14 4.961 7.957 -4.066 76 HG SER 14 HG SER 14 5.570 9.855 -3.029 77 H ARG 15 H ARG 15 0.879 6.921 -4.014 78 HA ARG 15 HA ARG 15 0.377 8.720 -6.251 79 2HB ARG 15 2HB ARG 15 -0.209 6.669 -7.693 80 2HG ARG 15 2HG ARG 15 2.730 7.223 -7.141 81 2HD ARG 15 2HD ARG 15 1.421 5.768 -9.490 82 HE ARG 15 HE ARG 15 4.307 5.702 -9.123 83 1HH1 ARG 15 1HH1 ARG 15 1.733 7.610 -10.551 84 2HH1 ARG 15 2HH1 ARG 15 2.701 8.319 -11.810 85 1HH2 ARG 15 1HH2 ARG 15 5.666 6.634 -10.747 86 2HH2 ARG 15 2HH2 ARG 15 5.017 7.753 -11.901 87 H LYS 16 H LYS 16 -0.443 5.674 -4.524 88 HA LYS 16 HA LYS 16 -3.292 6.010 -4.821 89 2HB LYS 16 2HB LYS 16 -3.323 4.017 -3.301 90 2HG LYS 16 2HG LYS 16 -1.531 4.086 -5.766 91 2HD LYS 16 2HD LYS 16 -2.361 1.609 -4.226 92 2HE LYS 16 2HE LYS 16 -1.063 2.035 -6.956 93 1HZ LYS 16 1HZ LYS 16 -1.001 -0.360 -5.245 94 2HZ LYS 16 2HZ LYS 16 -0.891 -0.434 -6.894 95 3HZ LYS 16 3HZ LYS 16 0.228 0.365 -6.067 96 H CYS 17 H CYS 17 -0.960 7.152 -2.400 97 HA CYS 17 HA CYS 17 -3.044 8.705 -1.109 98 2HB CYS 17 2HB CYS 17 -1.835 6.261 0.161 99 HA PRO 18 HA PRO 18 0.559 11.253 -1.004 100 2HB PRO 18 2HB PRO 18 -0.906 13.046 -0.907 101 2HG PRO 18 2HG PRO 18 -2.847 13.003 0.523 102 2HD PRO 18 2HD PRO 18 -2.943 11.131 -0.958 103 H GLY 19 H GLY 19 2.206 12.228 0.524 104 1HA GLY 19 1HA GLY 19 3.370 12.360 2.512 105 2HA GLY 19 2HA GLY 19 2.262 11.225 3.281 106 H ASN 20 H ASN 20 2.922 9.514 0.646 107 HA ASN 20 HA ASN 20 4.148 7.678 0.227 108 2HB ASN 20 2HB ASN 20 6.503 9.386 1.118 109 1HD2 ASN 20 1HD2 ASN 20 8.555 8.711 0.202 110 2HD2 ASN 20 2HD2 ASN 20 8.742 7.090 -0.451 111 HA PRO 21 HA PRO 21 4.713 6.120 4.592 112 2HB PRO 21 2HB PRO 21 2.512 6.167 5.286 113 2HG PRO 21 2HG PRO 21 0.744 6.384 3.739 114 2HD PRO 21 2HD PRO 21 2.178 8.091 3.069 115 HA PRO 22 HA PRO 22 6.334 2.638 2.387 116 2HB PRO 22 2HB PRO 22 7.582 2.346 4.345 117 2HG PRO 22 2HG PRO 22 6.519 2.239 6.510 118 2HD PRO 22 2HD PRO 22 5.993 4.347 5.563 119 H CYS 23 H CYS 23 6.028 0.369 1.690 120 HA CYS 23 HA CYS 23 3.256 -0.631 1.812 121 2HB CYS 23 2HB CYS 23 4.016 -2.487 0.517 122 H ARG 24 H ARG 24 2.695 -2.471 3.040 123 HA ARG 24 HA ARG 24 4.725 -3.789 4.750 124 2HB ARG 24 2HB ARG 24 2.025 -2.699 5.674 125 2HG ARG 24 2HG ARG 24 4.215 -4.206 7.182 126 2HD ARG 24 2HD ARG 24 1.594 -2.940 8.145 127 HE ARG 24 HE ARG 24 3.450 -4.050 10.094 128 1HH1 ARG 24 1HH1 ARG 24 0.706 -4.876 8.050 129 2HH1 ARG 24 2HH1 ARG 24 0.111 -6.158 9.059 130 1HH2 ARG 24 1HH2 ARG 24 2.718 -5.762 11.468 131 2HH2 ARG 24 2HH2 ARG 24 1.309 -6.679 11.048 132 H ASN 25 H ASN 25 4.528 -5.946 4.370 133 HA ASN 25 HA ASN 25 3.794 -7.897 3.488 134 2HB ASN 25 2HB ASN 25 1.151 -6.987 4.708 135 1HD2 ASN 25 1HD2 ASN 25 3.213 -9.953 4.108 136 2HD2 ASN 25 2HD2 ASN 25 1.820 -10.969 3.804 137 H GLY 26 H GLY 26 3.800 -5.670 1.656 138 1HA GLY 26 1HA GLY 26 3.344 -5.445 -0.562 139 2HA GLY 26 2HA GLY 26 2.300 -6.862 -0.512 140 H PHE 27 H PHE 27 1.489 -4.375 1.831 141 HA PHE 27 HA PHE 27 -0.559 -3.216 0.012 142 2HB PHE 27 2HB PHE 27 -2.124 -3.268 1.892 143 HD1 PHE 27 HD1 PHE 27 -0.722 -6.437 2.942 144 HD2 PHE 27 HD2 PHE 27 -2.904 -4.519 -0.240 145 HE1 PHE 27 HE1 PHE 27 -1.562 -8.633 2.198 146 HE2 PHE 27 HE2 PHE 27 -3.859 -6.705 -0.901 147 HZ PHE 27 HZ PHE 27 -3.156 -8.781 0.287 148 H CYS 28 H CYS 28 -1.022 -1.005 0.362 149 HA CYS 28 HA CYS 28 1.250 0.454 1.336 150 2HB CYS 28 2HB CYS 28 -1.493 1.465 0.493 151 H ALA 29 H ALA 29 1.706 1.056 3.426 152 HA ALA 29 HA ALA 29 -0.318 0.700 5.494 153 1HB ALA 29 1HB ALA 29 1.495 1.206 7.021 154 2HB ALA 29 2HB ALA 29 2.066 0.069 5.781 155 3HB ALA 29 3HB ALA 29 2.512 1.789 5.686 156 H CYS 30 H CYS 30 -1.280 2.594 3.745 157 HA CYS 30 HA CYS 30 -1.029 5.248 5.099 158 2HB CYS 30 2HB CYS 30 -2.425 4.369 2.541 159 H THR 31 H THR 31 -3.364 2.688 4.260 160 HA THR 31 HA THR 31 -5.535 2.378 4.827 161 HB THR 31 HB THR 31 -4.314 1.228 6.565 162 HG1 THR 31 HG1 THR 31 -6.475 2.339 7.933 163 1HG2 THR 31 1HG2 THR 31 -4.576 3.761 8.249 164 2HG2 THR 31 2HG2 THR 31 -4.141 2.154 8.865 165 3HG2 THR 31 3HG2 THR 31 -3.075 2.969 7.721 Start of MODEL 5 1 1H THR 1 1H THR 1 -8.995 -9.234 -3.033 2 HA THR 1 HA THR 1 -11.423 -9.952 -1.723 3 HB THR 1 HB THR 1 -9.888 -10.506 0.071 4 HG1 THR 1 HG1 THR 1 -10.739 -9.148 1.632 5 1HG2 THR 1 1HG2 THR 1 -8.810 -7.655 -0.085 6 2HG2 THR 1 2HG2 THR 1 -8.383 -8.881 1.121 7 3HG2 THR 1 3HG2 THR 1 -7.926 -9.114 -0.573 8 HA PRO 2 HA PRO 2 -11.856 -5.739 -3.283 9 2HB PRO 2 2HB PRO 2 -14.094 -6.374 -3.536 10 2HG PRO 2 2HG PRO 2 -15.313 -7.455 -1.755 11 2HD PRO 2 2HD PRO 2 -13.476 -8.845 -2.320 12 H PHE 3 H PHE 3 -9.931 -5.654 -1.479 13 HA PHE 3 HA PHE 3 -10.251 -3.282 0.084 14 2HB PHE 3 2HB PHE 3 -10.189 -5.976 1.527 15 HD1 PHE 3 HD1 PHE 3 -8.713 -5.910 3.387 16 HD2 PHE 3 HD2 PHE 3 -10.973 -2.379 2.365 17 HE1 PHE 3 HE1 PHE 3 -7.641 -4.682 5.249 18 HE2 PHE 3 HE2 PHE 3 -9.890 -1.154 4.232 19 HZ PHE 3 HZ PHE 3 -8.212 -2.298 5.665 20 H ALA 4 H ALA 4 -8.165 -3.094 1.479 21 HA ALA 4 HA ALA 4 -5.929 -3.016 1.644 22 1HB ALA 4 1HB ALA 4 -4.781 -5.105 1.777 23 2HB ALA 4 2HB ALA 4 -6.401 -5.298 2.441 24 3HB ALA 4 3HB ALA 4 -6.038 -5.935 0.826 25 H ILE 5 H ILE 5 -5.601 -1.503 0.037 26 HA ILE 5 HA ILE 5 -5.188 -1.893 -2.724 27 HB ILE 5 HB ILE 5 -4.031 0.107 -0.744 28 2HG1 ILE 5 2HG1 ILE 5 -6.658 -0.132 -1.253 29 1HG2 ILE 5 1HG2 ILE 5 -3.676 1.589 -2.738 30 2HG2 ILE 5 2HG2 ILE 5 -2.630 0.177 -2.735 31 3HG2 ILE 5 3HG2 ILE 5 -4.058 0.212 -3.791 32 1HD1 ILE 5 1HD1 ILE 5 -6.928 2.272 -0.935 33 2HD1 ILE 5 2HD1 ILE 5 -5.703 1.607 0.160 34 3HD1 ILE 5 3HD1 ILE 5 -5.201 2.536 -1.264 35 H LYS 6 H LYS 6 -3.694 -3.292 -3.631 36 HA LYS 6 HA LYS 6 -1.310 -4.064 -2.235 37 2HB LYS 6 2HB LYS 6 -0.703 -4.961 -4.656 38 2HG LYS 6 2HG LYS 6 -2.143 -6.942 -4.388 39 2HD LYS 6 2HD LYS 6 -1.039 -6.042 -1.721 40 2HE LYS 6 2HE LYS 6 -0.637 -8.822 -2.697 41 1HZ LYS 6 1HZ LYS 6 -1.161 -7.645 -0.032 42 2HZ LYS 6 2HZ LYS 6 -0.712 -9.186 -0.313 43 3HZ LYS 6 3HZ LYS 6 0.340 -7.951 -0.530 44 H CYS 7 H CYS 7 0.862 -3.845 -2.948 45 HA CYS 7 HA CYS 7 1.703 -1.242 -4.059 46 2HB CYS 7 2HB CYS 7 1.761 -2.083 -1.122 47 H ALA 8 H ALA 8 3.639 -1.795 -5.097 48 HA ALA 8 HA ALA 8 5.232 -4.103 -4.038 49 1HB ALA 8 1HB ALA 8 4.620 -4.238 -6.407 50 2HB ALA 8 2HB ALA 8 5.321 -2.635 -6.703 51 3HB ALA 8 3HB ALA 8 6.366 -3.982 -6.210 52 H THR 9 H THR 9 5.180 -0.640 -4.782 53 HA THR 9 HA THR 9 7.950 -0.288 -3.702 54 HB THR 9 HB THR 9 8.083 1.510 -5.422 55 HG1 THR 9 HG1 THR 9 5.548 0.438 -6.235 56 1HG2 THR 9 1HG2 THR 9 8.331 0.094 -7.376 57 2HG2 THR 9 2HG2 THR 9 8.927 -0.772 -5.945 58 3HG2 THR 9 3HG2 THR 9 7.347 -1.187 -6.646 59 H ASP 10 H ASP 10 8.459 1.742 -2.873 60 HA ASP 10 HA ASP 10 6.844 3.467 -1.358 61 2HB ASP 10 2HB ASP 10 9.218 3.710 -1.352 62 H ALA 11 H ALA 11 7.800 3.907 -4.815 63 HA ALA 11 HA ALA 11 6.203 5.828 -5.647 64 1HB ALA 11 1HB ALA 11 7.773 4.634 -7.078 65 2HB ALA 11 2HB ALA 11 6.616 3.301 -7.269 66 3HB ALA 11 3HB ALA 11 6.213 4.913 -7.879 67 H ASP 12 H ASP 12 4.916 2.427 -5.488 68 HA ASP 12 HA ASP 12 2.347 2.978 -6.473 69 2HB ASP 12 2HB ASP 12 1.552 1.056 -5.098 70 H CYS 13 H CYS 13 3.368 3.026 -3.025 71 HA CYS 13 HA CYS 13 0.882 4.067 -2.010 72 2HB CYS 13 2HB CYS 13 2.443 5.104 -0.215 73 H SER 14 H SER 14 3.885 5.657 -3.013 74 HA SER 14 HA SER 14 3.013 8.354 -2.576 75 2HB SER 14 2HB SER 14 5.337 7.259 -4.198 76 HG SER 14 HG SER 14 4.878 9.516 -4.375 77 H ARG 15 H ARG 15 1.174 7.023 -4.307 78 HA ARG 15 HA ARG 15 1.073 8.980 -6.529 79 2HB ARG 15 2HB ARG 15 -0.112 7.112 -7.857 80 2HG ARG 15 2HG ARG 15 2.107 5.831 -8.347 81 2HD ARG 15 2HD ARG 15 2.019 8.865 -8.678 82 HE ARG 15 HE ARG 15 4.033 8.493 -9.629 83 1HH1 ARG 15 1HH1 ARG 15 1.936 5.808 -10.490 84 2HH1 ARG 15 2HH1 ARG 15 3.027 5.078 -11.626 85 1HH2 ARG 15 1HH2 ARG 15 5.535 7.571 -11.132 86 2HH2 ARG 15 2HH2 ARG 15 5.137 6.121 -11.992 87 H LYS 16 H LYS 16 -0.634 6.392 -4.700 88 HA LYS 16 HA LYS 16 -3.168 7.831 -4.948 89 2HB LYS 16 2HB LYS 16 -2.546 5.266 -3.443 90 2HG LYS 16 2HG LYS 16 -5.085 6.370 -4.740 91 2HD LYS 16 2HD LYS 16 -4.597 3.837 -3.103 92 2HE LYS 16 2HE LYS 16 -6.923 3.253 -3.706 93 1HZ LYS 16 1HZ LYS 16 -8.094 4.862 -2.410 94 2HZ LYS 16 2HZ LYS 16 -6.647 4.563 -1.688 95 3HZ LYS 16 3HZ LYS 16 -6.879 5.956 -2.533 96 H CYS 17 H CYS 17 -0.711 7.270 -2.413 97 HA CYS 17 HA CYS 17 -2.410 8.726 -0.433 98 2HB CYS 17 2HB CYS 17 -0.813 6.197 0.004 99 HA PRO 18 HA PRO 18 1.624 10.838 -0.541 100 2HB PRO 18 2HB PRO 18 0.411 12.763 -1.036 101 2HG PRO 18 2HG PRO 18 -1.702 13.224 0.014 102 2HD PRO 18 2HD PRO 18 -1.943 11.118 -1.065 103 H GLY 19 H GLY 19 2.878 12.123 1.298 104 1HA GLY 19 1HA GLY 19 3.958 11.977 3.326 105 2HA GLY 19 2HA GLY 19 2.536 11.185 4.028 106 H ASN 20 H ASN 20 3.988 9.995 1.104 107 HA ASN 20 HA ASN 20 4.447 7.756 0.636 108 2HB ASN 20 2HB ASN 20 6.935 7.736 0.719 109 1HD2 ASN 20 1HD2 ASN 20 7.713 8.453 -1.287 110 2HD2 ASN 20 2HD2 ASN 20 6.697 9.495 -2.283 111 HA PRO 21 HA PRO 21 4.536 5.497 4.658 112 2HB PRO 21 2HB PRO 21 2.249 5.546 5.029 113 2HG PRO 21 2HG PRO 21 0.723 5.937 3.233 114 2HD PRO 21 2HD PRO 21 2.252 7.696 3.090 115 HA PRO 22 HA PRO 22 6.300 2.201 2.192 116 2HB PRO 22 2HB PRO 22 7.501 1.824 4.180 117 2HG PRO 22 2HG PRO 22 6.369 1.591 6.304 118 2HD PRO 22 2HD PRO 22 5.893 3.751 5.464 119 H CYS 23 H CYS 23 6.022 -0.147 1.583 120 HA CYS 23 HA CYS 23 3.203 -1.032 1.512 121 2HB CYS 23 2HB CYS 23 3.935 -2.812 0.134 122 H ARG 24 H ARG 24 2.519 -2.802 2.783 123 HA ARG 24 HA ARG 24 4.477 -4.247 4.503 124 2HB ARG 24 2HB ARG 24 1.798 -3.069 5.372 125 2HG ARG 24 2HG ARG 24 4.000 -4.492 6.942 126 2HD ARG 24 2HD ARG 24 1.360 -3.264 7.848 127 HE ARG 24 HE ARG 24 2.927 -5.269 9.092 128 1HH1 ARG 24 1HH1 ARG 24 1.519 -2.138 9.871 129 2HH1 ARG 24 2HH1 ARG 24 1.355 -2.437 11.575 130 1HH2 ARG 24 1HH2 ARG 24 2.734 -5.721 11.359 131 2HH2 ARG 24 2HH2 ARG 24 2.067 -4.539 12.434 132 H ASN 25 H ASN 25 4.202 -6.420 4.118 133 HA ASN 25 HA ASN 25 3.505 -8.252 2.986 134 2HB ASN 25 2HB ASN 25 0.753 -7.444 3.996 135 1HD2 ASN 25 1HD2 ASN 25 -0.580 -9.447 4.518 136 2HD2 ASN 25 2HD2 ASN 25 -0.452 -10.797 3.405 137 H GLY 26 H GLY 26 3.967 -6.015 1.501 138 1HA GLY 26 1HA GLY 26 3.695 -5.027 -0.499 139 2HA GLY 26 2HA GLY 26 2.905 -6.512 -1.035 140 H PHE 27 H PHE 27 1.469 -4.570 1.612 141 HA PHE 27 HA PHE 27 -0.602 -3.516 -0.257 142 2HB PHE 27 2HB PHE 27 -2.079 -3.471 1.711 143 HD1 PHE 27 HD1 PHE 27 -1.079 -6.523 3.073 144 HD2 PHE 27 HD2 PHE 27 -2.833 -4.777 -0.437 145 HE1 PHE 27 HE1 PHE 27 -2.400 -8.590 2.709 146 HE2 PHE 27 HE2 PHE 27 -4.189 -6.814 -0.782 147 HZ PHE 27 HZ PHE 27 -3.992 -8.724 0.801 148 H CYS 28 H CYS 28 -0.981 -1.268 -0.135 149 HA CYS 28 HA CYS 28 1.235 0.238 0.922 150 2HB CYS 28 2HB CYS 28 -1.478 1.246 -0.019 151 H ALA 29 H ALA 29 1.589 0.857 3.026 152 HA ALA 29 HA ALA 29 -0.499 0.432 5.012 153 1HB ALA 29 1HB ALA 29 1.251 1.027 6.605 154 2HB ALA 29 2HB ALA 29 1.871 -0.130 5.408 155 3HB ALA 29 3HB ALA 29 2.300 1.590 5.286 156 H CYS 30 H CYS 30 -1.683 2.196 3.438 157 HA CYS 30 HA CYS 30 -1.147 4.984 4.114 158 2HB CYS 30 2HB CYS 30 -3.565 3.753 2.763 159 H THR 31 H THR 31 -1.193 4.260 6.484 160 HA THR 31 HA THR 31 -3.532 3.522 7.811 161 HB THR 31 HB THR 31 -1.319 3.424 8.819 162 HG1 THR 31 HG1 THR 31 -3.183 5.045 10.188 163 1HG2 THR 31 1HG2 THR 31 -0.229 5.404 9.775 164 2HG2 THR 31 2HG2 THR 31 -0.319 5.540 8.013 165 3HG2 THR 31 3HG2 THR 31 -1.437 6.469 9.038 Start of MODEL 6 1 1H THR 1 1H THR 1 -7.493 -7.793 6.274 2 HA THR 1 HA THR 1 -10.012 -6.894 7.350 3 HB THR 1 HB THR 1 -7.968 -4.876 6.305 4 HG1 THR 1 HG1 THR 1 -7.748 -5.776 8.483 5 1HG2 THR 1 1HG2 THR 1 -10.763 -4.420 7.452 6 2HG2 THR 1 2HG2 THR 1 -9.603 -3.166 6.984 7 3HG2 THR 1 3HG2 THR 1 -10.306 -4.212 5.740 8 HA PRO 2 HA PRO 2 -10.496 -7.964 2.975 9 2HB PRO 2 2HB PRO 2 -12.507 -8.878 3.722 10 2HG PRO 2 2HG PRO 2 -13.987 -7.658 5.182 11 2HD PRO 2 2HD PRO 2 -11.915 -7.927 6.302 12 H PHE 3 H PHE 3 -9.134 -5.713 3.111 13 HA PHE 3 HA PHE 3 -9.914 -4.211 0.825 14 2HB PHE 3 2HB PHE 3 -10.068 -2.733 3.490 15 HD1 PHE 3 HD1 PHE 3 -11.541 -2.119 0.105 16 HD2 PHE 3 HD2 PHE 3 -8.678 -0.798 3.053 17 HE1 PHE 3 HE1 PHE 3 -11.150 -0.044 -1.196 18 HE2 PHE 3 HE2 PHE 3 -8.333 1.289 1.778 19 HZ PHE 3 HZ PHE 3 -9.560 1.671 -0.359 20 H ALA 4 H ALA 4 -7.858 -4.336 0.001 21 HA ALA 4 HA ALA 4 -5.539 -3.487 1.644 22 1HB ALA 4 1HB ALA 4 -5.769 -6.259 0.408 23 2HB ALA 4 2HB ALA 4 -4.422 -5.600 1.364 24 3HB ALA 4 3HB ALA 4 -5.978 -5.894 2.133 25 H ILE 5 H ILE 5 -5.195 -1.786 0.245 26 HA ILE 5 HA ILE 5 -5.214 -2.010 -2.628 27 HB ILE 5 HB ILE 5 -3.951 0.034 -0.763 28 2HG1 ILE 5 2HG1 ILE 5 -6.674 -0.441 -0.996 29 1HG2 ILE 5 1HG2 ILE 5 -4.097 1.535 -2.788 30 2HG2 ILE 5 2HG2 ILE 5 -2.931 0.227 -2.961 31 3HG2 ILE 5 3HG2 ILE 5 -4.515 0.116 -3.759 32 1HD1 ILE 5 1HD1 ILE 5 -5.199 2.179 -0.554 33 2HD1 ILE 5 2HD1 ILE 5 -6.930 1.931 -0.246 34 3HD1 ILE 5 3HD1 ILE 5 -5.720 1.012 0.671 35 H LYS 6 H LYS 6 -3.665 -3.106 -3.781 36 HA LYS 6 HA LYS 6 -1.314 -4.198 -2.656 37 2HB LYS 6 2HB LYS 6 -0.663 -4.626 -5.025 38 2HG LYS 6 2HG LYS 6 -3.521 -5.321 -4.210 39 2HD LYS 6 2HD LYS 6 -3.143 -5.752 -6.622 40 2HE LYS 6 2HE LYS 6 -0.864 -7.516 -5.575 41 1HZ LYS 6 1HZ LYS 6 -1.951 -7.347 -8.310 42 2HZ LYS 6 2HZ LYS 6 -0.620 -8.190 -7.847 43 3HZ LYS 6 3HZ LYS 6 -2.101 -8.641 -7.300 44 H CYS 7 H CYS 7 0.866 -3.739 -2.842 45 HA CYS 7 HA CYS 7 1.823 -1.150 -3.903 46 2HB CYS 7 2HB CYS 7 1.826 -1.941 -0.965 47 H ALA 8 H ALA 8 3.759 -1.752 -4.886 48 HA ALA 8 HA ALA 8 5.260 -4.101 -3.790 49 1HB ALA 8 1HB ALA 8 5.471 -2.621 -6.444 50 2HB ALA 8 2HB ALA 8 6.450 -4.012 -5.930 51 3HB ALA 8 3HB ALA 8 4.702 -4.203 -6.181 52 H THR 9 H THR 9 5.331 -0.645 -4.559 53 HA THR 9 HA THR 9 8.045 -0.339 -3.329 54 HB THR 9 HB THR 9 8.320 1.428 -5.078 55 HG1 THR 9 HG1 THR 9 5.811 0.377 -5.994 56 1HG2 THR 9 1HG2 THR 9 9.197 -0.870 -5.462 57 2HG2 THR 9 2HG2 THR 9 7.676 -1.307 -6.270 58 3HG2 THR 9 3HG2 THR 9 8.720 -0.052 -6.963 59 H ASP 10 H ASP 10 8.483 1.653 -2.375 60 HA ASP 10 HA ASP 10 6.755 3.307 -0.936 61 2HB ASP 10 2HB ASP 10 9.114 3.555 -0.727 62 H ALA 11 H ALA 11 7.957 3.933 -4.278 63 HA ALA 11 HA ALA 11 6.391 5.852 -5.196 64 1HB ALA 11 1HB ALA 11 6.562 4.947 -7.426 65 2HB ALA 11 2HB ALA 11 8.067 4.681 -6.522 66 3HB ALA 11 3HB ALA 11 6.939 3.338 -6.788 67 H ASP 12 H ASP 12 5.057 2.486 -4.816 68 HA ASP 12 HA ASP 12 2.597 3.110 -6.164 69 2HB ASP 12 2HB ASP 12 1.691 1.110 -4.993 70 H CYS 13 H CYS 13 3.516 3.160 -2.705 71 HA CYS 13 HA CYS 13 0.948 4.167 -1.800 72 2HB CYS 13 2HB CYS 13 2.421 5.233 0.050 73 H SER 14 H SER 14 4.021 5.734 -2.626 74 HA SER 14 HA SER 14 3.070 8.460 -2.464 75 2HB SER 14 2HB SER 14 5.564 7.220 -3.687 76 HG SER 14 HG SER 14 5.138 9.360 -4.356 77 H ARG 15 H ARG 15 1.235 7.450 -3.955 78 HA ARG 15 HA ARG 15 1.179 8.688 -6.526 79 2HB ARG 15 2HB ARG 15 1.540 5.658 -6.417 80 2HG ARG 15 2HG ARG 15 0.866 7.446 -8.781 81 2HD ARG 15 2HD ARG 15 2.568 5.771 -9.349 82 HE ARG 15 HE ARG 15 2.492 3.793 -8.224 83 1HH1 ARG 15 1HH1 ARG 15 -0.761 4.540 -9.295 84 2HH1 ARG 15 2HH1 ARG 15 -1.427 2.971 -8.945 85 1HH2 ARG 15 1HH2 ARG 15 1.685 1.640 -7.809 86 2HH2 ARG 15 2HH2 ARG 15 0.001 1.313 -8.005 87 H LYS 16 H LYS 16 -0.004 5.901 -4.523 88 HA LYS 16 HA LYS 16 -2.771 6.487 -5.123 89 2HB LYS 16 2HB LYS 16 -1.789 4.932 -2.704 90 2HG LYS 16 2HG LYS 16 -3.785 3.609 -4.263 91 2HD LYS 16 2HD LYS 16 -3.551 3.521 -1.752 92 2HE LYS 16 2HE LYS 16 -5.095 6.153 -1.987 93 1HZ LYS 16 1HZ LYS 16 -6.040 4.755 -0.262 94 2HZ LYS 16 2HZ LYS 16 -4.587 4.594 0.494 95 3HZ LYS 16 3HZ LYS 16 -5.273 6.062 0.365 96 H CYS 17 H CYS 17 -0.465 7.557 -2.600 97 HA CYS 17 HA CYS 17 -2.399 9.455 -1.494 98 2HB CYS 17 2HB CYS 17 -1.664 6.822 -0.292 99 HA PRO 18 HA PRO 18 1.466 11.536 -0.901 100 2HB PRO 18 2HB PRO 18 0.110 13.441 -0.999 101 2HG PRO 18 2HG PRO 18 -1.920 13.606 0.302 102 2HD PRO 18 2HD PRO 18 -2.111 11.751 -1.165 103 H GLY 19 H GLY 19 2.846 12.516 0.985 104 1HA GLY 19 1HA GLY 19 3.770 12.430 3.085 105 2HA GLY 19 2HA GLY 19 2.429 11.430 3.653 106 H ASN 20 H ASN 20 3.613 9.980 0.896 107 HA ASN 20 HA ASN 20 4.692 8.012 0.531 108 2HB ASN 20 2HB ASN 20 7.162 8.303 0.910 109 1HD2 ASN 20 1HD2 ASN 20 7.827 8.727 -1.158 110 2HD2 ASN 20 2HD2 ASN 20 6.885 9.758 -2.229 111 HA PRO 21 HA PRO 21 4.705 5.986 4.714 112 2HB PRO 21 2HB PRO 21 2.463 6.221 5.243 113 2HG PRO 21 2HG PRO 21 0.849 6.615 3.580 114 2HD PRO 21 2HD PRO 21 2.396 8.228 3.098 115 HA PRO 22 HA PRO 22 6.176 2.574 2.326 116 2HB PRO 22 2HB PRO 22 7.388 2.218 4.305 117 2HG PRO 22 2HG PRO 22 6.270 1.998 6.440 118 2HD PRO 22 2HD PRO 22 5.817 4.154 5.583 119 H CYS 23 H CYS 23 5.899 0.289 1.665 120 HA CYS 23 HA CYS 23 3.126 -0.701 1.636 121 2HB CYS 23 2HB CYS 23 3.963 -2.556 0.386 122 H ARG 24 H ARG 24 2.530 -2.622 2.809 123 HA ARG 24 HA ARG 24 4.563 -3.949 4.475 124 2HB ARG 24 2HB ARG 24 1.854 -3.054 5.560 125 2HG ARG 24 2HG ARG 24 4.257 -4.448 6.836 126 2HD ARG 24 2HD ARG 24 1.631 -3.532 8.077 127 HE ARG 24 HE ARG 24 3.421 -5.548 8.929 128 1HH1 ARG 24 1HH1 ARG 24 1.936 -2.629 10.220 129 2HH1 ARG 24 2HH1 ARG 24 1.977 -3.132 11.882 130 1HH2 ARG 24 1HH2 ARG 24 3.500 -6.270 11.128 131 2HH2 ARG 24 2HH2 ARG 24 2.891 -5.269 12.402 132 H ASN 25 H ASN 25 4.348 -6.115 4.202 133 HA ASN 25 HA ASN 25 3.719 -8.044 3.223 134 2HB ASN 25 2HB ASN 25 0.934 -7.240 4.166 135 1HD2 ASN 25 1HD2 ASN 25 -0.577 -8.954 4.219 136 2HD2 ASN 25 2HD2 ASN 25 -0.181 -10.570 3.661 137 H GLY 26 H GLY 26 3.822 -5.787 1.427 138 1HA GLY 26 1HA GLY 26 3.517 -5.520 -0.812 139 2HA GLY 26 2HA GLY 26 2.501 -6.958 -0.863 140 H PHE 27 H PHE 27 1.476 -4.501 1.442 141 HA PHE 27 HA PHE 27 -0.442 -3.365 -0.519 142 2HB PHE 27 2HB PHE 27 -2.176 -3.476 1.207 143 HD1 PHE 27 HD1 PHE 27 -0.729 -6.587 2.370 144 HD2 PHE 27 HD2 PHE 27 -2.756 -4.764 -0.957 145 HE1 PHE 27 HE1 PHE 27 -1.367 -8.824 1.530 146 HE2 PHE 27 HE2 PHE 27 -3.503 -6.991 -1.731 147 HZ PHE 27 HZ PHE 27 -2.790 -9.038 -0.500 148 H CYS 28 H CYS 28 -1.032 -1.165 -0.149 149 HA CYS 28 HA CYS 28 1.171 0.315 0.998 150 2HB CYS 28 2HB CYS 28 -1.480 1.309 -0.107 151 H ALA 29 H ALA 29 1.423 1.143 3.055 152 HA ALA 29 HA ALA 29 -0.753 0.901 4.987 153 1HB ALA 29 1HB ALA 29 0.870 1.836 6.547 154 2HB ALA 29 2HB ALA 29 1.604 0.527 5.597 155 3HB ALA 29 3HB ALA 29 1.975 2.221 5.211 156 H CYS 30 H CYS 30 -2.008 2.302 3.185 157 HA CYS 30 HA CYS 30 -2.464 4.837 4.590 158 2HB CYS 30 2HB CYS 30 -1.935 4.952 1.598 159 H THR 31 H THR 31 -4.241 3.590 5.228 160 HA THR 31 HA THR 31 -6.515 3.611 3.299 161 HB THR 31 HB THR 31 -5.735 1.323 3.378 162 HG1 THR 31 HG1 THR 31 -8.012 1.764 4.994 163 1HG2 THR 31 1HG2 THR 31 -5.705 0.008 5.464 164 2HG2 THR 31 2HG2 THR 31 -4.461 1.263 5.472 165 3HG2 THR 31 3HG2 THR 31 -5.953 1.478 6.419 Start of MODEL 7 1 1H THR 1 1H THR 1 -12.464 -6.717 6.197 2 HA THR 1 HA THR 1 -13.158 -8.842 4.369 3 HB THR 1 HB THR 1 -13.769 -7.208 2.557 4 HG1 THR 1 HG1 THR 1 -14.388 -5.083 3.357 5 1HG2 THR 1 1HG2 THR 1 -15.564 -6.964 5.014 6 2HG2 THR 1 2HG2 THR 1 -16.043 -6.733 3.321 7 3HG2 THR 1 3HG2 THR 1 -15.551 -8.339 3.888 8 HA PRO 2 HA PRO 2 -8.872 -7.977 3.537 9 2HB PRO 2 2HB PRO 2 -8.928 -10.091 2.563 10 2HG PRO 2 2HG PRO 2 -10.605 -10.694 0.936 11 2HD PRO 2 2HD PRO 2 -11.689 -10.136 2.972 12 H PHE 3 H PHE 3 -10.140 -5.628 3.348 13 HA PHE 3 HA PHE 3 -9.904 -4.426 0.682 14 2HB PHE 3 2HB PHE 3 -10.461 -3.112 3.363 15 HD1 PHE 3 HD1 PHE 3 -12.013 -2.951 -0.052 16 HD2 PHE 3 HD2 PHE 3 -9.692 -0.861 2.925 17 HE1 PHE 3 HE1 PHE 3 -12.144 -0.876 -1.401 18 HE2 PHE 3 HE2 PHE 3 -9.836 1.211 1.578 19 HZ PHE 3 HZ PHE 3 -11.055 1.209 -0.592 20 H ALA 4 H ALA 4 -7.621 -5.247 0.640 21 HA ALA 4 HA ALA 4 -5.690 -3.342 1.939 22 1HB ALA 4 1HB ALA 4 -5.259 -6.251 1.180 23 2HB ALA 4 2HB ALA 4 -4.151 -5.169 2.062 24 3HB ALA 4 3HB ALA 4 -5.672 -5.664 2.807 25 H ILE 5 H ILE 5 -5.118 -1.879 0.422 26 HA ILE 5 HA ILE 5 -5.101 -2.514 -2.421 27 HB ILE 5 HB ILE 5 -4.202 -0.006 -0.945 28 2HG1 ILE 5 2HG1 ILE 5 -6.574 -0.529 -0.496 29 1HG2 ILE 5 1HG2 ILE 5 -3.265 -0.221 -3.247 30 2HG2 ILE 5 2HG2 ILE 5 -4.903 -0.471 -3.883 31 3HG2 ILE 5 3HG2 ILE 5 -4.439 1.079 -3.155 32 1HD1 ILE 5 1HD1 ILE 5 -5.926 1.863 -0.963 33 2HD1 ILE 5 2HD1 ILE 5 -6.555 1.624 -2.618 34 3HD1 ILE 5 3HD1 ILE 5 -7.631 1.446 -1.229 35 H LYS 6 H LYS 6 -3.385 -3.316 -3.511 36 HA LYS 6 HA LYS 6 -1.102 -4.281 -2.168 37 2HB LYS 6 2HB LYS 6 -0.292 -4.836 -4.464 38 2HG LYS 6 2HG LYS 6 -3.220 -5.497 -3.897 39 2HD LYS 6 2HD LYS 6 -1.077 -6.910 -5.550 40 2HE LYS 6 2HE LYS 6 -4.018 -7.602 -5.029 41 1HZ LYS 6 1HZ LYS 6 -3.281 -8.240 -7.226 42 2HZ LYS 6 2HZ LYS 6 -1.989 -9.052 -6.604 43 3HZ LYS 6 3HZ LYS 6 -3.517 -9.567 -6.285 44 H CYS 7 H CYS 7 1.132 -3.843 -2.433 45 HA CYS 7 HA CYS 7 2.088 -1.308 -3.588 46 2HB CYS 7 2HB CYS 7 2.071 -1.892 -0.594 47 H ALA 8 H ALA 8 4.073 -1.938 -4.486 48 HA ALA 8 HA ALA 8 5.576 -4.175 -3.170 49 1HB ALA 8 1HB ALA 8 5.058 -4.506 -5.546 50 2HB ALA 8 2HB ALA 8 5.818 -2.952 -5.948 51 3HB ALA 8 3HB ALA 8 6.800 -4.273 -5.286 52 H THR 9 H THR 9 5.661 -0.814 -4.299 53 HA THR 9 HA THR 9 8.374 -0.406 -3.107 54 HB THR 9 HB THR 9 8.571 1.314 -4.899 55 HG1 THR 9 HG1 THR 9 6.076 0.198 -5.772 56 1HG2 THR 9 1HG2 THR 9 8.875 -0.206 -6.774 57 2HG2 THR 9 2HG2 THR 9 9.435 -0.982 -5.279 58 3HG2 THR 9 3HG2 THR 9 7.875 -1.448 -5.998 59 H ASP 10 H ASP 10 8.865 1.600 -2.273 60 HA ASP 10 HA ASP 10 7.247 3.405 -0.879 61 2HB ASP 10 2HB ASP 10 9.616 3.624 -0.812 62 H ALA 11 H ALA 11 8.302 3.756 -4.317 63 HA ALA 11 HA ALA 11 6.698 5.686 -5.194 64 1HB ALA 11 1HB ALA 11 8.367 4.540 -6.565 65 2HB ALA 11 2HB ALA 11 7.279 3.153 -6.771 66 3HB ALA 11 3HB ALA 11 6.833 4.734 -7.438 67 H ASP 12 H ASP 12 5.474 2.247 -5.149 68 HA ASP 12 HA ASP 12 2.953 2.731 -6.273 69 2HB ASP 12 2HB ASP 12 2.091 0.870 -4.823 70 H CYS 13 H CYS 13 3.771 2.778 -2.794 71 HA CYS 13 HA CYS 13 1.269 3.822 -1.875 72 2HB CYS 13 2HB CYS 13 2.978 4.966 -0.134 73 H SER 14 H SER 14 4.324 5.488 -2.600 74 HA SER 14 HA SER 14 3.239 8.142 -2.259 75 2HB SER 14 2HB SER 14 5.916 7.512 -3.536 76 HG SER 14 HG SER 14 6.472 9.232 -2.096 77 H ARG 15 H ARG 15 1.602 7.216 -3.960 78 HA ARG 15 HA ARG 15 1.654 8.722 -6.349 79 2HB ARG 15 2HB ARG 15 2.114 5.713 -6.747 80 2HG ARG 15 2HG ARG 15 2.487 6.740 -9.166 81 2HD ARG 15 2HD ARG 15 -0.233 5.985 -8.001 82 HE ARG 15 HE ARG 15 0.083 5.936 -10.869 83 1HH1 ARG 15 1HH1 ARG 15 -1.010 8.008 -8.164 84 2HH1 ARG 15 2HH1 ARG 15 -2.001 9.007 -9.168 85 1HH2 ARG 15 1HH2 ARG 15 -1.255 7.270 -12.181 86 2HH2 ARG 15 2HH2 ARG 15 -2.160 8.574 -11.487 87 H LYS 16 H LYS 16 0.506 5.738 -4.685 88 HA LYS 16 HA LYS 16 -2.236 6.127 -5.580 89 2HB LYS 16 2HB LYS 16 -1.133 4.308 -3.390 90 2HG LYS 16 2HG LYS 16 -3.049 2.859 -4.408 91 2HD LYS 16 2HD LYS 16 -3.230 4.923 -2.294 92 2HE LYS 16 2HE LYS 16 -5.623 4.578 -1.899 93 1HZ LYS 16 1HZ LYS 16 -4.830 6.491 -3.310 94 2HZ LYS 16 2HZ LYS 16 -5.394 5.686 -4.607 95 3HZ LYS 16 3HZ LYS 16 -6.440 6.121 -3.416 96 H CYS 17 H CYS 17 -0.335 6.922 -2.647 97 HA CYS 17 HA CYS 17 -2.567 8.522 -1.560 98 2HB CYS 17 2HB CYS 17 -1.272 6.097 -0.289 99 HA PRO 18 HA PRO 18 1.030 11.049 -1.218 100 2HB PRO 18 2HB PRO 18 -0.451 12.804 -1.566 101 2HG PRO 18 2HG PRO 18 -2.564 12.910 -0.407 102 2HD PRO 18 2HD PRO 18 -2.478 10.873 -1.634 103 H GLY 19 H GLY 19 2.388 12.256 0.408 104 1HA GLY 19 1HA GLY 19 3.362 12.550 2.479 105 2HA GLY 19 2HA GLY 19 2.173 11.481 3.229 106 H ASN 20 H ASN 20 3.631 10.137 0.425 107 HA ASN 20 HA ASN 20 4.834 8.263 0.141 108 2HB ASN 20 2HB ASN 20 6.937 9.619 1.866 109 1HD2 ASN 20 1HD2 ASN 20 7.463 7.073 1.706 110 2HD2 ASN 20 2HD2 ASN 20 8.440 6.625 0.306 111 HA PRO 21 HA PRO 21 4.146 6.374 4.367 112 2HB PRO 21 2HB PRO 21 1.848 6.486 4.393 113 2HG PRO 21 2HG PRO 21 0.608 6.712 2.364 114 2HD PRO 21 2HD PRO 21 2.198 8.353 2.191 115 HA PRO 22 HA PRO 22 6.204 2.791 2.674 116 2HB PRO 22 2HB PRO 22 7.104 2.715 4.841 117 2HG PRO 22 2HG PRO 22 5.682 2.765 6.793 118 2HD PRO 22 2HD PRO 22 5.315 4.769 5.597 119 H CYS 23 H CYS 23 5.975 0.566 1.983 120 HA CYS 23 HA CYS 23 3.257 -0.540 1.842 121 2HB CYS 23 2HB CYS 23 4.243 -2.465 0.830 122 H ARG 24 H ARG 24 2.578 -2.324 3.092 123 HA ARG 24 HA ARG 24 4.350 -3.391 5.207 124 2HB ARG 24 2HB ARG 24 1.477 -2.435 5.652 125 2HG ARG 24 2HG ARG 24 2.360 -2.531 8.087 126 2HD ARG 24 2HD ARG 24 1.760 -5.189 6.693 127 HE ARG 24 HE ARG 24 0.930 -4.744 9.434 128 1HH1 ARG 24 1HH1 ARG 24 3.617 -5.897 7.482 129 2HH1 ARG 24 2HH1 ARG 24 4.246 -6.996 8.674 130 1HH2 ARG 24 1HH2 ARG 24 1.741 -6.165 11.074 131 2HH2 ARG 24 2HH2 ARG 24 3.151 -7.125 10.780 132 H ASN 25 H ASN 25 4.422 -5.524 4.794 133 HA ASN 25 HA ASN 25 3.946 -7.580 4.002 134 2HB ASN 25 2HB ASN 25 1.088 -6.954 4.853 135 1HD2 ASN 25 1HD2 ASN 25 -0.297 -8.739 4.751 136 2HD2 ASN 25 2HD2 ASN 25 0.261 -10.369 4.416 137 H GLY 26 H GLY 26 3.933 -5.487 2.039 138 1HA GLY 26 1HA GLY 26 3.685 -5.485 -0.226 139 2HA GLY 26 2HA GLY 26 2.689 -6.934 -0.146 140 H PHE 27 H PHE 27 1.522 -4.357 1.917 141 HA PHE 27 HA PHE 27 -0.329 -3.375 -0.198 142 2HB PHE 27 2HB PHE 27 -2.119 -3.404 1.467 143 HD1 PHE 27 HD1 PHE 27 -0.541 -6.393 2.840 144 HD2 PHE 27 HD2 PHE 27 -2.702 -4.860 -0.548 145 HE1 PHE 27 HE1 PHE 27 -1.097 -8.704 2.145 146 HE2 PHE 27 HE2 PHE 27 -3.390 -7.156 -1.159 147 HZ PHE 27 HZ PHE 27 -2.564 -9.095 0.173 148 H CYS 28 H CYS 28 -0.945 -1.135 0.023 149 HA CYS 28 HA CYS 28 1.232 0.374 1.180 150 2HB CYS 28 2HB CYS 28 -1.388 1.430 0.058 151 H ALA 29 H ALA 29 1.434 1.223 3.242 152 HA ALA 29 HA ALA 29 -0.479 0.613 5.232 153 1HB ALA 29 1HB ALA 29 1.689 2.749 5.236 154 2HB ALA 29 2HB ALA 29 0.856 2.103 6.666 155 3HB ALA 29 3HB ALA 29 1.894 1.044 5.694 156 H CYS 30 H CYS 30 0.061 3.597 3.395 157 HA CYS 30 HA CYS 30 -0.918 5.686 3.542 158 2HB CYS 30 2HB CYS 30 -3.318 3.955 2.955 159 H THR 31 H THR 31 -0.433 5.564 6.005 160 HA THR 31 HA THR 31 -2.614 6.852 7.308 161 HB THR 31 HB THR 31 -3.327 4.460 7.642 162 HG1 THR 31 HG1 THR 31 -3.924 5.829 9.223 163 1HG2 THR 31 1HG2 THR 31 -0.772 4.164 9.285 164 2HG2 THR 31 2HG2 THR 31 -2.068 2.977 9.072 165 3HG2 THR 31 3HG2 THR 31 -1.043 3.416 7.697 Start of MODEL 8 1 1H THR 1 1H THR 1 -4.632 -9.026 8.764 2 HA THR 1 HA THR 1 -6.697 -10.069 7.041 3 HB THR 1 HB THR 1 -7.457 -7.665 7.255 4 HG1 THR 1 HG1 THR 1 -5.371 -6.816 7.523 5 1HG2 THR 1 1HG2 THR 1 -6.765 -9.058 9.888 6 2HG2 THR 1 2HG2 THR 1 -7.987 -7.796 9.649 7 3HG2 THR 1 3HG2 THR 1 -8.199 -9.385 8.890 8 HA PRO 2 HA PRO 2 -3.649 -8.594 3.819 9 2HB PRO 2 2HB PRO 2 -2.793 -10.762 3.719 10 2HG PRO 2 2HG PRO 2 -4.221 -12.701 3.893 11 2HD PRO 2 2HD PRO 2 -4.436 -11.440 5.897 12 H PHE 3 H PHE 3 -5.992 -7.373 3.972 13 HA PHE 3 HA PHE 3 -7.387 -7.630 1.340 14 2HB PHE 3 2HB PHE 3 -9.519 -7.555 2.494 15 HD1 PHE 3 HD1 PHE 3 -8.392 -9.788 1.143 16 HD2 PHE 3 HD2 PHE 3 -8.997 -9.297 5.388 17 HE1 PHE 3 HE1 PHE 3 -8.421 -12.244 1.426 18 HE2 PHE 3 HE2 PHE 3 -9.031 -11.758 5.660 19 HZ PHE 3 HZ PHE 3 -8.731 -13.236 3.684 20 H ALA 4 H ALA 4 -5.881 -5.754 1.004 21 HA ALA 4 HA ALA 4 -7.309 -3.275 1.487 22 1HB ALA 4 1HB ALA 4 -4.479 -3.652 2.585 23 2HB ALA 4 2HB ALA 4 -5.373 -2.119 2.531 24 3HB ALA 4 3HB ALA 4 -5.944 -3.439 3.561 25 H ILE 5 H ILE 5 -5.708 -1.481 0.483 26 HA ILE 5 HA ILE 5 -5.380 -2.043 -2.281 27 HB ILE 5 HB ILE 5 -4.225 0.113 -0.469 28 2HG1 ILE 5 2HG1 ILE 5 -6.774 -0.062 -0.719 29 1HG2 ILE 5 1HG2 ILE 5 -4.314 0.020 -3.520 30 2HG2 ILE 5 2HG2 ILE 5 -3.810 1.416 -2.540 31 3HG2 ILE 5 3HG2 ILE 5 -2.856 -0.045 -2.513 32 1HD1 ILE 5 1HD1 ILE 5 -5.685 2.041 -0.050 33 2HD1 ILE 5 2HD1 ILE 5 -5.553 2.525 -1.753 34 3HD1 ILE 5 3HD1 ILE 5 -7.145 2.288 -1.021 35 H LYS 6 H LYS 6 -3.643 -2.904 -3.408 36 HA LYS 6 HA LYS 6 -1.564 -4.229 -1.890 37 2HB LYS 6 2HB LYS 6 -0.792 -4.681 -4.403 38 2HG LYS 6 2HG LYS 6 -1.538 -6.423 -2.911 39 2HD LYS 6 2HD LYS 6 -4.375 -5.544 -3.674 40 2HE LYS 6 2HE LYS 6 -5.082 -7.407 -2.161 41 1HZ LYS 6 1HZ LYS 6 -4.993 -7.866 -4.523 42 2HZ LYS 6 2HZ LYS 6 -3.446 -8.416 -4.392 43 3HZ LYS 6 3HZ LYS 6 -4.668 -9.211 -3.638 44 H CYS 7 H CYS 7 0.747 -4.051 -2.438 45 HA CYS 7 HA CYS 7 1.782 -1.558 -3.600 46 2HB CYS 7 2HB CYS 7 2.082 -2.221 -0.635 47 H ALA 8 H ALA 8 3.672 -2.140 -4.633 48 HA ALA 8 HA ALA 8 5.033 -4.675 -3.847 49 1HB ALA 8 1HB ALA 8 5.275 -2.980 -6.370 50 2HB ALA 8 2HB ALA 8 6.109 -4.507 -6.027 51 3HB ALA 8 3HB ALA 8 4.343 -4.484 -6.210 52 H THR 9 H THR 9 5.576 -1.184 -4.650 53 HA THR 9 HA THR 9 7.764 -1.174 -2.614 54 HB THR 9 HB THR 9 9.019 0.432 -4.060 55 HG1 THR 9 HG1 THR 9 8.499 0.385 -6.292 56 1HG2 THR 9 1HG2 THR 9 9.659 -1.978 -3.898 57 2HG2 THR 9 2HG2 THR 9 8.641 -2.328 -5.313 58 3HG2 THR 9 3HG2 THR 9 10.056 -1.270 -5.477 59 H ASP 10 H ASP 10 8.149 0.869 -1.698 60 HA ASP 10 HA ASP 10 6.149 2.388 -0.615 61 2HB ASP 10 2HB ASP 10 8.377 2.659 0.136 62 H ALA 11 H ALA 11 7.992 3.426 -3.501 63 HA ALA 11 HA ALA 11 6.757 5.359 -4.690 64 1HB ALA 11 1HB ALA 11 7.235 2.719 -6.122 65 2HB ALA 11 2HB ALA 11 7.129 4.318 -6.883 66 3HB ALA 11 3HB ALA 11 8.462 3.956 -5.766 67 H ASP 12 H ASP 12 5.129 2.099 -4.834 68 HA ASP 12 HA ASP 12 2.965 2.904 -6.503 69 2HB ASP 12 2HB ASP 12 1.785 0.945 -5.566 70 H CYS 13 H CYS 13 3.164 2.473 -3.016 71 HA CYS 13 HA CYS 13 0.515 3.347 -2.419 72 2HB CYS 13 2HB CYS 13 2.980 3.084 -0.650 73 H SER 14 H SER 14 3.693 4.911 -2.101 74 HA SER 14 HA SER 14 2.951 7.447 -1.182 75 2HB SER 14 2HB SER 14 5.154 6.806 -3.194 76 HG SER 14 HG SER 14 4.839 9.042 -2.715 77 H ARG 15 H ARG 15 3.157 6.255 -4.588 78 HA ARG 15 HA ARG 15 2.493 8.767 -5.746 79 2HB ARG 15 2HB ARG 15 2.204 5.950 -6.900 80 2HG ARG 15 2HG ARG 15 2.841 7.453 -9.001 81 2HD ARG 15 2HD ARG 15 -0.008 7.074 -7.959 82 HE ARG 15 HE ARG 15 0.390 7.591 -10.777 83 1HH1 ARG 15 1HH1 ARG 15 -0.306 9.208 -7.666 84 2HH1 ARG 15 2HH1 ARG 15 -1.096 10.559 -8.399 85 1HH2 ARG 15 1HH2 ARG 15 -0.649 9.406 -11.737 86 2HH2 ARG 15 2HH2 ARG 15 -1.287 10.679 -10.752 87 H LYS 16 H LYS 16 0.492 6.000 -4.678 88 HA LYS 16 HA LYS 16 -1.944 7.146 -5.759 89 2HB LYS 16 2HB LYS 16 -1.639 4.991 -3.635 90 2HG LYS 16 2HG LYS 16 -3.823 5.695 -5.659 91 2HD LYS 16 2HD LYS 16 -3.639 3.414 -3.655 92 2HE LYS 16 2HE LYS 16 -5.807 4.215 -5.674 93 1HZ LYS 16 1HZ LYS 16 -5.742 1.904 -3.851 94 2HZ LYS 16 2HZ LYS 16 -7.008 2.356 -4.797 95 3HZ LYS 16 3HZ LYS 16 -5.612 1.835 -5.491 96 H CYS 17 H CYS 17 -0.367 7.175 -2.559 97 HA CYS 17 HA CYS 17 -2.403 9.065 -1.487 98 2HB CYS 17 2HB CYS 17 -1.463 6.410 -0.394 99 HA PRO 18 HA PRO 18 1.613 10.872 -1.087 100 2HB PRO 18 2HB PRO 18 0.546 12.823 -1.744 101 2HG PRO 18 2HG PRO 18 -1.588 13.460 -0.817 102 2HD PRO 18 2HD PRO 18 -1.793 11.312 -1.834 103 H GLY 19 H GLY 19 3.001 12.129 0.529 104 1HA GLY 19 1HA GLY 19 3.934 12.410 2.624 105 2HA GLY 19 2HA GLY 19 2.568 11.581 3.380 106 H ASN 20 H ASN 20 4.194 10.116 0.670 107 HA ASN 20 HA ASN 20 4.857 7.989 0.459 108 2HB ASN 20 2HB ASN 20 7.134 9.009 2.174 109 1HD2 ASN 20 1HD2 ASN 20 9.274 8.305 0.963 110 2HD2 ASN 20 2HD2 ASN 20 9.283 6.643 0.390 111 HA PRO 21 HA PRO 21 3.605 5.819 4.358 112 2HB PRO 21 2HB PRO 21 1.340 6.100 4.162 113 2HG PRO 21 2HG PRO 21 0.373 6.901 2.120 114 2HD PRO 21 2HD PRO 21 2.111 8.385 2.698 115 HA PRO 22 HA PRO 22 5.875 2.918 1.713 116 2HB PRO 22 2HB PRO 22 7.363 2.906 3.519 117 2HG PRO 22 2HG PRO 22 6.583 2.692 5.794 118 2HD PRO 22 2HD PRO 22 5.634 4.664 4.882 119 H CYS 23 H CYS 23 6.007 0.357 1.544 120 HA CYS 23 HA CYS 23 3.299 -0.767 1.533 121 2HB CYS 23 2HB CYS 23 4.276 -2.814 0.824 122 H ARG 24 H ARG 24 2.432 -1.594 3.347 123 HA ARG 24 HA ARG 24 4.019 -3.041 5.387 124 2HB ARG 24 2HB ARG 24 1.045 -3.058 4.722 125 2HG ARG 24 2HG ARG 24 2.611 -4.243 7.062 126 2HD ARG 24 2HD ARG 24 -0.376 -4.086 6.452 127 HE ARG 24 HE ARG 24 -0.465 -6.073 7.511 128 1HH1 ARG 24 1HH1 ARG 24 1.918 -4.095 9.177 129 2HH1 ARG 24 2HH1 ARG 24 2.167 -5.193 10.500 130 1HH2 ARG 24 1HH2 ARG 24 -0.166 -7.581 9.237 131 2HH2 ARG 24 2HH2 ARG 24 0.945 -7.236 10.519 132 H ASN 25 H ASN 25 5.308 -3.849 3.610 133 HA ASN 25 HA ASN 25 5.712 -5.157 1.677 134 2HB ASN 25 2HB ASN 25 6.212 -7.435 2.602 135 1HD2 ASN 25 1HD2 ASN 25 6.477 -5.136 5.338 136 2HD2 ASN 25 2HD2 ASN 25 8.174 -4.789 5.052 137 H GLY 26 H GLY 26 3.892 -4.967 0.253 138 1HA GLY 26 1HA GLY 26 2.691 -6.573 -1.147 139 2HA GLY 26 2HA GLY 26 2.001 -7.301 0.306 140 H PHE 27 H PHE 27 1.632 -4.684 1.682 141 HA PHE 27 HA PHE 27 -0.747 -3.718 0.160 142 2HB PHE 27 2HB PHE 27 -1.856 -3.573 2.369 143 HD1 PHE 27 HD1 PHE 27 0.047 -6.730 2.756 144 HD2 PHE 27 HD2 PHE 27 -3.295 -4.843 0.803 145 HE1 PHE 27 HE1 PHE 27 -0.777 -8.948 2.014 146 HE2 PHE 27 HE2 PHE 27 -4.206 -7.076 0.205 147 HZ PHE 27 HZ PHE 27 -2.885 -9.116 0.698 148 H CYS 28 H CYS 28 -1.259 -1.567 0.273 149 HA CYS 28 HA CYS 28 0.940 0.267 0.790 150 2HB CYS 28 2HB CYS 28 -1.905 0.512 -0.228 151 H ALA 29 H ALA 29 1.392 1.147 2.795 152 HA ALA 29 HA ALA 29 -0.624 0.957 4.913 153 1HB ALA 29 1HB ALA 29 2.166 2.158 4.962 154 2HB ALA 29 2HB ALA 29 1.165 1.710 6.358 155 3HB ALA 29 3HB ALA 29 1.782 0.450 5.269 156 H CYS 30 H CYS 30 -1.699 2.615 2.959 157 HA CYS 30 HA CYS 30 -1.200 5.447 3.481 158 2HB CYS 30 2HB CYS 30 -3.520 4.016 2.165 159 H THR 31 H THR 31 -1.240 5.368 5.822 160 HA THR 31 HA THR 31 -3.157 4.356 7.426 161 HB THR 31 HB THR 31 -1.871 7.026 8.084 162 HG1 THR 31 HG1 THR 31 -0.577 4.559 7.570 163 1HG2 THR 31 1HG2 THR 31 -3.148 5.831 9.864 164 2HG2 THR 31 2HG2 THR 31 -2.122 4.397 9.630 165 3HG2 THR 31 3HG2 THR 31 -1.415 5.911 10.230 Start of MODEL 9 1 1H THR 1 1H THR 1 -8.881 -3.899 8.812 2 HA THR 1 HA THR 1 -11.655 -4.300 9.148 3 HB THR 1 HB THR 1 -12.335 -2.705 7.248 4 HG1 THR 1 HG1 THR 1 -9.754 -1.719 7.822 5 1HG2 THR 1 1HG2 THR 1 -12.466 -0.712 8.671 6 2HG2 THR 1 2HG2 THR 1 -12.847 -2.168 9.611 7 3HG2 THR 1 3HG2 THR 1 -11.258 -1.389 9.783 8 HA PRO 2 HA PRO 2 -10.374 -6.986 5.765 9 2HB PRO 2 2HB PRO 2 -12.324 -8.170 6.227 10 2HG PRO 2 2HG PRO 2 -14.440 -7.060 6.522 11 2HD PRO 2 2HD PRO 2 -12.939 -6.202 8.151 12 H PHE 3 H PHE 3 -9.386 -4.741 5.103 13 HA PHE 3 HA PHE 3 -10.029 -4.256 2.281 14 2HB PHE 3 2HB PHE 3 -10.293 -2.119 4.441 15 HD1 PHE 3 HD1 PHE 3 -11.647 -2.315 0.965 16 HD2 PHE 3 HD2 PHE 3 -8.834 -0.379 3.600 17 HE1 PHE 3 HE1 PHE 3 -11.257 -0.558 -0.740 18 HE2 PHE 3 HE2 PHE 3 -8.456 1.383 1.899 19 HZ PHE 3 HZ PHE 3 -9.689 1.310 -0.264 20 H ALA 4 H ALA 4 -8.094 -3.917 1.256 21 HA ALA 4 HA ALA 4 -5.876 -2.548 2.544 22 1HB ALA 4 1HB ALA 4 -5.629 -5.531 1.957 23 2HB ALA 4 2HB ALA 4 -4.316 -4.437 2.456 24 3HB ALA 4 3HB ALA 4 -5.645 -4.785 3.568 25 H ILE 5 H ILE 5 -5.564 -1.204 0.844 26 HA ILE 5 HA ILE 5 -5.815 -1.919 -1.932 27 HB ILE 5 HB ILE 5 -4.459 0.371 -0.461 28 2HG1 ILE 5 2HG1 ILE 5 -7.030 0.065 -0.413 29 1HG2 ILE 5 1HG2 ILE 5 -3.339 0.161 -2.619 30 2HG2 ILE 5 2HG2 ILE 5 -4.898 0.029 -3.462 31 3HG2 ILE 5 3HG2 ILE 5 -4.407 1.543 -2.678 32 1HD1 ILE 5 1HD1 ILE 5 -5.940 2.673 -1.545 33 2HD1 ILE 5 2HD1 ILE 5 -7.481 2.429 -0.711 34 3HD1 ILE 5 3HD1 ILE 5 -5.959 2.193 0.162 35 H LYS 6 H LYS 6 -4.193 -2.573 -3.399 36 HA LYS 6 HA LYS 6 -1.993 -4.042 -2.235 37 2HB LYS 6 2HB LYS 6 -2.045 -3.683 -5.182 38 2HG LYS 6 2HG LYS 6 -0.842 -5.505 -3.821 39 2HD LYS 6 2HD LYS 6 -3.585 -6.834 -3.966 40 2HE LYS 6 2HE LYS 6 -1.439 -8.207 -3.730 41 1HZ LYS 6 1HZ LYS 6 -0.406 -6.715 -2.034 42 2HZ LYS 6 2HZ LYS 6 -1.537 -7.171 -0.961 43 3HZ LYS 6 3HZ LYS 6 -0.496 -8.289 -1.547 44 H CYS 7 H CYS 7 0.322 -3.774 -2.811 45 HA CYS 7 HA CYS 7 1.210 -1.233 -4.010 46 2HB CYS 7 2HB CYS 7 1.612 -1.954 -1.082 47 H ALA 8 H ALA 8 3.322 -1.582 -4.894 48 HA ALA 8 HA ALA 8 4.628 -4.193 -4.190 49 1HB ALA 8 1HB ALA 8 5.708 -4.070 -6.352 50 2HB ALA 8 2HB ALA 8 3.942 -4.046 -6.529 51 3HB ALA 8 3HB ALA 8 4.877 -2.554 -6.736 52 H THR 9 H THR 9 5.365 -0.818 -5.156 53 HA THR 9 HA THR 9 7.804 -0.841 -3.416 54 HB THR 9 HB THR 9 8.533 1.044 -4.823 55 HG1 THR 9 HG1 THR 9 6.095 0.540 -6.221 56 1HG2 THR 9 1HG2 THR 9 7.750 -1.365 -6.528 57 2HG2 THR 9 2HG2 THR 9 9.036 -0.192 -6.863 58 3HG2 THR 9 3HG2 THR 9 9.171 -1.275 -5.463 59 H ASP 10 H ASP 10 8.171 1.100 -2.169 60 HA ASP 10 HA ASP 10 6.162 2.429 -0.755 61 2HB ASP 10 2HB ASP 10 8.436 2.713 -0.107 62 H ALA 11 H ALA 11 7.824 3.697 -3.658 63 HA ALA 11 HA ALA 11 6.166 5.705 -4.410 64 1HB ALA 11 1HB ALA 11 7.150 5.466 -6.634 65 2HB ALA 11 2HB ALA 11 8.359 5.159 -5.375 66 3HB ALA 11 3HB ALA 11 7.634 3.797 -6.257 67 H ASP 12 H ASP 12 4.849 2.554 -4.297 68 HA ASP 12 HA ASP 12 2.747 3.223 -6.307 69 2HB ASP 12 2HB ASP 12 1.791 1.034 -5.724 70 H CYS 13 H CYS 13 3.298 2.855 -2.788 71 HA CYS 13 HA CYS 13 0.474 3.506 -2.289 72 2HB CYS 13 2HB CYS 13 2.714 3.575 -0.236 73 H SER 14 H SER 14 3.641 5.059 -1.934 74 HA SER 14 HA SER 14 2.662 7.778 -1.726 75 2HB SER 14 2HB SER 14 5.429 6.818 -2.554 76 HG SER 14 HG SER 14 4.364 9.203 -1.428 77 H ARG 15 H ARG 15 1.126 7.416 -3.396 78 HA ARG 15 HA ARG 15 1.711 8.762 -5.850 79 2HB ARG 15 2HB ARG 15 0.989 5.807 -6.120 80 2HG ARG 15 2HG ARG 15 1.830 7.788 -8.276 81 2HD ARG 15 2HD ARG 15 1.032 6.016 -9.804 82 HE ARG 15 HE ARG 15 3.368 5.795 -8.430 83 1HH1 ARG 15 1HH1 ARG 15 1.064 3.188 -9.359 84 2HH1 ARG 15 2HH1 ARG 15 2.264 1.984 -8.856 85 1HH2 ARG 15 1HH2 ARG 15 4.726 4.052 -7.936 86 2HH2 ARG 15 2HH2 ARG 15 4.235 2.432 -8.379 87 H LYS 16 H LYS 16 -0.340 6.328 -4.215 88 HA LYS 16 HA LYS 16 -2.817 7.717 -5.038 89 2HB LYS 16 2HB LYS 16 -2.456 5.188 -3.384 90 2HG LYS 16 2HG LYS 16 -4.779 6.347 -5.004 91 2HD LYS 16 2HD LYS 16 -4.531 3.741 -3.446 92 2HE LYS 16 2HE LYS 16 -6.842 4.945 -5.059 93 1HZ LYS 16 1HZ LYS 16 -6.742 2.561 -5.288 94 2HZ LYS 16 2HZ LYS 16 -6.709 2.359 -3.653 95 3HZ LYS 16 3HZ LYS 16 -8.038 3.002 -4.377 96 H CYS 17 H CYS 17 -0.870 6.996 -2.106 97 HA CYS 17 HA CYS 17 -2.641 8.795 -0.505 98 2HB CYS 17 2HB CYS 17 -1.246 6.230 0.258 99 HA PRO 18 HA PRO 18 1.292 10.948 -0.599 100 2HB PRO 18 2HB PRO 18 -0.074 12.791 -1.046 101 2HG PRO 18 2HG PRO 18 -2.081 13.208 0.230 102 2HD PRO 18 2HD PRO 18 -2.313 11.090 -0.809 103 H GLY 19 H GLY 19 2.655 12.326 1.033 104 1HA GLY 19 1HA GLY 19 3.697 12.590 3.077 105 2HA GLY 19 2HA GLY 19 2.475 11.576 3.856 106 H ASN 20 H ASN 20 4.499 10.837 1.063 107 HA ASN 20 HA ASN 20 5.313 8.797 0.508 108 2HB ASN 20 2HB ASN 20 7.420 9.755 2.441 109 1HD2 ASN 20 1HD2 ASN 20 9.655 9.267 1.495 110 2HD2 ASN 20 2HD2 ASN 20 9.824 7.763 0.601 111 HA PRO 21 HA PRO 21 4.331 6.049 4.068 112 2HB PRO 21 2HB PRO 21 2.033 6.345 3.901 113 2HG PRO 21 2HG PRO 21 0.992 6.835 1.773 114 2HD PRO 21 2HD PRO 21 2.577 8.490 2.216 115 HA PRO 22 HA PRO 22 6.282 2.843 1.482 116 2HB PRO 22 2HB PRO 22 7.613 2.517 3.378 117 2HG PRO 22 2HG PRO 22 6.657 2.422 5.588 118 2HD PRO 22 2HD PRO 22 6.114 4.548 4.702 119 H CYS 23 H CYS 23 5.916 0.299 1.264 120 HA CYS 23 HA CYS 23 3.032 -0.344 1.255 121 2HB CYS 23 2HB CYS 23 3.659 -2.515 0.471 122 H ARG 24 H ARG 24 2.121 -1.313 2.991 123 HA ARG 24 HA ARG 24 3.636 -2.711 5.104 124 2HB ARG 24 2HB ARG 24 0.667 -2.668 4.406 125 2HG ARG 24 2HG ARG 24 1.240 -3.348 7.140 126 2HD ARG 24 2HD ARG 24 0.207 -5.023 4.806 127 HE ARG 24 HE ARG 24 0.484 -6.732 6.235 128 1HH1 ARG 24 1HH1 ARG 24 -0.755 -3.999 8.065 129 2HH1 ARG 24 2HH1 ARG 24 -1.104 -4.896 9.511 130 1HH2 ARG 24 1HH2 ARG 24 0.068 -7.976 8.138 131 2HH2 ARG 24 2HH2 ARG 24 -0.601 -7.224 9.548 132 H ASN 25 H ASN 25 4.930 -3.703 3.434 133 HA ASN 25 HA ASN 25 5.520 -5.421 1.981 134 2HB ASN 25 2HB ASN 25 5.278 -7.583 3.175 135 1HD2 ASN 25 1HD2 ASN 25 7.526 -6.551 3.129 136 2HD2 ASN 25 2HD2 ASN 25 8.096 -5.870 4.640 137 H GLY 26 H GLY 26 4.015 -4.769 0.209 138 1HA GLY 26 1HA GLY 26 3.007 -5.955 -1.575 139 2HA GLY 26 2HA GLY 26 2.240 -7.068 -0.460 140 H PHE 27 H PHE 27 1.564 -4.410 1.219 141 HA PHE 27 HA PHE 27 -0.743 -3.509 -0.434 142 2HB PHE 27 2HB PHE 27 -2.090 -3.583 1.635 143 HD1 PHE 27 HD1 PHE 27 -3.447 -4.902 0.082 144 HD2 PHE 27 HD2 PHE 27 -0.071 -6.665 2.100 145 HE1 PHE 27 HE1 PHE 27 -4.489 -7.139 -0.137 146 HE2 PHE 27 HE2 PHE 27 -1.063 -8.916 1.788 147 HZ PHE 27 HZ PHE 27 -3.302 -9.154 0.724 148 H CYS 28 H CYS 28 -1.531 -1.385 0.220 149 HA CYS 28 HA CYS 28 0.546 0.527 0.613 150 2HB CYS 28 2HB CYS 28 -2.068 1.474 1.546 151 H ALA 29 H ALA 29 1.529 1.306 2.587 152 HA ALA 29 HA ALA 29 0.355 0.467 5.166 153 1HB ALA 29 1HB ALA 29 2.472 2.570 4.567 154 2HB ALA 29 2HB ALA 29 2.027 1.922 6.155 155 3HB ALA 29 3HB ALA 29 2.785 0.862 4.953 156 H CYS 30 H CYS 30 0.744 3.426 3.296 157 HA CYS 30 HA CYS 30 -0.229 5.426 3.200 158 2HB CYS 30 2HB CYS 30 -2.743 3.826 3.682 159 H THR 31 H THR 31 -2.093 4.019 5.940 160 HA THR 31 HA THR 31 -2.437 6.613 7.134 161 HB THR 31 HB THR 31 -4.041 4.841 7.514 162 HG1 THR 31 HG1 THR 31 -2.647 5.671 9.825 163 1HG2 THR 31 1HG2 THR 31 -1.858 3.379 9.073 164 2HG2 THR 31 2HG2 THR 31 -3.582 2.975 9.066 165 3HG2 THR 31 3HG2 THR 31 -2.643 2.822 7.580 Start of MODEL 10 1 1H THR 1 1H THR 1 -8.979 -3.983 8.131 2 HA THR 1 HA THR 1 -11.797 -4.045 8.260 3 HB THR 1 HB THR 1 -12.122 -1.786 7.064 4 HG1 THR 1 HG1 THR 1 -9.486 -1.464 8.032 5 1HG2 THR 1 1HG2 THR 1 -12.083 -0.450 9.124 6 2HG2 THR 1 2HG2 THR 1 -12.726 -2.071 9.450 7 3HG2 THR 1 3HG2 THR 1 -11.064 -1.663 9.926 8 HA PRO 2 HA PRO 2 -10.689 -5.510 4.158 9 2HB PRO 2 2HB PRO 2 -12.799 -6.488 4.167 10 2HG PRO 2 2HG PRO 2 -14.763 -5.257 4.817 11 2HD PRO 2 2HD PRO 2 -13.253 -5.249 6.651 12 H PHE 3 H PHE 3 -9.414 -3.333 4.365 13 HA PHE 3 HA PHE 3 -10.049 -1.614 1.997 14 2HB PHE 3 2HB PHE 3 -8.864 -0.609 4.612 15 HD1 PHE 3 HD1 PHE 3 -7.601 1.291 3.836 16 HD2 PHE 3 HD2 PHE 3 -11.539 0.553 2.241 17 HE1 PHE 3 HE1 PHE 3 -7.639 3.572 2.857 18 HE2 PHE 3 HE2 PHE 3 -11.550 2.814 1.223 19 HZ PHE 3 HZ PHE 3 -9.616 4.341 1.558 20 H ALA 4 H ALA 4 -8.560 -3.884 1.860 21 HA ALA 4 HA ALA 4 -5.781 -3.493 2.541 22 1HB ALA 4 1HB ALA 4 -6.920 -5.678 2.629 23 2HB ALA 4 2HB ALA 4 -7.126 -5.649 0.864 24 3HB ALA 4 3HB ALA 4 -5.499 -5.713 1.576 25 H ILE 5 H ILE 5 -5.857 -1.347 1.253 26 HA ILE 5 HA ILE 5 -5.606 -1.340 -1.587 27 HB ILE 5 HB ILE 5 -4.358 0.477 0.513 28 2HG1 ILE 5 2HG1 ILE 5 -6.888 0.378 0.390 29 1HG2 ILE 5 1HG2 ILE 5 -4.568 0.833 -2.515 30 2HG2 ILE 5 2HG2 ILE 5 -4.000 2.079 -1.376 31 3HG2 ILE 5 3HG2 ILE 5 -3.069 0.621 -1.602 32 1HD1 ILE 5 1HD1 ILE 5 -7.311 2.740 0.226 33 2HD1 ILE 5 2HD1 ILE 5 -5.805 2.457 1.123 34 3HD1 ILE 5 3HD1 ILE 5 -5.762 3.048 -0.552 35 H LYS 6 H LYS 6 -4.235 -2.682 -2.682 36 HA LYS 6 HA LYS 6 -1.832 -3.731 -1.617 37 2HB LYS 6 2HB LYS 6 -1.223 -3.945 -4.151 38 2HG LYS 6 2HG LYS 6 -3.728 -5.432 -3.471 39 2HD LYS 6 2HD LYS 6 -1.951 -5.763 -5.467 40 2HE LYS 6 2HE LYS 6 -0.309 -7.472 -5.023 41 1HZ LYS 6 1HZ LYS 6 0.548 -5.248 -4.201 42 2HZ LYS 6 2HZ LYS 6 0.059 -5.665 -2.701 43 3HZ LYS 6 3HZ LYS 6 1.184 -6.541 -3.458 44 H CYS 7 H CYS 7 0.265 -3.341 -2.064 45 HA CYS 7 HA CYS 7 1.137 -0.760 -3.263 46 2HB CYS 7 2HB CYS 7 2.131 -2.300 -0.835 47 H ALA 8 H ALA 8 3.192 -1.084 -4.438 48 HA ALA 8 HA ALA 8 3.963 -3.877 -5.014 49 1HB ALA 8 1HB ALA 8 3.354 -1.805 -7.150 50 2HB ALA 8 2HB ALA 8 4.367 -3.243 -7.416 51 3HB ALA 8 3HB ALA 8 2.661 -3.417 -6.957 52 H THR 9 H THR 9 5.102 -0.652 -6.298 53 HA THR 9 HA THR 9 7.608 -1.058 -4.723 54 HB THR 9 HB THR 9 8.337 1.029 -5.735 55 HG1 THR 9 HG1 THR 9 5.883 0.958 -7.161 56 1HG2 THR 9 1HG2 THR 9 7.183 -0.882 -7.822 57 2HG2 THR 9 2HG2 THR 9 8.507 0.276 -8.058 58 3HG2 THR 9 3HG2 THR 9 8.723 -1.100 -6.958 59 H ASP 10 H ASP 10 8.294 0.760 -3.310 60 HA ASP 10 HA ASP 10 6.413 1.640 -1.327 61 2HB ASP 10 2HB ASP 10 8.828 1.389 -0.881 62 H ALA 11 H ALA 11 8.035 3.025 -4.171 63 HA ALA 11 HA ALA 11 6.853 5.519 -4.329 64 1HB ALA 11 1HB ALA 11 7.214 5.478 -6.725 65 2HB ALA 11 2HB ALA 11 8.586 4.751 -5.867 66 3HB ALA 11 3HB ALA 11 7.418 3.720 -6.710 67 H ASP 12 H ASP 12 5.362 2.465 -5.639 68 HA ASP 12 HA ASP 12 3.030 3.677 -6.619 69 2HB ASP 12 2HB ASP 12 1.906 1.461 -6.291 70 H CYS 13 H CYS 13 3.670 2.562 -3.292 71 HA CYS 13 HA CYS 13 1.002 3.218 -2.340 72 2HB CYS 13 2HB CYS 13 3.657 2.951 -0.884 73 H SER 14 H SER 14 4.128 4.898 -2.265 74 HA SER 14 HA SER 14 3.104 7.485 -1.410 75 2HB SER 14 2HB SER 14 5.761 6.573 -2.590 76 HG SER 14 HG SER 14 5.380 8.821 -2.688 77 H ARG 15 H ARG 15 1.521 6.841 -3.457 78 HA ARG 15 HA ARG 15 1.918 8.771 -5.595 79 2HB ARG 15 2HB ARG 15 2.263 5.802 -6.084 80 2HG ARG 15 2HG ARG 15 2.178 7.769 -8.351 81 2HD ARG 15 2HD ARG 15 1.800 4.731 -8.204 82 HE ARG 15 HE ARG 15 1.686 6.547 -10.382 83 1HH1 ARG 15 1HH1 ARG 15 2.976 3.240 -9.583 84 2HH1 ARG 15 2HH1 ARG 15 3.161 2.831 -11.227 85 1HH2 ARG 15 1HH2 ARG 15 1.877 5.861 -12.562 86 2HH2 ARG 15 2HH2 ARG 15 2.470 4.275 -12.939 87 H LYS 16 H LYS 16 0.351 5.617 -4.741 88 HA LYS 16 HA LYS 16 -2.285 6.416 -5.512 89 2HB LYS 16 2HB LYS 16 -1.736 4.520 -3.204 90 2HG LYS 16 2HG LYS 16 -3.363 3.110 -4.361 91 2HD LYS 16 2HD LYS 16 -4.518 5.929 -4.159 92 2HE LYS 16 2HE LYS 16 -6.074 4.390 -5.213 93 1HZ LYS 16 1HZ LYS 16 -7.006 2.628 -3.879 94 2HZ LYS 16 2HZ LYS 16 -5.421 2.323 -4.184 95 3HZ LYS 16 3HZ LYS 16 -5.888 2.858 -2.697 96 H CYS 17 H CYS 17 -0.465 6.623 -2.388 97 HA CYS 17 HA CYS 17 -2.569 8.463 -1.332 98 2HB CYS 17 2HB CYS 17 -1.086 6.194 0.001 99 HA PRO 18 HA PRO 18 1.048 11.085 -0.887 100 2HB PRO 18 2HB PRO 18 -0.486 12.797 -1.343 101 2HG PRO 18 2HG PRO 18 -2.647 12.864 -0.273 102 2HD PRO 18 2HD PRO 18 -2.514 10.830 -1.487 103 H GLY 19 H GLY 19 1.992 12.490 1.079 104 1HA GLY 19 1HA GLY 19 3.004 12.423 3.146 105 2HA GLY 19 2HA GLY 19 1.644 11.462 3.757 106 H ASN 20 H ASN 20 3.819 10.837 1.055 107 HA ASN 20 HA ASN 20 4.383 8.649 0.389 108 2HB ASN 20 2HB ASN 20 6.809 8.694 0.743 109 1HD2 ASN 20 1HD2 ASN 20 8.217 10.239 -0.360 110 2HD2 ASN 20 2HD2 ASN 20 7.501 11.570 -1.254 111 HA PRO 21 HA PRO 21 3.875 6.410 4.340 112 2HB PRO 21 2HB PRO 21 1.704 5.704 4.485 113 2HG PRO 21 2HG PRO 21 1.034 7.511 3.190 114 2HD PRO 21 2HD PRO 21 2.226 8.158 1.280 115 HA PRO 22 HA PRO 22 6.353 2.887 2.919 116 2HB PRO 22 2HB PRO 22 7.248 2.979 5.082 117 2HG PRO 22 2HG PRO 22 5.845 3.218 7.019 118 2HD PRO 22 2HD PRO 22 5.407 5.101 5.659 119 H CYS 23 H CYS 23 6.110 0.267 3.224 120 HA CYS 23 HA CYS 23 3.255 -0.451 2.793 121 2HB CYS 23 2HB CYS 23 3.895 -2.020 1.086 122 H ARG 24 H ARG 24 2.717 -2.574 3.363 123 HA ARG 24 HA ARG 24 4.708 -4.150 4.930 124 2HB ARG 24 2HB ARG 24 1.834 -3.534 5.745 125 2HG ARG 24 2HG ARG 24 4.033 -5.140 7.130 126 2HD ARG 24 2HD ARG 24 1.183 -4.465 7.975 127 HE ARG 24 HE ARG 24 2.828 -6.634 8.780 128 1HH1 ARG 24 1HH1 ARG 24 0.937 -4.040 10.223 129 2HH1 ARG 24 2HH1 ARG 24 0.567 -4.887 11.693 130 1HH2 ARG 24 1HH2 ARG 24 2.365 -7.812 10.722 131 2HH2 ARG 24 2HH2 ARG 24 1.412 -7.096 11.975 132 H ASN 25 H ASN 25 4.831 -6.103 3.964 133 HA ASN 25 HA ASN 25 4.388 -7.869 2.622 134 2HB ASN 25 2HB ASN 25 1.581 -7.827 3.788 135 1HD2 ASN 25 1HD2 ASN 25 1.596 -9.285 1.631 136 2HD2 ASN 25 2HD2 ASN 25 1.990 -10.980 1.933 137 H GLY 26 H GLY 26 4.153 -5.492 1.189 138 1HA GLY 26 1HA GLY 26 3.426 -4.717 -0.836 139 2HA GLY 26 2HA GLY 26 2.735 -6.316 -1.135 140 H PHE 27 H PHE 27 1.712 -4.337 1.650 141 HA PHE 27 HA PHE 27 -0.612 -3.260 0.134 142 2HB PHE 27 2HB PHE 27 -1.855 -3.303 2.266 143 HD1 PHE 27 HD1 PHE 27 -0.221 -6.583 2.538 144 HD2 PHE 27 HD2 PHE 27 -3.205 -4.317 0.418 145 HE1 PHE 27 HE1 PHE 27 -1.112 -8.677 1.550 146 HE2 PHE 27 HE2 PHE 27 -4.119 -6.405 -0.545 147 HZ PHE 27 HZ PHE 27 -3.066 -8.596 0.009 148 H CYS 28 H CYS 28 -1.063 -1.126 0.491 149 HA CYS 28 HA CYS 28 1.292 0.482 1.169 150 2HB CYS 28 2HB CYS 28 -1.485 1.088 0.087 151 H ALA 29 H ALA 29 1.625 1.401 3.194 152 HA ALA 29 HA ALA 29 -0.477 1.087 5.211 153 1HB ALA 29 1HB ALA 29 1.227 1.804 6.767 154 2HB ALA 29 2HB ALA 29 1.923 0.604 5.657 155 3HB ALA 29 3HB ALA 29 2.279 2.335 5.442 156 H CYS 30 H CYS 30 -1.542 2.721 3.347 157 HA CYS 30 HA CYS 30 -1.112 5.553 3.758 158 2HB CYS 30 2HB CYS 30 -3.522 4.016 2.701 159 H THR 31 H THR 31 -3.743 3.311 4.783 160 HA THR 31 HA THR 31 -5.109 5.049 6.476 161 HB THR 31 HB THR 31 -4.810 2.023 6.777 162 HG1 THR 31 HG1 THR 31 -6.397 3.475 4.936 163 1HG2 THR 31 1HG2 THR 31 -7.224 2.133 7.311 164 2HG2 THR 31 2HG2 THR 31 -6.282 3.104 8.457 165 3HG2 THR 31 3HG2 THR 31 -7.198 3.902 7.158 Start of MODEL 11 1 1H THR 1 1H THR 1 -9.909 -9.195 4.292 2 HA THR 1 HA THR 1 -8.722 -7.152 6.020 3 HB THR 1 HB THR 1 -7.105 -8.252 3.689 4 HG1 THR 1 HG1 THR 1 -7.347 -9.571 5.651 5 1HG2 THR 1 1HG2 THR 1 -6.343 -6.324 5.928 6 2HG2 THR 1 2HG2 THR 1 -5.300 -6.865 4.601 7 3HG2 THR 1 3HG2 THR 1 -6.687 -5.812 4.261 8 HA PRO 2 HA PRO 2 -11.339 -5.833 2.384 9 2HB PRO 2 2HB PRO 2 -13.244 -6.301 3.623 10 2HG PRO 2 2HG PRO 2 -13.364 -5.844 5.985 11 2HD PRO 2 2HD PRO 2 -11.586 -7.370 5.634 12 H PHE 3 H PHE 3 -8.940 -4.703 2.929 13 HA PHE 3 HA PHE 3 -9.242 -2.006 1.953 14 2HB PHE 3 2HB PHE 3 -9.575 -1.395 4.226 15 HD1 PHE 3 HD1 PHE 3 -10.109 -3.037 5.917 16 HD2 PHE 3 HD2 PHE 3 -6.011 -2.345 4.760 17 HE1 PHE 3 HE1 PHE 3 -9.333 -4.346 7.874 18 HE2 PHE 3 HE2 PHE 3 -5.244 -3.655 6.718 19 HZ PHE 3 HZ PHE 3 -6.902 -4.662 8.278 20 H ALA 4 H ALA 4 -7.974 -4.779 1.467 21 HA ALA 4 HA ALA 4 -5.113 -4.405 1.676 22 1HB ALA 4 1HB ALA 4 -6.132 -6.605 1.853 23 2HB ALA 4 2HB ALA 4 -6.847 -6.455 0.237 24 3HB ALA 4 3HB ALA 4 -5.086 -6.556 0.427 25 H ILE 5 H ILE 5 -5.310 -2.222 0.578 26 HA ILE 5 HA ILE 5 -5.503 -2.127 -2.333 27 HB ILE 5 HB ILE 5 -4.434 -0.156 -0.273 28 2HG1 ILE 5 2HG1 ILE 5 -6.884 -0.703 -0.119 29 1HG2 ILE 5 1HG2 ILE 5 -5.048 0.279 -3.233 30 2HG2 ILE 5 2HG2 ILE 5 -4.537 1.528 -2.080 31 3HG2 ILE 5 3HG2 ILE 5 -3.422 0.247 -2.518 32 1HD1 ILE 5 1HD1 ILE 5 -7.740 1.513 -0.095 33 2HD1 ILE 5 2HD1 ILE 5 -6.051 1.592 0.442 34 3HD1 ILE 5 3HD1 ILE 5 -6.497 2.104 -1.204 35 H LYS 6 H LYS 6 -3.933 -2.948 -3.634 36 HA LYS 6 HA LYS 6 -1.642 -4.180 -2.526 37 2HB LYS 6 2HB LYS 6 -1.034 -4.456 -5.044 38 2HG LYS 6 2HG LYS 6 -1.983 -6.306 -3.841 39 2HD LYS 6 2HD LYS 6 -4.658 -4.918 -4.320 40 2HE LYS 6 2HE LYS 6 -4.122 -7.628 -3.025 41 1HZ LYS 6 1HZ LYS 6 -5.943 -6.146 -2.174 42 2HZ LYS 6 2HZ LYS 6 -6.709 -6.359 -3.602 43 3HZ LYS 6 3HZ LYS 6 -6.417 -7.666 -2.645 44 H CYS 7 H CYS 7 0.534 -3.814 -2.665 45 HA CYS 7 HA CYS 7 1.620 -1.313 -3.807 46 2HB CYS 7 2HB CYS 7 1.724 -2.115 -0.863 47 H ALA 8 H ALA 8 3.578 -1.856 -4.764 48 HA ALA 8 HA ALA 8 5.001 -4.319 -3.790 49 1HB ALA 8 1HB ALA 8 4.917 -3.037 -6.555 50 2HB ALA 8 2HB ALA 8 5.896 -4.443 -6.077 51 3HB ALA 8 3HB ALA 8 4.123 -4.549 -6.073 52 H THR 9 H THR 9 5.334 -1.075 -5.197 53 HA THR 9 HA THR 9 8.134 -0.769 -4.197 54 HB THR 9 HB THR 9 8.037 1.279 -5.608 55 HG1 THR 9 HG1 THR 9 5.379 0.358 -6.188 56 1HG2 THR 9 1HG2 THR 9 8.785 -0.866 -6.623 57 2HG2 THR 9 2HG2 THR 9 7.117 -1.196 -7.143 58 3HG2 THR 9 3HG2 THR 9 7.990 0.201 -7.798 59 H ASP 10 H ASP 10 8.557 1.357 -2.881 60 HA ASP 10 HA ASP 10 6.351 1.953 -1.088 61 2HB ASP 10 2HB ASP 10 8.864 2.318 -0.605 62 H ALA 11 H ALA 11 7.872 3.564 -3.844 63 HA ALA 11 HA ALA 11 6.423 5.606 -4.603 64 1HB ALA 11 1HB ALA 11 7.044 3.365 -6.549 65 2HB ALA 11 2HB ALA 11 6.765 5.070 -6.943 66 3HB ALA 11 3HB ALA 11 8.178 4.605 -5.975 67 H ASP 12 H ASP 12 5.060 2.300 -5.213 68 HA ASP 12 HA ASP 12 2.570 2.820 -6.300 69 2HB ASP 12 2HB ASP 12 1.756 1.125 -4.386 70 H CYS 13 H CYS 13 3.370 2.900 -2.855 71 HA CYS 13 HA CYS 13 0.689 3.774 -2.128 72 2HB CYS 13 2HB CYS 13 3.161 3.242 -0.448 73 H SER 14 H SER 14 3.991 5.091 -2.090 74 HA SER 14 HA SER 14 3.258 7.812 -1.392 75 2HB SER 14 2HB SER 14 5.756 6.795 -2.803 76 HG SER 14 HG SER 14 6.645 8.637 -1.823 77 H ARG 15 H ARG 15 1.435 7.291 -3.133 78 HA ARG 15 HA ARG 15 1.583 9.137 -5.239 79 2HB ARG 15 2HB ARG 15 1.822 6.240 -6.212 80 2HG ARG 15 2HG ARG 15 2.300 7.536 -8.392 81 2HD ARG 15 2HD ARG 15 -0.625 7.708 -7.591 82 HE ARG 15 HE ARG 15 -0.693 8.079 -9.823 83 1HH1 ARG 15 1HH1 ARG 15 1.687 5.561 -9.213 84 2HH1 ARG 15 2HH1 ARG 15 1.913 5.117 -10.877 85 1HH2 ARG 15 1HH2 ARG 15 -0.401 7.561 -12.067 86 2HH2 ARG 15 2HH2 ARG 15 0.702 6.313 -12.541 87 H LYS 16 H LYS 16 0.245 5.878 -4.418 88 HA LYS 16 HA LYS 16 -2.496 6.634 -4.934 89 2HB LYS 16 2HB LYS 16 -2.925 4.587 -3.399 90 2HG LYS 16 2HG LYS 16 -1.381 4.499 -6.016 91 2HD LYS 16 2HD LYS 16 -2.653 2.264 -6.269 92 2HE LYS 16 2HE LYS 16 -0.298 2.195 -4.346 93 1HZ LYS 16 1HZ LYS 16 -0.916 -0.001 -4.925 94 2HZ LYS 16 2HZ LYS 16 -1.162 0.385 -6.515 95 3HZ LYS 16 3HZ LYS 16 0.339 0.368 -5.910 96 H CYS 17 H CYS 17 -0.362 7.202 -2.142 97 HA CYS 17 HA CYS 17 -2.450 8.898 -0.965 98 2HB CYS 17 2HB CYS 17 -1.306 6.391 0.279 99 HA PRO 18 HA PRO 18 1.310 11.179 -0.585 100 2HB PRO 18 2HB PRO 18 -0.090 13.020 -0.845 101 2HG PRO 18 2HG PRO 18 -2.143 13.220 0.412 102 2HD PRO 18 2HD PRO 18 -2.235 11.222 -0.869 103 H GLY 19 H GLY 19 2.795 12.232 1.014 104 1HA GLY 19 1HA GLY 19 3.820 12.476 3.076 105 2HA GLY 19 2HA GLY 19 2.608 11.443 3.841 106 H ASN 20 H ASN 20 4.336 10.493 0.950 107 HA ASN 20 HA ASN 20 5.157 8.500 0.468 108 2HB ASN 20 2HB ASN 20 7.472 9.163 2.301 109 1HD2 ASN 20 1HD2 ASN 20 7.500 6.627 1.524 110 2HD2 ASN 20 2HD2 ASN 20 8.326 6.352 -0.035 111 HA PRO 21 HA PRO 21 4.100 5.954 4.229 112 2HB PRO 21 2HB PRO 21 1.826 6.265 4.174 113 2HG PRO 21 2HG PRO 21 0.728 7.024 2.171 114 2HD PRO 21 2HD PRO 21 2.456 8.507 2.749 115 HA PRO 22 HA PRO 22 6.021 2.862 1.502 116 2HB PRO 22 2HB PRO 22 7.512 2.746 3.332 117 2HG PRO 22 2HG PRO 22 6.698 2.508 5.597 118 2HD PRO 22 2HD PRO 22 5.891 4.565 4.771 119 H CYS 23 H CYS 23 5.925 0.274 1.393 120 HA CYS 23 HA CYS 23 3.116 -0.612 1.490 121 2HB CYS 23 2HB CYS 23 3.869 -2.707 0.697 122 H ARG 24 H ARG 24 2.278 -1.490 3.307 123 HA ARG 24 HA ARG 24 3.939 -2.892 5.317 124 2HB ARG 24 2HB ARG 24 0.930 -2.914 4.817 125 2HG ARG 24 2HG ARG 24 2.672 -3.973 7.098 126 2HD ARG 24 2HD ARG 24 -0.357 -3.900 6.783 127 HE ARG 24 HE ARG 24 1.224 -5.700 8.263 128 1HH1 ARG 24 1HH1 ARG 24 -1.414 -3.448 8.851 129 2HH1 ARG 24 2HH1 ARG 24 -2.087 -4.313 10.199 130 1HH2 ARG 24 1HH2 ARG 24 0.370 -6.897 10.052 131 2HH2 ARG 24 2HH2 ARG 24 -1.037 -6.336 10.892 132 H ASN 25 H ASN 25 5.163 -3.886 3.651 133 HA ASN 25 HA ASN 25 5.534 -5.271 1.786 134 2HB ASN 25 2HB ASN 25 5.851 -7.517 2.795 135 1HD2 ASN 25 1HD2 ASN 25 7.660 -7.955 4.300 136 2HD2 ASN 25 2HD2 ASN 25 8.687 -6.607 4.757 137 H GLY 26 H GLY 26 3.610 -4.800 0.448 138 1HA GLY 26 1HA GLY 26 2.444 -6.418 -1.062 139 2HA GLY 26 2HA GLY 26 1.634 -7.061 0.374 140 H PHE 27 H PHE 27 1.253 -4.507 1.745 141 HA PHE 27 HA PHE 27 -0.833 -3.347 -0.046 142 2HB PHE 27 2HB PHE 27 -2.355 -3.281 1.819 143 HD1 PHE 27 HD1 PHE 27 -1.427 -6.023 3.680 144 HD2 PHE 27 HD2 PHE 27 -2.353 -5.058 -0.419 145 HE1 PHE 27 HE1 PHE 27 -1.860 -8.411 3.212 146 HE2 PHE 27 HE2 PHE 27 -2.638 -7.469 -0.911 147 HZ PHE 27 HZ PHE 27 -2.439 -9.147 0.912 148 H CYS 28 H CYS 28 -1.306 -1.184 0.102 149 HA CYS 28 HA CYS 28 0.911 0.506 0.775 150 2HB CYS 28 2HB CYS 28 -1.942 1.013 -0.119 151 H ALA 29 H ALA 29 1.504 1.257 2.771 152 HA ALA 29 HA ALA 29 -0.380 1.032 5.012 153 1HB ALA 29 1HB ALA 29 2.487 2.045 4.942 154 2HB ALA 29 2HB ALA 29 1.540 1.605 6.376 155 3HB ALA 29 3HB ALA 29 2.002 0.358 5.202 156 H CYS 30 H CYS 30 -1.649 2.738 3.464 157 HA CYS 30 HA CYS 30 -0.918 5.535 3.819 158 2HB CYS 30 2HB CYS 30 -3.576 4.274 3.099 159 H THR 31 H THR 31 -0.466 5.188 6.173 160 HA THR 31 HA THR 31 -2.423 4.691 8.103 161 HB THR 31 HB THR 31 -0.030 4.731 8.571 162 HG1 THR 31 HG1 THR 31 -1.503 5.110 10.288 163 1HG2 THR 31 1HG2 THR 31 0.685 6.689 7.215 164 2HG2 THR 31 2HG2 THR 31 -0.183 7.772 8.329 165 3HG2 THR 31 3HG2 THR 31 1.199 6.828 8.903 Start of MODEL 12 1 1H THR 1 1H THR 1 -9.284 -8.350 -0.184 2 HA THR 1 HA THR 1 -11.401 -8.033 1.746 3 HB THR 1 HB THR 1 -8.484 -7.644 2.563 4 HG1 THR 1 HG1 THR 1 -9.429 -9.809 2.463 5 1HG2 THR 1 1HG2 THR 1 -9.970 -5.969 3.651 6 2HG2 THR 1 2HG2 THR 1 -11.022 -7.291 4.221 7 3HG2 THR 1 3HG2 THR 1 -9.356 -7.162 4.809 8 HA PRO 2 HA PRO 2 -11.192 -4.389 -0.815 9 2HB PRO 2 2HB PRO 2 -13.357 -3.869 -0.296 10 2HG PRO 2 2HG PRO 2 -14.267 -4.382 1.852 11 2HD PRO 2 2HD PRO 2 -13.220 -6.374 1.040 12 H PHE 3 H PHE 3 -10.510 -3.931 2.660 13 HA PHE 3 HA PHE 3 -9.000 -1.575 2.456 14 2HB PHE 3 2HB PHE 3 -8.313 -2.024 4.684 15 HD1 PHE 3 HD1 PHE 3 -10.193 -4.674 5.789 16 HD2 PHE 3 HD2 PHE 3 -10.777 -0.809 3.948 17 HE1 PHE 3 HE1 PHE 3 -12.559 -4.685 6.502 18 HE2 PHE 3 HE2 PHE 3 -13.136 -0.818 4.699 19 HZ PHE 3 HZ PHE 3 -14.038 -2.763 5.958 20 H ALA 4 H ALA 4 -8.090 -4.759 1.340 21 HA ALA 4 HA ALA 4 -5.231 -4.438 1.880 22 1HB ALA 4 1HB ALA 4 -5.025 -6.578 0.751 23 2HB ALA 4 2HB ALA 4 -6.322 -6.643 1.954 24 3HB ALA 4 3HB ALA 4 -6.711 -6.513 0.222 25 H ILE 5 H ILE 5 -5.552 -2.206 0.727 26 HA ILE 5 HA ILE 5 -5.410 -2.133 -2.161 27 HB ILE 5 HB ILE 5 -4.349 -0.204 -0.052 28 2HG1 ILE 5 2HG1 ILE 5 -6.813 -0.574 0.047 29 1HG2 ILE 5 1HG2 ILE 5 -4.840 0.234 -3.033 30 2HG2 ILE 5 2HG2 ILE 5 -4.257 1.451 -1.875 31 3HG2 ILE 5 3HG2 ILE 5 -3.239 0.080 -2.282 32 1HD1 ILE 5 1HD1 ILE 5 -5.882 1.713 0.479 33 2HD1 ILE 5 2HD1 ILE 5 -6.275 2.137 -1.206 34 3HD1 ILE 5 3HD1 ILE 5 -7.563 1.673 -0.088 35 H LYS 6 H LYS 6 -3.784 -3.075 -3.319 36 HA LYS 6 HA LYS 6 -1.538 -4.241 -1.995 37 2HB LYS 6 2HB LYS 6 -0.879 -4.435 -4.638 38 2HG LYS 6 2HG LYS 6 -1.164 -6.293 -3.118 39 2HD LYS 6 2HD LYS 6 -3.329 -5.830 -2.094 40 2HE LYS 6 2HE LYS 6 -4.682 -4.961 -3.945 41 1HZ LYS 6 1HZ LYS 6 -5.523 -6.482 -5.587 42 2HZ LYS 6 2HZ LYS 6 -3.889 -6.370 -5.718 43 3HZ LYS 6 3HZ LYS 6 -4.573 -7.701 -5.026 44 H CYS 7 H CYS 7 0.702 -3.962 -2.441 45 HA CYS 7 HA CYS 7 1.738 -1.496 -3.657 46 2HB CYS 7 2HB CYS 7 1.990 -2.120 -0.673 47 H ALA 8 H ALA 8 3.643 -2.183 -4.703 48 HA ALA 8 HA ALA 8 4.918 -4.719 -3.726 49 1HB ALA 8 1HB ALA 8 5.952 -4.770 -5.939 50 2HB ALA 8 2HB ALA 8 4.183 -4.720 -6.074 51 3HB ALA 8 3HB ALA 8 5.141 -3.258 -6.389 52 H THR 9 H THR 9 5.396 -1.343 -4.645 53 HA THR 9 HA THR 9 8.090 -1.226 -3.357 54 HB THR 9 HB THR 9 8.526 0.531 -5.077 55 HG1 THR 9 HG1 THR 9 5.939 -0.264 -6.009 56 1HG2 THR 9 1HG2 THR 9 7.713 -2.132 -6.335 57 2HG2 THR 9 2HG2 THR 9 8.861 -0.948 -6.986 58 3HG2 THR 9 3HG2 THR 9 9.245 -1.818 -5.487 59 H ASP 10 H ASP 10 8.452 0.647 -2.118 60 HA ASP 10 HA ASP 10 6.546 2.079 -0.697 61 2HB ASP 10 2HB ASP 10 8.835 2.311 -0.130 62 H ALA 11 H ALA 11 8.140 3.261 -3.682 63 HA ALA 11 HA ALA 11 6.742 5.268 -4.590 64 1HB ALA 11 1HB ALA 11 7.345 2.829 -6.300 65 2HB ALA 11 2HB ALA 11 7.089 4.485 -6.886 66 3HB ALA 11 3HB ALA 11 8.490 4.113 -5.857 67 H ASP 12 H ASP 12 5.236 1.943 -4.843 68 HA ASP 12 HA ASP 12 2.979 2.750 -6.389 69 2HB ASP 12 2HB ASP 12 1.806 0.819 -5.301 70 H CYS 13 H CYS 13 3.398 2.399 -2.880 71 HA CYS 13 HA CYS 13 0.749 3.361 -2.263 72 2HB CYS 13 2HB CYS 13 3.174 2.975 -0.479 73 H SER 14 H SER 14 4.007 4.754 -2.083 74 HA SER 14 HA SER 14 3.180 7.468 -1.475 75 2HB SER 14 2HB SER 14 5.798 6.337 -2.551 76 HG SER 14 HG SER 14 5.530 8.577 -2.806 77 H ARG 15 H ARG 15 1.587 6.742 -3.465 78 HA ARG 15 HA ARG 15 1.928 8.701 -5.477 79 2HB ARG 15 2HB ARG 15 2.253 5.818 -6.469 80 2HG ARG 15 2HG ARG 15 2.802 7.294 -8.609 81 2HD ARG 15 2HD ARG 15 -0.008 6.444 -7.752 82 HE ARG 15 HE ARG 15 0.511 6.899 -10.560 83 1HH1 ARG 15 1HH1 ARG 15 -0.713 8.500 -7.599 84 2HH1 ARG 15 2HH1 ARG 15 -1.664 9.649 -8.468 85 1HH2 ARG 15 1HH2 ARG 15 -0.758 8.447 -11.691 86 2HH2 ARG 15 2HH2 ARG 15 -1.692 9.625 -10.831 87 H LYS 16 H LYS 16 0.423 5.578 -4.536 88 HA LYS 16 HA LYS 16 -2.265 6.269 -5.307 89 2HB LYS 16 2HB LYS 16 -2.810 4.683 -3.341 90 2HG LYS 16 2HG LYS 16 -1.619 2.658 -4.397 91 2HD LYS 16 2HD LYS 16 -2.753 2.769 -6.597 92 2HE LYS 16 2HE LYS 16 -4.541 3.801 -4.332 93 1HZ LYS 16 1HZ LYS 16 -5.184 2.129 -6.659 94 2HZ LYS 16 2HZ LYS 16 -6.204 2.533 -5.434 95 3HZ LYS 16 3HZ LYS 16 -5.639 3.698 -6.445 96 H CYS 17 H CYS 17 -0.322 6.922 -2.350 97 HA CYS 17 HA CYS 17 -2.353 8.880 -1.425 98 2HB CYS 17 2HB CYS 17 -1.319 6.386 -0.065 99 HA PRO 18 HA PRO 18 1.486 11.032 -1.018 100 2HB PRO 18 2HB PRO 18 0.141 12.878 -1.518 101 2HG PRO 18 2HG PRO 18 -1.947 13.256 -0.359 102 2HD PRO 18 2HD PRO 18 -2.068 11.163 -1.469 103 H GLY 19 H GLY 19 2.861 12.243 0.612 104 1HA GLY 19 1HA GLY 19 3.761 12.604 2.707 105 2HA GLY 19 2HA GLY 19 2.455 11.683 3.461 106 H ASN 20 H ASN 20 4.411 10.472 0.802 107 HA ASN 20 HA ASN 20 5.314 8.451 0.537 108 2HB ASN 20 2HB ASN 20 7.227 9.504 2.630 109 1HD2 ASN 20 1HD2 ASN 20 9.556 8.969 1.900 110 2HD2 ASN 20 2HD2 ASN 20 9.796 7.376 1.199 111 HA PRO 21 HA PRO 21 3.789 5.996 4.162 112 2HB PRO 21 2HB PRO 21 1.547 6.396 3.847 113 2HG PRO 21 2HG PRO 21 0.679 7.060 1.702 114 2HD PRO 21 2HD PRO 21 2.357 8.560 2.352 115 HA PRO 22 HA PRO 22 6.005 2.976 1.565 116 2HB PRO 22 2HB PRO 22 7.461 2.974 3.413 117 2HG PRO 22 2HG PRO 22 6.624 2.787 5.673 118 2HD PRO 22 2HD PRO 22 5.738 4.775 4.750 119 H CYS 23 H CYS 23 6.038 0.406 1.457 120 HA CYS 23 HA CYS 23 3.293 -0.634 1.496 121 2HB CYS 23 2HB CYS 23 4.194 -2.726 0.833 122 H ARG 24 H ARG 24 2.423 -1.323 3.375 123 HA ARG 24 HA ARG 24 3.988 -2.693 5.478 124 2HB ARG 24 2HB ARG 24 0.999 -2.662 4.872 125 2HG ARG 24 2HG ARG 24 2.605 -3.703 7.258 126 2HD ARG 24 2HD ARG 24 -0.399 -3.603 6.754 127 HE ARG 24 HE ARG 24 1.065 -5.399 8.359 128 1HH1 ARG 24 1HH1 ARG 24 -1.602 -3.137 8.720 129 2HH1 ARG 24 2HH1 ARG 24 -2.382 -3.988 10.020 130 1HH2 ARG 24 1HH2 ARG 24 0.070 -6.581 10.083 131 2HH2 ARG 24 2HH2 ARG 24 -1.395 -6.007 10.808 132 H ASN 25 H ASN 25 5.223 -3.746 3.840 133 HA ASN 25 HA ASN 25 5.649 -5.285 2.141 134 2HB ASN 25 2HB ASN 25 4.835 -6.849 4.613 135 1HD2 ASN 25 1HD2 ASN 25 7.130 -6.868 1.760 136 2HD2 ASN 25 2HD2 ASN 25 7.084 -8.612 1.612 137 H GLY 26 H GLY 26 4.009 -4.941 0.531 138 1HA GLY 26 1HA GLY 26 2.811 -6.377 -0.983 139 2HA GLY 26 2HA GLY 26 1.999 -7.161 0.369 140 H PHE 27 H PHE 27 1.644 -4.452 1.767 141 HA PHE 27 HA PHE 27 -0.659 -3.521 0.126 142 2HB PHE 27 2HB PHE 27 -2.004 -3.566 2.125 143 HD1 PHE 27 HD1 PHE 27 -2.764 -5.256 0.346 144 HD2 PHE 27 HD2 PHE 27 0.213 -6.243 3.300 145 HE1 PHE 27 HE1 PHE 27 -2.978 -7.670 -0.227 146 HE2 PHE 27 HE2 PHE 27 0.037 -8.626 2.690 147 HZ PHE 27 HZ PHE 27 -1.570 -9.352 0.933 148 H CYS 28 H CYS 28 -1.241 -1.354 0.283 149 HA CYS 28 HA CYS 28 0.958 0.431 0.831 150 2HB CYS 28 2HB CYS 28 -1.908 0.812 -0.094 151 H ALA 29 H ALA 29 1.501 1.264 2.815 152 HA ALA 29 HA ALA 29 -0.468 1.218 5.004 153 1HB ALA 29 1HB ALA 29 1.412 1.889 6.380 154 2HB ALA 29 2HB ALA 29 1.908 0.553 5.324 155 3HB ALA 29 3HB ALA 29 2.404 2.212 4.946 156 H CYS 30 H CYS 30 -1.601 2.827 3.176 157 HA CYS 30 HA CYS 30 -0.821 5.586 3.201 158 2HB CYS 30 2HB CYS 30 -3.546 4.306 2.843 159 H THR 31 H THR 31 -1.461 7.340 4.525 160 HA THR 31 HA THR 31 -2.036 6.934 7.285 161 HB THR 31 HB THR 31 -2.620 9.433 7.050 162 HG1 THR 31 HG1 THR 31 -3.291 9.146 4.845 163 1HG2 THR 31 1HG2 THR 31 0.034 8.533 5.819 164 2HG2 THR 31 2HG2 THR 31 -0.322 10.126 6.511 165 3HG2 THR 31 3HG2 THR 31 -0.300 8.693 7.559 Start of MODEL 13 1 1H THR 1 1H THR 1 -8.209 -4.046 -3.645 2 HA THR 1 HA THR 1 -9.353 -6.661 -3.316 3 HB THR 1 HB THR 1 -7.721 -6.340 -1.203 4 HG1 THR 1 HG1 THR 1 -6.449 -4.659 -1.347 5 1HG2 THR 1 1HG2 THR 1 -7.281 -7.857 -3.111 6 2HG2 THR 1 2HG2 THR 1 -6.688 -6.481 -4.068 7 3HG2 THR 1 3HG2 THR 1 -5.815 -7.000 -2.608 8 HA PRO 2 HA PRO 2 -12.438 -5.423 -0.360 9 2HB PRO 2 2HB PRO 2 -13.101 -7.649 -0.454 10 2HG PRO 2 2HG PRO 2 -11.510 -9.451 -0.306 11 2HD PRO 2 2HD PRO 2 -10.902 -8.103 -2.164 12 H PHE 3 H PHE 3 -10.800 -3.784 0.233 13 HA PHE 3 HA PHE 3 -9.702 -2.499 1.720 14 2HB PHE 3 2HB PHE 3 -9.964 -4.648 3.861 15 HD1 PHE 3 HD1 PHE 3 -8.424 -4.193 5.581 16 HD2 PHE 3 HD2 PHE 3 -10.286 -0.901 3.498 17 HE1 PHE 3 HE1 PHE 3 -7.139 -2.585 6.960 18 HE2 PHE 3 HE2 PHE 3 -8.989 0.699 4.876 19 HZ PHE 3 HZ PHE 3 -7.405 -0.139 6.600 20 H ALA 4 H ALA 4 -7.501 -2.970 3.236 21 HA ALA 4 HA ALA 4 -5.279 -3.316 2.931 22 1HB ALA 4 1HB ALA 4 -4.513 -5.594 2.525 23 2HB ALA 4 2HB ALA 4 -5.874 -5.594 3.660 24 3HB ALA 4 3HB ALA 4 -6.125 -6.086 1.973 25 H ILE 5 H ILE 5 -5.688 -1.629 1.251 26 HA ILE 5 HA ILE 5 -5.957 -2.176 -1.502 27 HB ILE 5 HB ILE 5 -4.562 0.146 -0.105 28 2HG1 ILE 5 2HG1 ILE 5 -6.949 -0.186 0.562 29 1HG2 ILE 5 1HG2 ILE 5 -3.911 0.001 -2.500 30 2HG2 ILE 5 2HG2 ILE 5 -5.625 -0.073 -2.961 31 3HG2 ILE 5 3HG2 ILE 5 -4.944 1.388 -2.219 32 1HD1 ILE 5 1HD1 ILE 5 -6.021 2.142 0.303 33 2HD1 ILE 5 2HD1 ILE 5 -6.802 2.197 -1.299 34 3HD1 ILE 5 3HD1 ILE 5 -7.782 1.982 0.152 35 H LYS 6 H LYS 6 -4.555 -3.020 -2.987 36 HA LYS 6 HA LYS 6 -2.087 -4.152 -2.221 37 2HB LYS 6 2HB LYS 6 -1.731 -4.201 -4.828 38 2HG LYS 6 2HG LYS 6 -4.078 -5.566 -4.972 39 2HD LYS 6 2HD LYS 6 -1.911 -6.644 -5.332 40 2HE LYS 6 2HE LYS 6 -1.061 -7.801 -3.050 41 1HZ LYS 6 1HZ LYS 6 0.540 -6.661 -4.255 42 2HZ LYS 6 2HZ LYS 6 -0.076 -5.167 -4.000 43 3HZ LYS 6 3HZ LYS 6 0.549 -5.963 -2.762 44 H CYS 7 H CYS 7 -0.028 -3.526 -2.257 45 HA CYS 7 HA CYS 7 0.764 -0.963 -3.575 46 2HB CYS 7 2HB CYS 7 2.088 -2.454 -1.257 47 H ALA 8 H ALA 8 3.116 -1.282 -4.429 48 HA ALA 8 HA ALA 8 3.809 -4.087 -5.045 49 1HB ALA 8 1HB ALA 8 2.654 -3.465 -7.059 50 2HB ALA 8 2HB ALA 8 3.531 -1.935 -7.177 51 3HB ALA 8 3HB ALA 8 4.398 -3.472 -7.384 52 H THR 9 H THR 9 5.092 -0.798 -5.982 53 HA THR 9 HA THR 9 7.479 -1.404 -4.258 54 HB THR 9 HB THR 9 8.543 0.459 -5.373 55 HG1 THR 9 HG1 THR 9 6.127 0.639 -6.876 56 1HG2 THR 9 1HG2 THR 9 7.331 -1.449 -7.430 57 2HG2 THR 9 2HG2 THR 9 8.823 -0.506 -7.598 58 3HG2 THR 9 3HG2 THR 9 8.733 -1.807 -6.393 59 H ASP 10 H ASP 10 8.108 0.248 -2.721 60 HA ASP 10 HA ASP 10 6.197 1.427 -1.052 61 2HB ASP 10 2HB ASP 10 8.451 1.268 -0.315 62 H ALA 11 H ALA 11 8.116 3.128 -3.561 63 HA ALA 11 HA ALA 11 6.917 5.419 -4.038 64 1HB ALA 11 1HB ALA 11 7.375 5.191 -6.413 65 2HB ALA 11 2HB ALA 11 8.676 4.471 -5.444 66 3HB ALA 11 3HB ALA 11 7.488 3.431 -6.254 67 H ASP 12 H ASP 12 5.274 2.324 -5.067 68 HA ASP 12 HA ASP 12 3.156 3.698 -6.414 69 2HB ASP 12 2HB ASP 12 1.926 1.548 -6.267 70 H CYS 13 H CYS 13 3.617 2.728 -3.034 71 HA CYS 13 HA CYS 13 0.836 3.391 -2.348 72 2HB CYS 13 2HB CYS 13 3.251 2.884 -0.582 73 H SER 14 H SER 14 4.054 4.820 -2.025 74 HA SER 14 HA SER 14 3.211 7.466 -1.172 75 2HB SER 14 2HB SER 14 5.788 6.353 -2.344 76 HG SER 14 HG SER 14 5.592 8.602 -2.573 77 H ARG 15 H ARG 15 1.542 7.053 -3.106 78 HA ARG 15 HA ARG 15 1.890 8.870 -5.301 79 2HB ARG 15 2HB ARG 15 2.322 5.908 -5.750 80 2HG ARG 15 2HG ARG 15 2.099 7.812 -8.060 81 2HD ARG 15 2HD ARG 15 1.795 4.774 -7.819 82 HE ARG 15 HE ARG 15 1.529 6.517 -10.031 83 1HH1 ARG 15 1HH1 ARG 15 3.038 3.274 -9.246 84 2HH1 ARG 15 2HH1 ARG 15 3.072 2.832 -10.884 85 1HH2 ARG 15 1HH2 ARG 15 1.567 5.766 -12.189 86 2HH2 ARG 15 2HH2 ARG 15 2.198 4.195 -12.568 87 H LYS 16 H LYS 16 0.453 5.666 -4.416 88 HA LYS 16 HA LYS 16 -2.208 6.275 -5.122 89 2HB LYS 16 2HB LYS 16 -1.209 4.452 -2.880 90 2HG LYS 16 2HG LYS 16 -3.211 3.076 -3.844 91 2HD LYS 16 2HD LYS 16 -3.230 5.189 -1.761 92 2HE LYS 16 2HE LYS 16 -5.606 4.951 -1.273 93 1HZ LYS 16 1HZ LYS 16 -4.816 6.762 -2.822 94 2HZ LYS 16 2HZ LYS 16 -5.464 5.910 -4.044 95 3HZ LYS 16 3HZ LYS 16 -6.439 6.444 -2.833 96 H CYS 17 H CYS 17 -0.372 7.015 -2.095 97 HA CYS 17 HA CYS 17 -2.364 9.064 -1.461 98 2HB CYS 17 2HB CYS 17 -3.367 7.209 -0.370 99 HA PRO 18 HA PRO 18 1.369 11.058 -0.469 100 2HB PRO 18 2HB PRO 18 0.023 12.949 -0.799 101 2HG PRO 18 2HG PRO 18 -2.083 13.205 0.367 102 2HD PRO 18 2HD PRO 18 -2.173 11.270 -0.993 103 H GLY 19 H GLY 19 2.591 12.210 1.409 104 1HA GLY 19 1HA GLY 19 3.402 12.270 3.575 105 2HA GLY 19 2HA GLY 19 2.199 11.085 4.098 106 H ASN 20 H ASN 20 4.014 10.365 1.244 107 HA ASN 20 HA ASN 20 5.198 8.567 0.685 108 2HB ASN 20 2HB ASN 20 7.494 8.521 1.570 109 1HD2 ASN 20 1HD2 ASN 20 6.648 9.541 -0.720 110 2HD2 ASN 20 2HD2 ASN 20 7.158 11.216 -0.884 111 HA PRO 21 HA PRO 21 4.004 5.644 4.134 112 2HB PRO 21 2HB PRO 21 1.737 5.974 4.108 113 2HG PRO 21 2HG PRO 21 0.635 6.870 2.187 114 2HD PRO 21 2HD PRO 21 2.333 8.299 2.785 115 HA PRO 22 HA PRO 22 5.838 2.730 1.137 116 2HB PRO 22 2HB PRO 22 7.454 2.657 2.861 117 2HG PRO 22 2HG PRO 22 6.811 2.273 5.164 118 2HD PRO 22 2HD PRO 22 5.846 4.309 4.491 119 H CYS 23 H CYS 23 5.896 0.178 0.937 120 HA CYS 23 HA CYS 23 3.182 -0.922 1.057 121 2HB CYS 23 2HB CYS 23 4.110 -2.938 0.240 122 H ARG 24 H ARG 24 2.481 -1.411 3.138 123 HA ARG 24 HA ARG 24 4.181 -2.873 5.068 124 2HB ARG 24 2HB ARG 24 1.163 -2.509 4.887 125 2HG ARG 24 2HG ARG 24 2.908 -3.775 7.059 126 2HD ARG 24 2HD ARG 24 -0.107 -3.435 6.821 127 HE ARG 24 HE ARG 24 1.436 -5.366 8.265 128 1HH1 ARG 24 1HH1 ARG 24 -1.310 -3.208 8.699 129 2HH1 ARG 24 2HH1 ARG 24 -2.139 -4.205 9.855 130 1HH2 ARG 24 1HH2 ARG 24 0.389 -6.726 9.813 131 2HH2 ARG 24 2HH2 ARG 24 -1.126 -6.262 10.515 132 H ASN 25 H ASN 25 5.077 -4.494 3.760 133 HA ASN 25 HA ASN 25 5.190 -6.616 2.886 134 2HB ASN 25 2HB ASN 25 3.727 -8.279 3.894 135 1HD2 ASN 25 1HD2 ASN 25 6.032 -7.889 4.878 136 2HD2 ASN 25 2HD2 ASN 25 6.035 -7.326 6.538 137 H GLY 26 H GLY 26 4.230 -4.806 1.064 138 1HA GLY 26 1HA GLY 26 3.458 -4.944 -1.116 139 2HA GLY 26 2HA GLY 26 2.775 -6.536 -0.789 140 H PHE 27 H PHE 27 1.683 -4.241 1.567 141 HA PHE 27 HA PHE 27 -0.696 -3.467 -0.062 142 2HB PHE 27 2HB PHE 27 -2.011 -3.681 1.983 143 HD1 PHE 27 HD1 PHE 27 0.219 -6.535 2.641 144 HD2 PHE 27 HD2 PHE 27 -2.932 -5.084 0.095 145 HE1 PHE 27 HE1 PHE 27 -0.224 -8.844 1.875 146 HE2 PHE 27 HE2 PHE 27 -3.500 -7.416 -0.538 147 HZ PHE 27 HZ PHE 27 -2.114 -9.304 0.320 148 H CYS 28 H CYS 28 -1.417 -1.342 0.236 149 HA CYS 28 HA CYS 28 0.830 0.385 0.767 150 2HB CYS 28 2HB CYS 28 -1.973 0.856 -0.266 151 H ALA 29 H ALA 29 1.395 1.174 2.704 152 HA ALA 29 HA ALA 29 -0.504 1.046 4.916 153 1HB ALA 29 1HB ALA 29 1.460 1.523 6.267 154 2HB ALA 29 2HB ALA 29 1.866 0.307 5.037 155 3HB ALA 29 3HB ALA 29 2.387 1.983 4.821 156 H CYS 30 H CYS 30 -1.694 2.903 3.351 157 HA CYS 30 HA CYS 30 -0.848 5.556 3.435 158 2HB CYS 30 2HB CYS 30 -3.220 6.260 3.405 159 H THR 31 H THR 31 -2.525 3.801 6.014 160 HA THR 31 HA THR 31 -1.650 5.856 7.976 161 HB THR 31 HB THR 31 -3.851 6.601 7.535 162 HG1 THR 31 HG1 THR 31 -3.898 4.867 9.772 163 1HG2 THR 31 1HG2 THR 31 -5.859 5.159 7.665 164 2HG2 THR 31 2HG2 THR 31 -4.829 4.735 6.294 165 3HG2 THR 31 3HG2 THR 31 -4.832 3.717 7.753 Start of MODEL 14 1 1H THR 1 1H THR 1 -14.986 -9.234 2.307 2 HA THR 1 HA THR 1 -14.122 -6.869 2.934 3 HB THR 1 HB THR 1 -12.590 -9.395 3.679 4 HG1 THR 1 HG1 THR 1 -14.378 -9.814 5.028 5 1HG2 THR 1 1HG2 THR 1 -12.756 -8.430 5.985 6 2HG2 THR 1 2HG2 THR 1 -11.821 -7.402 4.900 7 3HG2 THR 1 3HG2 THR 1 -13.502 -6.969 5.307 8 HA PRO 2 HA PRO 2 -10.614 -7.258 -0.192 9 2HB PRO 2 2HB PRO 2 -12.117 -6.962 -1.956 10 2HG PRO 2 2HG PRO 2 -13.898 -5.324 -1.838 11 2HD PRO 2 2HD PRO 2 -14.199 -6.974 -0.180 12 H PHE 3 H PHE 3 -10.309 -6.015 2.296 13 HA PHE 3 HA PHE 3 -9.289 -3.261 1.888 14 2HB PHE 3 2HB PHE 3 -8.607 -3.505 4.281 15 HD1 PHE 3 HD1 PHE 3 -11.840 -5.331 3.915 16 HD2 PHE 3 HD2 PHE 3 -9.941 -1.506 4.474 17 HE1 PHE 3 HE1 PHE 3 -14.047 -4.309 4.410 18 HE2 PHE 3 HE2 PHE 3 -12.143 -0.492 4.980 19 HZ PHE 3 HZ PHE 3 -14.199 -1.888 4.946 20 H ALA 4 H ALA 4 -8.066 -4.490 0.072 21 HA ALA 4 HA ALA 4 -5.327 -5.264 1.005 22 1HB ALA 4 1HB ALA 4 -6.659 -7.319 0.751 23 2HB ALA 4 2HB ALA 4 -7.119 -6.839 -0.896 24 3HB ALA 4 3HB ALA 4 -5.423 -7.211 -0.510 25 H ILE 5 H ILE 5 -5.642 -2.830 0.221 26 HA ILE 5 HA ILE 5 -5.309 -2.322 -2.616 27 HB ILE 5 HB ILE 5 -4.467 -0.684 -0.183 28 2HG1 ILE 5 2HG1 ILE 5 -6.914 -1.130 -0.221 29 1HG2 ILE 5 1HG2 ILE 5 -3.302 -0.080 -2.343 30 2HG2 ILE 5 2HG2 ILE 5 -4.892 0.189 -3.078 31 3HG2 ILE 5 3HG2 ILE 5 -4.333 1.206 -1.732 32 1HD1 ILE 5 1HD1 ILE 5 -7.716 1.097 -0.072 33 2HD1 ILE 5 2HD1 ILE 5 -6.046 1.107 0.528 34 3HD1 ILE 5 3HD1 ILE 5 -6.425 1.732 -1.097 35 H LYS 6 H LYS 6 -3.540 -3.079 -3.707 36 HA LYS 6 HA LYS 6 -1.412 -4.339 -2.195 37 2HB LYS 6 2HB LYS 6 -0.682 -5.061 -4.531 38 2HG LYS 6 2HG LYS 6 -3.302 -5.581 -3.161 39 2HD LYS 6 2HD LYS 6 -2.441 -7.205 -5.562 40 2HE LYS 6 2HE LYS 6 -3.943 -8.218 -3.785 41 1HZ LYS 6 1HZ LYS 6 -6.211 -7.463 -3.733 42 2HZ LYS 6 2HZ LYS 6 -5.270 -6.204 -3.262 43 3HZ LYS 6 3HZ LYS 6 -5.900 -6.234 -4.774 44 H CYS 7 H CYS 7 0.847 -4.069 -2.607 45 HA CYS 7 HA CYS 7 1.856 -1.495 -3.611 46 2HB CYS 7 2HB CYS 7 1.832 -2.203 -0.654 47 H ALA 8 H ALA 8 3.607 -2.298 -4.693 48 HA ALA 8 HA ALA 8 5.224 -4.511 -3.641 49 1HB ALA 8 1HB ALA 8 5.656 -2.630 -6.003 50 2HB ALA 8 2HB ALA 8 6.592 -4.093 -5.631 51 3HB ALA 8 3HB ALA 8 4.875 -4.224 -6.063 52 H THR 9 H THR 9 5.657 -0.949 -4.240 53 HA THR 9 HA THR 9 7.806 -0.897 -2.171 54 HB THR 9 HB THR 9 9.083 0.555 -3.723 55 HG1 THR 9 HG1 THR 9 6.820 0.155 -5.340 56 1HG2 THR 9 1HG2 THR 9 9.516 -1.907 -3.642 57 2HG2 THR 9 2HG2 THR 9 8.427 -2.114 -5.032 58 3HG2 THR 9 3HG2 THR 9 9.904 -1.153 -5.202 59 H ASP 10 H ASP 10 8.442 1.363 -1.680 60 HA ASP 10 HA ASP 10 6.570 3.144 -0.646 61 2HB ASP 10 2HB ASP 10 8.878 3.419 -0.159 62 H ALA 11 H ALA 11 8.150 3.405 -3.882 63 HA ALA 11 HA ALA 11 6.823 5.292 -5.150 64 1HB ALA 11 1HB ALA 11 8.444 3.757 -6.212 65 2HB ALA 11 2HB ALA 11 7.155 2.551 -6.415 66 3HB ALA 11 3HB ALA 11 7.044 4.110 -7.245 67 H ASP 12 H ASP 12 5.290 1.954 -5.047 68 HA ASP 12 HA ASP 12 2.917 2.560 -6.281 69 2HB ASP 12 2HB ASP 12 1.960 0.680 -5.114 70 H CYS 13 H CYS 13 3.492 2.620 -2.729 71 HA CYS 13 HA CYS 13 0.819 3.544 -2.320 72 2HB CYS 13 2HB CYS 13 2.829 3.812 -0.107 73 H SER 14 H SER 14 3.935 5.227 -2.293 74 HA SER 14 HA SER 14 3.027 7.793 -1.512 75 2HB SER 14 2HB SER 14 5.390 7.253 -1.655 76 HG SER 14 HG SER 14 5.378 5.958 -3.494 77 H ARG 15 H ARG 15 3.279 6.375 -4.809 78 HA ARG 15 HA ARG 15 2.127 8.531 -6.211 79 2HB ARG 15 2HB ARG 15 1.720 5.600 -6.927 80 2HG ARG 15 2HG ARG 15 2.119 6.271 -9.191 81 2HD ARG 15 2HD ARG 15 0.316 8.481 -8.186 82 HE ARG 15 HE ARG 15 0.766 7.388 -10.768 83 1HH1 ARG 15 1HH1 ARG 15 -1.809 8.443 -8.617 84 2HH1 ARG 15 2HH1 ARG 15 -2.941 8.855 -9.868 85 1HH2 ARG 15 1HH2 ARG 15 -0.703 7.926 -12.496 86 2HH2 ARG 15 2HH2 ARG 15 -2.279 8.555 -12.144 87 H LYS 16 H LYS 16 0.535 5.648 -4.727 88 HA LYS 16 HA LYS 16 -2.117 6.453 -5.448 89 2HB LYS 16 2HB LYS 16 -1.024 4.479 -3.425 90 2HG LYS 16 2HG LYS 16 -3.508 3.547 -3.912 91 2HD LYS 16 2HD LYS 16 -2.437 5.330 -1.733 92 2HE LYS 16 2HE LYS 16 -5.191 4.028 -1.714 93 1HZ LYS 16 1HZ LYS 16 -3.970 5.732 0.382 94 2HZ LYS 16 2HZ LYS 16 -5.338 4.818 0.492 95 3HZ LYS 16 3HZ LYS 16 -3.896 4.112 0.413 96 H CYS 17 H CYS 17 -0.085 7.378 -2.691 97 HA CYS 17 HA CYS 17 -2.135 9.241 -1.688 98 2HB CYS 17 2HB CYS 17 -1.210 6.733 -0.281 99 HA PRO 18 HA PRO 18 2.017 10.899 -1.438 100 2HB PRO 18 2HB PRO 18 1.121 12.800 -2.404 101 2HG PRO 18 2HG PRO 18 -1.027 13.657 -1.735 102 2HD PRO 18 2HD PRO 18 -1.317 11.400 -2.458 103 H GLY 19 H GLY 19 3.327 12.363 0.147 104 1HA GLY 19 1HA GLY 19 4.190 12.709 2.266 105 2HA GLY 19 2HA GLY 19 2.722 12.048 3.000 106 H ASN 20 H ASN 20 4.644 10.485 0.494 107 HA ASN 20 HA ASN 20 5.166 8.246 0.370 108 2HB ASN 20 2HB ASN 20 7.505 8.053 1.152 109 1HD2 ASN 20 1HD2 ASN 20 9.295 9.330 0.051 110 2HD2 ASN 20 2HD2 ASN 20 8.825 10.216 -1.389 111 HA PRO 21 HA PRO 21 3.850 6.229 4.313 112 2HB PRO 21 2HB PRO 21 1.573 6.498 3.950 113 2HG PRO 21 2HG PRO 21 0.717 6.931 1.719 114 2HD PRO 21 2HD PRO 21 2.303 8.577 2.270 115 HA PRO 22 HA PRO 22 6.050 2.909 2.124 116 2HB PRO 22 2HB PRO 22 7.191 2.760 4.170 117 2HG PRO 22 2HG PRO 22 6.012 2.712 6.272 118 2HD PRO 22 2HD PRO 22 5.471 4.761 5.232 119 H CYS 23 H CYS 23 5.845 0.358 2.055 120 HA CYS 23 HA CYS 23 3.000 -0.472 1.817 121 2HB CYS 23 2HB CYS 23 3.844 -2.561 1.002 122 H ARG 24 H ARG 24 2.103 -1.672 3.426 123 HA ARG 24 HA ARG 24 3.722 -3.058 5.484 124 2HB ARG 24 2HB ARG 24 0.782 -3.340 4.718 125 2HG ARG 24 2HG ARG 24 2.441 -4.365 7.076 126 2HD ARG 24 2HD ARG 24 -0.539 -4.621 6.495 127 HE ARG 24 HE ARG 24 1.120 -6.319 8.003 128 1HH1 ARG 24 1HH1 ARG 24 -1.802 -4.425 8.494 129 2HH1 ARG 24 2HH1 ARG 24 -2.457 -5.431 9.750 130 1HH2 ARG 24 1HH2 ARG 24 0.297 -7.700 9.668 131 2HH2 ARG 24 2HH2 ARG 24 -1.222 -7.352 10.425 132 H ASN 25 H ASN 25 5.132 -3.651 3.737 133 HA ASN 25 HA ASN 25 5.651 -4.722 1.674 134 2HB ASN 25 2HB ASN 25 5.608 -6.727 3.948 135 1HD2 ASN 25 1HD2 ASN 25 7.217 -8.465 3.739 136 2HD2 ASN 25 2HD2 ASN 25 7.731 -8.962 2.136 137 H GLY 26 H GLY 26 3.948 -4.824 0.132 138 1HA GLY 26 1HA GLY 26 2.927 -6.553 -1.253 139 2HA GLY 26 2HA GLY 26 2.253 -7.305 0.200 140 H PHE 27 H PHE 27 1.587 -4.805 1.573 141 HA PHE 27 HA PHE 27 -0.630 -3.811 -0.147 142 2HB PHE 27 2HB PHE 27 -2.113 -3.946 1.775 143 HD1 PHE 27 HD1 PHE 27 -2.777 -5.365 -0.287 144 HD2 PHE 27 HD2 PHE 27 -0.206 -6.872 2.819 145 HE1 PHE 27 HE1 PHE 27 -3.111 -7.684 -1.124 146 HE2 PHE 27 HE2 PHE 27 -0.567 -9.181 2.003 147 HZ PHE 27 HZ PHE 27 -2.022 -9.593 0.033 148 H CYS 28 H CYS 28 -1.365 -1.729 0.252 149 HA CYS 28 HA CYS 28 0.679 0.186 0.798 150 2HB CYS 28 2HB CYS 28 -2.008 1.275 1.131 151 H ALA 29 H ALA 29 1.267 1.305 2.754 152 HA ALA 29 HA ALA 29 -0.055 0.573 5.237 153 1HB ALA 29 1HB ALA 29 1.758 2.932 4.600 154 2HB ALA 29 2HB ALA 29 1.250 2.398 6.215 155 3HB ALA 29 3HB ALA 29 2.261 1.339 5.213 156 H CYS 30 H CYS 30 -0.039 3.591 3.269 157 HA CYS 30 HA CYS 30 -2.258 4.828 4.615 158 2HB CYS 30 2HB CYS 30 -1.095 5.273 1.850 159 H THR 31 H THR 31 -4.031 3.551 4.825 160 HA THR 31 HA THR 31 -4.799 1.674 2.863 161 HB THR 31 HB THR 31 -6.582 2.378 5.173 162 HG1 THR 31 HG1 THR 31 -3.845 1.661 5.469 163 1HG2 THR 31 1HG2 THR 31 -5.230 -0.219 4.305 164 2HG2 THR 31 2HG2 THR 31 -6.466 -0.038 5.565 165 3HG2 THR 31 3HG2 THR 31 -6.883 0.275 3.868 Start of MODEL 15 1 1H THR 1 1H THR 1 -8.496 -1.358 8.523 2 HA THR 1 HA THR 1 -10.812 -2.889 9.425 3 HB THR 1 HB THR 1 -11.679 -1.895 7.162 4 HG1 THR 1 HG1 THR 1 -10.449 -0.047 6.534 5 1HG2 THR 1 1HG2 THR 1 -10.852 0.018 9.395 6 2HG2 THR 1 2HG2 THR 1 -12.117 0.308 8.183 7 3HG2 THR 1 3HG2 THR 1 -12.320 -0.982 9.382 8 HA PRO 2 HA PRO 2 -9.572 -6.303 6.829 9 2HB PRO 2 2HB PRO 2 -11.336 -7.421 7.843 10 2HG PRO 2 2HG PRO 2 -13.515 -6.416 8.057 11 2HD PRO 2 2HD PRO 2 -11.951 -5.018 9.169 12 H PHE 3 H PHE 3 -8.802 -4.419 5.376 13 HA PHE 3 HA PHE 3 -9.677 -5.024 2.674 14 2HB PHE 3 2HB PHE 3 -9.839 -2.184 3.777 15 HD1 PHE 3 HD1 PHE 3 -11.191 -4.153 0.852 16 HD2 PHE 3 HD2 PHE 3 -9.027 -0.648 2.145 17 HE1 PHE 3 HE1 PHE 3 -10.995 -3.401 -1.501 18 HE2 PHE 3 HE2 PHE 3 -8.925 0.142 -0.199 19 HZ PHE 3 HZ PHE 3 -9.857 -1.255 -2.032 20 H ALA 4 H ALA 4 -8.075 -3.949 1.119 21 HA ALA 4 HA ALA 4 -5.510 -3.151 2.263 22 1HB ALA 4 1HB ALA 4 -5.804 -5.940 1.066 23 2HB ALA 4 2HB ALA 4 -4.283 -5.136 1.516 24 3HB ALA 4 3HB ALA 4 -5.459 -5.559 2.765 25 H ILE 5 H ILE 5 -5.139 -1.547 0.867 26 HA ILE 5 HA ILE 5 -5.417 -1.770 -2.050 27 HB ILE 5 HB ILE 5 -4.073 0.257 -0.213 28 2HG1 ILE 5 2HG1 ILE 5 -6.532 0.142 0.032 29 1HG2 ILE 5 1HG2 ILE 5 -4.649 0.471 -3.205 30 2HG2 ILE 5 2HG2 ILE 5 -3.918 1.725 -2.177 31 3HG2 ILE 5 3HG2 ILE 5 -3.040 0.245 -2.489 32 1HD1 ILE 5 1HD1 ILE 5 -5.375 2.341 0.233 33 2HD1 ILE 5 2HD1 ILE 5 -5.798 2.675 -1.466 34 3HD1 ILE 5 3HD1 ILE 5 -7.074 2.433 -0.267 35 H LYS 6 H LYS 6 -3.588 -2.239 -3.428 36 HA LYS 6 HA LYS 6 -1.606 -3.955 -2.132 37 2HB LYS 6 2HB LYS 6 -0.940 -3.915 -4.788 38 2HG LYS 6 2HG LYS 6 -1.564 -5.898 -3.221 39 2HD LYS 6 2HD LYS 6 -3.555 -7.086 -3.857 40 2HE LYS 6 2HE LYS 6 -4.635 -4.290 -3.350 41 1HZ LYS 6 1HZ LYS 6 -6.089 -5.371 -1.916 42 2HZ LYS 6 2HZ LYS 6 -6.264 -6.010 -3.431 43 3HZ LYS 6 3HZ LYS 6 -5.486 -6.870 -2.250 44 H CYS 7 H CYS 7 0.702 -3.811 -2.580 45 HA CYS 7 HA CYS 7 1.874 -1.345 -3.610 46 2HB CYS 7 2HB CYS 7 2.090 -2.035 -0.647 47 H ALA 8 H ALA 8 3.714 -2.094 -4.674 48 HA ALA 8 HA ALA 8 5.052 -4.574 -3.637 49 1HB ALA 8 1HB ALA 8 6.100 -4.640 -5.846 50 2HB ALA 8 2HB ALA 8 4.330 -4.654 -5.990 51 3HB ALA 8 3HB ALA 8 5.239 -3.165 -6.333 52 H THR 9 H THR 9 5.408 -1.187 -4.578 53 HA THR 9 HA THR 9 8.091 -0.965 -3.285 54 HB THR 9 HB THR 9 8.498 0.756 -5.057 55 HG1 THR 9 HG1 THR 9 5.948 -0.154 -5.985 56 1HG2 THR 9 1HG2 THR 9 9.314 -1.575 -5.364 57 2HG2 THR 9 2HG2 THR 9 7.813 -1.978 -6.229 58 3HG2 THR 9 3HG2 THR 9 8.929 -0.776 -6.902 59 H ASP 10 H ASP 10 8.392 0.986 -2.129 60 HA ASP 10 HA ASP 10 6.428 2.345 -0.723 61 2HB ASP 10 2HB ASP 10 8.705 2.702 -0.182 62 H ALA 11 H ALA 11 7.931 3.562 -3.735 63 HA ALA 11 HA ALA 11 6.450 5.459 -4.712 64 1HB ALA 11 1HB ALA 11 6.771 4.591 -6.974 65 2HB ALA 11 2HB ALA 11 8.204 4.304 -5.963 66 3HB ALA 11 3HB ALA 11 7.089 2.971 -6.326 67 H ASP 12 H ASP 12 5.052 2.083 -4.805 68 HA ASP 12 HA ASP 12 2.752 2.774 -6.354 69 2HB ASP 12 2HB ASP 12 1.720 0.757 -5.304 70 H CYS 13 H CYS 13 3.252 2.503 -2.852 71 HA CYS 13 HA CYS 13 0.562 3.319 -2.158 72 2HB CYS 13 2HB CYS 13 3.099 3.167 -0.475 73 H SER 14 H SER 14 3.733 4.862 -2.180 74 HA SER 14 HA SER 14 2.934 7.526 -1.437 75 2HB SER 14 2HB SER 14 5.425 6.508 -2.865 76 HG SER 14 HG SER 14 5.164 8.745 -2.828 77 H ARG 15 H ARG 15 1.166 6.930 -3.356 78 HA ARG 15 HA ARG 15 1.474 8.736 -5.570 79 2HB ARG 15 2HB ARG 15 1.820 5.757 -6.087 80 2HG ARG 15 2HG ARG 15 1.779 7.910 -8.210 81 2HD ARG 15 2HD ARG 15 1.570 4.856 -8.307 82 HE ARG 15 HE ARG 15 1.063 5.393 -10.462 83 1HH1 ARG 15 1HH1 ARG 15 3.748 7.397 -9.408 84 2HH1 ARG 15 2HH1 ARG 15 4.234 7.913 -10.996 85 1HH2 ARG 15 1HH2 ARG 15 1.637 6.059 -12.607 86 2HH2 ARG 15 2HH2 ARG 15 2.964 7.146 -12.865 87 H LYS 16 H LYS 16 0.048 5.529 -4.637 88 HA LYS 16 HA LYS 16 -2.611 6.230 -5.392 89 2HB LYS 16 2HB LYS 16 -2.161 4.433 -3.018 90 2HG LYS 16 2HG LYS 16 -3.621 2.926 -4.259 91 2HD LYS 16 2HD LYS 16 -4.797 5.717 -4.603 92 2HE LYS 16 2HE LYS 16 -6.124 3.055 -3.950 93 1HZ LYS 16 1HZ LYS 16 -7.268 5.710 -4.538 94 2HZ LYS 16 2HZ LYS 16 -8.125 4.327 -4.306 95 3HZ LYS 16 3HZ LYS 16 -7.269 4.981 -3.063 96 H CYS 17 H CYS 17 -0.674 6.829 -2.448 97 HA CYS 17 HA CYS 17 -2.652 8.820 -1.519 98 2HB CYS 17 2HB CYS 17 -1.684 6.343 -0.135 99 HA PRO 18 HA PRO 18 1.152 11.078 -1.333 100 2HB PRO 18 2HB PRO 18 -0.285 12.910 -1.572 101 2HG PRO 18 2HG PRO 18 -2.250 13.157 -0.184 102 2HD PRO 18 2HD PRO 18 -2.435 11.142 -1.422 103 H GLY 19 H GLY 19 2.600 12.300 0.309 104 1HA GLY 19 1HA GLY 19 3.637 12.570 2.329 105 2HA GLY 19 2HA GLY 19 2.336 11.679 3.123 106 H ASN 20 H ASN 20 3.757 9.972 0.519 107 HA ASN 20 HA ASN 20 4.696 7.952 0.481 108 2HB ASN 20 2HB ASN 20 6.941 9.419 1.899 109 1HD2 ASN 20 1HD2 ASN 20 9.048 8.909 0.478 110 2HD2 ASN 20 2HD2 ASN 20 9.272 7.199 0.142 111 HA PRO 21 HA PRO 21 4.165 5.987 4.578 112 2HB PRO 21 2HB PRO 21 1.906 6.219 4.886 113 2HG PRO 21 2HG PRO 21 0.501 6.915 3.115 114 2HD PRO 21 2HD PRO 21 2.210 8.463 2.941 115 HA PRO 22 HA PRO 22 5.970 2.987 1.773 116 2HB PRO 22 2HB PRO 22 7.534 2.884 3.523 117 2HG PRO 22 2HG PRO 22 6.838 2.547 5.817 118 2HD PRO 22 2HD PRO 22 5.931 4.588 5.031 119 H CYS 23 H CYS 23 6.082 0.381 1.613 120 HA CYS 23 HA CYS 23 3.345 -0.648 1.530 121 2HB CYS 23 2HB CYS 23 4.273 -2.713 0.792 122 H ARG 24 H ARG 24 2.398 -1.497 3.260 123 HA ARG 24 HA ARG 24 3.777 -3.015 5.384 124 2HB ARG 24 2HB ARG 24 0.876 -2.946 4.438 125 2HG ARG 24 2HG ARG 24 2.040 -3.987 7.057 126 2HD ARG 24 2HD ARG 24 -0.739 -4.177 5.796 127 HE ARG 24 HE ARG 24 -0.867 -5.913 7.253 128 1HH1 ARG 24 1HH1 ARG 24 0.754 -3.244 8.872 129 2HH1 ARG 24 2HH1 ARG 24 0.616 -3.895 10.475 130 1HH2 ARG 24 1HH2 ARG 24 -1.054 -6.848 9.363 131 2HH2 ARG 24 2HH2 ARG 24 -0.420 -6.022 10.747 132 H ASN 25 H ASN 25 5.168 -3.851 3.664 133 HA ASN 25 HA ASN 25 5.613 -5.081 1.704 134 2HB ASN 25 2HB ASN 25 5.191 -7.014 4.004 135 1HD2 ASN 25 1HD2 ASN 25 6.685 -8.899 3.915 136 2HD2 ASN 25 2HD2 ASN 25 7.187 -9.493 2.341 137 H GLY 26 H GLY 26 3.920 -4.917 0.150 138 1HA GLY 26 1HA GLY 26 2.732 -6.463 -1.309 139 2HA GLY 26 2HA GLY 26 1.969 -7.199 0.102 140 H PHE 27 H PHE 27 1.629 -4.576 1.496 141 HA PHE 27 HA PHE 27 -0.647 -3.536 -0.104 142 2HB PHE 27 2HB PHE 27 -2.028 -3.696 1.861 143 HD1 PHE 27 HD1 PHE 27 -2.425 -5.364 -0.172 144 HD2 PHE 27 HD2 PHE 27 0.007 -6.355 3.227 145 HE1 PHE 27 HE1 PHE 27 -2.537 -7.775 -0.790 146 HE2 PHE 27 HE2 PHE 27 -0.102 -8.746 2.616 147 HZ PHE 27 HZ PHE 27 -1.389 -9.466 0.616 148 H CYS 28 H CYS 28 -1.276 -1.376 0.262 149 HA CYS 28 HA CYS 28 0.985 0.367 0.845 150 2HB CYS 28 2HB CYS 28 -1.874 0.789 -0.052 151 H ALA 29 H ALA 29 1.549 1.098 2.878 152 HA ALA 29 HA ALA 29 -0.336 0.676 5.073 153 1HB ALA 29 1HB ALA 29 2.437 1.921 5.131 154 2HB ALA 29 2HB ALA 29 1.529 1.231 6.489 155 3HB ALA 29 3HB ALA 29 2.126 0.177 5.197 156 H CYS 30 H CYS 30 -1.383 2.633 3.280 157 HA CYS 30 HA CYS 30 -0.894 5.281 4.572 158 2HB CYS 30 2HB CYS 30 -2.609 4.481 2.201 159 H THR 31 H THR 31 -3.636 3.031 3.919 160 HA THR 31 HA THR 31 -4.819 3.633 6.526 161 HB THR 31 HB THR 31 -7.070 3.972 5.451 162 HG1 THR 31 HG1 THR 31 -6.974 4.707 3.239 163 1HG2 THR 31 1HG2 THR 31 -6.838 6.331 4.987 164 2HG2 THR 31 2HG2 THR 31 -5.731 5.917 6.308 165 3HG2 THR 31 3HG2 THR 31 -5.106 6.164 4.665
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