NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3502 | 1dsq | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.270 0.561 -0.275 3 1HB LYS 27 2HB LYS 27 2.373 -1.319 -1.816 4 2HB LYS 27 3HB LYS 27 1.771 -1.834 -0.253 5 1HG LYS 27 2HG LYS 27 -0.241 -2.471 -1.118 6 2HG LYS 27 3HG LYS 27 -0.422 -0.976 -2.014 7 1HD LYS 27 2HD LYS 27 0.535 -1.839 -3.941 8 2HD LYS 27 3HD LYS 27 1.649 -2.868 -3.061 9 1HE LYS 27 2HE LYS 27 -0.540 -4.194 -2.360 10 2HE LYS 27 3HE LYS 27 -1.264 -3.379 -3.731 11 1HZ LYS 27 1HZ LYS 27 1.262 -4.451 -4.389 12 2HZ LYS 27 2HZ LYS 27 0.268 -5.614 -3.817 13 3HZ LYS 27 3HZ LYS 27 -0.186 -4.710 -5.099 14 H GLY 28 HN GLY 28 2.955 1.785 -2.014 15 1HA GLY 28 1HA GLY 28 0.982 2.469 -4.073 16 2HA GLY 28 2HA GLY 28 1.657 3.766 -3.106 17 HA PRO 29 HA PRO 29 4.577 3.273 -6.482 18 1HB PRO 29 2HB PRO 29 4.963 5.934 -6.968 19 2HB PRO 29 3HB PRO 29 3.760 4.972 -7.803 20 1HG PRO 29 2HG PRO 29 3.373 6.967 -5.655 21 2HG PRO 29 3HG PRO 29 2.193 6.321 -6.779 22 1HD PRO 29 2HD PRO 29 2.506 5.607 -4.018 23 2HD PRO 29 3HD PRO 29 1.404 4.880 -5.171 24 H VAL 30 HN VAL 30 6.634 2.740 -6.132 25 HA VAL 30 HA VAL 30 7.825 4.012 -3.798 26 HB VAL 30 HB VAL 30 7.778 1.580 -3.924 27 1HG1 VAL 30 1HG1 VAL 30 9.192 2.035 -6.551 28 2HG1 VAL 30 2HG1 VAL 30 9.397 0.515 -5.645 29 3HG1 VAL 30 3HG1 VAL 30 7.778 1.013 -6.194 30 1HG2 VAL 30 1HG2 VAL 30 9.961 1.208 -3.183 31 2HG2 VAL 30 2HG2 VAL 30 10.660 2.366 -4.342 32 3HG2 VAL 30 3HG2 VAL 30 9.742 2.958 -2.935 33 H CYS 31 HN CYS 31 9.596 5.369 -3.890 34 HA CYS 31 HA CYS 31 10.263 6.289 -6.554 35 1HB CYS 31 2HB CYS 31 9.641 7.938 -4.811 36 2HB CYS 31 3HB CYS 31 11.014 7.439 -3.845 37 H PHE 32 HN PHE 32 11.976 5.302 -7.566 38 HA PHE 32 HA PHE 32 13.877 3.832 -5.980 39 1HB PHE 32 2HB PHE 32 12.707 3.661 -8.526 40 2HB PHE 32 3HB PHE 32 14.285 4.316 -8.915 41 HD1 PHE 32 HD1 PHE 32 12.619 1.496 -7.166 42 HD2 PHE 32 HD2 PHE 32 16.161 2.915 -9.024 43 HE1 PHE 32 HE1 PHE 32 13.604 -0.809 -7.047 44 HE2 PHE 32 HE2 PHE 32 17.146 0.609 -8.905 45 HZ PHE 32 HZ PHE 32 15.857 -1.225 -7.918 46 H SER 33 HN SER 33 13.610 6.998 -6.212 47 HA SER 33 HA SER 33 16.384 7.431 -6.982 48 1HB SER 33 2HB SER 33 14.041 8.806 -7.697 49 2HB SER 33 3HB SER 33 14.775 9.845 -6.493 50 HG SER 33 HG SER 33 16.845 9.299 -7.900 51 H CYS 34 HN CYS 34 13.859 8.170 -4.496 52 HA CYS 34 HA CYS 34 16.014 8.980 -2.696 53 1HB CYS 34 2HB CYS 34 14.177 9.973 -1.315 54 2HB CYS 34 3HB CYS 34 14.368 10.706 -2.896 55 H GLY 35 HN GLY 35 13.286 6.741 -3.286 56 1HA GLY 35 1HA GLY 35 13.249 4.553 -2.491 57 2HA GLY 35 2HA GLY 35 14.319 4.992 -1.175 58 H LYS 36 HN LYS 36 11.568 7.080 -2.012 59 HA LYS 36 HA LYS 36 10.346 6.301 0.534 60 1HB LYS 36 2HB LYS 36 10.975 8.824 -0.642 61 2HB LYS 36 3HB LYS 36 9.229 8.705 -0.557 62 1HG LYS 36 2HG LYS 36 10.688 7.747 1.871 63 2HG LYS 36 3HG LYS 36 10.821 9.465 1.549 64 1HD LYS 36 2HD LYS 36 8.142 9.158 1.142 65 2HD LYS 36 3HD LYS 36 8.400 7.850 2.278 66 1HE LYS 36 2HE LYS 36 9.334 10.718 2.766 67 2HE LYS 36 3HE LYS 36 7.811 10.081 3.353 68 1HZ LYS 36 1HZ LYS 36 10.388 8.822 3.965 69 2HZ LYS 36 2HZ LYS 36 9.702 9.952 4.923 70 3HZ LYS 36 3HZ LYS 36 8.945 8.528 4.673 71 H THR 37 HN THR 37 7.761 7.066 0.264 72 HA THR 37 HA THR 37 6.819 5.587 -2.103 73 HB THR 37 HB THR 37 5.290 4.382 -0.705 74 HG1 THR 37 HG1 THR 37 4.616 6.252 0.545 75 1HG2 THR 37 1HG2 THR 37 6.616 3.329 1.004 76 2HG2 THR 37 2HG2 THR 37 7.793 3.810 -0.240 77 3HG2 THR 37 3HG2 THR 37 7.609 4.788 1.235 78 H GLY 38 HN GLY 38 4.906 6.296 -3.085 79 1HA GLY 38 1HA GLY 38 2.948 7.727 -2.906 80 2HA GLY 38 2HA GLY 38 3.954 8.925 -2.116 81 H HIS 39 HN HIS 39 5.759 7.288 -4.527 82 HA HIS 39 HA HIS 39 4.864 8.529 -6.840 83 1HB HIS 39 2HB HIS 39 6.412 10.352 -7.132 84 2HB HIS 39 3HB HIS 39 5.455 10.617 -5.688 85 HD1 HIS 39 HD1 HIS 39 6.829 9.519 -3.398 86 HD2 HIS 39 HD2 HIS 39 9.030 10.928 -6.679 87 HE1 HIS 39 HE1 HIS 39 9.183 9.992 -2.530 88 H ILE 40 HN ILE 40 6.330 8.100 -8.668 89 HA ILE 40 HA ILE 40 8.130 5.901 -7.990 90 HB ILE 40 HB ILE 40 6.814 6.724 -10.579 91 1HG1 ILE 40 2HG1 ILE 40 6.079 4.121 -9.887 92 2HG1 ILE 40 3HG1 ILE 40 6.030 4.991 -8.367 93 1HG2 ILE 40 1HG2 ILE 40 7.712 4.453 -11.345 94 2HG2 ILE 40 2HG2 ILE 40 8.863 5.808 -11.255 95 3HG2 ILE 40 3HG2 ILE 40 8.841 4.573 -9.974 96 1HD1 ILE 40 1HD1 ILE 40 3.914 4.999 -9.952 97 2HD1 ILE 40 2HD1 ILE 40 4.386 6.496 -9.112 98 3HD1 ILE 40 3HD1 ILE 40 4.810 6.264 -10.825 99 H LYS 41 HN LYS 41 10.208 5.754 -9.247 100 HA LYS 41 HA LYS 41 11.789 7.933 -8.790 101 1HB LYS 41 2HB LYS 41 12.994 6.012 -9.063 102 2HB LYS 41 3HB LYS 41 12.016 5.438 -10.399 103 1HG LYS 41 2HG LYS 41 14.190 6.056 -11.289 104 2HG LYS 41 3HG LYS 41 13.028 7.233 -11.864 105 1HD LYS 41 2HD LYS 41 13.705 8.820 -10.081 106 2HD LYS 41 3HD LYS 41 14.812 7.635 -9.416 107 1HE LYS 41 2HE LYS 41 15.387 7.914 -12.238 108 2HE LYS 41 3HE LYS 41 15.292 9.519 -11.542 109 1HZ LYS 41 1HZ LYS 41 17.251 7.517 -11.139 110 2HZ LYS 41 2HZ LYS 41 17.326 9.118 -10.822 111 3HZ LYS 41 3HZ LYS 41 16.688 8.096 -9.719 112 H ARG 42 HN ARG 42 10.297 6.920 -11.942 113 HA ARG 42 HA ARG 42 11.272 9.037 -13.377 114 1HB ARG 42 2HB ARG 42 10.031 6.907 -14.188 115 2HB ARG 42 3HB ARG 42 8.539 7.754 -13.833 116 1HG ARG 42 2HG ARG 42 8.807 8.336 -16.073 117 2HG ARG 42 3HG ARG 42 9.618 9.689 -15.311 118 1HD ARG 42 2HD ARG 42 11.660 9.080 -16.143 119 2HD ARG 42 3HD ARG 42 11.437 7.399 -15.705 120 HE ARG 42 HE ARG 42 10.949 8.572 -18.308 121 1HH1 ARG 42 2HH2 ARG 42 9.815 6.056 -16.125 122 2HH1 ARG 42 1HH2 ARG 42 9.184 5.061 -17.394 123 1HH2 ARG 42 2HH1 ARG 42 10.116 7.260 -19.983 124 2HH2 ARG 42 1HH1 ARG 42 9.356 5.751 -19.603 125 H ASP 43 HN ASP 43 8.559 8.794 -11.102 126 HA ASP 43 HA ASP 43 7.311 11.174 -11.989 127 1HB ASP 43 2HB ASP 43 7.038 9.804 -9.277 128 2HB ASP 43 3HB ASP 43 5.880 10.891 -10.021 129 H CYS 44 HN CYS 44 9.912 10.232 -9.792 130 HA CYS 44 HA CYS 44 9.805 12.625 -8.234 131 1HB CYS 44 2HB CYS 44 10.701 10.271 -7.549 132 2HB CYS 44 3HB CYS 44 12.177 10.767 -8.352 133 H LYS 45 HN LYS 45 10.749 14.570 -8.786 134 HA LYS 45 HA LYS 45 11.664 16.067 -10.167 135 1HB LYS 45 2HB LYS 45 14.131 15.849 -10.321 136 2HB LYS 45 3HB LYS 45 13.506 15.585 -8.704 137 1HG LYS 45 2HG LYS 45 13.640 13.127 -9.022 138 2HG LYS 45 3HG LYS 45 14.174 13.347 -10.676 139 1HD LYS 45 2HD LYS 45 16.324 13.818 -10.052 140 2HD LYS 45 3HD LYS 45 15.817 14.865 -8.741 141 1HE LYS 45 2HE LYS 45 15.340 11.915 -8.383 142 2HE LYS 45 3HE LYS 45 17.004 12.463 -8.312 143 1HZ LYS 45 1HZ LYS 45 16.031 14.223 -6.740 144 2HZ LYS 45 2HZ LYS 45 14.782 13.184 -6.575 145 3HZ LYS 45 3HZ LYS 45 16.294 12.715 -6.174 146 H GLU 46 HN GLU 46 10.036 15.034 -11.819 147 HA GLU 46 HA GLU 46 11.265 13.501 -13.864 148 1HB GLU 46 2HB GLU 46 9.059 13.854 -15.039 149 2HB GLU 46 3HB GLU 46 8.911 13.161 -13.436 150 1HG GLU 46 2HG GLU 46 8.000 15.106 -12.515 151 2HG GLU 46 3HG GLU 46 8.825 16.162 -13.644 152 H GLU 47 HN GLU 47 10.633 16.937 -13.202 153 HA GLU 47 HA GLU 47 11.720 17.539 -15.841 154 1HB GLU 47 2HB GLU 47 10.589 19.715 -15.682 155 2HB GLU 47 3HB GLU 47 9.432 18.417 -15.458 156 1HG GLU 47 2HG GLU 47 9.190 18.834 -13.154 157 2HG GLU 47 3HG GLU 47 10.774 19.569 -13.009 Start of MODEL 2 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.409 1.191 -1.225 3 1HB LYS 27 2HB LYS 27 2.605 -0.896 0.610 4 2HB LYS 27 3HB LYS 27 3.414 -0.338 -0.840 5 1HG LYS 27 2HG LYS 27 2.408 1.922 0.745 6 2HG LYS 27 3HG LYS 27 3.459 0.897 1.702 7 1HD LYS 27 2HD LYS 27 4.840 1.059 -0.717 8 2HD LYS 27 3HD LYS 27 4.121 2.653 -0.594 9 1HE LYS 27 2HE LYS 27 5.076 2.131 2.013 10 2HE LYS 27 3HE LYS 27 6.322 1.482 0.966 11 1HZ LYS 27 1HZ LYS 27 6.946 3.616 0.968 12 2HZ LYS 27 2HZ LYS 27 5.852 3.766 -0.236 13 3HZ LYS 27 3HZ LYS 27 5.457 4.208 1.285 14 H GLY 28 HN GLY 28 -0.679 0.326 -2.353 15 1HA GLY 28 1HA GLY 28 0.160 -1.978 -3.927 16 2HA GLY 28 2HA GLY 28 -1.330 -2.158 -3.021 17 HA PRO 29 HA PRO 29 -3.434 0.113 -6.058 18 1HB PRO 29 2HB PRO 29 -5.410 1.395 -4.672 19 2HB PRO 29 3HB PRO 29 -5.489 -0.302 -5.107 20 1HG PRO 29 2HG PRO 29 -4.935 0.912 -2.469 21 2HG PRO 29 3HG PRO 29 -5.433 -0.726 -2.840 22 1HD PRO 29 2HD PRO 29 -2.793 0.146 -2.134 23 2HD PRO 29 3HD PRO 29 -3.269 -1.470 -2.618 24 H VAL 30 HN VAL 30 -3.055 1.809 -7.354 25 HA VAL 30 HA VAL 30 -1.898 4.101 -5.956 26 HB VAL 30 HB VAL 30 -0.569 2.968 -7.684 27 1HG1 VAL 30 1HG1 VAL 30 -1.379 2.348 -9.673 28 2HG1 VAL 30 2HG1 VAL 30 -2.989 2.827 -9.087 29 3HG1 VAL 30 3HG1 VAL 30 -1.995 3.984 -10.006 30 1HG2 VAL 30 1HG2 VAL 30 -0.388 5.439 -7.203 31 2HG2 VAL 30 2HG2 VAL 30 0.181 4.937 -8.812 32 3HG2 VAL 30 3HG2 VAL 30 -1.408 5.722 -8.634 33 H CYS 31 HN CYS 31 -2.802 6.150 -6.066 34 HA CYS 31 HA CYS 31 -5.516 6.189 -7.087 35 1HB CYS 31 2HB CYS 31 -5.079 6.951 -4.769 36 2HB CYS 31 3HB CYS 31 -4.044 8.226 -5.382 37 H PHE 32 HN PHE 32 -5.782 6.865 -9.185 38 HA PHE 32 HA PHE 32 -3.684 8.386 -10.440 39 1HB PHE 32 2HB PHE 32 -5.818 6.557 -11.117 40 2HB PHE 32 3HB PHE 32 -6.196 8.061 -11.934 41 HD1 PHE 32 HD1 PHE 32 -4.714 5.031 -12.427 42 HD2 PHE 32 HD2 PHE 32 -3.890 9.154 -13.003 43 HE1 PHE 32 HE1 PHE 32 -3.088 4.451 -14.249 44 HE2 PHE 32 HE2 PHE 32 -2.264 8.574 -14.825 45 HZ PHE 32 HZ PHE 32 -1.882 6.229 -15.426 46 H SER 33 HN SER 33 -5.759 9.411 -8.250 47 HA SER 33 HA SER 33 -6.709 11.662 -9.833 48 1HB SER 33 2HB SER 33 -8.152 10.056 -8.164 49 2HB SER 33 3HB SER 33 -7.652 11.282 -7.017 50 HG SER 33 HG SER 33 -8.704 12.130 -9.539 51 H CYS 34 HN CYS 34 -5.076 10.701 -6.750 52 HA CYS 34 HA CYS 34 -4.177 13.469 -6.481 53 1HB CYS 34 2HB CYS 34 -3.613 12.822 -4.132 54 2HB CYS 34 3HB CYS 34 -5.323 12.742 -4.508 55 H GLY 35 HN GLY 35 -3.242 10.034 -6.832 56 1HA GLY 35 1HA GLY 35 -1.300 9.355 -7.918 57 2HA GLY 35 2HA GLY 35 -0.535 10.887 -7.549 58 H LYS 36 HN LYS 36 -2.376 9.169 -5.044 59 HA LYS 36 HA LYS 36 0.160 8.692 -3.661 60 1HB LYS 36 2HB LYS 36 -2.240 9.922 -2.856 61 2HB LYS 36 3HB LYS 36 -2.220 8.376 -2.033 62 1HG LYS 36 2HG LYS 36 0.306 8.983 -1.504 63 2HG LYS 36 3HG LYS 36 -0.189 10.622 -1.881 64 1HD LYS 36 2HD LYS 36 -2.042 9.167 -0.056 65 2HD LYS 36 3HD LYS 36 -0.442 9.435 0.604 66 1HE LYS 36 2HE LYS 36 -1.968 11.704 -0.725 67 2HE LYS 36 3HE LYS 36 -2.269 11.288 0.949 68 1HZ LYS 36 1HZ LYS 36 0.417 11.378 0.795 69 2HZ LYS 36 2HZ LYS 36 -0.028 12.600 -0.192 70 3HZ LYS 36 3HZ LYS 36 -0.537 12.578 1.359 71 H THR 37 HN THR 37 -0.416 6.727 -1.893 72 HA THR 37 HA THR 37 -1.397 4.508 -3.562 73 HB THR 37 HB THR 37 0.515 3.206 -2.918 74 HG1 THR 37 HG1 THR 37 0.811 5.429 -1.026 75 1HG2 THR 37 1HG2 THR 37 2.522 4.646 -3.327 76 2HG2 THR 37 2HG2 THR 37 1.243 4.984 -4.517 77 3HG2 THR 37 3HG2 THR 37 1.508 6.097 -3.154 78 H GLY 38 HN GLY 38 -2.564 2.879 -2.537 79 1HA GLY 38 1HA GLY 38 -3.158 1.847 -0.412 80 2HA GLY 38 2HA GLY 38 -3.242 3.452 0.285 81 H HIS 39 HN HIS 39 -4.335 3.421 -2.990 82 HA HIS 39 HA HIS 39 -6.918 2.460 -2.684 83 1HB HIS 39 2HB HIS 39 -8.236 4.459 -2.435 84 2HB HIS 39 3HB HIS 39 -7.168 4.287 -1.057 85 HD1 HIS 39 HD1 HIS 39 -4.671 5.680 -1.647 86 HD2 HIS 39 HD2 HIS 39 -8.302 7.057 -3.232 87 HE1 HIS 39 HE1 HIS 39 -4.306 8.133 -2.241 88 H ILE 40 HN ILE 40 -8.217 2.848 -4.639 89 HA ILE 40 HA ILE 40 -6.463 3.580 -6.859 90 HB ILE 40 HB ILE 40 -8.996 1.945 -6.718 91 1HG1 ILE 40 2HG1 ILE 40 -6.930 0.432 -7.813 92 2HG1 ILE 40 3HG1 ILE 40 -6.146 1.324 -6.527 93 1HG2 ILE 40 1HG2 ILE 40 -8.439 1.431 -9.140 94 2HG2 ILE 40 2HG2 ILE 40 -9.109 3.045 -8.804 95 3HG2 ILE 40 3HG2 ILE 40 -7.364 2.848 -9.095 96 1HD1 ILE 40 1HD1 ILE 40 -8.809 -0.046 -6.036 97 2HD1 ILE 40 2HD1 ILE 40 -7.280 -0.953 -5.936 98 3HD1 ILE 40 3HD1 ILE 40 -7.568 0.429 -4.851 99 H LYS 41 HN LYS 41 -7.522 4.756 -8.728 100 HA LYS 41 HA LYS 41 -8.436 7.204 -7.922 101 1HB LYS 41 2HB LYS 41 -9.141 7.479 -10.307 102 2HB LYS 41 3HB LYS 41 -7.496 6.916 -10.090 103 1HG LYS 41 2HG LYS 41 -8.749 4.502 -10.218 104 2HG LYS 41 3HG LYS 41 -9.881 5.445 -11.166 105 1HD LYS 41 2HD LYS 41 -7.783 6.315 -12.461 106 2HD LYS 41 3HD LYS 41 -6.921 4.995 -11.699 107 1HE LYS 41 2HE LYS 41 -9.454 4.040 -12.810 108 2HE LYS 41 3HE LYS 41 -8.527 4.871 -14.043 109 1HZ LYS 41 1HZ LYS 41 -7.718 2.563 -12.441 110 2HZ LYS 41 2HZ LYS 41 -7.766 2.704 -14.068 111 3HZ LYS 41 3HZ LYS 41 -6.610 3.479 -13.214 112 H ARG 42 HN ARG 42 -10.411 4.437 -9.204 113 HA ARG 42 HA ARG 42 -12.824 5.684 -8.921 114 1HB ARG 42 2HB ARG 42 -11.871 2.839 -9.067 115 2HB ARG 42 3HB ARG 42 -13.505 3.066 -8.474 116 1HG ARG 42 2HG ARG 42 -13.805 4.641 -10.562 117 2HG ARG 42 3HG ARG 42 -12.355 3.867 -11.170 118 1HD ARG 42 2HD ARG 42 -13.560 2.058 -11.825 119 2HD ARG 42 3HD ARG 42 -14.105 1.792 -10.180 120 HE ARG 42 HE ARG 42 -15.654 3.934 -11.152 121 1HH1 ARG 42 2HH2 ARG 42 -15.118 0.561 -12.002 122 2HH1 ARG 42 1HH2 ARG 42 -16.700 0.346 -12.673 123 1HH2 ARG 42 2HH1 ARG 42 -17.742 3.649 -12.037 124 2HH2 ARG 42 1HH1 ARG 42 -18.203 2.114 -12.692 125 H ASP 43 HN ASP 43 -10.687 4.187 -6.525 126 HA ASP 43 HA ASP 43 -12.707 3.891 -4.565 127 1HB ASP 43 2HB ASP 43 -9.679 4.041 -4.196 128 2HB ASP 43 3HB ASP 43 -10.826 3.369 -3.054 129 H CYS 44 HN CYS 44 -10.432 6.382 -5.675 130 HA CYS 44 HA CYS 44 -10.602 7.939 -3.287 131 1HB CYS 44 2HB CYS 44 -8.667 7.849 -5.024 132 2HB CYS 44 3HB CYS 44 -9.640 8.971 -5.955 133 H LYS 45 HN LYS 45 -12.516 8.947 -2.771 134 HA LYS 45 HA LYS 45 -13.762 10.598 -4.771 135 1HB LYS 45 2HB LYS 45 -15.964 9.591 -4.616 136 2HB LYS 45 3HB LYS 45 -14.808 8.426 -5.231 137 1HG LYS 45 2HG LYS 45 -15.341 7.006 -3.550 138 2HG LYS 45 3HG LYS 45 -14.763 8.174 -2.379 139 1HD LYS 45 2HD LYS 45 -16.958 8.065 -1.665 140 2HD LYS 45 3HD LYS 45 -17.161 9.313 -2.879 141 1HE LYS 45 2HE LYS 45 -18.810 7.900 -3.648 142 2HE LYS 45 3HE LYS 45 -17.470 7.136 -4.478 143 1HZ LYS 45 1HZ LYS 45 -17.261 5.803 -2.331 144 2HZ LYS 45 2HZ LYS 45 -18.788 6.291 -2.019 145 3HZ LYS 45 3HZ LYS 45 -18.468 5.420 -3.363 146 H GLU 46 HN GLU 46 -12.513 11.844 -2.953 147 HA GLU 46 HA GLU 46 -14.473 12.999 -1.355 148 1HB GLU 46 2HB GLU 46 -13.522 12.412 0.902 149 2HB GLU 46 3HB GLU 46 -14.291 11.062 0.092 150 1HG GLU 46 2HG GLU 46 -11.999 10.349 -0.758 151 2HG GLU 46 3HG GLU 46 -11.291 11.621 0.219 152 H GLU 47 HN GLU 47 -10.946 12.251 -1.671 153 HA GLU 47 HA GLU 47 -10.336 14.888 -2.279 154 1HB GLU 47 2HB GLU 47 -10.818 15.176 0.188 155 2HB GLU 47 3HB GLU 47 -9.498 14.079 0.539 156 1HG GLU 47 2HG GLU 47 -7.858 15.577 -0.402 157 2HG GLU 47 3HG GLU 47 -9.086 16.557 -1.181 Start of MODEL 3 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.244 -0.762 -1.175 3 1HB LYS 27 2HB LYS 27 1.919 1.187 -2.565 4 2HB LYS 27 3HB LYS 27 0.186 1.025 -2.366 5 1HG LYS 27 2HG LYS 27 0.040 3.073 -1.402 6 2HG LYS 27 3HG LYS 27 1.236 2.645 -0.194 7 1HD LYS 27 2HD LYS 27 2.907 3.760 -1.284 8 2HD LYS 27 3HD LYS 27 2.456 3.095 -2.842 9 1HE LYS 27 2HE LYS 27 1.116 4.896 -3.382 10 2HE LYS 27 3HE LYS 27 0.529 5.090 -1.743 11 1HZ LYS 27 1HZ LYS 27 2.603 6.455 -3.005 12 2HZ LYS 27 2HZ LYS 27 1.974 6.713 -1.520 13 3HZ LYS 27 3HZ LYS 27 3.219 5.675 -1.709 14 H GLY 28 HN GLY 28 2.988 -1.703 -0.213 15 1HA GLY 28 1HA GLY 28 5.222 -1.720 0.307 16 2HA GLY 28 2HA GLY 28 5.228 0.026 0.442 17 HA PRO 29 HA PRO 29 5.252 -1.568 4.680 18 1HB PRO 29 2HB PRO 29 7.411 -0.155 5.581 19 2HB PRO 29 3HB PRO 29 7.527 -1.789 4.959 20 1HG PRO 29 2HG PRO 29 8.314 0.748 3.662 21 2HG PRO 29 3HG PRO 29 8.798 -0.887 3.258 22 1HD PRO 29 2HD PRO 29 6.877 0.726 1.868 23 2HD PRO 29 3HD PRO 29 7.276 -0.948 1.536 24 H VAL 30 HN VAL 30 3.909 -0.823 6.204 25 HA VAL 30 HA VAL 30 3.352 2.036 5.975 26 HB VAL 30 HB VAL 30 1.504 0.451 5.709 27 1HG1 VAL 30 1HG1 VAL 30 2.666 -0.713 8.130 28 2HG1 VAL 30 2HG1 VAL 30 0.911 -0.448 8.269 29 3HG1 VAL 30 3HG1 VAL 30 1.559 -1.427 6.932 30 1HG2 VAL 30 1HG2 VAL 30 -0.012 1.442 7.462 31 2HG2 VAL 30 2HG2 VAL 30 1.427 2.204 8.184 32 3HG2 VAL 30 3HG2 VAL 30 0.930 2.627 6.527 33 H CYS 31 HN CYS 31 3.662 3.465 7.678 34 HA CYS 31 HA CYS 31 5.305 2.402 9.820 35 1HB CYS 31 2HB CYS 31 6.106 4.371 8.543 36 2HB CYS 31 3HB CYS 31 4.706 5.283 9.071 37 H PHE 32 HN PHE 32 4.233 1.754 11.655 38 HA PHE 32 HA PHE 32 1.572 2.737 12.141 39 1HB PHE 32 2HB PHE 32 2.901 0.357 12.512 40 2HB PHE 32 3HB PHE 32 3.190 1.068 14.088 41 HD1 PHE 32 HD1 PHE 32 0.258 0.840 11.771 42 HD2 PHE 32 HD2 PHE 32 1.755 0.300 15.704 43 HE1 PHE 32 HE1 PHE 32 -2.010 0.079 12.529 44 HE2 PHE 32 HE2 PHE 32 -0.514 -0.462 16.463 45 HZ PHE 32 HZ PHE 32 -2.369 -0.562 14.867 46 H SER 33 HN SER 33 4.315 4.334 12.473 47 HA SER 33 HA SER 33 3.822 5.118 15.233 48 1HB SER 33 2HB SER 33 6.233 4.756 13.638 49 2HB SER 33 3HB SER 33 6.170 6.396 14.253 50 HG SER 33 HG SER 33 7.067 5.376 15.959 51 H CYS 34 HN CYS 34 4.374 6.348 11.874 52 HA CYS 34 HA CYS 34 3.320 8.928 12.753 53 1HB CYS 34 2HB CYS 34 4.273 9.795 10.610 54 2HB CYS 34 3HB CYS 34 5.472 9.175 11.728 55 H GLY 35 HN GLY 35 2.940 6.129 10.561 56 1HA GLY 35 1HA GLY 35 0.869 5.378 9.810 57 2HA GLY 35 2HA GLY 35 0.192 6.981 10.016 58 H LYS 36 HN LYS 36 3.369 6.566 8.480 59 HA LYS 36 HA LYS 36 2.146 7.443 5.967 60 1HB LYS 36 2HB LYS 36 4.366 8.378 7.451 61 2HB LYS 36 3HB LYS 36 5.029 7.614 6.021 62 1HG LYS 36 2HG LYS 36 4.559 9.608 5.002 63 2HG LYS 36 3HG LYS 36 2.925 8.981 4.900 64 1HD LYS 36 2HD LYS 36 2.317 10.849 6.060 65 2HD LYS 36 3HD LYS 36 2.946 10.020 7.470 66 1HE LYS 36 2HE LYS 36 4.915 11.521 5.750 67 2HE LYS 36 3HE LYS 36 3.823 12.468 6.740 68 1HZ LYS 36 1HZ LYS 36 4.780 11.731 8.614 69 2HZ LYS 36 2HZ LYS 36 5.112 10.239 8.037 70 3HZ LYS 36 3HZ LYS 36 6.075 11.499 7.646 71 H THR 37 HN THR 37 3.940 6.696 4.080 72 HA THR 37 HA THR 37 4.198 3.783 4.432 73 HB THR 37 HB THR 37 3.214 3.452 2.269 74 HG1 THR 37 HG1 THR 37 4.299 5.128 1.123 75 1HG2 THR 37 1HG2 THR 37 1.554 4.412 4.052 76 2HG2 THR 37 2HG2 THR 37 1.709 5.947 3.165 77 3HG2 THR 37 3HG2 THR 37 1.061 4.507 2.345 78 H GLY 38 HN GLY 38 5.998 2.789 3.527 79 1HA GLY 38 1HA GLY 38 7.832 2.998 1.929 80 2HA GLY 38 2HA GLY 38 8.014 4.664 2.440 81 H HIS 39 HN HIS 39 7.095 2.619 5.065 82 HA HIS 39 HA HIS 39 9.532 1.478 5.734 83 1HB HIS 39 2HB HIS 39 10.403 2.968 7.419 84 2HB HIS 39 3HB HIS 39 10.336 3.793 5.874 85 HD1 HIS 39 HD1 HIS 39 7.732 5.107 5.654 86 HD2 HIS 39 HD2 HIS 39 9.586 4.650 9.390 87 HE1 HIS 39 HE1 HIS 39 6.693 6.862 7.187 88 H ILE 40 HN ILE 40 9.438 0.447 7.875 89 HA ILE 40 HA ILE 40 6.655 0.181 8.723 90 HB ILE 40 HB ILE 40 9.082 -1.570 9.113 91 1HG1 ILE 40 2HG1 ILE 40 7.052 -2.986 7.827 92 2HG1 ILE 40 3HG1 ILE 40 6.992 -1.402 7.081 93 1HG2 ILE 40 1HG2 ILE 40 7.709 -1.713 11.098 94 2HG2 ILE 40 2HG2 ILE 40 6.248 -1.955 10.111 95 3HG2 ILE 40 3HG2 ILE 40 7.525 -3.195 10.130 96 1HD1 ILE 40 1HD1 ILE 40 9.690 -2.693 7.502 97 2HD1 ILE 40 2HD1 ILE 40 8.660 -3.252 6.162 98 3HD1 ILE 40 3HD1 ILE 40 9.173 -1.549 6.241 99 H LYS 41 HN LYS 41 6.280 -0.102 11.129 100 HA LYS 41 HA LYS 41 7.037 2.152 12.482 101 1HB LYS 41 2HB LYS 41 6.203 0.979 14.498 102 2HB LYS 41 3HB LYS 41 5.116 0.861 13.129 103 1HG LYS 41 2HG LYS 41 6.270 -1.402 12.599 104 2HG LYS 41 3HG LYS 41 7.005 -1.283 14.186 105 1HD LYS 41 2HD LYS 41 4.922 -1.444 15.313 106 2HD LYS 41 3HD LYS 41 4.006 -0.939 13.907 107 1HE LYS 41 2HE LYS 41 3.583 -3.226 13.839 108 2HE LYS 41 3HE LYS 41 5.015 -3.170 12.831 109 1HZ LYS 41 1HZ LYS 41 5.606 -3.375 15.609 110 2HZ LYS 41 2HZ LYS 41 4.748 -4.645 15.047 111 3HZ LYS 41 3HZ LYS 41 6.175 -4.255 14.357 112 H ARG 42 HN ARG 42 8.418 -1.190 12.836 113 HA ARG 42 HA ARG 42 10.323 -0.490 14.665 114 1HB ARG 42 2HB ARG 42 9.613 -2.791 13.157 115 2HB ARG 42 3HB ARG 42 11.303 -2.521 12.779 116 1HG ARG 42 2HG ARG 42 11.772 -2.357 15.274 117 2HG ARG 42 3HG ARG 42 10.101 -2.791 15.574 118 1HD ARG 42 2HD ARG 42 10.415 -5.004 14.967 119 2HD ARG 42 3HD ARG 42 11.563 -4.609 13.702 120 HE ARG 42 HE ARG 42 12.189 -5.235 16.474 121 1HH1 ARG 42 2HH2 ARG 42 13.299 -3.432 13.664 122 2HH1 ARG 42 1HH2 ARG 42 14.959 -3.435 14.157 123 1HH2 ARG 42 2HH1 ARG 42 14.380 -5.240 17.127 124 2HH2 ARG 42 1HH1 ARG 42 15.577 -4.471 16.140 125 H ASP 43 HN ASP 43 10.160 0.030 11.171 126 HA ASP 43 HA ASP 43 12.944 0.444 10.866 127 1HB ASP 43 2HB ASP 43 10.649 1.368 9.077 128 2HB ASP 43 3HB ASP 43 12.330 1.232 8.604 129 H CYS 44 HN CYS 44 10.051 2.330 11.705 130 HA CYS 44 HA CYS 44 11.256 4.861 11.164 131 1HB CYS 44 2HB CYS 44 8.731 4.237 11.143 132 2HB CYS 44 3HB CYS 44 8.809 4.446 12.881 133 H LYS 45 HN LYS 45 12.673 5.904 12.526 134 HA LYS 45 HA LYS 45 12.938 4.822 15.228 135 1HB LYS 45 2HB LYS 45 14.788 5.754 13.207 136 2HB LYS 45 3HB LYS 45 15.003 6.669 14.685 137 1HG LYS 45 2HG LYS 45 14.658 3.701 14.989 138 2HG LYS 45 3HG LYS 45 16.159 4.241 14.264 139 1HD LYS 45 2HD LYS 45 16.027 5.986 16.364 140 2HD LYS 45 3HD LYS 45 15.144 4.640 17.056 141 1HE LYS 45 2HE LYS 45 17.141 3.161 16.209 142 2HE LYS 45 3HE LYS 45 18.006 4.674 16.030 143 1HZ LYS 45 1HZ LYS 45 16.637 4.158 18.539 144 2HZ LYS 45 2HZ LYS 45 18.048 3.389 18.252 145 3HZ LYS 45 3HZ LYS 45 17.995 5.021 18.260 146 H GLU 46 HN GLU 46 10.999 5.843 16.054 147 HA GLU 46 HA GLU 46 11.585 8.479 16.955 148 1HB GLU 46 2HB GLU 46 10.542 9.037 14.807 149 2HB GLU 46 3HB GLU 46 9.180 7.986 15.147 150 1HG GLU 46 2HG GLU 46 8.480 9.399 17.031 151 2HG GLU 46 3HG GLU 46 9.928 10.377 16.894 152 H GLU 47 HN GLU 47 8.810 6.159 16.513 153 HA GLU 47 HA GLU 47 7.442 5.244 17.925 154 1HB GLU 47 2HB GLU 47 9.780 5.668 19.817 155 2HB GLU 47 3HB GLU 47 8.304 4.888 20.353 156 1HG GLU 47 2HG GLU 47 8.688 2.977 19.109 157 2HG GLU 47 3HG GLU 47 9.420 3.855 17.780 Start of MODEL 4 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.696 -0.803 -0.709 3 1HB LYS 27 2HB LYS 27 -0.299 0.755 -2.031 4 2HB LYS 27 3HB LYS 27 1.265 1.322 -2.580 5 1HG LYS 27 2HG LYS 27 1.810 -0.693 -3.585 6 2HG LYS 27 3HG LYS 27 0.972 -1.650 -2.380 7 1HD LYS 27 2HD LYS 27 -1.119 -1.414 -3.432 8 2HD LYS 27 3HD LYS 27 -0.680 0.093 -4.212 9 1HE LYS 27 2HE LYS 27 -0.063 -1.025 -6.085 10 2HE LYS 27 3HE LYS 27 1.131 -1.931 -5.177 11 1HZ LYS 27 1HZ LYS 27 -1.519 -2.702 -5.958 12 2HZ LYS 27 2HZ LYS 27 -0.190 -3.623 -5.727 13 3HZ LYS 27 3HZ LYS 27 -1.094 -3.156 -4.448 14 H GLY 28 HN GLY 28 2.564 0.401 1.549 15 1HA GLY 28 1HA GLY 28 4.235 1.634 2.407 16 2HA GLY 28 2HA GLY 28 4.951 1.610 0.808 17 HA PRO 29 HA PRO 29 2.290 5.523 0.964 18 1HB PRO 29 2HB PRO 29 0.780 6.093 3.169 19 2HB PRO 29 3HB PRO 29 0.138 5.288 1.749 20 1HG PRO 29 2HG PRO 29 0.824 4.134 4.384 21 2HG PRO 29 3HG PRO 29 -0.191 3.465 3.122 22 1HD PRO 29 2HD PRO 29 2.500 2.695 3.750 23 2HD PRO 29 3HD PRO 29 1.525 2.107 2.417 24 H VAL 30 HN VAL 30 3.421 7.365 1.042 25 HA VAL 30 HA VAL 30 5.161 7.572 3.381 26 HB VAL 30 HB VAL 30 6.176 7.526 1.149 27 1HG1 VAL 30 1HG1 VAL 30 4.442 8.509 -0.203 28 2HG1 VAL 30 2HG1 VAL 30 4.549 10.045 0.687 29 3HG1 VAL 30 3HG1 VAL 30 5.901 9.518 -0.343 30 1HG2 VAL 30 1HG2 VAL 30 7.272 9.953 1.410 31 2HG2 VAL 30 2HG2 VAL 30 6.435 9.870 2.979 32 3HG2 VAL 30 3HG2 VAL 30 7.623 8.621 2.538 33 H CYS 31 HN CYS 31 5.068 9.303 4.800 34 HA CYS 31 HA CYS 31 2.684 10.929 4.527 35 1HB CYS 31 2HB CYS 31 3.100 9.736 6.659 36 2HB CYS 31 3HB CYS 31 4.588 10.637 6.874 37 H PHE 32 HN PHE 32 2.915 12.873 3.476 38 HA PHE 32 HA PHE 32 5.548 14.009 3.211 39 1HB PHE 32 2HB PHE 32 2.983 13.979 1.867 40 2HB PHE 32 3HB PHE 32 3.289 15.650 2.301 41 HD1 PHE 32 HD1 PHE 32 6.132 15.988 1.945 42 HD2 PHE 32 HD2 PHE 32 3.405 13.720 -0.385 43 HE1 PHE 32 HE1 PHE 32 7.634 16.232 -0.051 44 HE2 PHE 32 HE2 PHE 32 4.906 13.965 -2.381 45 HZ PHE 32 HZ PHE 32 7.003 15.218 -2.190 46 H SER 33 HN SER 33 3.752 13.924 5.837 47 HA SER 33 HA SER 33 3.853 16.796 6.307 48 1HB SER 33 2HB SER 33 2.351 14.621 7.832 49 2HB SER 33 3HB SER 33 2.314 16.329 8.222 50 HG SER 33 HG SER 33 0.678 15.076 6.575 51 H CYS 34 HN CYS 34 4.681 13.544 7.657 52 HA CYS 34 HA CYS 34 6.468 14.893 9.539 53 1HB CYS 34 2HB CYS 34 6.488 12.709 10.751 54 2HB CYS 34 3HB CYS 34 4.913 13.477 10.691 55 H GLY 35 HN GLY 35 6.146 12.567 6.847 56 1HA GLY 35 1HA GLY 35 7.824 12.170 5.292 57 2HA GLY 35 2HA GLY 35 9.041 12.688 6.441 58 H LYS 36 HN LYS 36 6.438 10.487 7.452 59 HA LYS 36 HA LYS 36 8.470 8.397 7.743 60 1HB LYS 36 2HB LYS 36 6.749 9.488 9.599 61 2HB LYS 36 3HB LYS 36 5.889 8.041 9.112 62 1HG LYS 36 2HG LYS 36 8.605 7.238 9.367 63 2HG LYS 36 3HG LYS 36 8.311 8.289 10.737 64 1HD LYS 36 2HD LYS 36 6.096 6.897 11.042 65 2HD LYS 36 3HD LYS 36 6.864 5.725 9.990 66 1HE LYS 36 2HE LYS 36 7.968 6.764 12.643 67 2HE LYS 36 3HE LYS 36 7.321 5.163 12.347 68 1HZ LYS 36 1HZ LYS 36 9.102 4.689 10.912 69 2HZ LYS 36 2HZ LYS 36 9.623 6.236 10.877 70 3HZ LYS 36 3HZ LYS 36 9.770 5.355 12.244 71 H THR 37 HN THR 37 7.038 6.104 7.852 72 HA THR 37 HA THR 37 5.516 6.072 5.330 73 HB THR 37 HB THR 37 6.757 4.143 4.626 74 HG1 THR 37 HG1 THR 37 7.767 4.249 7.383 75 1HG2 THR 37 1HG2 THR 37 8.239 6.154 4.503 76 2HG2 THR 37 2HG2 THR 37 8.738 5.882 6.190 77 3HG2 THR 37 3HG2 THR 37 9.176 4.703 4.931 78 H GLY 38 HN GLY 38 3.734 4.710 5.217 79 1HA GLY 38 1HA GLY 38 2.591 2.792 6.203 80 2HA GLY 38 2HA GLY 38 3.010 3.423 7.783 81 H HIS 39 HN HIS 39 2.339 5.956 5.538 82 HA HIS 39 HA HIS 39 -0.434 5.972 5.556 83 1HB HIS 39 2HB HIS 39 -0.973 7.575 7.273 84 2HB HIS 39 3HB HIS 39 -0.203 6.175 7.993 85 HD1 HIS 39 HD1 HIS 39 2.670 6.638 8.093 86 HD2 HIS 39 HD2 HIS 39 -0.008 9.853 8.399 87 HE1 HIS 39 HE1 HIS 39 3.955 8.534 9.217 88 H ILE 40 HN ILE 40 -1.288 7.967 4.585 89 HA ILE 40 HA ILE 40 0.841 9.358 3.148 90 HB ILE 40 HB ILE 40 -2.109 9.034 2.603 91 1HG1 ILE 40 2HG1 ILE 40 -0.610 8.067 0.459 92 2HG1 ILE 40 3HG1 ILE 40 0.279 7.522 1.868 93 1HG2 ILE 40 1HG2 ILE 40 -1.449 11.235 1.869 94 2HG2 ILE 40 2HG2 ILE 40 -0.012 10.576 1.052 95 3HG2 ILE 40 3HG2 ILE 40 -1.639 10.174 0.453 96 1HD1 ILE 40 1HD1 ILE 40 -1.553 6.290 2.721 97 2HD1 ILE 40 2HD1 ILE 40 -2.737 7.209 1.762 98 3HD1 ILE 40 3HD1 ILE 40 -1.671 6.027 0.965 99 H LYS 41 HN LYS 41 0.476 11.744 2.725 100 HA LYS 41 HA LYS 41 0.423 13.131 5.084 101 1HB LYS 41 2HB LYS 41 0.161 15.147 3.647 102 2HB LYS 41 3HB LYS 41 1.425 14.056 3.117 103 1HG LYS 41 2HG LYS 41 -0.518 13.005 1.620 104 2HG LYS 41 3HG LYS 41 -1.289 14.559 1.874 105 1HD LYS 41 2HD LYS 41 1.436 15.127 1.219 106 2HD LYS 41 3HD LYS 41 0.917 13.885 0.096 107 1HE LYS 41 2HE LYS 41 0.095 15.685 -1.083 108 2HE LYS 41 3HE LYS 41 -1.280 15.489 -0.014 109 1HZ LYS 41 1HZ LYS 41 0.411 17.655 -0.196 110 2HZ LYS 41 2HZ LYS 41 -0.845 17.458 0.828 111 3HZ LYS 41 3HZ LYS 41 0.658 17.009 1.283 112 H ARG 42 HN ARG 42 -2.260 12.824 2.651 113 HA ARG 42 HA ARG 42 -4.081 14.264 4.092 114 1HB ARG 42 2HB ARG 42 -4.062 12.889 1.679 115 2HB ARG 42 3HB ARG 42 -5.186 11.922 2.612 116 1HG ARG 42 2HG ARG 42 -6.636 13.813 3.022 117 2HG ARG 42 3HG ARG 42 -5.426 14.955 2.469 118 1HD ARG 42 2HD ARG 42 -6.518 12.813 0.602 119 2HD ARG 42 3HD ARG 42 -7.372 14.326 0.833 120 HE ARG 42 HE ARG 42 -4.515 14.641 0.204 121 1HH1 ARG 42 2HH2 ARG 42 -7.776 14.401 -1.094 122 2HH1 ARG 42 1HH2 ARG 42 -7.377 15.180 -2.588 123 1HH2 ARG 42 2HH1 ARG 42 -3.986 15.668 -1.768 124 2HH2 ARG 42 1HH1 ARG 42 -5.206 15.906 -2.974 125 H ASP 43 HN ASP 43 -2.884 10.963 4.506 126 HA ASP 43 HA ASP 43 -5.085 10.119 6.077 127 1HB ASP 43 2HB ASP 43 -2.270 8.946 5.940 128 2HB ASP 43 3HB ASP 43 -3.709 8.120 6.505 129 H CYS 44 HN CYS 44 -1.964 11.750 6.523 130 HA CYS 44 HA CYS 44 -1.804 11.211 9.321 131 1HB CYS 44 2HB CYS 44 0.135 11.701 7.664 132 2HB CYS 44 3HB CYS 44 -0.283 13.388 7.884 133 H LYS 45 HN LYS 45 -4.211 11.957 9.519 134 HA LYS 45 HA LYS 45 -4.264 14.421 10.808 135 1HB LYS 45 2HB LYS 45 -4.129 15.044 8.250 136 2HB LYS 45 3HB LYS 45 -5.836 14.647 8.260 137 1HG LYS 45 2HG LYS 45 -5.217 16.273 10.593 138 2HG LYS 45 3HG LYS 45 -4.596 17.064 9.159 139 1HD LYS 45 2HD LYS 45 -7.101 16.200 8.302 140 2HD LYS 45 3HD LYS 45 -7.407 16.588 9.984 141 1HE LYS 45 2HE LYS 45 -5.919 18.514 8.151 142 2HE LYS 45 3HE LYS 45 -7.669 18.505 8.245 143 1HZ LYS 45 1HZ LYS 45 -7.327 19.866 9.946 144 2HZ LYS 45 2HZ LYS 45 -6.961 18.534 10.818 145 3HZ LYS 45 3HZ LYS 45 -5.767 19.432 10.158 146 H GLU 46 HN GLU 46 -4.978 12.280 11.977 147 HA GLU 46 HA GLU 46 -7.443 11.190 11.337 148 1HB GLU 46 2HB GLU 46 -7.383 10.373 13.749 149 2HB GLU 46 3HB GLU 46 -5.974 9.971 12.789 150 1HG GLU 46 2HG GLU 46 -5.769 12.593 14.173 151 2HG GLU 46 3HG GLU 46 -5.912 11.228 15.264 152 H GLU 47 HN GLU 47 -6.494 14.096 13.157 153 HA GLU 47 HA GLU 47 -9.157 15.031 13.030 154 1HB GLU 47 2HB GLU 47 -8.810 13.466 15.209 155 2HB GLU 47 3HB GLU 47 -8.177 14.962 15.868 156 1HG GLU 47 2HG GLU 47 -10.925 14.606 14.582 157 2HG GLU 47 3HG GLU 47 -10.614 14.756 16.300 Start of MODEL 5 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.229 1.076 -1.397 3 1HB LYS 27 2HB LYS 27 2.686 0.997 0.770 4 2HB LYS 27 3HB LYS 27 3.023 -0.654 0.290 5 1HG LYS 27 2HG LYS 27 3.847 0.117 -1.915 6 2HG LYS 27 3HG LYS 27 3.416 1.770 -1.528 7 1HD LYS 27 2HD LYS 27 5.359 2.090 -0.396 8 2HD LYS 27 3HD LYS 27 5.080 0.677 0.600 9 1HE LYS 27 2HE LYS 27 6.956 -0.104 -0.488 10 2HE LYS 27 3HE LYS 27 5.785 -0.586 -1.700 11 1HZ LYS 27 1HZ LYS 27 6.216 1.397 -2.900 12 2HZ LYS 27 2HZ LYS 27 7.166 2.006 -1.719 13 3HZ LYS 27 3HZ LYS 27 7.658 0.703 -2.573 14 H GLY 28 HN GLY 28 -0.082 -0.064 -2.875 15 1HA GLY 28 1HA GLY 28 0.795 -2.840 -3.298 16 2HA GLY 28 2HA GLY 28 -0.917 -2.487 -3.180 17 HA PRO 29 HA PRO 29 -0.067 -1.909 -7.530 18 1HB PRO 29 2HB PRO 29 -2.421 -2.949 -8.451 19 2HB PRO 29 3HB PRO 29 -0.975 -3.911 -8.217 20 1HG PRO 29 2HG PRO 29 -3.419 -3.805 -6.557 21 2HG PRO 29 3HG PRO 29 -2.169 -5.033 -6.594 22 1HD PRO 29 2HD PRO 29 -2.522 -3.002 -4.600 23 2HD PRO 29 3HD PRO 29 -1.207 -4.157 -4.700 24 H VAL 30 HN VAL 30 -0.220 -0.017 -8.556 25 HA VAL 30 HA VAL 30 -2.469 1.627 -7.677 26 HB VAL 30 HB VAL 30 -0.194 2.482 -7.385 27 1HG1 VAL 30 1HG1 VAL 30 1.338 1.963 -8.933 28 2HG1 VAL 30 2HG1 VAL 30 0.093 1.577 -10.146 29 3HG1 VAL 30 3HG1 VAL 30 0.633 3.259 -9.928 30 1HG2 VAL 30 1HG2 VAL 30 -1.030 4.533 -7.660 31 2HG2 VAL 30 2HG2 VAL 30 -0.946 4.382 -9.432 32 3HG2 VAL 30 3HG2 VAL 30 -2.387 3.808 -8.558 33 H CYS 31 HN CYS 31 -4.031 2.397 -9.090 34 HA CYS 31 HA CYS 31 -4.040 1.074 -11.672 35 1HB CYS 31 2HB CYS 31 -6.032 0.887 -10.205 36 2HB CYS 31 3HB CYS 31 -6.243 2.625 -10.272 37 H PHE 32 HN PHE 32 -3.122 2.203 -13.351 38 HA PHE 32 HA PHE 32 -2.810 5.052 -13.123 39 1HB PHE 32 2HB PHE 32 -1.473 2.879 -14.304 40 2HB PHE 32 3HB PHE 32 -2.260 3.604 -15.693 41 HD1 PHE 32 HD1 PHE 32 0.699 3.540 -13.975 42 HD2 PHE 32 HD2 PHE 32 -2.037 6.343 -15.605 43 HE1 PHE 32 HE1 PHE 32 2.536 5.244 -14.125 44 HE2 PHE 32 HE2 PHE 32 -0.201 8.048 -15.755 45 HZ PHE 32 HZ PHE 32 2.064 7.478 -15.014 46 H SER 33 HN SER 33 -5.510 3.405 -13.675 47 HA SER 33 HA SER 33 -6.234 4.892 -16.066 48 1HB SER 33 2HB SER 33 -6.906 2.250 -15.025 49 2HB SER 33 3HB SER 33 -8.368 3.176 -15.303 50 HG SER 33 HG SER 33 -6.297 3.079 -17.301 51 H CYS 34 HN CYS 34 -7.309 4.072 -12.704 52 HA CYS 34 HA CYS 34 -9.151 6.333 -12.844 53 1HB CYS 34 2HB CYS 34 -10.142 5.344 -10.766 54 2HB CYS 34 3HB CYS 34 -10.278 4.330 -12.188 55 H GLY 35 HN GLY 35 -6.337 4.881 -11.158 56 1HA GLY 35 1HA GLY 35 -4.629 6.184 -10.236 57 2HA GLY 35 2HA GLY 35 -5.750 7.509 -9.988 58 H LYS 36 HN LYS 36 -6.712 4.186 -9.176 59 HA LYS 36 HA LYS 36 -6.661 4.978 -6.357 60 1HB LYS 36 2HB LYS 36 -8.635 3.732 -8.034 61 2HB LYS 36 3HB LYS 36 -8.193 2.616 -6.758 62 1HG LYS 36 2HG LYS 36 -9.792 3.840 -5.612 63 2HG LYS 36 3HG LYS 36 -8.387 4.816 -5.228 64 1HD LYS 36 2HD LYS 36 -9.059 6.002 -7.572 65 2HD LYS 36 3HD LYS 36 -10.643 5.396 -7.132 66 1HE LYS 36 2HE LYS 36 -10.774 7.368 -5.953 67 2HE LYS 36 3HE LYS 36 -9.912 6.458 -4.729 68 1HZ LYS 36 1HZ LYS 36 -8.491 8.150 -4.944 69 2HZ LYS 36 2HZ LYS 36 -7.903 7.297 -6.207 70 3HZ LYS 36 3HZ LYS 36 -8.942 8.529 -6.468 71 H THR 37 HN THR 37 -6.673 2.625 -5.021 72 HA THR 37 HA THR 37 -4.279 1.220 -6.008 73 HB THR 37 HB THR 37 -3.326 1.352 -3.810 74 HG1 THR 37 HG1 THR 37 -5.955 2.418 -3.057 75 1HG2 THR 37 1HG2 THR 37 -3.984 3.749 -5.069 76 2HG2 THR 37 2HG2 THR 37 -4.719 3.955 -3.462 77 3HG2 THR 37 3HG2 THR 37 -2.977 3.619 -3.607 78 H GLY 38 HN GLY 38 -4.141 -1.005 -5.608 79 1HA GLY 38 1HA GLY 38 -5.056 -2.907 -4.403 80 2HA GLY 38 2HA GLY 38 -6.651 -2.208 -4.601 81 H HIS 39 HN HIS 39 -4.644 -1.634 -7.353 82 HA HIS 39 HA HIS 39 -4.850 -4.061 -8.679 83 1HB HIS 39 2HB HIS 39 -6.710 -3.731 -10.171 84 2HB HIS 39 3HB HIS 39 -7.276 -3.689 -8.513 85 HD1 HIS 39 HD1 HIS 39 -7.156 -0.913 -7.587 86 HD2 HIS 39 HD2 HIS 39 -7.967 -1.796 -11.606 87 HE1 HIS 39 HE1 HIS 39 -8.327 1.141 -8.548 88 H ILE 40 HN ILE 40 -4.086 -3.880 -10.926 89 HA ILE 40 HA ILE 40 -2.605 -1.386 -11.266 90 HB ILE 40 HB ILE 40 -2.249 -4.143 -12.441 91 1HG1 ILE 40 2HG1 ILE 40 0.058 -3.355 -11.089 92 2HG1 ILE 40 3HG1 ILE 40 -1.241 -2.797 -10.054 93 1HG2 ILE 40 1HG2 ILE 40 -0.081 -3.152 -13.318 94 2HG2 ILE 40 2HG2 ILE 40 -1.575 -2.671 -14.157 95 3HG2 ILE 40 3HG2 ILE 40 -0.800 -1.554 -13.009 96 1HD1 ILE 40 1HD1 ILE 40 -1.310 -5.597 -11.225 97 2HD1 ILE 40 2HD1 ILE 40 -0.385 -5.243 -9.746 98 3HD1 ILE 40 3HD1 ILE 40 -2.144 -4.974 -9.781 99 H LYS 41 HN LYS 41 -2.384 -0.561 -13.562 100 HA LYS 41 HA LYS 41 -4.832 0.119 -14.572 101 1HB LYS 41 2HB LYS 41 -3.557 0.807 -16.607 102 2HB LYS 41 3HB LYS 41 -2.891 1.401 -15.100 103 1HG LYS 41 2HG LYS 41 -1.493 -0.920 -15.265 104 2HG LYS 41 3HG LYS 41 -1.795 -0.679 -16.974 105 1HD LYS 41 2HD LYS 41 -0.863 1.665 -16.766 106 2HD LYS 41 3HD LYS 41 -0.477 1.333 -15.089 107 1HE LYS 41 2HE LYS 41 0.887 -0.691 -15.932 108 2HE LYS 41 3HE LYS 41 0.667 -0.057 -17.551 109 1HZ LYS 41 1HZ LYS 41 2.572 0.964 -16.949 110 2HZ LYS 41 2HZ LYS 41 1.530 2.099 -16.408 111 3HZ LYS 41 3HZ LYS 41 2.206 1.044 -15.360 112 H ARG 42 HN ARG 42 -2.578 -2.448 -15.809 113 HA ARG 42 HA ARG 42 -4.237 -3.308 -17.804 114 1HB ARG 42 2HB ARG 42 -1.763 -3.949 -17.227 115 2HB ARG 42 3HB ARG 42 -2.454 -5.185 -16.195 116 1HG ARG 42 2HG ARG 42 -2.340 -6.445 -18.120 117 2HG ARG 42 3HG ARG 42 -3.892 -5.694 -18.439 118 1HD ARG 42 2HD ARG 42 -2.721 -5.277 -20.444 119 2HD ARG 42 3HD ARG 42 -2.493 -3.775 -19.571 120 HE ARG 42 HE ARG 42 -0.210 -4.303 -19.252 121 1HH1 ARG 42 2HH2 ARG 42 -1.933 -7.067 -20.584 122 2HH1 ARG 42 1HH2 ARG 42 -0.489 -7.951 -20.952 123 1HH2 ARG 42 2HH1 ARG 42 1.695 -5.468 -19.737 124 2HH2 ARG 42 1HH1 ARG 42 1.588 -7.035 -20.468 125 H ASP 43 HN ASP 43 -4.329 -3.849 -14.308 126 HA ASP 43 HA ASP 43 -5.982 -6.140 -14.464 127 1HB ASP 43 2HB ASP 43 -5.565 -4.209 -12.135 128 2HB ASP 43 3HB ASP 43 -6.213 -5.833 -12.018 129 H CYS 44 HN CYS 44 -6.349 -2.607 -14.382 130 HA CYS 44 HA CYS 44 -9.101 -2.681 -13.614 131 1HB CYS 44 2HB CYS 44 -7.368 -0.783 -13.216 132 2HB CYS 44 3HB CYS 44 -7.719 -0.307 -14.865 133 H LYS 45 HN LYS 45 -10.522 -3.613 -15.067 134 HA LYS 45 HA LYS 45 -10.341 -2.662 -17.832 135 1HB LYS 45 2HB LYS 45 -9.963 -5.378 -16.883 136 2HB LYS 45 3HB LYS 45 -11.352 -5.285 -17.946 137 1HG LYS 45 2HG LYS 45 -9.751 -3.823 -19.477 138 2HG LYS 45 3HG LYS 45 -8.469 -4.564 -18.539 139 1HD LYS 45 2HD LYS 45 -8.736 -6.599 -19.550 140 2HD LYS 45 3HD LYS 45 -10.484 -6.527 -19.446 141 1HE LYS 45 2HE LYS 45 -9.867 -4.542 -21.339 142 2HE LYS 45 3HE LYS 45 -8.714 -5.812 -21.697 143 1HZ LYS 45 1HZ LYS 45 -10.351 -7.231 -22.263 144 2HZ LYS 45 2HZ LYS 45 -11.449 -6.621 -21.220 145 3HZ LYS 45 3HZ LYS 45 -11.140 -5.847 -22.625 146 H GLU 46 HN GLU 46 -11.892 -1.139 -16.512 147 HA GLU 46 HA GLU 46 -14.361 -2.174 -15.745 148 1HB GLU 46 2HB GLU 46 -15.084 0.204 -15.717 149 2HB GLU 46 3HB GLU 46 -13.534 -0.014 -14.929 150 1HG GLU 46 2HG GLU 46 -12.410 0.638 -17.128 151 2HG GLU 46 3HG GLU 46 -13.998 1.021 -17.764 152 H GLU 47 HN GLU 47 -13.196 -0.598 -18.789 153 HA GLU 47 HA GLU 47 -14.910 -2.120 -20.354 154 1HB GLU 47 2HB GLU 47 -16.345 -0.103 -19.156 155 2HB GLU 47 3HB GLU 47 -15.834 0.701 -20.627 156 1HG GLU 47 2HG GLU 47 -16.624 -1.611 -21.755 157 2HG GLU 47 3HG GLU 47 -17.596 -1.727 -20.301 Start of MODEL 6 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.074 1.001 -0.524 3 1HB LYS 27 2HB LYS 27 1.380 -1.859 -0.169 4 2HB LYS 27 3HB LYS 27 2.312 -1.484 -1.605 5 1HG LYS 27 2HG LYS 27 4.192 -1.228 -0.367 6 2HG LYS 27 3HG LYS 27 3.428 0.027 0.588 7 1HD LYS 27 2HD LYS 27 3.645 -1.440 2.327 8 2HD LYS 27 3HD LYS 27 2.226 -2.216 1.651 9 1HE LYS 27 2HE LYS 27 4.011 -3.486 0.126 10 2HE LYS 27 3HE LYS 27 5.132 -3.023 1.390 11 1HZ LYS 27 1HZ LYS 27 3.290 -5.081 1.434 12 2HZ LYS 27 2HZ LYS 27 4.330 -4.645 2.615 13 3HZ LYS 27 3HZ LYS 27 2.825 -4.014 2.579 14 H GLY 28 HN GLY 28 -0.599 -1.076 -1.857 15 1HA GLY 28 1HA GLY 28 -1.808 -0.862 -3.743 16 2HA GLY 28 2HA GLY 28 -1.297 0.810 -3.847 17 HA PRO 29 HA PRO 29 0.899 -1.832 -6.988 18 1HB PRO 29 2HB PRO 29 -0.678 -1.543 -9.201 19 2HB PRO 29 3HB PRO 29 -0.745 -2.946 -8.154 20 1HG PRO 29 2HG PRO 29 -2.651 -0.696 -8.361 21 2HG PRO 29 3HG PRO 29 -2.897 -2.282 -7.656 22 1HD PRO 29 2HD PRO 29 -2.452 0.174 -6.243 23 2HD PRO 29 3HD PRO 29 -2.582 -1.428 -5.545 24 H VAL 30 HN VAL 30 2.619 -0.982 -8.011 25 HA VAL 30 HA VAL 30 2.368 1.884 -8.492 26 HB VAL 30 HB VAL 30 4.162 1.081 -7.038 27 1HG1 VAL 30 1HG1 VAL 30 6.069 -0.192 -8.046 28 2HG1 VAL 30 2HG1 VAL 30 4.561 -1.127 -7.916 29 3HG1 VAL 30 3HG1 VAL 30 5.064 -0.465 -9.489 30 1HG2 VAL 30 1HG2 VAL 30 5.593 1.976 -9.514 31 2HG2 VAL 30 2HG2 VAL 30 4.352 3.038 -8.808 32 3HG2 VAL 30 3HG2 VAL 30 5.754 2.538 -7.833 33 H CYS 31 HN CYS 31 2.447 2.782 -10.522 34 HA CYS 31 HA CYS 31 2.343 0.888 -12.704 35 1HB CYS 31 2HB CYS 31 0.615 2.649 -12.524 36 2HB CYS 31 3HB CYS 31 1.849 3.884 -12.680 37 H PHE 32 HN PHE 32 4.241 0.352 -13.723 38 HA PHE 32 HA PHE 32 6.532 2.068 -13.379 39 1HB PHE 32 2HB PHE 32 6.753 -0.388 -13.195 40 2HB PHE 32 3HB PHE 32 5.909 -0.627 -14.712 41 HD1 PHE 32 HD1 PHE 32 7.283 -1.419 -16.370 42 HD2 PHE 32 HD2 PHE 32 8.855 1.412 -13.628 43 HE1 PHE 32 HE1 PHE 32 9.479 -1.463 -17.585 44 HE2 PHE 32 HE2 PHE 32 11.051 1.369 -14.842 45 HZ PHE 32 HZ PHE 32 11.337 -0.068 -16.806 46 H SER 33 HN SER 33 4.006 2.652 -15.186 47 HA SER 33 HA SER 33 5.536 3.062 -17.634 48 1HB SER 33 2HB SER 33 3.456 1.664 -17.823 49 2HB SER 33 3HB SER 33 2.508 3.022 -17.251 50 HG SER 33 HG SER 33 2.369 3.260 -19.432 51 H CYS 34 HN CYS 34 3.258 4.534 -15.250 52 HA CYS 34 HA CYS 34 3.938 7.149 -16.374 53 1HB CYS 34 2HB CYS 34 1.902 7.965 -15.183 54 2HB CYS 34 3HB CYS 34 1.566 6.793 -16.442 55 H GLY 35 HN GLY 35 3.910 5.001 -13.527 56 1HA GLY 35 1HA GLY 35 5.439 5.129 -11.793 57 2HA GLY 35 2HA GLY 35 5.767 6.807 -12.177 58 H LYS 36 HN LYS 36 2.420 5.617 -12.013 59 HA LYS 36 HA LYS 36 2.069 7.265 -9.618 60 1HB LYS 36 2HB LYS 36 0.760 7.360 -12.026 61 2HB LYS 36 3HB LYS 36 -0.319 6.346 -11.090 62 1HG LYS 36 2HG LYS 36 -1.055 8.568 -10.639 63 2HG LYS 36 3HG LYS 36 -0.142 8.115 -9.214 64 1HD LYS 36 2HD LYS 36 1.896 9.180 -10.627 65 2HD LYS 36 3HD LYS 36 0.591 10.052 -11.404 66 1HE LYS 36 2HE LYS 36 -0.012 11.193 -9.442 67 2HE LYS 36 3HE LYS 36 0.595 9.931 -8.389 68 1HZ LYS 36 1HZ LYS 36 2.080 11.732 -8.298 69 2HZ LYS 36 2HZ LYS 36 2.844 10.571 -9.156 70 3HZ LYS 36 3HZ LYS 36 2.191 11.858 -9.922 71 H THR 37 HN THR 37 -0.187 6.292 -8.482 72 HA THR 37 HA THR 37 0.427 3.453 -7.987 73 HB THR 37 HB THR 37 0.258 3.859 -5.631 74 HG1 THR 37 HG1 THR 37 -0.888 6.361 -6.639 75 1HG2 THR 37 1HG2 THR 37 1.302 6.592 -6.032 76 2HG2 THR 37 2HG2 THR 37 2.112 5.174 -5.324 77 3HG2 THR 37 3HG2 THR 37 2.106 5.407 -7.089 78 H GLY 38 HN GLY 38 -1.309 2.059 -7.610 79 1HA GLY 38 1HA GLY 38 -3.681 1.877 -7.094 80 2HA GLY 38 2HA GLY 38 -3.964 3.255 -8.141 81 H HIS 39 HN HIS 39 -1.431 1.452 -9.495 82 HA HIS 39 HA HIS 39 -2.764 -0.703 -10.625 83 1HB HIS 39 2HB HIS 39 -3.280 0.039 -12.844 84 2HB HIS 39 3HB HIS 39 -4.144 1.045 -11.698 85 HD1 HIS 39 HD1 HIS 39 -3.519 3.560 -11.577 86 HD2 HIS 39 HD2 HIS 39 -1.210 1.357 -14.299 87 HE1 HIS 39 HE1 HIS 39 -2.252 5.269 -12.987 88 H ILE 40 HN ILE 40 -1.391 -1.821 -12.228 89 HA ILE 40 HA ILE 40 1.385 -0.969 -11.897 90 HB ILE 40 HB ILE 40 0.144 -3.626 -12.612 91 1HG1 ILE 40 2HG1 ILE 40 1.723 -3.878 -10.330 92 2HG1 ILE 40 3HG1 ILE 40 0.913 -2.342 -10.102 93 1HG2 ILE 40 1HG2 ILE 40 3.069 -2.877 -12.343 94 2HG2 ILE 40 2HG2 ILE 40 2.432 -4.532 -12.496 95 3HG2 ILE 40 3HG2 ILE 40 2.228 -3.373 -13.831 96 1HD1 ILE 40 1HD1 ILE 40 -1.247 -3.308 -10.200 97 2HD1 ILE 40 2HD1 ILE 40 -0.656 -4.766 -11.032 98 3HD1 ILE 40 3HD1 ILE 40 -0.299 -4.519 -9.306 99 H LYS 41 HN LYS 41 2.860 -1.300 -13.810 100 HA LYS 41 HA LYS 41 2.062 0.219 -15.933 101 1HB LYS 41 2HB LYS 41 4.338 0.010 -15.766 102 2HB LYS 41 3HB LYS 41 4.282 -1.706 -15.418 103 1HG LYS 41 2HG LYS 41 3.259 -0.937 -18.117 104 2HG LYS 41 3HG LYS 41 4.968 -0.641 -17.865 105 1HD LYS 41 2HD LYS 41 4.857 -3.135 -16.819 106 2HD LYS 41 3HD LYS 41 3.474 -3.255 -17.890 107 1HE LYS 41 2HE LYS 41 4.802 -2.796 -19.844 108 2HE LYS 41 3HE LYS 41 6.145 -2.194 -18.892 109 1HZ LYS 41 1HZ LYS 41 6.655 -4.329 -18.183 110 2HZ LYS 41 2HZ LYS 41 5.217 -4.957 -18.632 111 3HZ LYS 41 3HZ LYS 41 6.308 -4.524 -19.767 112 H ARG 42 HN ARG 42 2.192 -3.406 -15.760 113 HA ARG 42 HA ARG 42 1.208 -3.824 -18.274 114 1HB ARG 42 2HB ARG 42 2.172 -5.495 -16.497 115 2HB ARG 42 3HB ARG 42 0.527 -5.619 -15.908 116 1HG ARG 42 2HG ARG 42 0.377 -5.883 -18.754 117 2HG ARG 42 3HG ARG 42 1.725 -6.878 -18.241 118 1HD ARG 42 2HD ARG 42 0.343 -8.170 -16.744 119 2HD ARG 42 3HD ARG 42 -0.964 -7.006 -16.816 120 HE ARG 42 HE ARG 42 -0.335 -8.064 -19.451 121 1HH1 ARG 42 2HH2 ARG 42 -2.056 -8.769 -16.463 122 2HH1 ARG 42 1HH2 ARG 42 -3.186 -9.844 -17.217 123 1HH2 ARG 42 2HH1 ARG 42 -1.826 -9.482 -20.446 124 2HH2 ARG 42 1HH1 ARG 42 -3.053 -10.252 -19.499 125 H ASP 43 HN ASP 43 -0.418 -2.934 -15.245 126 HA ASP 43 HA ASP 43 -2.997 -3.648 -16.197 127 1HB ASP 43 2HB ASP 43 -2.350 -1.739 -13.914 128 2HB ASP 43 3HB ASP 43 -3.801 -2.701 -14.116 129 H CYS 44 HN CYS 44 -0.770 -0.953 -16.438 130 HA CYS 44 HA CYS 44 -2.728 1.075 -16.789 131 1HB CYS 44 2HB CYS 44 -0.241 1.298 -16.046 132 2HB CYS 44 3HB CYS 44 0.122 1.269 -17.760 133 H LYS 45 HN LYS 45 -4.148 0.792 -18.504 134 HA LYS 45 HA LYS 45 -2.952 0.647 -21.142 135 1HB LYS 45 2HB LYS 45 -3.455 -1.725 -20.292 136 2HB LYS 45 3HB LYS 45 -5.149 -1.296 -20.416 137 1HG LYS 45 2HG LYS 45 -4.278 -0.433 -22.865 138 2HG LYS 45 3HG LYS 45 -3.135 -1.733 -22.589 139 1HD LYS 45 2HD LYS 45 -4.879 -3.376 -22.382 140 2HD LYS 45 3HD LYS 45 -6.120 -2.156 -22.179 141 1HE LYS 45 2HE LYS 45 -6.429 -1.992 -24.425 142 2HE LYS 45 3HE LYS 45 -4.721 -1.702 -24.695 143 1HZ LYS 45 1HZ LYS 45 -5.711 -3.778 -25.669 144 2HZ LYS 45 2HZ LYS 45 -4.314 -3.965 -24.844 145 3HZ LYS 45 3HZ LYS 45 -5.732 -4.395 -24.157 146 H GLU 46 HN GLU 46 -3.599 2.866 -21.260 147 HA GLU 46 HA GLU 46 -6.237 3.136 -22.198 148 1HB GLU 46 2HB GLU 46 -6.786 3.249 -19.809 149 2HB GLU 46 3HB GLU 46 -5.549 4.460 -19.539 150 1HG GLU 46 2HG GLU 46 -6.737 6.115 -20.842 151 2HG GLU 46 3HG GLU 46 -7.828 4.915 -21.509 152 H GLU 47 HN GLU 47 -3.622 5.112 -20.606 153 HA GLU 47 HA GLU 47 -3.133 6.344 -23.157 154 1HB GLU 47 2HB GLU 47 -4.126 7.878 -20.727 155 2HB GLU 47 3HB GLU 47 -3.199 8.663 -21.991 156 1HG GLU 47 2HG GLU 47 -4.932 7.644 -23.653 157 2HG GLU 47 3HG GLU 47 -5.912 7.303 -22.240 Start of MODEL 7 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 0.839 0.059 -1.681 3 1HB LYS 27 2HB LYS 27 2.080 2.071 0.108 4 2HB LYS 27 3HB LYS 27 3.164 1.322 -1.045 5 1HG LYS 27 2HG LYS 27 2.359 2.885 -2.507 6 2HG LYS 27 3HG LYS 27 0.989 1.803 -2.661 7 1HD LYS 27 2HD LYS 27 -0.413 3.251 -1.597 8 2HD LYS 27 3HD LYS 27 0.726 3.526 -0.293 9 1HE LYS 27 2HE LYS 27 0.791 5.644 -1.211 10 2HE LYS 27 3HE LYS 27 2.021 4.913 -2.222 11 1HZ LYS 27 1HZ LYS 27 0.687 5.636 -3.836 12 2HZ LYS 27 2HZ LYS 27 -0.174 4.277 -3.552 13 3HZ LYS 27 3HZ LYS 27 -0.652 5.697 -2.903 14 H GLY 28 HN GLY 28 1.481 -1.991 -2.059 15 1HA GLY 28 1HA GLY 28 2.363 -3.876 -0.392 16 2HA GLY 28 2HA GLY 28 2.925 -3.748 -2.048 17 HA PRO 29 HA PRO 29 6.153 -1.962 0.974 18 1HB PRO 29 2HB PRO 29 6.204 -3.110 3.453 19 2HB PRO 29 3HB PRO 29 5.437 -1.570 3.127 20 1HG PRO 29 2HG PRO 29 4.181 -4.205 3.592 21 2HG PRO 29 3HG PRO 29 3.457 -2.612 3.688 22 1HD PRO 29 2HD PRO 29 3.155 -4.508 1.557 23 2HD PRO 29 3HD PRO 29 2.527 -2.872 1.601 24 H VAL 30 HN VAL 30 8.118 -2.586 0.346 25 HA VAL 30 HA VAL 30 8.438 -5.482 0.145 26 HB VAL 30 HB VAL 30 8.733 -4.119 -1.867 27 1HG1 VAL 30 1HG1 VAL 30 10.731 -2.681 -0.138 28 2HG1 VAL 30 2HG1 VAL 30 10.971 -2.759 -1.900 29 3HG1 VAL 30 3HG1 VAL 30 9.494 -2.022 -1.235 30 1HG2 VAL 30 1HG2 VAL 30 11.253 -4.847 -2.250 31 2HG2 VAL 30 2HG2 VAL 30 11.001 -5.695 -0.706 32 3HG2 VAL 30 3HG2 VAL 30 9.953 -6.055 -2.098 33 H CYS 31 HN CYS 31 10.009 -6.607 1.277 34 HA CYS 31 HA CYS 31 11.240 -5.091 3.421 35 1HB CYS 31 2HB CYS 31 9.962 -7.143 3.966 36 2HB CYS 31 3HB CYS 31 11.074 -8.094 3.001 37 H PHE 32 HN PHE 32 13.261 -4.267 3.003 38 HA PHE 32 HA PHE 32 14.832 -5.408 0.881 39 1HB PHE 32 2HB PHE 32 14.475 -2.915 2.266 40 2HB PHE 32 3HB PHE 32 16.109 -3.417 2.650 41 HD1 PHE 32 HD1 PHE 32 17.706 -3.892 0.745 42 HD2 PHE 32 HD2 PHE 32 13.955 -1.999 0.156 43 HE1 PHE 32 HE1 PHE 32 18.497 -3.016 -1.471 44 HE2 PHE 32 HE2 PHE 32 14.745 -1.122 -2.058 45 HZ PHE 32 HZ PHE 32 17.006 -1.641 -2.846 46 H SER 33 HN SER 33 14.248 -6.658 3.774 47 HA SER 33 HA SER 33 17.046 -7.075 4.445 48 1HB SER 33 2HB SER 33 14.769 -6.549 6.040 49 2HB SER 33 3HB SER 33 15.119 -8.243 6.314 50 HG SER 33 HG SER 33 16.631 -7.543 7.652 51 H CYS 34 HN CYS 34 13.890 -8.761 3.886 52 HA CYS 34 HA CYS 34 15.385 -11.252 3.589 53 1HB CYS 34 2HB CYS 34 13.135 -12.343 3.755 54 2HB CYS 34 3HB CYS 34 13.633 -11.484 5.198 55 H GLY 35 HN GLY 35 13.155 -8.904 2.041 56 1HA GLY 35 1HA GLY 35 13.236 -8.438 -0.250 57 2HA GLY 35 2HA GLY 35 13.854 -10.046 -0.571 58 H LYS 36 HN LYS 36 11.167 -9.580 1.709 59 HA LYS 36 HA LYS 36 9.426 -10.895 -0.248 60 1HB LYS 36 2HB LYS 36 9.956 -11.312 2.572 61 2HB LYS 36 3HB LYS 36 8.252 -11.003 2.309 62 1HG LYS 36 2HG LYS 36 7.934 -12.968 1.164 63 2HG LYS 36 3HG LYS 36 9.445 -12.820 0.287 64 1HD LYS 36 2HD LYS 36 9.847 -14.690 1.667 65 2HD LYS 36 3HD LYS 36 10.595 -13.390 2.573 66 1HE LYS 36 2HE LYS 36 7.684 -14.041 3.089 67 2HE LYS 36 3HE LYS 36 8.918 -15.084 3.767 68 1HZ LYS 36 1HZ LYS 36 8.251 -13.216 5.197 69 2HZ LYS 36 2HZ LYS 36 9.856 -13.250 4.895 70 3HZ LYS 36 3HZ LYS 36 8.903 -12.170 4.124 71 H THR 37 HN THR 37 6.929 -10.315 0.639 72 HA THR 37 HA THR 37 6.846 -7.371 0.677 73 HB THR 37 HB THR 37 5.174 -7.419 -1.042 74 HG1 THR 37 HG1 THR 37 5.231 -10.297 -0.456 75 1HG2 THR 37 1HG2 THR 37 6.437 -9.838 -2.175 76 2HG2 THR 37 2HG2 THR 37 6.438 -8.173 -2.801 77 3HG2 THR 37 3HG2 THR 37 7.638 -8.666 -1.582 78 H GLY 38 HN GLY 38 5.100 -6.398 1.791 79 1HA GLY 38 1HA GLY 38 3.017 -6.718 2.975 80 2HA GLY 38 2HA GLY 38 3.615 -8.265 3.540 81 H HIS 39 HN HIS 39 6.125 -5.896 3.380 82 HA HIS 39 HA HIS 39 5.686 -4.494 5.731 83 1HB HIS 39 2HB HIS 39 7.082 -5.628 7.332 84 2HB HIS 39 3HB HIS 39 5.802 -6.703 6.807 85 HD1 HIS 39 HD1 HIS 39 6.773 -8.186 4.472 86 HD2 HIS 39 HD2 HIS 39 9.407 -7.021 7.521 87 HE1 HIS 39 HE1 HIS 39 8.798 -9.728 4.295 88 H ILE 40 HN ILE 40 7.569 -3.150 6.296 89 HA ILE 40 HA ILE 40 9.355 -2.943 3.994 90 HB ILE 40 HB ILE 40 8.585 -0.985 6.157 91 1HG1 ILE 40 2HG1 ILE 40 7.988 0.063 3.646 92 2HG1 ILE 40 3HG1 ILE 40 7.531 -1.624 3.508 93 1HG2 ILE 40 1HG2 ILE 40 10.847 -0.498 5.667 94 2HG2 ILE 40 2HG2 ILE 40 10.608 -0.755 3.923 95 3HG2 ILE 40 3HG2 ILE 40 9.875 0.655 4.724 96 1HD1 ILE 40 1HD1 ILE 40 5.987 -1.491 5.311 97 2HD1 ILE 40 2HD1 ILE 40 6.719 0.005 5.940 98 3HD1 ILE 40 3HD1 ILE 40 5.762 0.045 4.439 99 H LYS 41 HN LYS 41 11.672 -2.315 4.474 100 HA LYS 41 HA LYS 41 12.906 -4.258 5.949 101 1HB LYS 41 2HB LYS 41 14.933 -2.933 5.689 102 2HB LYS 41 3HB LYS 41 13.999 -2.939 4.206 103 1HG LYS 41 2HG LYS 41 12.966 -0.710 4.988 104 2HG LYS 41 3HG LYS 41 14.166 -0.694 6.265 105 1HD LYS 41 2HD LYS 41 15.939 -0.314 4.799 106 2HD LYS 41 3HD LYS 41 15.179 -1.176 3.477 107 1HE LYS 41 2HE LYS 41 13.793 0.670 2.893 108 2HE LYS 41 3HE LYS 41 13.963 1.422 4.467 109 1HZ LYS 41 1HZ LYS 41 16.389 1.618 3.855 110 2HZ LYS 41 2HZ LYS 41 15.942 1.287 2.320 111 3HZ LYS 41 3HZ LYS 41 15.350 2.608 3.076 112 H ARG 42 HN ARG 42 12.295 -0.812 6.927 113 HA ARG 42 HA ARG 42 13.353 -1.060 9.432 114 1HB ARG 42 2HB ARG 42 11.737 0.852 7.956 115 2HB ARG 42 3HB ARG 42 11.098 0.724 9.583 116 1HG ARG 42 2HG ARG 42 13.400 1.112 10.507 117 2HG ARG 42 3HG ARG 42 14.022 1.265 8.876 118 1HD ARG 42 2HD ARG 42 12.917 3.323 8.496 119 2HD ARG 42 3HD ARG 42 11.698 3.014 9.715 120 HE ARG 42 HE ARG 42 14.199 3.111 11.056 121 1HH1 ARG 42 2HH2 ARG 42 12.105 5.274 9.233 122 2HH1 ARG 42 1HH2 ARG 42 12.639 6.697 10.063 123 1HH2 ARG 42 2HH1 ARG 42 14.904 4.989 12.151 124 2HH2 ARG 42 1HH1 ARG 42 14.242 6.534 11.733 125 H ASP 43 HN ASP 43 10.261 -2.149 8.098 126 HA ASP 43 HA ASP 43 8.995 -2.409 10.615 127 1HB ASP 43 2HB ASP 43 8.333 -3.777 7.965 128 2HB ASP 43 3HB ASP 43 7.251 -3.614 9.333 129 H CYS 44 HN CYS 44 11.092 -4.335 8.489 130 HA CYS 44 HA CYS 44 10.467 -6.824 9.746 131 1HB CYS 44 2HB CYS 44 11.294 -6.412 7.317 132 2HB CYS 44 3HB CYS 44 12.894 -6.316 8.025 133 H LYS 45 HN LYS 45 12.141 -8.086 10.979 134 HA LYS 45 HA LYS 45 13.652 -8.327 12.571 135 1HB LYS 45 2HB LYS 45 14.797 -6.189 10.920 136 2HB LYS 45 3HB LYS 45 15.348 -6.137 12.583 137 1HG LYS 45 2HG LYS 45 15.359 -8.681 10.893 138 2HG LYS 45 3HG LYS 45 16.739 -7.609 11.026 139 1HD LYS 45 2HD LYS 45 15.420 -8.660 13.544 140 2HD LYS 45 3HD LYS 45 16.520 -9.692 12.651 141 1HE LYS 45 2HE LYS 45 18.309 -7.969 12.823 142 2HE LYS 45 3HE LYS 45 17.211 -6.891 13.663 143 1HZ LYS 45 1HZ LYS 45 18.389 -9.378 14.609 144 2HZ LYS 45 2HZ LYS 45 18.297 -7.930 15.359 145 3HZ LYS 45 3HZ LYS 45 16.972 -8.878 15.249 146 H GLU 46 HN GLU 46 11.563 -7.960 13.824 147 HA GLU 46 HA GLU 46 12.071 -5.751 15.638 148 1HB GLU 46 2HB GLU 46 9.566 -5.366 15.774 149 2HB GLU 46 3HB GLU 46 10.303 -4.878 14.260 150 1HG GLU 46 2HG GLU 46 9.628 -7.105 13.262 151 2HG GLU 46 3HG GLU 46 8.808 -7.496 14.762 152 H GLU 47 HN GLU 47 10.272 -8.813 14.948 153 HA GLU 47 HA GLU 47 9.897 -9.252 17.748 154 1HB GLU 47 2HB GLU 47 8.663 -10.142 15.348 155 2HB GLU 47 3HB GLU 47 9.353 -11.578 16.076 156 1HG GLU 47 2HG GLU 47 8.272 -10.492 18.311 157 2HG GLU 47 3HG GLU 47 7.205 -9.755 17.132 Start of MODEL 8 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 0.971 -0.460 -1.490 3 1HB LYS 27 2HB LYS 27 1.346 2.382 -0.705 4 2HB LYS 27 3HB LYS 27 2.621 1.674 -1.674 5 1HG LYS 27 2HG LYS 27 1.033 2.580 -3.235 6 2HG LYS 27 3HG LYS 27 0.818 0.842 -3.287 7 1HD LYS 27 2HD LYS 27 -1.380 1.184 -2.845 8 2HD LYS 27 3HD LYS 27 -0.914 1.658 -1.223 9 1HE LYS 27 2HE LYS 27 -0.596 4.031 -2.057 10 2HE LYS 27 3HE LYS 27 -1.185 3.526 -3.628 11 1HZ LYS 27 1HZ LYS 27 -3.102 2.613 -2.065 12 2HZ LYS 27 2HZ LYS 27 -2.640 3.907 -1.184 13 3HZ LYS 27 3HZ LYS 27 -3.128 4.104 -2.730 14 H GLY 28 HN GLY 28 1.622 -2.152 0.265 15 1HA GLY 28 1HA GLY 28 4.424 -2.349 0.261 16 2HA GLY 28 2HA GLY 28 3.913 -1.769 1.835 17 HA PRO 29 HA PRO 29 2.467 -5.731 2.896 18 1HB PRO 29 2HB PRO 29 0.013 -5.403 4.054 19 2HB PRO 29 3HB PRO 29 1.517 -5.052 4.881 20 1HG PRO 29 2HG PRO 29 -0.450 -3.168 3.732 21 2HG PRO 29 3HG PRO 29 0.810 -2.856 4.909 22 1HD PRO 29 2HD PRO 29 0.857 -2.178 2.122 23 2HD PRO 29 3HD PRO 29 2.163 -1.971 3.274 24 H VAL 30 HN VAL 30 1.838 -7.582 1.942 25 HA VAL 30 HA VAL 30 -0.073 -7.159 -0.226 26 HB VAL 30 HB VAL 30 2.133 -8.098 -0.746 27 1HG1 VAL 30 1HG1 VAL 30 1.303 -10.201 1.257 28 2HG1 VAL 30 2HG1 VAL 30 2.487 -10.552 -0.025 29 3HG1 VAL 30 3HG1 VAL 30 2.819 -9.272 1.166 30 1HG2 VAL 30 1HG2 VAL 30 1.187 -9.242 -2.415 31 2HG2 VAL 30 2HG2 VAL 30 0.603 -10.505 -1.305 32 3HG2 VAL 30 3HG2 VAL 30 -0.370 -9.040 -1.576 33 H CYS 31 HN CYS 31 -2.076 -8.134 -0.271 34 HA CYS 31 HA CYS 31 -2.866 -9.395 2.209 35 1HB CYS 31 2HB CYS 31 -4.249 -7.573 1.258 36 2HB CYS 31 3HB CYS 31 -4.544 -8.539 -0.174 37 H PHE 32 HN PHE 32 -2.654 -11.601 2.355 38 HA PHE 32 HA PHE 32 -2.407 -13.143 -0.062 39 1HB PHE 32 2HB PHE 32 -1.477 -13.208 2.613 40 2HB PHE 32 3HB PHE 32 -2.669 -14.493 2.589 41 HD1 PHE 32 HD1 PHE 32 0.200 -13.262 0.534 42 HD2 PHE 32 HD2 PHE 32 -1.956 -16.607 2.008 43 HE1 PHE 32 HE1 PHE 32 1.885 -14.805 -0.503 44 HE2 PHE 32 HE2 PHE 32 -0.271 -18.150 0.972 45 HZ PHE 32 HZ PHE 32 1.630 -17.232 -0.272 46 H SER 33 HN SER 33 -5.053 -11.804 1.087 47 HA SER 33 HA SER 33 -6.605 -14.270 1.091 48 1HB SER 33 2HB SER 33 -6.839 -12.774 3.089 49 2HB SER 33 3HB SER 33 -7.399 -11.483 2.045 50 HG SER 33 HG SER 33 -8.728 -14.028 1.989 51 H CYS 34 HN CYS 34 -6.380 -10.915 -0.242 52 HA CYS 34 HA CYS 34 -8.291 -11.718 -2.304 53 1HB CYS 34 2HB CYS 34 -8.510 -9.264 -2.743 54 2HB CYS 34 3HB CYS 34 -9.057 -9.763 -1.156 55 H GLY 35 HN GLY 35 -5.013 -10.493 -1.556 56 1HA GLY 35 1HA GLY 35 -3.152 -10.977 -2.870 57 2HA GLY 35 2HA GLY 35 -4.177 -11.193 -4.275 58 H LYS 36 HN LYS 36 -4.697 -8.427 -2.109 59 HA LYS 36 HA LYS 36 -3.774 -6.693 -4.279 60 1HB LYS 36 2HB LYS 36 -5.846 -6.418 -2.117 61 2HB LYS 36 3HB LYS 36 -5.139 -4.985 -2.836 62 1HG LYS 36 2HG LYS 36 -5.724 -5.964 -5.132 63 2HG LYS 36 3HG LYS 36 -6.611 -7.224 -4.297 64 1HD LYS 36 2HD LYS 36 -8.388 -5.798 -4.390 65 2HD LYS 36 3HD LYS 36 -7.614 -4.958 -3.062 66 1HE LYS 36 2HE LYS 36 -7.011 -3.173 -4.372 67 2HE LYS 36 3HE LYS 36 -6.517 -4.195 -5.708 68 1HZ LYS 36 1HZ LYS 36 -9.181 -3.201 -5.079 69 2HZ LYS 36 2HZ LYS 36 -8.378 -3.163 -6.499 70 3HZ LYS 36 3HZ LYS 36 -9.023 -4.563 -5.964 71 H THR 37 HN THR 37 -3.206 -4.349 -3.051 72 HA THR 37 HA THR 37 -1.152 -5.058 -1.062 73 HB THR 37 HB THR 37 0.424 -3.694 -2.245 74 HG1 THR 37 HG1 THR 37 -0.535 -2.358 -4.069 75 1HG2 THR 37 1HG2 THR 37 -1.264 -4.710 -4.573 76 2HG2 THR 37 2HG2 THR 37 0.505 -4.545 -4.490 77 3HG2 THR 37 3HG2 THR 37 -0.313 -5.827 -3.565 78 H GLY 38 HN GLY 38 -0.787 -3.609 0.623 79 1HA GLY 38 1HA GLY 38 -1.130 -1.362 1.476 80 2HA GLY 38 2HA GLY 38 -2.735 -1.387 0.772 81 H HIS 39 HN HIS 39 -1.952 -4.510 1.924 82 HA HIS 39 HA HIS 39 -2.357 -4.230 4.654 83 1HB HIS 39 2HB HIS 39 -4.659 -4.829 4.959 84 2HB HIS 39 3HB HIS 39 -4.577 -3.378 3.979 85 HD1 HIS 39 HD1 HIS 39 -4.773 -3.888 1.240 86 HD2 HIS 39 HD2 HIS 39 -6.243 -6.787 3.892 87 HE1 HIS 39 HE1 HIS 39 -6.355 -5.359 -0.115 88 H ILE 40 HN ILE 40 -2.541 -6.359 5.721 89 HA ILE 40 HA ILE 40 -1.606 -8.450 3.901 90 HB ILE 40 HB ILE 40 -1.316 -8.082 6.883 91 1HG1 ILE 40 2HG1 ILE 40 1.192 -8.293 5.701 92 2HG1 ILE 40 3HG1 ILE 40 0.292 -7.314 4.562 93 1HG2 ILE 40 1HG2 ILE 40 0.267 -10.076 6.621 94 2HG2 ILE 40 2HG2 ILE 40 -1.483 -10.405 6.622 95 3HG2 ILE 40 3HG2 ILE 40 -0.581 -10.392 5.088 96 1HD1 ILE 40 1HD1 ILE 40 -0.146 -5.618 6.147 97 2HD1 ILE 40 2HD1 ILE 40 0.127 -6.708 7.527 98 3HD1 ILE 40 3HD1 ILE 40 1.507 -6.130 6.562 99 H LYS 41 HN LYS 41 -2.360 -10.712 4.369 100 HA LYS 41 HA LYS 41 -5.066 -10.924 4.150 101 1HB LYS 41 2HB LYS 41 -4.689 -13.333 4.834 102 2HB LYS 41 3HB LYS 41 -3.725 -12.747 3.494 103 1HG LYS 41 2HG LYS 41 -1.920 -13.521 4.646 104 2HG LYS 41 3HG LYS 41 -2.115 -12.114 5.673 105 1HD LYS 41 2HD LYS 41 -3.768 -13.523 7.072 106 2HD LYS 41 3HD LYS 41 -3.226 -14.912 6.151 107 1HE LYS 41 2HE LYS 41 -1.023 -14.806 7.027 108 2HE LYS 41 3HE LYS 41 -1.173 -13.118 7.475 109 1HZ LYS 41 1HZ LYS 41 -2.185 -13.655 9.377 110 2HZ LYS 41 2HZ LYS 41 -3.035 -14.899 8.748 111 3HZ LYS 41 3HZ LYS 41 -1.472 -15.109 9.173 112 H ARG 42 HN ARG 42 -3.083 -11.347 7.162 113 HA ARG 42 HA ARG 42 -5.210 -11.838 8.810 114 1HB ARG 42 2HB ARG 42 -2.514 -11.746 9.143 115 2HB ARG 42 3HB ARG 42 -2.913 -10.207 9.881 116 1HG ARG 42 2HG ARG 42 -4.823 -11.813 11.039 117 2HG ARG 42 3HG ARG 42 -3.533 -12.978 10.814 118 1HD ARG 42 2HD ARG 42 -2.850 -12.137 12.859 119 2HD ARG 42 3HD ARG 42 -2.042 -10.964 11.836 120 HE ARG 42 HE ARG 42 -4.805 -10.238 12.539 121 1HH1 ARG 42 2HH2 ARG 42 -1.413 -10.006 13.445 122 2HH1 ARG 42 1HH2 ARG 42 -1.637 -8.591 14.418 123 1HH2 ARG 42 2HH1 ARG 42 -5.102 -8.370 13.823 124 2HH2 ARG 42 1HH1 ARG 42 -3.750 -7.654 14.634 125 H ASP 43 HN ASP 43 -3.895 -8.792 7.505 126 HA ASP 43 HA ASP 43 -5.312 -7.161 9.333 127 1HB ASP 43 2HB ASP 43 -4.271 -6.318 6.600 128 2HB ASP 43 3HB ASP 43 -4.477 -5.313 8.021 129 H CYS 44 HN CYS 44 -6.006 -8.921 6.402 130 HA CYS 44 HA CYS 44 -8.097 -7.175 5.512 131 1HB CYS 44 2HB CYS 44 -6.591 -8.744 4.078 132 2HB CYS 44 3HB CYS 44 -7.701 -10.011 4.563 133 H LYS 45 HN LYS 45 -10.028 -7.095 6.607 134 HA LYS 45 HA LYS 45 -11.372 -9.533 7.249 135 1HB LYS 45 2HB LYS 45 -10.183 -7.839 9.444 136 2HB LYS 45 3HB LYS 45 -11.644 -8.768 9.712 137 1HG LYS 45 2HG LYS 45 -10.251 -10.763 8.649 138 2HG LYS 45 3HG LYS 45 -8.862 -9.772 9.053 139 1HD LYS 45 2HD LYS 45 -9.891 -9.599 11.439 140 2HD LYS 45 3HD LYS 45 -10.958 -10.901 10.951 141 1HE LYS 45 2HE LYS 45 -8.672 -12.065 10.184 142 2HE LYS 45 3HE LYS 45 -7.957 -10.948 11.329 143 1HZ LYS 45 1HZ LYS 45 -9.860 -11.840 12.826 144 2HZ LYS 45 2HZ LYS 45 -9.801 -13.130 11.826 145 3HZ LYS 45 3HZ LYS 45 -8.471 -12.684 12.662 146 H GLU 46 HN GLU 46 -12.405 -8.145 5.418 147 HA GLU 46 HA GLU 46 -14.739 -7.106 6.436 148 1HB GLU 46 2HB GLU 46 -14.425 -4.672 5.699 149 2HB GLU 46 3HB GLU 46 -13.627 -5.134 7.189 150 1HG GLU 46 2HG GLU 46 -11.476 -5.377 6.043 151 2HG GLU 46 3HG GLU 46 -12.229 -5.161 4.476 152 H GLU 47 HN GLU 47 -12.285 -7.114 3.825 153 HA GLU 47 HA GLU 47 -14.128 -6.540 1.786 154 1HB GLU 47 2HB GLU 47 -11.282 -7.489 1.947 155 2HB GLU 47 3HB GLU 47 -12.122 -7.737 0.429 156 1HG GLU 47 2HG GLU 47 -12.646 -5.046 1.455 157 2HG GLU 47 3HG GLU 47 -10.921 -5.333 1.349 Start of MODEL 9 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.659 1.236 -0.976 3 1HB LYS 27 2HB LYS 27 3.281 -0.675 -0.961 4 2HB LYS 27 3HB LYS 27 3.040 0.101 0.591 5 1HG LYS 27 2HG LYS 27 1.132 -2.110 0.134 6 2HG LYS 27 3HG LYS 27 2.801 -2.643 0.066 7 1HD LYS 27 2HD LYS 27 3.243 -1.585 2.281 8 2HD LYS 27 3HD LYS 27 1.590 -1.008 2.347 9 1HE LYS 27 2HE LYS 27 0.921 -2.986 3.229 10 2HE LYS 27 3HE LYS 27 1.468 -3.827 1.792 11 1HZ LYS 27 1HZ LYS 27 2.671 -4.704 3.558 12 2HZ LYS 27 2HZ LYS 27 3.733 -3.706 2.823 13 3HZ LYS 27 3HZ LYS 27 3.010 -3.246 4.213 14 H GLY 28 HN GLY 28 -0.734 -1.328 -0.873 15 1HA GLY 28 1HA GLY 28 -1.246 -1.129 -3.646 16 2HA GLY 28 2HA GLY 28 -0.307 -2.573 -3.326 17 HA PRO 29 HA PRO 29 -4.570 -2.896 -1.217 18 1HB PRO 29 2HB PRO 29 -6.586 -1.407 -2.305 19 2HB PRO 29 3HB PRO 29 -5.708 -0.925 -0.867 20 1HG PRO 29 2HG PRO 29 -5.483 0.133 -3.619 21 2HG PRO 29 3HG PRO 29 -4.949 0.860 -2.116 22 1HD PRO 29 2HD PRO 29 -3.304 -0.438 -4.074 23 2HD PRO 29 3HD PRO 29 -2.788 0.186 -2.519 24 H VAL 30 HN VAL 30 -5.683 -4.732 -1.594 25 HA VAL 30 HA VAL 30 -5.810 -5.416 -4.434 26 HB VAL 30 HB VAL 30 -4.570 -6.889 -2.904 27 1HG1 VAL 30 1HG1 VAL 30 -6.905 -8.092 -1.622 28 2HG1 VAL 30 2HG1 VAL 30 -5.344 -7.598 -0.925 29 3HG1 VAL 30 3HG1 VAL 30 -6.649 -6.404 -1.123 30 1HG2 VAL 30 1HG2 VAL 30 -6.913 -8.575 -3.609 31 2HG2 VAL 30 2HG2 VAL 30 -6.212 -7.609 -4.930 32 3HG2 VAL 30 3HG2 VAL 30 -5.192 -8.758 -4.030 33 H CYS 31 HN CYS 31 -7.745 -5.788 -5.483 34 HA CYS 31 HA CYS 31 -10.093 -4.979 -3.997 35 1HB CYS 31 2HB CYS 31 -9.621 -3.945 -6.197 36 2HB CYS 31 3HB CYS 31 -9.745 -5.516 -6.965 37 H PHE 32 HN PHE 32 -11.261 -6.568 -2.975 38 HA PHE 32 HA PHE 32 -10.898 -9.306 -3.790 39 1HB PHE 32 2HB PHE 32 -11.330 -7.939 -1.413 40 2HB PHE 32 3HB PHE 32 -12.975 -8.413 -1.788 41 HD1 PHE 32 HD1 PHE 32 -13.529 -10.844 -2.018 42 HD2 PHE 32 HD2 PHE 32 -9.755 -9.520 -0.599 43 HE1 PHE 32 HE1 PHE 32 -13.096 -13.118 -1.048 44 HE2 PHE 32 HE2 PHE 32 -9.322 -11.794 0.372 45 HZ PHE 32 HZ PHE 32 -10.998 -13.566 0.135 46 H SER 33 HN SER 33 -12.493 -7.047 -5.356 47 HA SER 33 HA SER 33 -14.972 -8.564 -5.538 48 1HB SER 33 2HB SER 33 -15.799 -6.455 -5.226 49 2HB SER 33 3HB SER 33 -14.302 -5.684 -5.714 50 HG SER 33 HG SER 33 -16.205 -6.883 -7.543 51 H CYS 34 HN CYS 34 -12.337 -6.955 -7.421 52 HA CYS 34 HA CYS 34 -13.221 -8.475 -9.758 53 1HB CYS 34 2HB CYS 34 -11.796 -6.880 -11.058 54 2HB CYS 34 3HB CYS 34 -13.160 -6.134 -10.248 55 H GLY 35 HN GLY 35 -10.568 -7.753 -7.469 56 1HA GLY 35 1HA GLY 35 -8.961 -9.324 -6.858 57 2HA GLY 35 2HA GLY 35 -9.184 -10.170 -8.376 58 H LYS 36 HN LYS 36 -8.938 -6.627 -8.341 59 HA LYS 36 HA LYS 36 -6.360 -6.901 -9.700 60 1HB LYS 36 2HB LYS 36 -8.588 -5.698 -10.602 61 2HB LYS 36 3HB LYS 36 -7.889 -4.343 -9.740 62 1HG LYS 36 2HG LYS 36 -5.763 -5.643 -11.195 63 2HG LYS 36 3HG LYS 36 -7.108 -5.431 -12.297 64 1HD LYS 36 2HD LYS 36 -7.195 -3.035 -11.867 65 2HD LYS 36 3HD LYS 36 -6.071 -3.173 -10.529 66 1HE LYS 36 2HE LYS 36 -4.238 -3.203 -11.905 67 2HE LYS 36 3HE LYS 36 -4.995 -4.290 -13.053 68 1HZ LYS 36 1HZ LYS 36 -5.718 -1.454 -12.840 69 2HZ LYS 36 2HZ LYS 36 -4.579 -2.010 -13.871 70 3HZ LYS 36 3HZ LYS 36 -6.130 -2.496 -14.029 71 H THR 37 HN THR 37 -5.194 -4.475 -9.371 72 HA THR 37 HA THR 37 -5.042 -4.140 -6.448 73 HB THR 37 HB THR 37 -2.649 -4.195 -6.589 74 HG1 THR 37 HG1 THR 37 -3.220 -4.053 -9.467 75 1HG2 THR 37 1HG2 THR 37 -2.840 -6.085 -8.851 76 2HG2 THR 37 2HG2 THR 37 -2.340 -6.392 -7.171 77 3HG2 THR 37 3HG2 THR 37 -4.067 -6.406 -7.601 78 H GLY 38 HN GLY 38 -4.762 -2.062 -5.656 79 1HA GLY 38 1HA GLY 38 -4.076 0.223 -6.180 80 2HA GLY 38 2HA GLY 38 -4.920 0.067 -7.707 81 H HIS 39 HN HIS 39 -6.586 -1.651 -5.246 82 HA HIS 39 HA HIS 39 -7.907 0.402 -3.931 83 1HB HIS 39 2HB HIS 39 -10.023 0.533 -5.068 84 2HB HIS 39 3HB HIS 39 -8.740 0.993 -6.171 85 HD1 HIS 39 HD1 HIS 39 -7.842 -1.336 -7.630 86 HD2 HIS 39 HD2 HIS 39 -11.812 -1.103 -6.298 87 HE1 HIS 39 HE1 HIS 39 -9.175 -2.966 -9.071 88 H ILE 40 HN ILE 40 -9.664 -0.447 -2.556 89 HA ILE 40 HA ILE 40 -9.354 -3.338 -2.242 90 HB ILE 40 HB ILE 40 -10.233 -1.169 -0.335 91 1HG1 ILE 40 2HG1 ILE 40 -8.066 -2.541 0.729 92 2HG1 ILE 40 3HG1 ILE 40 -7.667 -2.426 -0.974 93 1HG2 ILE 40 1HG2 ILE 40 -11.538 -3.029 0.274 94 2HG2 ILE 40 2HG2 ILE 40 -10.210 -4.173 -0.032 95 3HG2 ILE 40 3HG2 ILE 40 -10.130 -3.069 1.360 96 1HD1 ILE 40 1HD1 ILE 40 -7.711 -0.063 -0.972 97 2HD1 ILE 40 2HD1 ILE 40 -8.714 0.009 0.497 98 3HD1 ILE 40 3HD1 ILE 40 -6.998 -0.449 0.613 99 H LYS 41 HN LYS 41 -11.342 -4.572 -1.566 100 HA LYS 41 HA LYS 41 -13.293 -4.410 -3.462 101 1HB LYS 41 2HB LYS 41 -14.644 -5.810 -1.841 102 2HB LYS 41 3HB LYS 41 -13.050 -6.414 -2.247 103 1HG LYS 41 2HG LYS 41 -12.692 -6.545 -0.002 104 2HG LYS 41 3HG LYS 41 -12.501 -4.803 -0.047 105 1HD LYS 41 2HD LYS 41 -14.977 -4.548 0.351 106 2HD LYS 41 3HD LYS 41 -15.120 -6.291 0.464 107 1HE LYS 41 2HE LYS 41 -13.166 -4.776 2.236 108 2HE LYS 41 3HE LYS 41 -14.857 -4.912 2.680 109 1HZ LYS 41 1HZ LYS 41 -14.675 -7.250 2.694 110 2HZ LYS 41 2HZ LYS 41 -13.180 -7.235 2.036 111 3HZ LYS 41 3HZ LYS 41 -13.409 -6.683 3.556 112 H ARG 42 HN ARG 42 -13.443 -3.121 -0.069 113 HA ARG 42 HA ARG 42 -15.939 -2.041 -0.303 114 1HB ARG 42 2HB ARG 42 -15.417 -0.812 1.701 115 2HB ARG 42 3HB ARG 42 -14.471 -2.284 1.797 116 1HG ARG 42 2HG ARG 42 -12.508 -1.009 0.793 117 2HG ARG 42 3HG ARG 42 -13.466 0.455 0.896 118 1HD ARG 42 2HD ARG 42 -13.244 0.607 3.191 119 2HD ARG 42 3HD ARG 42 -13.347 -1.127 3.424 120 HE ARG 42 HE ARG 42 -10.873 -0.295 2.096 121 1HH1 ARG 42 2HH2 ARG 42 -12.444 -0.787 5.205 122 2HH1 ARG 42 1HH2 ARG 42 -10.957 -0.991 6.068 123 1HH2 ARG 42 2HH1 ARG 42 -8.911 -0.564 3.234 124 2HH2 ARG 42 1HH1 ARG 42 -8.933 -0.863 4.940 125 H ASP 43 HN ASP 43 -12.770 -0.877 -1.433 126 HA ASP 43 HA ASP 43 -13.652 1.772 -1.867 127 1HB ASP 43 2HB ASP 43 -11.304 0.362 -3.204 128 2HB ASP 43 3HB ASP 43 -11.492 2.086 -2.950 129 H CYS 44 HN CYS 44 -13.690 -1.320 -3.584 130 HA CYS 44 HA CYS 44 -14.017 -0.170 -6.176 131 1HB CYS 44 2HB CYS 44 -13.028 -2.494 -5.548 132 2HB CYS 44 3HB CYS 44 -14.697 -3.021 -5.458 133 H LYS 45 HN LYS 45 -15.819 1.329 -5.500 134 HA LYS 45 HA LYS 45 -18.322 0.028 -4.848 135 1HB LYS 45 2HB LYS 45 -17.717 2.053 -3.646 136 2HB LYS 45 3HB LYS 45 -17.546 2.943 -5.146 137 1HG LYS 45 2HG LYS 45 -20.152 1.659 -5.105 138 2HG LYS 45 3HG LYS 45 -19.928 2.539 -3.607 139 1HD LYS 45 2HD LYS 45 -19.431 3.748 -6.368 140 2HD LYS 45 3HD LYS 45 -20.944 3.908 -5.496 141 1HE LYS 45 2HE LYS 45 -19.849 5.107 -3.667 142 2HE LYS 45 3HE LYS 45 -18.260 4.771 -4.325 143 1HZ LYS 45 1HZ LYS 45 -18.464 6.430 -5.761 144 2HZ LYS 45 2HZ LYS 45 -19.998 6.058 -6.179 145 3HZ LYS 45 3HZ LYS 45 -19.710 6.957 -4.846 146 H GLU 46 HN GLU 46 -18.177 -1.233 -6.955 147 HA GLU 46 HA GLU 46 -20.014 -0.235 -8.713 148 1HB GLU 46 2HB GLU 46 -18.493 0.092 -10.759 149 2HB GLU 46 3HB GLU 46 -18.507 1.389 -9.582 150 1HG GLU 46 2HG GLU 46 -16.493 -0.437 -8.708 151 2HG GLU 46 3HG GLU 46 -16.275 -0.275 -10.439 152 H GLU 47 HN GLU 47 -17.080 -2.239 -8.221 153 HA GLU 47 HA GLU 47 -16.654 -4.330 -8.614 154 1HB GLU 47 2HB GLU 47 -19.673 -4.606 -8.956 155 2HB GLU 47 3HB GLU 47 -18.569 -5.963 -8.849 156 1HG GLU 47 2HG GLU 47 -17.754 -4.805 -6.615 157 2HG GLU 47 3HG GLU 47 -19.270 -3.930 -6.709 Start of MODEL 10 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.297 0.257 -0.213 3 1HB LYS 27 2HB LYS 27 1.962 -1.161 -2.253 4 2HB LYS 27 3HB LYS 27 1.514 -1.924 -0.742 5 1HG LYS 27 2HG LYS 27 -0.897 -0.893 -1.322 6 2HG LYS 27 3HG LYS 27 -0.267 -0.905 -2.957 7 1HD LYS 27 2HD LYS 27 0.447 -3.404 -2.339 8 2HD LYS 27 3HD LYS 27 -0.793 -3.243 -1.111 9 1HE LYS 27 2HE LYS 27 -2.530 -3.024 -2.686 10 2HE LYS 27 3HE LYS 27 -1.468 -2.405 -3.935 11 1HZ LYS 27 1HZ LYS 27 -2.192 -4.724 -4.244 12 2HZ LYS 27 2HZ LYS 27 -0.568 -4.550 -4.243 13 3HZ LYS 27 3HZ LYS 27 -1.325 -5.161 -2.931 14 H GLY 28 HN GLY 28 -0.670 0.915 -2.215 15 1HA GLY 28 1HA GLY 28 -0.783 3.378 -2.798 16 2HA GLY 28 2HA GLY 28 0.822 3.138 -3.463 17 HA PRO 29 HA PRO 29 -2.503 1.855 -6.474 18 1HB PRO 29 2HB PRO 29 -2.964 4.147 -7.891 19 2HB PRO 29 3HB PRO 29 -4.005 3.596 -6.594 20 1HG PRO 29 2HG PRO 29 -2.032 5.798 -6.578 21 2HG PRO 29 3HG PRO 29 -3.360 5.504 -5.471 22 1HD PRO 29 2HD PRO 29 -0.578 5.000 -4.988 23 2HD PRO 29 3HD PRO 29 -1.915 4.600 -3.928 24 H VAL 30 HN VAL 30 -1.953 0.855 -8.342 25 HA VAL 30 HA VAL 30 0.641 1.752 -9.366 26 HB VAL 30 HB VAL 30 0.414 -0.557 -8.500 27 1HG1 VAL 30 1HG1 VAL 30 -2.041 -0.616 -9.611 28 2HG1 VAL 30 2HG1 VAL 30 -1.118 -1.429 -10.897 29 3HG1 VAL 30 3HG1 VAL 30 -1.102 -2.083 -9.241 30 1HG2 VAL 30 1HG2 VAL 30 1.845 -1.422 -10.065 31 2HG2 VAL 30 2HG2 VAL 30 0.849 -0.887 -11.439 32 3HG2 VAL 30 3HG2 VAL 30 1.868 0.285 -10.568 33 H CYS 31 HN CYS 31 0.897 2.392 -11.500 34 HA CYS 31 HA CYS 31 -1.597 2.891 -12.891 35 1HB CYS 31 2HB CYS 31 0.007 4.752 -12.572 36 2HB CYS 31 3HB CYS 31 1.208 3.878 -13.502 37 H PHE 32 HN PHE 32 -2.281 1.323 -14.308 38 HA PHE 32 HA PHE 32 -0.388 -0.611 -15.278 39 1HB PHE 32 2HB PHE 32 -3.162 -0.417 -14.676 40 2HB PHE 32 3HB PHE 32 -3.134 -0.517 -16.425 41 HD1 PHE 32 HD1 PHE 32 -3.505 -2.636 -17.222 42 HD2 PHE 32 HD2 PHE 32 -1.285 -2.190 -13.633 43 HE1 PHE 32 HE1 PHE 32 -3.240 -5.128 -17.075 44 HE2 PHE 32 HE2 PHE 32 -1.021 -4.681 -13.486 45 HZ PHE 32 HZ PHE 32 -2.002 -6.121 -15.209 46 H SER 33 HN SER 33 -0.666 2.457 -16.154 47 HA SER 33 HA SER 33 -0.874 1.893 -19.000 48 1HB SER 33 2HB SER 33 -0.970 4.553 -17.505 49 2HB SER 33 3HB SER 33 -1.116 4.376 -19.243 50 HG SER 33 HG SER 33 -3.100 3.355 -19.022 51 H CYS 34 HN CYS 34 1.118 3.585 -16.489 52 HA CYS 34 HA CYS 34 3.302 3.678 -18.426 53 1HB CYS 34 2HB CYS 34 4.349 5.273 -16.786 54 2HB CYS 34 3HB CYS 34 2.874 5.845 -17.539 55 H GLY 35 HN GLY 35 2.208 2.508 -15.216 56 1HA GLY 35 1HA GLY 35 2.929 0.470 -14.324 57 2HA GLY 35 2HA GLY 35 4.434 0.596 -15.214 58 H LYS 36 HN LYS 36 3.158 3.462 -13.568 59 HA LYS 36 HA LYS 36 5.391 3.250 -11.689 60 1HB LYS 36 2HB LYS 36 4.202 5.421 -13.238 61 2HB LYS 36 3HB LYS 36 4.335 5.828 -11.540 62 1HG LYS 36 2HG LYS 36 6.711 4.475 -12.784 63 2HG LYS 36 3HG LYS 36 6.393 6.122 -13.293 64 1HD LYS 36 2HD LYS 36 6.628 6.986 -11.078 65 2HD LYS 36 3HD LYS 36 6.410 5.411 -10.340 66 1HE LYS 36 2HE LYS 36 8.646 5.048 -12.011 67 2HE LYS 36 3HE LYS 36 8.872 6.663 -11.368 68 1HZ LYS 36 1HZ LYS 36 8.413 4.226 -9.792 69 2HZ LYS 36 2HZ LYS 36 9.808 5.069 -9.895 70 3HZ LYS 36 3HZ LYS 36 8.510 5.728 -9.155 71 H THR 37 HN THR 37 4.645 4.822 -9.611 72 HA THR 37 HA THR 37 2.111 3.641 -8.685 73 HB THR 37 HB THR 37 3.166 3.061 -6.610 74 HG1 THR 37 HG1 THR 37 5.439 4.585 -7.672 75 1HG2 THR 37 1HG2 THR 37 4.291 2.043 -8.972 76 2HG2 THR 37 2HG2 THR 37 5.707 2.631 -8.066 77 3HG2 THR 37 3HG2 THR 37 4.615 1.432 -7.331 78 H GLY 38 HN GLY 38 0.789 4.912 -7.377 79 1HA GLY 38 1HA GLY 38 0.652 6.912 -5.985 80 2HA GLY 38 2HA GLY 38 1.645 7.738 -7.169 81 H HIS 39 HN HIS 39 -0.488 5.474 -8.664 82 HA HIS 39 HA HIS 39 -2.860 6.910 -8.697 83 1HB HIS 39 2HB HIS 39 -2.811 8.027 -10.830 84 2HB HIS 39 3HB HIS 39 -1.532 8.653 -9.810 85 HD1 HIS 39 HD1 HIS 39 0.867 7.035 -10.274 86 HD2 HIS 39 HD2 HIS 39 -1.880 7.733 -13.366 87 HE1 HIS 39 HE1 HIS 39 2.135 6.655 -12.456 88 H ILE 40 HN ILE 40 -4.436 5.932 -10.192 89 HA ILE 40 HA ILE 40 -3.562 3.240 -10.918 90 HB ILE 40 HB ILE 40 -6.288 4.432 -10.413 91 1HG1 ILE 40 2HG1 ILE 40 -5.940 2.323 -8.691 92 2HG1 ILE 40 3HG1 ILE 40 -4.316 2.977 -8.773 93 1HG2 ILE 40 1HG2 ILE 40 -6.633 2.842 -12.129 94 2HG2 ILE 40 2HG2 ILE 40 -5.496 1.686 -11.395 95 3HG2 ILE 40 3HG2 ILE 40 -7.054 2.025 -10.604 96 1HD1 ILE 40 1HD1 ILE 40 -6.697 4.819 -8.377 97 2HD1 ILE 40 2HD1 ILE 40 -5.949 3.972 -7.001 98 3HD1 ILE 40 3HD1 ILE 40 -4.987 5.111 -7.974 99 H LYS 41 HN LYS 41 -4.530 2.310 -12.969 100 HA LYS 41 HA LYS 41 -3.718 3.754 -15.146 101 1HB LYS 41 2HB LYS 41 -4.994 2.089 -16.471 102 2HB LYS 41 3HB LYS 41 -3.983 1.370 -15.234 103 1HG LYS 41 2HG LYS 41 -6.088 1.397 -13.713 104 2HG LYS 41 3HG LYS 41 -7.003 1.769 -15.161 105 1HD LYS 41 2HD LYS 41 -5.152 -0.482 -15.590 106 2HD LYS 41 3HD LYS 41 -6.257 -0.796 -14.267 107 1HE LYS 41 2HE LYS 41 -7.532 0.421 -16.671 108 2HE LYS 41 3HE LYS 41 -6.860 -1.175 -16.940 109 1HZ LYS 41 1HZ LYS 41 -8.242 -1.090 -14.496 110 2HZ LYS 41 2HZ LYS 41 -9.217 -0.581 -15.703 111 3HZ LYS 41 3HZ LYS 41 -8.506 -2.049 -15.792 112 H ARG 42 HN ARG 42 -7.123 3.304 -13.955 113 HA ARG 42 HA ARG 42 -8.274 4.908 -15.840 114 1HB ARG 42 2HB ARG 42 -9.023 3.663 -13.315 115 2HB ARG 42 3HB ARG 42 -9.721 5.270 -13.386 116 1HG ARG 42 2HG ARG 42 -10.995 4.788 -15.313 117 2HG ARG 42 3HG ARG 42 -9.927 3.497 -15.826 118 1HD ARG 42 2HD ARG 42 -11.844 2.349 -15.011 119 2HD ARG 42 3HD ARG 42 -10.698 2.224 -13.692 120 HE ARG 42 HE ARG 42 -12.084 4.580 -13.153 121 1HH1 ARG 42 2HH2 ARG 42 -12.999 1.225 -13.688 122 2HH1 ARG 42 1HH2 ARG 42 -14.409 1.317 -12.686 123 1HH2 ARG 42 2HH1 ARG 42 -13.944 4.701 -11.831 124 2HH2 ARG 42 1HH1 ARG 42 -14.950 3.307 -11.624 125 H ASP 43 HN ASP 43 -6.418 5.709 -12.936 126 HA ASP 43 HA ASP 43 -7.391 8.362 -12.762 127 1HB ASP 43 2HB ASP 43 -4.815 7.172 -11.633 128 2HB ASP 43 3HB ASP 43 -5.584 8.653 -11.098 129 H CYS 44 HN CYS 44 -4.801 6.581 -14.425 130 HA CYS 44 HA CYS 44 -3.270 8.917 -15.026 131 1HB CYS 44 2HB CYS 44 -2.449 6.455 -14.787 132 2HB CYS 44 3HB CYS 44 -2.989 6.269 -16.444 133 H LYS 45 HN LYS 45 -3.526 10.244 -16.818 134 HA LYS 45 HA LYS 45 -5.298 9.259 -18.937 135 1HB LYS 45 2HB LYS 45 -5.558 11.714 -17.263 136 2HB LYS 45 3HB LYS 45 -5.909 11.873 -18.972 137 1HG LYS 45 2HG LYS 45 -7.242 9.531 -18.414 138 2HG LYS 45 3HG LYS 45 -7.377 10.344 -16.867 139 1HD LYS 45 2HD LYS 45 -7.909 12.179 -19.111 140 2HD LYS 45 3HD LYS 45 -8.983 10.793 -19.138 141 1HE LYS 45 2HE LYS 45 -10.192 12.148 -17.694 142 2HE LYS 45 3HE LYS 45 -9.192 11.329 -16.512 143 1HZ LYS 45 1HZ LYS 45 -7.590 13.268 -17.026 144 2HZ LYS 45 2HZ LYS 45 -8.938 14.030 -17.545 145 3HZ LYS 45 3HZ LYS 45 -8.842 13.498 -16.003 146 H GLU 46 HN GLU 46 -3.184 8.659 -19.908 147 HA GLU 46 HA GLU 46 -2.267 10.873 -21.469 148 1HB GLU 46 2HB GLU 46 -0.755 11.061 -19.555 149 2HB GLU 46 3HB GLU 46 -0.379 9.351 -19.621 150 1HG GLU 46 2HG GLU 46 0.510 9.742 -21.999 151 2HG GLU 46 3HG GLU 46 0.326 11.460 -21.711 152 H GLU 47 HN GLU 47 -1.363 7.474 -20.516 153 HA GLU 47 HA GLU 47 -0.694 5.795 -21.774 154 1HB GLU 47 2HB GLU 47 -3.429 6.278 -22.066 155 2HB GLU 47 3HB GLU 47 -2.905 6.030 -23.719 156 1HG GLU 47 2HG GLU 47 -1.732 4.087 -21.805 157 2HG GLU 47 3HG GLU 47 -3.481 4.009 -21.894 Start of MODEL 11 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.646 -0.819 -0.759 3 1HB LYS 27 2HB LYS 27 -0.311 0.485 -2.095 4 2HB LYS 27 3HB LYS 27 1.004 1.616 -2.340 5 1HG LYS 27 2HG LYS 27 2.342 0.031 -3.482 6 2HG LYS 27 3HG LYS 27 1.505 -1.337 -2.778 7 1HD LYS 27 2HD LYS 27 -0.094 0.542 -4.512 8 2HD LYS 27 3HD LYS 27 1.038 -0.534 -5.307 9 1HE LYS 27 2HE LYS 27 -0.612 -2.103 -5.214 10 2HE LYS 27 3HE LYS 27 -0.223 -2.251 -3.511 11 1HZ LYS 27 1HZ LYS 27 -2.050 -1.134 -2.940 12 2HZ LYS 27 2HZ LYS 27 -1.961 -0.066 -4.172 13 3HZ LYS 27 3HZ LYS 27 -2.599 -1.548 -4.421 14 H GLY 28 HN GLY 28 2.964 -0.198 1.245 15 1HA GLY 28 1HA GLY 28 5.122 0.618 1.575 16 2HA GLY 28 2HA GLY 28 4.824 1.917 0.437 17 HA PRO 29 HA PRO 29 2.992 3.000 4.704 18 1HB PRO 29 2HB PRO 29 4.202 1.838 6.861 19 2HB PRO 29 3HB PRO 29 2.698 1.255 6.176 20 1HG PRO 29 2HG PRO 29 5.411 0.104 5.943 21 2HG PRO 29 3HG PRO 29 3.865 -0.663 5.642 22 1HD PRO 29 2HD PRO 29 5.718 0.294 3.673 23 2HD PRO 29 3HD PRO 29 4.122 -0.365 3.377 24 H VAL 30 HN VAL 30 3.489 5.043 5.180 25 HA VAL 30 HA VAL 30 6.350 5.610 5.165 26 HB VAL 30 HB VAL 30 4.889 6.837 3.637 27 1HG1 VAL 30 1HG1 VAL 30 2.909 7.707 4.207 28 2HG1 VAL 30 2HG1 VAL 30 3.083 6.863 5.764 29 3HG1 VAL 30 3HG1 VAL 30 3.604 8.558 5.608 30 1HG2 VAL 30 1HG2 VAL 30 5.440 9.222 4.717 31 2HG2 VAL 30 2HG2 VAL 30 6.424 8.209 5.800 32 3HG2 VAL 30 3HG2 VAL 30 6.704 8.165 4.043 33 H CYS 31 HN CYS 31 7.450 6.418 6.941 34 HA CYS 31 HA CYS 31 5.986 6.210 9.435 35 1HB CYS 31 2HB CYS 31 8.136 5.000 9.177 36 2HB CYS 31 3HB CYS 31 8.966 6.526 8.945 37 H PHE 32 HN PHE 32 5.039 8.071 10.192 38 HA PHE 32 HA PHE 32 5.967 10.611 9.211 39 1HB PHE 32 2HB PHE 32 3.551 9.451 10.038 40 2HB PHE 32 3HB PHE 32 3.979 10.394 11.452 41 HD1 PHE 32 HD1 PHE 32 2.237 10.478 8.452 42 HD2 PHE 32 HD2 PHE 32 4.780 12.890 10.846 43 HE1 PHE 32 HE1 PHE 32 1.311 12.539 7.360 44 HE2 PHE 32 HE2 PHE 32 3.853 14.951 9.753 45 HZ PHE 32 HZ PHE 32 2.129 14.750 8.023 46 H SER 33 HN SER 33 7.429 8.690 11.303 47 HA SER 33 HA SER 33 7.723 10.729 13.359 48 1HB SER 33 2HB SER 33 7.145 8.155 13.783 49 2HB SER 33 3HB SER 33 8.877 7.951 13.612 50 HG SER 33 HG SER 33 9.229 9.397 15.356 51 H CYS 34 HN CYS 34 9.529 8.471 11.179 52 HA CYS 34 HA CYS 34 11.925 10.067 11.676 53 1HB CYS 34 2HB CYS 34 13.139 8.147 10.620 54 2HB CYS 34 3HB CYS 34 12.322 7.748 12.118 55 H GLY 35 HN GLY 35 9.584 8.865 9.246 56 1HA GLY 35 1HA GLY 35 9.007 10.085 7.345 57 2HA GLY 35 2HA GLY 35 10.562 10.893 7.369 58 H LYS 36 HN LYS 36 10.365 7.384 7.893 59 HA LYS 36 HA LYS 36 11.690 7.036 5.305 60 1HB LYS 36 2HB LYS 36 12.273 6.108 7.932 61 2HB LYS 36 3HB LYS 36 11.827 4.708 6.979 62 1HG LYS 36 2HG LYS 36 13.421 5.949 5.160 63 2HG LYS 36 3HG LYS 36 14.138 6.595 6.622 64 1HD LYS 36 2HD LYS 36 15.374 4.638 6.439 65 2HD LYS 36 3HD LYS 36 14.048 4.040 7.418 66 1HE LYS 36 2HE LYS 36 13.095 3.794 4.773 67 2HE LYS 36 3HE LYS 36 14.784 3.342 4.653 68 1HZ LYS 36 1HZ LYS 36 13.247 1.522 5.248 69 2HZ LYS 36 2HZ LYS 36 14.479 1.709 6.302 70 3HZ LYS 36 3HZ LYS 36 12.984 2.238 6.691 71 H THR 37 HN THR 37 11.256 4.437 4.692 72 HA THR 37 HA THR 37 8.322 4.180 4.668 73 HB THR 37 HB THR 37 8.409 3.706 2.320 74 HG1 THR 37 HG1 THR 37 10.630 3.362 1.397 75 1HG2 THR 37 1HG2 THR 37 9.825 5.498 1.278 76 2HG2 THR 37 2HG2 THR 37 8.887 6.129 2.652 77 3HG2 THR 37 3HG2 THR 37 10.617 5.763 2.851 78 H GLY 38 HN GLY 38 7.461 2.071 4.704 79 1HA GLY 38 1HA GLY 38 7.882 -0.301 4.586 80 2HA GLY 38 2HA GLY 38 9.443 -0.032 5.334 81 H HIS 39 HN HIS 39 7.050 2.079 6.639 82 HA HIS 39 HA HIS 39 5.757 0.391 8.421 83 1HB HIS 39 2HB HIS 39 6.948 0.709 10.479 84 2HB HIS 39 3HB HIS 39 8.029 -0.011 9.301 85 HD1 HIS 39 HD1 HIS 39 9.511 2.019 7.926 86 HD2 HIS 39 HD2 HIS 39 8.141 2.753 11.822 87 HE1 HIS 39 HE1 HIS 39 10.948 3.917 8.842 88 H ILE 40 HN ILE 40 4.443 1.631 9.986 89 HA ILE 40 HA ILE 40 4.122 4.376 9.028 90 HB ILE 40 HB ILE 40 2.241 2.505 10.469 91 1HG1 ILE 40 2HG1 ILE 40 1.129 3.302 8.044 92 2HG1 ILE 40 3HG1 ILE 40 2.817 3.036 7.654 93 1HG2 ILE 40 1HG2 ILE 40 1.608 4.592 11.279 94 2HG2 ILE 40 2HG2 ILE 40 1.999 5.419 9.752 95 3HG2 ILE 40 3HG2 ILE 40 0.564 4.370 9.855 96 1HD1 ILE 40 1HD1 ILE 40 2.755 0.768 8.269 97 2HD1 ILE 40 2HD1 ILE 40 1.361 0.998 9.351 98 3HD1 ILE 40 3HD1 ILE 40 1.129 1.008 7.586 99 H LYS 41 HN LYS 41 3.589 6.066 10.663 100 HA LYS 41 HA LYS 41 5.530 6.314 12.550 101 1HB LYS 41 2HB LYS 41 3.793 7.956 13.616 102 2HB LYS 41 3HB LYS 41 4.475 8.287 12.037 103 1HG LYS 41 2HG LYS 41 2.449 8.103 11.016 104 2HG LYS 41 3HG LYS 41 2.111 6.572 11.798 105 1HD LYS 41 2HD LYS 41 0.966 7.556 13.563 106 2HD LYS 41 3HD LYS 41 1.959 8.999 13.551 107 1HE LYS 41 2HE LYS 41 0.798 9.881 11.594 108 2HE LYS 41 3HE LYS 41 -0.045 8.365 11.338 109 1HZ LYS 41 1HZ LYS 41 -1.584 9.547 12.476 110 2HZ LYS 41 2HZ LYS 41 -0.849 8.827 13.745 111 3HZ LYS 41 3HZ LYS 41 -0.502 10.380 13.374 112 H ARG 42 HN ARG 42 2.136 5.133 13.059 113 HA ARG 42 HA ARG 42 2.418 4.692 15.747 114 1HB ARG 42 2HB ARG 42 0.593 3.761 13.571 115 2HB ARG 42 3HB ARG 42 0.632 2.722 14.982 116 1HG ARG 42 2HG ARG 42 0.264 4.829 16.411 117 2HG ARG 42 3HG ARG 42 -0.023 5.701 14.919 118 1HD ARG 42 2HD ARG 42 -1.568 3.164 15.164 119 2HD ARG 42 3HD ARG 42 -1.976 4.374 16.366 120 HE ARG 42 HE ARG 42 -2.413 4.569 13.458 121 1HH1 ARG 42 2HH2 ARG 42 -2.274 6.298 16.519 122 2HH1 ARG 42 1HH2 ARG 42 -3.221 7.634 15.954 123 1HH2 ARG 42 2HH1 ARG 42 -3.662 6.330 12.712 124 2HH2 ARG 42 1HH1 ARG 42 -4.016 7.653 13.774 125 H ASP 43 HN ASP 43 3.370 2.742 12.909 126 HA ASP 43 HA ASP 43 3.802 0.381 14.378 127 1HB ASP 43 2HB ASP 43 5.121 1.178 11.747 128 2HB ASP 43 3HB ASP 43 4.835 -0.449 12.332 129 H CYS 44 HN CYS 44 5.548 3.374 13.776 130 HA CYS 44 HA CYS 44 8.142 2.273 14.257 131 1HB CYS 44 2HB CYS 44 7.523 4.358 12.835 132 2HB CYS 44 3HB CYS 44 7.459 5.211 14.364 133 H LYS 45 HN LYS 45 9.045 1.940 16.270 134 HA LYS 45 HA LYS 45 8.616 3.620 18.452 135 1HB LYS 45 2HB LYS 45 6.326 2.455 18.243 136 2HB LYS 45 3HB LYS 45 7.139 1.010 18.809 137 1HG LYS 45 2HG LYS 45 7.746 3.444 20.410 138 2HG LYS 45 3HG LYS 45 6.061 2.966 20.450 139 1HD LYS 45 2HD LYS 45 7.937 0.685 20.746 140 2HD LYS 45 3HD LYS 45 8.081 1.875 22.025 141 1HE LYS 45 2HE LYS 45 5.617 1.737 22.437 142 2HE LYS 45 3HE LYS 45 5.464 0.559 21.149 143 1HZ LYS 45 1HZ LYS 45 5.666 -0.397 23.388 144 2HZ LYS 45 2HZ LYS 45 6.809 -0.943 22.358 145 3HZ LYS 45 3HZ LYS 45 7.194 0.169 23.489 146 H GLU 46 HN GLU 46 10.961 3.119 17.663 147 HA GLU 46 HA GLU 46 12.014 0.605 18.257 148 1HB GLU 46 2HB GLU 46 14.192 1.667 17.938 149 2HB GLU 46 3HB GLU 46 13.075 2.269 16.729 150 1HG GLU 46 2HG GLU 46 13.339 3.784 19.332 151 2HG GLU 46 3HG GLU 46 14.613 3.943 18.140 152 H GLU 47 HN GLU 47 11.236 3.439 20.208 153 HA GLU 47 HA GLU 47 12.996 2.934 22.305 154 1HB GLU 47 2HB GLU 47 10.947 4.817 21.667 155 2HB GLU 47 3HB GLU 47 10.527 4.150 23.231 156 1HG GLU 47 2HG GLU 47 13.294 4.552 23.442 157 2HG GLU 47 3HG GLU 47 12.767 5.927 22.493 Start of MODEL 12 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.231 1.079 -1.394 3 1HB LYS 27 2HB LYS 27 2.782 1.210 0.537 4 2HB LYS 27 3HB LYS 27 2.883 -0.539 0.569 5 1HG LYS 27 2HG LYS 27 4.653 -0.265 -0.849 6 2HG LYS 27 3HG LYS 27 3.434 -0.051 -2.088 7 1HD LYS 27 2HD LYS 27 3.588 2.497 -0.955 8 2HD LYS 27 3HD LYS 27 5.249 1.948 -0.868 9 1HE LYS 27 2HE LYS 27 5.535 2.108 -3.128 10 2HE LYS 27 3HE LYS 27 4.029 1.278 -3.462 11 1HZ LYS 27 1HZ LYS 27 3.911 3.516 -4.220 12 2HZ LYS 27 2HZ LYS 27 2.879 3.357 -2.964 13 3HZ LYS 27 3HZ LYS 27 4.310 4.115 -2.754 14 H GLY 28 HN GLY 28 1.652 -0.102 -3.276 15 1HA GLY 28 1HA GLY 28 0.350 -2.696 -3.379 16 2HA GLY 28 2HA GLY 28 0.930 -1.730 -4.722 17 HA PRO 29 HA PRO 29 4.006 -5.024 -3.518 18 1HB PRO 29 2HB PRO 29 3.291 -7.132 -5.104 19 2HB PRO 29 3HB PRO 29 2.847 -7.011 -3.413 20 1HG PRO 29 2HG PRO 29 1.163 -6.593 -5.807 21 2HG PRO 29 3HG PRO 29 0.665 -6.894 -4.153 22 1HD PRO 29 2HD PRO 29 0.633 -4.375 -5.522 23 2HD PRO 29 3HD PRO 29 0.247 -4.656 -3.837 24 H VAL 30 HN VAL 30 5.984 -4.908 -4.408 25 HA VAL 30 HA VAL 30 5.949 -3.958 -7.171 26 HB VAL 30 HB VAL 30 7.070 -2.612 -5.446 27 1HG1 VAL 30 1HG1 VAL 30 9.402 -4.384 -5.177 28 2HG1 VAL 30 2HG1 VAL 30 8.555 -3.407 -3.955 29 3HG1 VAL 30 3HG1 VAL 30 7.928 -5.011 -4.402 30 1HG2 VAL 30 1HG2 VAL 30 9.211 -3.737 -7.252 31 2HG2 VAL 30 2HG2 VAL 30 7.833 -2.822 -7.909 32 3HG2 VAL 30 3HG2 VAL 30 8.937 -2.053 -6.743 33 H CYS 31 HN CYS 31 6.857 -5.113 -8.853 34 HA CYS 31 HA CYS 31 7.510 -7.859 -8.209 35 1HB CYS 31 2HB CYS 31 5.886 -7.380 -10.015 36 2HB CYS 31 3HB CYS 31 7.123 -6.516 -10.906 37 H PHE 32 HN PHE 32 9.637 -8.361 -7.818 38 HA PHE 32 HA PHE 32 11.677 -6.514 -8.676 39 1HB PHE 32 2HB PHE 32 11.197 -8.628 -6.689 40 2HB PHE 32 3HB PHE 32 12.700 -8.960 -7.526 41 HD1 PHE 32 HD1 PHE 32 14.472 -7.128 -7.577 42 HD2 PHE 32 HD2 PHE 32 11.102 -6.999 -5.000 43 HE1 PHE 32 HE1 PHE 32 15.653 -5.465 -6.114 44 HE2 PHE 32 HE2 PHE 32 12.283 -5.337 -3.537 45 HZ PHE 32 HZ PHE 32 14.546 -4.590 -4.112 46 H SER 33 HN SER 33 10.023 -8.477 -10.522 47 HA SER 33 HA SER 33 12.364 -9.776 -11.674 48 1HB SER 33 2HB SER 33 10.500 -11.293 -10.988 49 2HB SER 33 3HB SER 33 9.409 -10.431 -12.053 50 HG SER 33 HG SER 33 10.445 -11.229 -13.856 51 H CYS 34 HN CYS 34 9.383 -7.851 -12.354 52 HA CYS 34 HA CYS 34 10.504 -7.240 -14.986 53 1HB CYS 34 2HB CYS 34 8.187 -6.499 -15.564 54 2HB CYS 34 3HB CYS 34 8.323 -8.208 -15.202 55 H GLY 35 HN GLY 35 9.362 -6.006 -11.839 56 1HA GLY 35 1HA GLY 35 10.145 -4.060 -10.856 57 2HA GLY 35 2HA GLY 35 10.622 -3.435 -12.421 58 H LYS 36 HN LYS 36 7.435 -4.947 -12.007 59 HA LYS 36 HA LYS 36 6.248 -2.304 -12.419 60 1HB LYS 36 2HB LYS 36 5.937 -4.519 -13.914 61 2HB LYS 36 3HB LYS 36 4.655 -4.798 -12.754 62 1HG LYS 36 2HG LYS 36 3.352 -3.324 -13.877 63 2HG LYS 36 3HG LYS 36 4.464 -2.042 -13.440 64 1HD LYS 36 2HD LYS 36 4.994 -3.864 -15.822 65 2HD LYS 36 3HD LYS 36 4.004 -2.426 -15.973 66 1HE LYS 36 2HE LYS 36 6.810 -2.328 -14.785 67 2HE LYS 36 3HE LYS 36 6.531 -2.182 -16.509 68 1HZ LYS 36 1HZ LYS 36 4.962 -0.496 -14.753 69 2HZ LYS 36 2HZ LYS 36 6.537 -0.115 -14.957 70 3HZ LYS 36 3HZ LYS 36 5.540 -0.185 -16.248 71 H THR 37 HN THR 37 3.714 -2.575 -11.499 72 HA THR 37 HA THR 37 4.050 -3.373 -8.684 73 HB THR 37 HB THR 37 3.042 -1.306 -8.003 74 HG1 THR 37 HG1 THR 37 1.355 -0.945 -9.429 75 1HG2 THR 37 1HG2 THR 37 5.382 -1.119 -9.377 76 2HG2 THR 37 2HG2 THR 37 4.343 -0.172 -10.470 77 3HG2 THR 37 3HG2 THR 37 4.529 0.321 -8.769 78 H GLY 38 HN GLY 38 2.294 -4.326 -7.658 79 1HA GLY 38 1HA GLY 38 -0.113 -4.719 -7.719 80 2HA GLY 38 2HA GLY 38 0.024 -4.958 -9.449 81 H HIS 39 HN HIS 39 2.820 -6.165 -7.873 82 HA HIS 39 HA HIS 39 1.909 -8.596 -6.896 83 1HB HIS 39 2HB HIS 39 2.416 -10.142 -8.670 84 2HB HIS 39 3HB HIS 39 1.200 -9.006 -9.217 85 HD1 HIS 39 HD1 HIS 39 2.410 -6.796 -10.565 86 HD2 HIS 39 HD2 HIS 39 4.375 -10.501 -10.524 87 HE1 HIS 39 HE1 HIS 39 4.063 -6.750 -12.508 88 H ILE 40 HN ILE 40 3.726 -10.016 -6.289 89 HA ILE 40 HA ILE 40 6.186 -8.447 -6.139 90 HB ILE 40 HB ILE 40 5.156 -10.771 -4.514 91 1HG1 ILE 40 2HG1 ILE 40 5.640 -8.604 -2.848 92 2HG1 ILE 40 3HG1 ILE 40 4.957 -7.858 -4.280 93 1HG2 ILE 40 1HG2 ILE 40 7.166 -10.195 -3.046 94 2HG2 ILE 40 2HG2 ILE 40 7.481 -11.093 -4.550 95 3HG2 ILE 40 3HG2 ILE 40 7.816 -9.347 -4.469 96 1HD1 ILE 40 1HD1 ILE 40 3.671 -10.331 -3.077 97 2HD1 ILE 40 2HD1 ILE 40 3.319 -8.709 -2.433 98 3HD1 ILE 40 3HD1 ILE 40 2.938 -9.096 -4.129 99 H LYS 41 HN LYS 41 8.281 -9.670 -6.332 100 HA LYS 41 HA LYS 41 8.509 -10.846 -8.785 101 1HB LYS 41 2HB LYS 41 10.507 -10.098 -7.952 102 2HB LYS 41 3HB LYS 41 10.202 -10.701 -6.335 103 1HG LYS 41 2HG LYS 41 10.820 -12.923 -6.900 104 2HG LYS 41 3HG LYS 41 10.557 -12.667 -8.615 105 1HD LYS 41 2HD LYS 41 12.511 -10.833 -8.261 106 2HD LYS 41 3HD LYS 41 12.915 -11.879 -6.914 107 1HE LYS 41 2HE LYS 41 12.517 -12.902 -9.764 108 2HE LYS 41 3HE LYS 41 14.080 -12.447 -9.117 109 1HZ LYS 41 1HZ LYS 41 14.157 -14.278 -7.875 110 2HZ LYS 41 2HZ LYS 41 12.577 -14.242 -7.465 111 3HZ LYS 41 3HZ LYS 41 13.033 -14.868 -8.903 112 H ARG 42 HN ARG 42 8.323 -12.514 -5.564 113 HA ARG 42 HA ARG 42 8.419 -15.050 -6.580 114 1HB ARG 42 2HB ARG 42 7.130 -15.634 -4.396 115 2HB ARG 42 3HB ARG 42 8.666 -14.808 -4.219 116 1HG ARG 42 2HG ARG 42 7.691 -12.842 -3.483 117 2HG ARG 42 3HG ARG 42 6.287 -13.022 -4.517 118 1HD ARG 42 2HD ARG 42 5.085 -14.117 -2.901 119 2HD ARG 42 3HD ARG 42 6.442 -15.124 -2.439 120 HE ARG 42 HE ARG 42 5.645 -12.615 -1.194 121 1HH1 ARG 42 2HH2 ARG 42 8.397 -14.713 -1.834 122 2HH1 ARG 42 1HH2 ARG 42 9.315 -14.133 -0.486 123 1HH2 ARG 42 2HH1 ARG 42 6.857 -11.849 0.587 124 2HH2 ARG 42 1HH1 ARG 42 8.434 -12.493 0.901 125 H ASP 43 HN ASP 43 5.769 -12.692 -6.414 126 HA ASP 43 HA ASP 43 3.738 -14.616 -6.846 127 1HB ASP 43 2HB ASP 43 3.619 -11.617 -7.385 128 2HB ASP 43 3HB ASP 43 2.262 -12.681 -7.078 129 H CYS 44 HN CYS 44 6.030 -12.759 -8.767 130 HA CYS 44 HA CYS 44 4.495 -12.874 -11.179 131 1HB CYS 44 2HB CYS 44 6.277 -11.104 -10.472 132 2HB CYS 44 3HB CYS 44 7.447 -12.271 -11.053 133 H LYS 45 HN LYS 45 5.218 -14.132 -13.105 134 HA LYS 45 HA LYS 45 5.909 -16.787 -12.368 135 1HB LYS 45 2HB LYS 45 5.669 -17.248 -14.765 136 2HB LYS 45 3HB LYS 45 4.305 -16.347 -14.135 137 1HG LYS 45 2HG LYS 45 4.713 -14.576 -15.506 138 2HG LYS 45 3HG LYS 45 6.409 -14.529 -15.067 139 1HD LYS 45 2HD LYS 45 7.049 -15.986 -16.797 140 2HD LYS 45 3HD LYS 45 5.476 -16.756 -16.878 141 1HE LYS 45 2HE LYS 45 5.232 -13.909 -17.501 142 2HE LYS 45 3HE LYS 45 6.447 -14.647 -18.526 143 1HZ LYS 45 1HZ LYS 45 4.191 -14.814 -19.404 144 2HZ LYS 45 2HZ LYS 45 4.874 -16.282 -19.194 145 3HZ LYS 45 3HZ LYS 45 3.749 -15.745 -18.137 146 H GLU 46 HN GLU 46 7.979 -16.446 -11.295 147 HA GLU 46 HA GLU 46 10.114 -15.308 -12.704 148 1HB GLU 46 2HB GLU 46 11.505 -16.342 -10.871 149 2HB GLU 46 3HB GLU 46 10.170 -15.368 -10.288 150 1HG GLU 46 2HG GLU 46 8.840 -17.319 -9.767 151 2HG GLU 46 3HG GLU 46 9.907 -18.379 -10.665 152 H GLU 47 HN GLU 47 8.523 -18.390 -12.871 153 HA GLU 47 HA GLU 47 8.914 -20.228 -13.957 154 1HB GLU 47 2HB GLU 47 10.300 -18.166 -15.563 155 2HB GLU 47 3HB GLU 47 10.901 -19.786 -15.855 156 1HG GLU 47 2HG GLU 47 8.011 -19.902 -15.715 157 2HG GLU 47 3HG GLU 47 8.457 -18.601 -16.803 Start of MODEL 13 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.058 -0.510 -0.372 3 1HB LYS 27 2HB LYS 27 -0.315 -0.511 -1.904 4 2HB LYS 27 3HB LYS 27 0.835 0.451 -2.810 5 1HG LYS 27 2HG LYS 27 2.406 -1.326 -2.965 6 2HG LYS 27 3HG LYS 27 1.718 -2.186 -1.602 7 1HD LYS 27 2HD LYS 27 0.154 -1.742 -4.180 8 2HD LYS 27 3HD LYS 27 1.213 -3.123 -3.967 9 1HE LYS 27 2HE LYS 27 -0.089 -3.663 -1.820 10 2HE LYS 27 3HE LYS 27 -1.228 -2.413 -2.276 11 1HZ LYS 27 1HZ LYS 27 -1.876 -3.601 -4.122 12 2HZ LYS 27 2HZ LYS 27 -0.538 -4.536 -4.160 13 3HZ LYS 27 3HZ LYS 27 -1.674 -4.781 -3.012 14 H GLY 28 HN GLY 28 0.390 2.398 -1.775 15 1HA GLY 28 1HA GLY 28 2.237 4.253 -0.711 16 2HA GLY 28 2HA GLY 28 2.733 3.797 -2.329 17 HA PRO 29 HA PRO 29 -0.438 6.223 -4.047 18 1HB PRO 29 2HB PRO 29 -1.555 4.741 -6.053 19 2HB PRO 29 3HB PRO 29 -0.011 5.557 -6.209 20 1HG PRO 29 2HG PRO 29 -0.557 2.675 -5.830 21 2HG PRO 29 3HG PRO 29 0.907 3.449 -6.404 22 1HD PRO 29 2HD PRO 29 0.456 2.356 -3.791 23 2HD PRO 29 3HD PRO 29 1.874 3.233 -4.330 24 H VAL 30 HN VAL 30 -2.329 7.064 -3.408 25 HA VAL 30 HA VAL 30 -4.136 5.099 -2.221 26 HB VAL 30 HB VAL 30 -3.326 6.945 -0.834 27 1HG1 VAL 30 1HG1 VAL 30 -4.924 9.063 -2.055 28 2HG1 VAL 30 2HG1 VAL 30 -3.234 9.083 -1.493 29 3HG1 VAL 30 3HG1 VAL 30 -3.622 8.496 -3.128 30 1HG2 VAL 30 1HG2 VAL 30 -5.787 5.938 -0.844 31 2HG2 VAL 30 2HG2 VAL 30 -5.328 7.274 0.240 32 3HG2 VAL 30 3HG2 VAL 30 -6.211 7.614 -1.268 33 H CYS 31 HN CYS 31 -6.210 4.752 -2.980 34 HA CYS 31 HA CYS 31 -6.739 5.923 -5.580 35 1HB CYS 31 2HB CYS 31 -6.879 3.464 -5.307 36 2HB CYS 31 3HB CYS 31 -8.160 3.666 -4.129 37 H PHE 32 HN PHE 32 -7.903 7.815 -5.591 38 HA PHE 32 HA PHE 32 -9.498 8.491 -3.293 39 1HB PHE 32 2HB PHE 32 -9.153 9.879 -6.014 40 2HB PHE 32 3HB PHE 32 -9.673 10.646 -4.526 41 HD1 PHE 32 HD1 PHE 32 -6.799 9.264 -6.341 42 HD2 PHE 32 HD2 PHE 32 -8.075 11.288 -2.837 43 HE1 PHE 32 HE1 PHE 32 -4.418 9.867 -5.822 44 HE2 PHE 32 HE2 PHE 32 -5.695 11.891 -2.317 45 HZ PHE 32 HZ PHE 32 -3.895 11.174 -3.817 46 H SER 33 HN SER 33 -10.142 6.287 -5.505 47 HA SER 33 HA SER 33 -12.776 7.341 -6.159 48 1HB SER 33 2HB SER 33 -11.309 6.558 -8.053 49 2HB SER 33 3HB SER 33 -11.312 4.948 -7.359 50 HG SER 33 HG SER 33 -13.854 5.438 -7.469 51 H CYS 34 HN CYS 34 -10.977 4.493 -4.846 52 HA CYS 34 HA CYS 34 -13.524 3.489 -3.815 53 1HB CYS 34 2HB CYS 34 -12.307 1.331 -3.512 54 2HB CYS 34 3HB CYS 34 -12.436 1.844 -5.182 55 H GLY 35 HN GLY 35 -10.194 4.571 -3.069 56 1HA GLY 35 1HA GLY 35 -9.635 5.656 -1.084 57 2HA GLY 35 2HA GLY 35 -10.969 4.873 -0.259 58 H LYS 36 HN LYS 36 -8.841 3.019 -2.426 59 HA LYS 36 HA LYS 36 -7.843 1.614 -0.058 60 1HB LYS 36 2HB LYS 36 -9.095 0.675 -2.371 61 2HB LYS 36 3HB LYS 36 -7.402 0.303 -2.627 62 1HG LYS 36 2HG LYS 36 -8.113 -1.583 -1.428 63 2HG LYS 36 3HG LYS 36 -7.463 -0.584 -0.143 64 1HD LYS 36 2HD LYS 36 -9.536 -1.165 0.768 65 2HD LYS 36 3HD LYS 36 -9.931 0.368 0.015 66 1HE LYS 36 2HE LYS 36 -11.666 -1.154 -0.659 67 2HE LYS 36 3HE LYS 36 -10.646 -0.946 -2.068 68 1HZ LYS 36 1HZ LYS 36 -10.613 -3.205 -0.196 69 2HZ LYS 36 2HZ LYS 36 -11.029 -3.231 -1.774 70 3HZ LYS 36 3HZ LYS 36 -9.473 -2.984 -1.345 71 H THR 37 HN THR 37 -5.579 0.411 -0.924 72 HA THR 37 HA THR 37 -3.910 2.630 -1.910 73 HB THR 37 HB THR 37 -2.327 2.185 -0.164 74 HG1 THR 37 HG1 THR 37 -2.378 -0.138 -0.333 75 1HG2 THR 37 1HG2 THR 37 -4.552 3.155 0.729 76 2HG2 THR 37 2HG2 THR 37 -4.969 1.492 1.209 77 3HG2 THR 37 3HG2 THR 37 -3.552 2.297 1.925 78 H GLY 38 HN GLY 38 -2.108 2.082 -3.192 79 1HA GLY 38 1HA GLY 38 -0.700 0.339 -4.086 80 2HA GLY 38 2HA GLY 38 -2.090 -0.730 -4.109 81 H HIS 39 HN HIS 39 -3.060 2.457 -4.912 82 HA HIS 39 HA HIS 39 -2.260 2.639 -7.561 83 1HB HIS 39 2HB HIS 39 -4.173 1.884 -8.793 84 2HB HIS 39 3HB HIS 39 -3.556 0.554 -7.833 85 HD1 HIS 39 HD1 HIS 39 -4.946 0.065 -5.517 86 HD2 HIS 39 HD2 HIS 39 -6.845 2.428 -8.417 87 HE1 HIS 39 HE1 HIS 39 -7.430 0.055 -4.934 88 H ILE 40 HN ILE 40 -3.334 4.466 -8.662 89 HA ILE 40 HA ILE 40 -4.541 6.234 -6.670 90 HB ILE 40 HB ILE 40 -3.137 6.788 -9.284 91 1HG1 ILE 40 2HG1 ILE 40 -1.841 8.105 -7.202 92 2HG1 ILE 40 3HG1 ILE 40 -2.257 6.553 -6.505 93 1HG2 ILE 40 1HG2 ILE 40 -4.773 8.467 -9.144 94 2HG2 ILE 40 2HG2 ILE 40 -4.585 8.629 -7.381 95 3HG2 ILE 40 3HG2 ILE 40 -3.298 9.201 -8.470 96 1HD1 ILE 40 1HD1 ILE 40 -1.025 5.339 -8.118 97 2HD1 ILE 40 2HD1 ILE 40 -1.039 6.688 -9.279 98 3HD1 ILE 40 3HD1 ILE 40 -0.008 6.771 -7.830 99 H LYS 41 HN LYS 41 -6.304 7.718 -7.468 100 HA LYS 41 HA LYS 41 -8.457 6.286 -8.349 101 1HB LYS 41 2HB LYS 41 -8.814 8.335 -7.229 102 2HB LYS 41 3HB LYS 41 -7.831 9.239 -8.362 103 1HG LYS 41 2HG LYS 41 -9.903 7.906 -9.867 104 2HG LYS 41 3HG LYS 41 -10.661 8.688 -8.493 105 1HD LYS 41 2HD LYS 41 -8.604 10.282 -10.004 106 2HD LYS 41 3HD LYS 41 -10.134 9.995 -10.810 107 1HE LYS 41 2HE LYS 41 -10.086 11.001 -7.944 108 2HE LYS 41 3HE LYS 41 -9.871 12.122 -9.274 109 1HZ LYS 41 1HZ LYS 41 -11.989 11.874 -9.904 110 2HZ LYS 41 2HZ LYS 41 -12.069 10.285 -9.536 111 3HZ LYS 41 3HZ LYS 41 -12.225 11.405 -8.359 112 H ARG 42 HN ARG 42 -6.319 8.472 -10.310 113 HA ARG 42 HA ARG 42 -7.607 8.037 -12.682 114 1HB ARG 42 2HB ARG 42 -5.371 8.708 -13.722 115 2HB ARG 42 3HB ARG 42 -5.968 9.811 -12.499 116 1HG ARG 42 2HG ARG 42 -4.132 9.478 -11.211 117 2HG ARG 42 3HG ARG 42 -4.393 7.745 -11.203 118 1HD ARG 42 2HD ARG 42 -2.191 8.256 -12.195 119 2HD ARG 42 3HD ARG 42 -3.239 7.546 -13.408 120 HE ARG 42 HE ARG 42 -3.174 9.557 -14.599 121 1HH1 ARG 42 2HH2 ARG 42 -2.189 10.168 -11.276 122 2HH1 ARG 42 1HH2 ARG 42 -1.744 11.815 -11.577 123 1HH2 ARG 42 2HH1 ARG 42 -2.586 11.729 -14.996 124 2HH2 ARG 42 1HH1 ARG 42 -1.972 12.709 -13.706 125 H ASP 43 HN ASP 43 -5.286 6.045 -10.878 126 HA ASP 43 HA ASP 43 -4.662 4.404 -13.109 127 1HB ASP 43 2HB ASP 43 -4.307 3.713 -10.164 128 2HB ASP 43 3HB ASP 43 -3.388 3.086 -11.518 129 H CYS 44 HN CYS 44 -7.168 4.665 -10.666 130 HA CYS 44 HA CYS 44 -7.895 1.915 -10.657 131 1HB CYS 44 2HB CYS 44 -8.322 3.710 -8.831 132 2HB CYS 44 3HB CYS 44 -9.698 4.182 -9.806 133 H LYS 45 HN LYS 45 -9.632 0.933 -11.825 134 HA LYS 45 HA LYS 45 -10.318 2.336 -14.260 135 1HB LYS 45 2HB LYS 45 -9.548 -0.172 -13.919 136 2HB LYS 45 3HB LYS 45 -11.251 -0.438 -13.603 137 1HG LYS 45 2HG LYS 45 -11.539 -0.534 -15.855 138 2HG LYS 45 3HG LYS 45 -11.291 1.201 -15.874 139 1HD LYS 45 2HD LYS 45 -8.736 0.642 -15.955 140 2HD LYS 45 3HD LYS 45 -9.236 -0.986 -16.365 141 1HE LYS 45 2HE LYS 45 -10.118 -0.352 -18.444 142 2HE LYS 45 3HE LYS 45 -10.474 1.283 -17.918 143 1HZ LYS 45 1HZ LYS 45 -7.755 0.981 -17.723 144 2HZ LYS 45 2HZ LYS 45 -8.161 0.318 -19.158 145 3HZ LYS 45 3HZ LYS 45 -8.572 1.863 -18.828 146 H GLU 46 HN GLU 46 -11.529 3.986 -12.853 147 HA GLU 46 HA GLU 46 -13.982 3.021 -11.768 148 1HB GLU 46 2HB GLU 46 -14.390 5.420 -11.238 149 2HB GLU 46 3HB GLU 46 -12.823 4.877 -10.670 150 1HG GLU 46 2HG GLU 46 -11.688 5.922 -12.565 151 2HG GLU 46 3HG GLU 46 -13.212 6.274 -13.356 152 H GLU 47 HN GLU 47 -12.808 4.555 -14.759 153 HA GLU 47 HA GLU 47 -15.570 4.545 -15.705 154 1HB GLU 47 2HB GLU 47 -14.929 6.325 -17.278 155 2HB GLU 47 3HB GLU 47 -14.579 6.814 -15.633 156 1HG GLU 47 2HG GLU 47 -12.239 5.462 -16.552 157 2HG GLU 47 3HG GLU 47 -12.744 6.492 -17.877 Start of MODEL 14 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.817 -0.744 -0.593 3 1HB LYS 27 2HB LYS 27 0.003 1.056 -2.204 4 2HB LYS 27 3HB LYS 27 1.495 0.421 -2.867 5 1HG LYS 27 2HG LYS 27 -0.463 -1.464 -1.525 6 2HG LYS 27 3HG LYS 27 -0.767 -0.929 -3.166 7 1HD LYS 27 2HD LYS 27 1.312 -1.869 -3.967 8 2HD LYS 27 3HD LYS 27 1.917 -2.110 -2.340 9 1HE LYS 27 2HE LYS 27 0.862 -4.119 -2.137 10 2HE LYS 27 3HE LYS 27 -0.661 -3.466 -2.710 11 1HZ LYS 27 1HZ LYS 27 0.058 -3.743 -4.934 12 2HZ LYS 27 2HZ LYS 27 1.574 -4.154 -4.487 13 3HZ LYS 27 3HZ LYS 27 0.327 -5.158 -4.164 14 H GLY 28 HN GLY 28 3.480 0.658 -2.112 15 1HA GLY 28 1HA GLY 28 4.348 2.872 -0.355 16 2HA GLY 28 2HA GLY 28 5.417 1.791 -1.227 17 HA PRO 29 HA PRO 29 4.242 5.497 -3.804 18 1HB PRO 29 2HB PRO 29 6.227 7.287 -3.235 19 2HB PRO 29 3HB PRO 29 4.634 7.360 -2.508 20 1HG PRO 29 2HG PRO 29 7.179 6.455 -1.307 21 2HG PRO 29 3HG PRO 29 5.696 6.933 -0.506 22 1HD PRO 29 2HD PRO 29 6.650 4.257 -0.893 23 2HD PRO 29 3HD PRO 29 5.115 4.731 -0.195 24 H VAL 30 HN VAL 30 4.734 5.358 -5.906 25 HA VAL 30 HA VAL 30 7.302 4.076 -6.426 26 HB VAL 30 HB VAL 30 5.266 3.050 -7.304 27 1HG1 VAL 30 1HG1 VAL 30 4.735 4.980 -9.425 28 2HG1 VAL 30 2HG1 VAL 30 3.610 4.175 -8.305 29 3HG1 VAL 30 3HG1 VAL 30 4.445 5.667 -7.810 30 1HG2 VAL 30 1HG2 VAL 30 6.011 3.320 -9.865 31 2HG2 VAL 30 2HG2 VAL 30 7.425 4.073 -9.088 32 3HG2 VAL 30 3HG2 VAL 30 6.968 2.402 -8.678 33 H CYS 31 HN CYS 31 8.963 5.073 -7.530 34 HA CYS 31 HA CYS 31 8.622 7.923 -7.906 35 1HB CYS 31 2HB CYS 31 10.582 7.077 -6.651 36 2HB CYS 31 3HB CYS 31 11.125 6.210 -8.073 37 H PHE 32 HN PHE 32 7.948 8.632 -9.899 38 HA PHE 32 HA PHE 32 8.192 6.863 -12.161 39 1HB PHE 32 2HB PHE 32 6.550 9.051 -11.203 40 2HB PHE 32 3HB PHE 32 7.272 9.595 -12.704 41 HD1 PHE 32 HD1 PHE 32 4.424 8.229 -11.461 42 HD2 PHE 32 HD2 PHE 32 7.258 7.496 -14.534 43 HE1 PHE 32 HE1 PHE 32 2.692 6.955 -12.756 44 HE2 PHE 32 HE2 PHE 32 5.525 6.223 -15.829 45 HZ PHE 32 HZ PHE 32 3.262 5.968 -14.924 46 H SER 33 HN SER 33 10.538 8.450 -10.737 47 HA SER 33 HA SER 33 11.462 9.768 -13.166 48 1HB SER 33 2HB SER 33 12.181 11.444 -11.836 49 2HB SER 33 3HB SER 33 11.421 10.643 -10.476 50 HG SER 33 HG SER 33 13.418 9.438 -10.146 51 H CYS 34 HN CYS 34 12.366 7.543 -10.463 52 HA CYS 34 HA CYS 34 14.654 6.687 -12.070 53 1HB CYS 34 2HB CYS 34 15.496 5.681 -9.942 54 2HB CYS 34 3HB CYS 34 15.361 7.427 -9.903 55 H GLY 35 HN GLY 35 11.607 5.766 -10.451 56 1HA GLY 35 1HA GLY 35 10.238 4.041 -11.181 57 2HA GLY 35 2HA GLY 35 11.600 3.261 -11.959 58 H LYS 36 HN LYS 36 11.926 4.541 -8.662 59 HA LYS 36 HA LYS 36 12.148 1.776 -7.728 60 1HB LYS 36 2HB LYS 36 14.051 3.561 -7.567 61 2HB LYS 36 3HB LYS 36 13.127 4.190 -6.218 62 1HG LYS 36 2HG LYS 36 13.305 1.283 -6.020 63 2HG LYS 36 3HG LYS 36 14.909 1.962 -6.212 64 1HD LYS 36 2HD LYS 36 12.998 3.242 -4.242 65 2HD LYS 36 3HD LYS 36 13.813 1.756 -3.795 66 1HE LYS 36 2HE LYS 36 15.797 3.475 -4.964 67 2HE LYS 36 3HE LYS 36 14.874 4.453 -3.841 68 1HZ LYS 36 1HZ LYS 36 16.341 1.987 -3.281 69 2HZ LYS 36 2HZ LYS 36 16.515 3.451 -2.581 70 3HZ LYS 36 3HZ LYS 36 15.199 2.541 -2.254 71 H THR 37 HN THR 37 11.704 1.945 -5.064 72 HA THR 37 HA THR 37 9.016 3.132 -4.853 73 HB THR 37 HB THR 37 8.223 1.095 -3.868 74 HG1 THR 37 HG1 THR 37 9.730 0.108 -2.586 75 1HG2 THR 37 1HG2 THR 37 10.111 -0.454 -5.516 76 2HG2 THR 37 2HG2 THR 37 8.349 -0.279 -5.697 77 3HG2 THR 37 3HG2 THR 37 9.441 0.932 -6.410 78 H GLY 38 HN GLY 38 8.448 4.082 -2.905 79 1HA GLY 38 1HA GLY 38 8.957 4.253 -0.521 80 2HA GLY 38 2HA GLY 38 10.658 4.278 -0.944 81 H HIS 39 HN HIS 39 8.840 5.905 -3.349 82 HA HIS 39 HA HIS 39 8.371 8.357 -2.140 83 1HB HIS 39 2HB HIS 39 10.240 9.699 -2.854 84 2HB HIS 39 3HB HIS 39 10.807 8.409 -1.812 85 HD1 HIS 39 HD1 HIS 39 11.637 6.149 -3.342 86 HD2 HIS 39 HD2 HIS 39 11.778 9.962 -5.085 87 HE1 HIS 39 HE1 HIS 39 13.264 5.980 -5.300 88 H ILE 40 HN ILE 40 7.680 9.985 -3.738 89 HA ILE 40 HA ILE 40 6.921 8.656 -6.228 90 HB ILE 40 HB ILE 40 5.821 11.078 -4.800 91 1HG1 ILE 40 2HG1 ILE 40 3.826 9.160 -5.133 92 2HG1 ILE 40 3HG1 ILE 40 5.240 8.217 -4.701 93 1HG2 ILE 40 1HG2 ILE 40 4.933 9.813 -7.406 94 2HG2 ILE 40 2HG2 ILE 40 4.057 11.081 -6.515 95 3HG2 ILE 40 3HG2 ILE 40 5.665 11.422 -7.200 96 1HD1 ILE 40 1HD1 ILE 40 4.578 10.736 -3.149 97 2HD1 ILE 40 2HD1 ILE 40 3.743 9.207 -2.786 98 3HD1 ILE 40 3HD1 ILE 40 5.513 9.314 -2.626 99 H LYS 41 HN LYS 41 6.933 10.029 -8.243 100 HA LYS 41 HA LYS 41 9.460 10.892 -8.818 101 1HB LYS 41 2HB LYS 41 8.174 10.405 -10.667 102 2HB LYS 41 3HB LYS 41 6.767 11.259 -10.068 103 1HG LYS 41 2HG LYS 41 9.135 13.004 -10.504 104 2HG LYS 41 3HG LYS 41 8.541 12.240 -11.965 105 1HD LYS 41 2HD LYS 41 6.263 13.115 -11.540 106 2HD LYS 41 3HD LYS 41 6.781 13.795 -10.011 107 1HE LYS 41 2HE LYS 41 8.511 14.668 -12.231 108 2HE LYS 41 3HE LYS 41 6.833 15.086 -12.516 109 1HZ LYS 41 1HZ LYS 41 7.272 15.681 -9.900 110 2HZ LYS 41 2HZ LYS 41 8.634 16.182 -10.648 111 3HZ LYS 41 3HZ LYS 41 7.180 16.748 -11.133 112 H ARG 42 HN ARG 42 6.578 12.941 -7.982 113 HA ARG 42 HA ARG 42 7.915 15.323 -8.089 114 1HB ARG 42 2HB ARG 42 6.026 16.245 -6.892 115 2HB ARG 42 3HB ARG 42 5.396 14.925 -7.857 116 1HG ARG 42 2HG ARG 42 5.724 13.425 -5.774 117 2HG ARG 42 3HG ARG 42 6.014 14.900 -4.872 118 1HD ARG 42 2HD ARG 42 3.553 14.856 -6.596 119 2HD ARG 42 3HD ARG 42 3.532 13.820 -5.182 120 HE ARG 42 HE ARG 42 3.560 15.725 -3.780 121 1HH1 ARG 42 2HH2 ARG 42 4.102 16.657 -7.130 122 2HH1 ARG 42 1HH2 ARG 42 3.889 18.348 -6.828 123 1HH2 ARG 42 2HH1 ARG 42 3.278 17.958 -3.381 124 2HH2 ARG 42 1HH1 ARG 42 3.418 19.094 -4.681 125 H ASP 43 HN ASP 43 7.856 12.784 -5.610 126 HA ASP 43 HA ASP 43 8.874 14.458 -3.564 127 1HB ASP 43 2HB ASP 43 8.996 11.414 -3.726 128 2HB ASP 43 3HB ASP 43 9.062 12.391 -2.273 129 H CYS 44 HN CYS 44 10.116 12.565 -6.261 130 HA CYS 44 HA CYS 44 12.736 12.238 -5.160 131 1HB CYS 44 2HB CYS 44 11.501 10.736 -6.904 132 2HB CYS 44 3HB CYS 44 12.058 11.911 -8.079 133 H LYS 45 HN LYS 45 14.550 13.553 -5.588 134 HA LYS 45 HA LYS 45 15.527 15.532 -5.897 135 1HB LYS 45 2HB LYS 45 15.997 14.457 -8.000 136 2HB LYS 45 3HB LYS 45 14.448 14.935 -8.663 137 1HG LYS 45 2HG LYS 45 15.298 17.398 -8.053 138 2HG LYS 45 3HG LYS 45 16.878 16.644 -8.098 139 1HD LYS 45 2HD LYS 45 16.874 16.687 -10.363 140 2HD LYS 45 3HD LYS 45 15.405 15.732 -10.407 141 1HE LYS 45 2HE LYS 45 14.343 18.158 -9.719 142 2HE LYS 45 3HE LYS 45 15.748 18.704 -10.613 143 1HZ LYS 45 1HZ LYS 45 13.389 17.514 -11.587 144 2HZ LYS 45 2HZ LYS 45 14.566 18.291 -12.410 145 3HZ LYS 45 3HZ LYS 45 14.698 16.691 -12.110 146 H GLU 46 HN GLU 46 14.348 16.863 -4.463 147 HA GLU 46 HA GLU 46 11.897 17.986 -5.214 148 1HB GLU 46 2HB GLU 46 12.159 19.366 -3.199 149 2HB GLU 46 3HB GLU 46 12.622 17.711 -2.857 150 1HG GLU 46 2HG GLU 46 15.035 18.796 -3.697 151 2HG GLU 46 3HG GLU 46 14.293 20.171 -2.903 152 H GLU 47 HN GLU 47 15.282 18.836 -5.783 153 HA GLU 47 HA GLU 47 14.467 21.461 -6.706 154 1HB GLU 47 2HB GLU 47 16.730 20.551 -5.321 155 2HB GLU 47 3HB GLU 47 17.325 20.795 -6.952 156 1HG GLU 47 2HG GLU 47 17.585 22.958 -6.165 157 2HG GLU 47 3HG GLU 47 15.936 23.089 -6.745 Start of MODEL 15 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.789 1.210 -0.839 3 1HB LYS 27 2HB LYS 27 2.017 -1.473 0.417 4 2HB LYS 27 3HB LYS 27 2.838 -1.271 -1.117 5 1HG LYS 27 2HG LYS 27 3.538 1.080 0.144 6 2HG LYS 27 3HG LYS 27 3.409 0.003 1.520 7 1HD LYS 27 2HD LYS 27 5.647 -0.313 0.875 8 2HD LYS 27 3HD LYS 27 4.855 -1.656 0.077 9 1HE LYS 27 2HE LYS 27 5.190 1.000 -1.361 10 2HE LYS 27 3HE LYS 27 6.511 -0.150 -1.307 11 1HZ LYS 27 1HZ LYS 27 4.720 -1.784 -2.092 12 2HZ LYS 27 2HZ LYS 27 3.899 -0.451 -2.554 13 3HZ LYS 27 3HZ LYS 27 5.378 -0.756 -3.175 14 H GLY 28 HN GLY 28 1.861 1.189 -3.072 15 1HA GLY 28 1HA GLY 28 -0.444 0.096 -4.403 16 2HA GLY 28 2HA GLY 28 0.846 1.055 -5.100 17 HA PRO 29 HA PRO 29 1.396 -3.476 -6.030 18 1HB PRO 29 2HB PRO 29 0.163 -3.736 -8.455 19 2HB PRO 29 3HB PRO 29 -0.591 -4.197 -6.943 20 1HG PRO 29 2HG PRO 29 -1.115 -1.825 -8.627 21 2HG PRO 29 3HG PRO 29 -2.118 -2.523 -7.370 22 1HD PRO 29 2HD PRO 29 -0.495 -0.166 -7.161 23 2HD PRO 29 3HD PRO 29 -1.407 -0.930 -5.873 24 H VAL 30 HN VAL 30 3.324 -4.091 -6.811 25 HA VAL 30 HA VAL 30 4.515 -2.138 -8.625 26 HB VAL 30 HB VAL 30 5.665 -2.670 -6.530 27 1HG1 VAL 30 1HG1 VAL 30 6.685 -5.286 -7.199 28 2HG1 VAL 30 2HG1 VAL 30 5.847 -4.742 -5.726 29 3HG1 VAL 30 3HG1 VAL 30 4.908 -5.327 -7.121 30 1HG2 VAL 30 1HG2 VAL 30 7.878 -3.460 -7.633 31 2HG2 VAL 30 2HG2 VAL 30 6.953 -3.412 -9.153 32 3HG2 VAL 30 3HG2 VAL 30 7.144 -1.934 -8.181 33 H CYS 31 HN CYS 31 5.104 -2.632 -10.718 34 HA CYS 31 HA CYS 31 4.083 -5.158 -11.695 35 1HB CYS 31 2HB CYS 31 3.469 -3.057 -12.854 36 2HB CYS 31 3HB CYS 31 5.158 -2.759 -13.217 37 H PHE 32 HN PHE 32 5.473 -6.888 -11.761 38 HA PHE 32 HA PHE 32 8.309 -6.396 -11.621 39 1HB PHE 32 2HB PHE 32 6.457 -8.332 -10.734 40 2HB PHE 32 3HB PHE 32 7.230 -9.149 -12.078 41 HD1 PHE 32 HD1 PHE 32 7.370 -8.715 -8.661 42 HD2 PHE 32 HD2 PHE 32 9.928 -8.818 -12.045 43 HE1 PHE 32 HE1 PHE 32 9.304 -9.322 -7.180 44 HE2 PHE 32 HE2 PHE 32 11.862 -9.425 -10.565 45 HZ PHE 32 HZ PHE 32 11.527 -9.670 -8.150 46 H SER 33 HN SER 33 6.436 -5.915 -14.125 47 HA SER 33 HA SER 33 8.004 -7.576 -15.937 48 1HB SER 33 2HB SER 33 5.519 -7.855 -16.052 49 2HB SER 33 3HB SER 33 5.351 -6.152 -16.433 50 HG SER 33 HG SER 33 5.342 -7.604 -18.324 51 H CYS 34 HN CYS 34 6.708 -4.263 -15.299 52 HA CYS 34 HA CYS 34 8.633 -3.247 -17.255 53 1HB CYS 34 2HB CYS 34 7.263 -1.158 -17.199 54 2HB CYS 34 3HB CYS 34 6.406 -2.557 -17.815 55 H GLY 35 HN GLY 35 7.502 -3.253 -13.872 56 1HA GLY 35 1HA GLY 35 8.874 -2.850 -12.050 57 2HA GLY 35 2HA GLY 35 9.998 -1.965 -13.063 58 H LYS 36 HN LYS 36 6.505 -1.361 -13.319 59 HA LYS 36 HA LYS 36 6.991 1.289 -12.176 60 1HB LYS 36 2HB LYS 36 5.991 0.664 -14.605 61 2HB LYS 36 3HB LYS 36 4.499 0.698 -13.688 62 1HG LYS 36 2HG LYS 36 5.756 2.972 -12.736 63 2HG LYS 36 3HG LYS 36 6.344 2.931 -14.386 64 1HD LYS 36 2HD LYS 36 3.681 2.373 -14.799 65 2HD LYS 36 3HD LYS 36 3.571 3.380 -13.369 66 1HE LYS 36 2HE LYS 36 4.315 5.278 -14.470 67 2HE LYS 36 3HE LYS 36 5.414 4.384 -15.502 68 1HZ LYS 36 1HZ LYS 36 3.783 3.964 -16.987 69 2HZ LYS 36 2HZ LYS 36 2.574 3.960 -15.888 70 3HZ LYS 36 3HZ LYS 36 3.203 5.375 -16.407 71 H THR 37 HN THR 37 4.544 2.125 -11.385 72 HA THR 37 HA THR 37 3.664 0.069 -9.467 73 HB THR 37 HB THR 37 3.711 1.714 -7.724 74 HG1 THR 37 HG1 THR 37 3.881 3.983 -8.365 75 1HG2 THR 37 1HG2 THR 37 6.032 2.564 -9.530 76 2HG2 THR 37 2HG2 THR 37 5.943 2.720 -7.760 77 3HG2 THR 37 3HG2 THR 37 6.069 1.109 -8.506 78 H GLY 38 HN GLY 38 1.463 -0.018 -8.967 79 1HA GLY 38 1HA GLY 38 -0.689 1.099 -9.093 80 2HA GLY 38 2HA GLY 38 -0.243 1.684 -10.683 81 H HIS 39 HN HIS 39 1.030 -1.458 -10.229 82 HA HIS 39 HA HIS 39 -1.208 -3.044 -10.639 83 1HB HIS 39 2HB HIS 39 -1.158 -3.506 -12.993 84 2HB HIS 39 3HB HIS 39 -1.402 -1.787 -12.755 85 HD1 HIS 39 HD1 HIS 39 0.778 -0.223 -13.165 86 HD2 HIS 39 HD2 HIS 39 1.033 -4.177 -14.541 87 HE1 HIS 39 HE1 HIS 39 2.728 -0.283 -14.808 88 H ILE 40 HN ILE 40 -0.592 -5.316 -11.047 89 HA ILE 40 HA ILE 40 2.193 -5.725 -10.260 90 HB ILE 40 HB ILE 40 -0.249 -7.491 -10.083 91 1HG1 ILE 40 2HG1 ILE 40 0.821 -7.117 -7.550 92 2HG1 ILE 40 3HG1 ILE 40 1.001 -5.540 -8.292 93 1HG2 ILE 40 1HG2 ILE 40 2.654 -8.052 -9.479 94 2HG2 ILE 40 2HG2 ILE 40 1.329 -8.941 -8.689 95 3HG2 ILE 40 3HG2 ILE 40 1.509 -8.998 -10.460 96 1HD1 ILE 40 1HD1 ILE 40 -1.325 -5.303 -8.677 97 2HD1 ILE 40 2HD1 ILE 40 -1.617 -7.054 -8.545 98 3HD1 ILE 40 3HD1 ILE 40 -1.252 -6.100 -7.087 99 H LYS 41 HN LYS 41 3.343 -7.628 -11.248 100 HA LYS 41 HA LYS 41 3.557 -7.351 -13.955 101 1HB LYS 41 2HB LYS 41 5.368 -8.384 -13.004 102 2HB LYS 41 3HB LYS 41 4.398 -9.400 -11.957 103 1HG LYS 41 2HG LYS 41 3.660 -10.718 -13.988 104 2HG LYS 41 3HG LYS 41 4.731 -9.743 -14.976 105 1HD LYS 41 2HD LYS 41 6.601 -10.860 -14.274 106 2HD LYS 41 3HD LYS 41 6.087 -10.863 -12.598 107 1HE LYS 41 2HE LYS 41 6.015 -13.155 -13.138 108 2HE LYS 41 3HE LYS 41 4.344 -12.678 -13.357 109 1HZ LYS 41 1HZ LYS 41 4.506 -13.264 -15.456 110 2HZ LYS 41 2HZ LYS 41 5.725 -12.210 -15.727 111 3HZ LYS 41 3HZ LYS 41 6.056 -13.734 -15.244 112 H ARG 42 HN ARG 42 1.723 -9.914 -12.149 113 HA ARG 42 HA ARG 42 0.773 -11.172 -14.385 114 1HB ARG 42 2HB ARG 42 -0.278 -10.891 -11.544 115 2HB ARG 42 3HB ARG 42 -1.190 -11.805 -12.729 116 1HG ARG 42 2HG ARG 42 1.134 -13.006 -13.191 117 2HG ARG 42 3HG ARG 42 1.568 -12.379 -11.613 118 1HD ARG 42 2HD ARG 42 -1.029 -13.476 -11.267 119 2HD ARG 42 3HD ARG 42 -0.189 -14.627 -12.286 120 HE ARG 42 HE ARG 42 0.481 -13.933 -9.501 121 1HH1 ARG 42 2HH2 ARG 42 1.558 -15.475 -12.475 122 2HH1 ARG 42 1HH2 ARG 42 2.752 -16.452 -11.686 123 1HH2 ARG 42 2HH1 ARG 42 2.054 -15.221 -8.460 124 2HH2 ARG 42 1HH1 ARG 42 3.036 -16.306 -9.387 125 H ASP 43 HN ASP 43 -0.254 -8.188 -12.754 126 HA ASP 43 HA ASP 43 -2.788 -8.113 -14.014 127 1HB ASP 43 2HB ASP 43 -1.233 -5.778 -12.821 128 2HB ASP 43 3HB ASP 43 -2.970 -5.888 -13.029 129 H CYS 44 HN CYS 44 0.522 -7.332 -14.834 130 HA CYS 44 HA CYS 44 -0.120 -5.291 -16.729 131 1HB CYS 44 2HB CYS 44 2.094 -5.642 -15.387 132 2HB CYS 44 3HB CYS 44 2.498 -6.783 -16.653 133 H LYS 45 HN LYS 45 -1.513 -6.098 -18.335 134 HA LYS 45 HA LYS 45 -0.336 -7.816 -20.265 135 1HB LYS 45 2HB LYS 45 -1.056 -9.501 -18.598 136 2HB LYS 45 3HB LYS 45 -2.702 -8.913 -18.717 137 1HG LYS 45 2HG LYS 45 -2.658 -10.753 -20.215 138 2HG LYS 45 3HG LYS 45 -2.513 -9.360 -21.269 139 1HD LYS 45 2HD LYS 45 -0.455 -10.005 -21.989 140 2HD LYS 45 3HD LYS 45 0.132 -10.206 -20.350 141 1HE LYS 45 2HE LYS 45 -0.310 -12.474 -20.316 142 2HE LYS 45 3HE LYS 45 -1.777 -12.314 -21.261 143 1HZ LYS 45 1HZ LYS 45 -0.225 -13.360 -22.621 144 2HZ LYS 45 2HZ LYS 45 -0.266 -11.825 -23.176 145 3HZ LYS 45 3HZ LYS 45 0.980 -12.324 -22.247 146 H GLU 46 HN GLU 46 -0.743 -5.567 -21.144 147 HA GLU 46 HA GLU 46 -3.510 -4.985 -21.613 148 1HB GLU 46 2HB GLU 46 -1.989 -3.134 -21.111 149 2HB GLU 46 3HB GLU 46 -0.938 -3.574 -22.442 150 1HG GLU 46 2HG GLU 46 -2.453 -2.814 -24.079 151 2HG GLU 46 3HG GLU 46 -3.848 -3.018 -23.038 152 H GLU 47 HN GLU 47 -0.554 -5.468 -23.690 153 HA GLU 47 HA GLU 47 -2.230 -6.930 -25.527 154 1HB GLU 47 2HB GLU 47 -1.050 -4.249 -26.068 155 2HB GLU 47 3HB GLU 47 -0.781 -5.438 -27.327 156 1HG GLU 47 2HG GLU 47 -3.249 -5.929 -27.365 157 2HG GLU 47 3HG GLU 47 -3.499 -4.695 -26.147 Start of MODEL 16 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.154 0.882 -0.429 3 1HB LYS 27 2HB LYS 27 2.752 -1.239 -1.432 4 2HB LYS 27 3HB LYS 27 2.240 -1.487 0.225 5 1HG LYS 27 2HG LYS 27 -0.147 -1.699 -1.267 6 2HG LYS 27 3HG LYS 27 1.047 -2.504 -2.264 7 1HD LYS 27 2HD LYS 27 1.275 -3.196 0.610 8 2HD LYS 27 3HD LYS 27 -0.274 -3.636 -0.083 9 1HE LYS 27 2HE LYS 27 1.038 -4.731 -2.017 10 2HE LYS 27 3HE LYS 27 2.487 -4.487 -1.063 11 1HZ LYS 27 1HZ LYS 27 0.259 -5.738 0.279 12 2HZ LYS 27 2HZ LYS 27 1.015 -6.631 -0.860 13 3HZ LYS 27 3HZ LYS 27 1.857 -6.043 0.410 14 H GLY 28 HN GLY 28 2.450 1.880 -2.379 15 1HA GLY 28 1HA GLY 28 0.514 2.966 -3.856 16 2HA GLY 28 2HA GLY 28 2.048 2.462 -4.540 17 HA PRO 29 HA PRO 29 -1.356 -0.740 -5.491 18 1HB PRO 29 2HB PRO 29 -3.884 0.268 -5.731 19 2HB PRO 29 3HB PRO 29 -3.310 -0.547 -4.290 20 1HG PRO 29 2HG PRO 29 -3.743 2.343 -4.737 21 2HG PRO 29 3HG PRO 29 -3.588 1.478 -3.220 22 1HD PRO 29 2HD PRO 29 -1.587 3.100 -4.484 23 2HD PRO 29 3HD PRO 29 -1.395 2.141 -3.029 24 H VAL 30 HN VAL 30 -1.233 -1.432 -7.535 25 HA VAL 30 HA VAL 30 -1.196 0.718 -9.504 26 HB VAL 30 HB VAL 30 0.716 -0.797 -9.367 27 1HG1 VAL 30 1HG1 VAL 30 -0.090 -2.847 -8.583 28 2HG1 VAL 30 2HG1 VAL 30 -1.390 -2.915 -9.796 29 3HG1 VAL 30 3HG1 VAL 30 0.300 -3.186 -10.286 30 1HG2 VAL 30 1HG2 VAL 30 -0.054 0.229 -11.544 31 2HG2 VAL 30 2HG2 VAL 30 0.947 -1.234 -11.704 32 3HG2 VAL 30 3HG2 VAL 30 -0.816 -1.333 -11.927 33 H CYS 31 HN CYS 31 -2.714 0.915 -11.128 34 HA CYS 31 HA CYS 31 -5.053 -0.756 -10.797 35 1HB CYS 31 2HB CYS 31 -5.313 1.705 -10.882 36 2HB CYS 31 3HB CYS 31 -4.643 1.724 -12.501 37 H PHE 32 HN PHE 32 -5.190 -2.605 -12.019 38 HA PHE 32 HA PHE 32 -3.502 -2.859 -14.342 39 1HB PHE 32 2HB PHE 32 -4.696 -4.502 -12.319 40 2HB PHE 32 3HB PHE 32 -5.506 -4.968 -13.800 41 HD1 PHE 32 HD1 PHE 32 -3.753 -5.240 -15.863 42 HD2 PHE 32 HD2 PHE 32 -2.849 -5.742 -11.748 43 HE1 PHE 32 HE1 PHE 32 -1.804 -6.701 -16.469 44 HE2 PHE 32 HE2 PHE 32 -0.900 -7.202 -12.354 45 HZ PHE 32 HZ PHE 32 -0.401 -7.664 -14.707 46 H SER 33 HN SER 33 -6.095 -1.068 -14.090 47 HA SER 33 HA SER 33 -7.442 -2.247 -16.390 48 1HB SER 33 2HB SER 33 -8.436 -1.104 -13.944 49 2HB SER 33 3HB SER 33 -8.934 -0.052 -15.256 50 HG SER 33 HG SER 33 -10.409 -1.498 -15.787 51 H CYS 34 HN CYS 34 -6.134 0.790 -14.934 52 HA CYS 34 HA CYS 34 -6.256 1.996 -17.596 53 1HB CYS 34 2HB CYS 34 -5.967 4.167 -16.396 54 2HB CYS 34 3HB CYS 34 -7.454 3.327 -16.001 55 H GLY 35 HN GLY 35 -4.229 0.972 -14.848 56 1HA GLY 35 1HA GLY 35 -2.008 0.353 -15.033 57 2HA GLY 35 2HA GLY 35 -1.854 1.267 -16.520 58 H LYS 36 HN LYS 36 -3.460 2.703 -13.693 59 HA LYS 36 HA LYS 36 -1.201 4.553 -13.487 60 1HB LYS 36 2HB LYS 36 -3.878 5.050 -13.861 61 2HB LYS 36 3HB LYS 36 -3.724 5.237 -12.125 62 1HG LYS 36 2HG LYS 36 -1.437 6.524 -13.229 63 2HG LYS 36 3HG LYS 36 -2.777 7.000 -14.253 64 1HD LYS 36 2HD LYS 36 -4.041 7.432 -11.967 65 2HD LYS 36 3HD LYS 36 -2.432 7.440 -11.271 66 1HE LYS 36 2HE LYS 36 -2.873 9.104 -13.745 67 2HE LYS 36 3HE LYS 36 -3.585 9.680 -12.252 68 1HZ LYS 36 1HZ LYS 36 -1.572 10.501 -11.899 69 2HZ LYS 36 2HZ LYS 36 -1.121 8.987 -11.488 70 3HZ LYS 36 3HZ LYS 36 -0.840 9.540 -12.999 71 H THR 37 HN THR 37 -1.409 5.572 -10.990 72 HA THR 37 HA THR 37 -1.276 3.211 -9.231 73 HB THR 37 HB THR 37 0.793 4.028 -8.337 74 HG1 THR 37 HG1 THR 37 0.253 6.415 -9.953 75 1HG2 THR 37 1HG2 THR 37 2.256 4.573 -10.292 76 2HG2 THR 37 2HG2 THR 37 1.188 3.199 -10.664 77 3HG2 THR 37 3HG2 THR 37 0.808 4.817 -11.300 78 H GLY 38 HN GLY 38 -1.987 3.457 -7.102 79 1HA GLY 38 1HA GLY 38 -2.625 5.006 -5.343 80 2HA GLY 38 2HA GLY 38 -3.363 6.021 -6.566 81 H HIS 39 HN HIS 39 -3.782 2.729 -7.403 82 HA HIS 39 HA HIS 39 -5.868 1.981 -5.734 83 1HB HIS 39 2HB HIS 39 -7.832 2.424 -7.041 84 2HB HIS 39 3HB HIS 39 -7.018 3.937 -6.698 85 HD1 HIS 39 HD1 HIS 39 -5.510 4.929 -8.763 86 HD2 HIS 39 HD2 HIS 39 -8.317 1.959 -9.712 87 HE1 HIS 39 HE1 HIS 39 -5.860 5.056 -11.288 88 H ILE 40 HN ILE 40 -6.865 -0.059 -6.462 89 HA ILE 40 HA ILE 40 -5.110 -1.370 -8.396 90 HB ILE 40 HB ILE 40 -6.928 -2.450 -6.241 91 1HG1 ILE 40 2HG1 ILE 40 -4.306 -3.291 -5.809 92 2HG1 ILE 40 3HG1 ILE 40 -4.127 -1.624 -6.317 93 1HG2 ILE 40 1HG2 ILE 40 -5.153 -3.945 -8.190 94 2HG2 ILE 40 2HG2 ILE 40 -5.990 -4.657 -6.790 95 3HG2 ILE 40 3HG2 ILE 40 -6.932 -3.972 -8.136 96 1HD1 ILE 40 1HD1 ILE 40 -6.245 -2.340 -4.273 97 2HD1 ILE 40 2HD1 ILE 40 -4.548 -2.153 -3.774 98 3HD1 ILE 40 3HD1 ILE 40 -5.410 -0.789 -4.524 99 H LYS 41 HN LYS 41 -6.148 -2.998 -9.886 100 HA LYS 41 HA LYS 41 -7.972 -1.795 -11.524 101 1HB LYS 41 2HB LYS 41 -6.837 -3.505 -12.539 102 2HB LYS 41 3HB LYS 41 -6.955 -4.573 -11.156 103 1HG LYS 41 2HG LYS 41 -9.427 -4.836 -11.616 104 2HG LYS 41 3HG LYS 41 -9.239 -3.845 -13.050 105 1HD LYS 41 2HD LYS 41 -8.624 -5.682 -14.224 106 2HD LYS 41 3HD LYS 41 -7.205 -5.846 -13.208 107 1HE LYS 41 2HE LYS 41 -8.621 -7.109 -11.522 108 2HE LYS 41 3HE LYS 41 -9.965 -7.031 -12.644 109 1HZ LYS 41 1HZ LYS 41 -7.373 -8.159 -13.414 110 2HZ LYS 41 2HZ LYS 41 -8.551 -9.066 -12.740 111 3HZ LYS 41 3HZ LYS 41 -8.808 -8.331 -14.175 112 H ARG 42 HN ARG 42 -8.617 -4.336 -9.009 113 HA ARG 42 HA ARG 42 -11.323 -4.405 -9.403 114 1HB ARG 42 2HB ARG 42 -9.528 -5.689 -7.748 115 2HB ARG 42 3HB ARG 42 -10.381 -4.703 -6.577 116 1HG ARG 42 2HG ARG 42 -12.504 -5.666 -8.035 117 2HG ARG 42 3HG ARG 42 -11.379 -6.998 -8.212 118 1HD ARG 42 2HD ARG 42 -11.481 -7.571 -5.973 119 2HD ARG 42 3HD ARG 42 -11.598 -5.905 -5.440 120 HE ARG 42 HE ARG 42 -13.919 -6.124 -5.433 121 1HH1 ARG 42 2HH2 ARG 42 -12.573 -8.547 -7.600 122 2HH1 ARG 42 1HH2 ARG 42 -14.102 -9.294 -7.922 123 1HH2 ARG 42 2HH1 ARG 42 -15.936 -7.109 -5.856 124 2HH2 ARG 42 1HH1 ARG 42 -16.028 -8.470 -6.923 125 H ASP 43 HN ASP 43 -9.262 -2.083 -7.681 126 HA ASP 43 HA ASP 43 -11.396 -0.955 -6.202 127 1HB ASP 43 2HB ASP 43 -8.715 0.325 -6.891 128 2HB ASP 43 3HB ASP 43 -9.754 0.729 -5.539 129 H CYS 44 HN CYS 44 -10.084 -0.720 -9.439 130 HA CYS 44 HA CYS 44 -10.953 1.963 -9.907 131 1HB CYS 44 2HB CYS 44 -9.006 0.654 -11.054 132 2HB CYS 44 3HB CYS 44 -10.263 -0.012 -12.078 133 H LYS 45 HN LYS 45 -13.126 2.413 -10.045 134 HA LYS 45 HA LYS 45 -14.761 0.582 -11.622 135 1HB LYS 45 2HB LYS 45 -15.154 -0.145 -9.358 136 2HB LYS 45 3HB LYS 45 -15.394 1.501 -8.807 137 1HG LYS 45 2HG LYS 45 -17.212 1.237 -10.946 138 2HG LYS 45 3HG LYS 45 -17.292 -0.315 -10.135 139 1HD LYS 45 2HD LYS 45 -18.685 0.668 -8.632 140 2HD LYS 45 3HD LYS 45 -17.277 1.497 -8.001 141 1HE LYS 45 2HE LYS 45 -17.927 3.509 -8.869 142 2HE LYS 45 3HE LYS 45 -18.334 2.809 -10.423 143 1HZ LYS 45 1HZ LYS 45 -20.250 1.850 -8.819 144 2HZ LYS 45 2HZ LYS 45 -20.022 3.341 -8.195 145 3HZ LYS 45 3HZ LYS 45 -20.407 3.165 -9.772 146 H GLU 46 HN GLU 46 -14.066 2.462 -13.099 147 HA GLU 46 HA GLU 46 -15.486 4.893 -12.502 148 1HB GLU 46 2HB GLU 46 -13.215 5.077 -13.406 149 2HB GLU 46 3HB GLU 46 -13.643 4.103 -14.798 150 1HG GLU 46 2HG GLU 46 -15.111 5.808 -15.674 151 2HG GLU 46 3HG GLU 46 -15.106 6.697 -14.164 152 H GLU 47 HN GLU 47 -15.200 2.778 -15.456 153 HA GLU 47 HA GLU 47 -16.616 2.524 -17.123 154 1HB GLU 47 2HB GLU 47 -18.403 1.074 -16.568 155 2HB GLU 47 3HB GLU 47 -17.258 0.850 -15.260 156 1HG GLU 47 2HG GLU 47 -18.537 2.441 -13.839 157 2HG GLU 47 3HG GLU 47 -19.658 2.738 -15.153 Start of MODEL 17 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.181 0.828 -0.395 3 1HB LYS 27 2HB LYS 27 1.021 -1.902 -0.551 4 2HB LYS 27 3HB LYS 27 2.083 -1.444 -1.867 5 1HG LYS 27 2HG LYS 27 3.154 -0.619 0.756 6 2HG LYS 27 3HG LYS 27 2.880 -2.348 0.674 7 1HD LYS 27 2HD LYS 27 5.097 -2.064 -0.152 8 2HD LYS 27 3HD LYS 27 4.127 -2.305 -1.591 9 1HE LYS 27 2HE LYS 27 4.535 -0.191 -2.367 10 2HE LYS 27 3HE LYS 27 4.270 0.539 -0.796 11 1HZ LYS 27 1HZ LYS 27 6.689 -0.051 -2.027 12 2HZ LYS 27 2HZ LYS 27 6.440 0.699 -0.598 13 3HZ LYS 27 3HZ LYS 27 6.608 -0.924 -0.650 14 H GLY 28 HN GLY 28 2.610 1.745 -2.392 15 1HA GLY 28 1HA GLY 28 0.248 2.330 -4.014 16 2HA GLY 28 2HA GLY 28 1.804 3.135 -4.064 17 HA PRO 29 HA PRO 29 1.500 -0.211 -7.296 18 1HB PRO 29 2HB PRO 29 0.564 1.143 -9.478 19 2HB PRO 29 3HB PRO 29 -0.460 0.161 -8.448 20 1HG PRO 29 2HG PRO 29 -0.257 3.107 -8.593 21 2HG PRO 29 3HG PRO 29 -1.537 2.126 -7.905 22 1HD PRO 29 2HD PRO 29 0.498 3.547 -6.467 23 2HD PRO 29 3HD PRO 29 -0.711 2.475 -5.789 24 H VAL 30 HN VAL 30 3.381 -0.770 -8.200 25 HA VAL 30 HA VAL 30 5.156 1.482 -8.722 26 HB VAL 30 HB VAL 30 5.905 -0.292 -7.226 27 1HG1 VAL 30 1HG1 VAL 30 5.484 -2.098 -9.626 28 2HG1 VAL 30 2HG1 VAL 30 6.430 -2.555 -8.189 29 3HG1 VAL 30 3HG1 VAL 30 4.693 -2.200 -8.035 30 1HG2 VAL 30 1HG2 VAL 30 7.330 0.855 -9.285 31 2HG2 VAL 30 2HG2 VAL 30 8.025 -0.082 -7.939 32 3HG2 VAL 30 3HG2 VAL 30 7.682 -0.878 -9.494 33 H CYS 31 HN CYS 31 5.879 2.028 -10.755 34 HA CYS 31 HA CYS 31 4.525 0.683 -12.929 35 1HB CYS 31 2HB CYS 31 4.475 3.153 -12.799 36 2HB CYS 31 3HB CYS 31 6.221 3.203 -12.933 37 H PHE 32 HN PHE 32 5.554 -1.022 -13.911 38 HA PHE 32 HA PHE 32 8.392 -1.340 -13.516 39 1HB PHE 32 2HB PHE 32 5.987 -2.881 -14.505 40 2HB PHE 32 3HB PHE 32 7.526 -3.374 -15.183 41 HD1 PHE 32 HD1 PHE 32 9.448 -3.663 -13.326 42 HD2 PHE 32 HD2 PHE 32 5.277 -3.970 -12.607 43 HE1 PHE 32 HE1 PHE 32 9.903 -5.052 -11.285 44 HE2 PHE 32 HE2 PHE 32 5.732 -5.359 -10.565 45 HZ PHE 32 HZ PHE 32 8.039 -5.883 -9.929 46 H SER 33 HN SER 33 6.991 0.788 -15.380 47 HA SER 33 HA SER 33 8.419 -0.009 -17.793 48 1HB SER 33 2HB SER 33 5.776 0.995 -17.411 49 2HB SER 33 3HB SER 33 6.678 2.291 -18.170 50 HG SER 33 HG SER 33 7.075 -0.300 -19.254 51 H CYS 34 HN CYS 34 7.719 2.672 -15.478 52 HA CYS 34 HA CYS 34 10.021 4.094 -16.593 53 1HB CYS 34 2HB CYS 34 9.074 6.102 -15.454 54 2HB CYS 34 3HB CYS 34 8.047 5.453 -16.715 55 H GLY 35 HN GLY 35 8.507 2.570 -13.752 56 1HA GLY 35 1HA GLY 35 9.678 1.665 -11.977 57 2HA GLY 35 2HA GLY 35 11.072 2.655 -12.362 58 H LYS 36 HN LYS 36 7.820 4.090 -12.272 59 HA LYS 36 HA LYS 36 8.663 5.572 -9.891 60 1HB LYS 36 2HB LYS 36 8.046 6.666 -12.187 61 2HB LYS 36 3HB LYS 36 6.391 6.375 -11.692 62 1HG LYS 36 2HG LYS 36 6.457 7.976 -10.044 63 2HG LYS 36 3HG LYS 36 8.087 7.559 -9.557 64 1HD LYS 36 2HD LYS 36 8.857 8.669 -11.784 65 2HD LYS 36 3HD LYS 36 7.236 9.327 -11.885 66 1HE LYS 36 2HE LYS 36 8.388 11.044 -10.758 67 2HE LYS 36 3HE LYS 36 7.656 10.168 -9.428 68 1HZ LYS 36 1HZ LYS 36 10.260 10.685 -9.660 69 2HZ LYS 36 2HZ LYS 36 9.636 9.503 -8.721 70 3HZ LYS 36 3HZ LYS 36 10.203 9.148 -10.211 71 H THR 37 HN THR 37 6.333 6.438 -8.811 72 HA THR 37 HA THR 37 4.821 3.963 -8.291 73 HB THR 37 HB THR 37 4.940 4.420 -5.941 74 HG1 THR 37 HG1 THR 37 5.991 6.993 -6.891 75 1HG2 THR 37 1HG2 THR 37 7.322 4.831 -5.408 76 2HG2 THR 37 2HG2 THR 37 7.214 3.742 -6.812 77 3HG2 THR 37 3HG2 THR 37 7.600 5.464 -7.049 78 H GLY 38 HN GLY 38 2.594 4.169 -7.869 79 1HA GLY 38 1HA GLY 38 0.739 5.662 -7.442 80 2HA GLY 38 2HA GLY 38 1.496 6.844 -8.493 81 H HIS 39 HN HIS 39 2.087 3.738 -9.760 82 HA HIS 39 HA HIS 39 -0.345 3.115 -10.940 83 1HB HIS 39 2HB HIS 39 -0.124 3.942 -13.180 84 2HB HIS 39 3HB HIS 39 -0.073 5.294 -12.068 85 HD1 HIS 39 HD1 HIS 39 2.273 6.494 -11.727 86 HD2 HIS 39 HD2 HIS 39 2.178 3.565 -14.730 87 HE1 HIS 39 HE1 HIS 39 4.377 6.837 -13.128 88 H ILE 40 HN ILE 40 -0.115 1.312 -12.489 89 HA ILE 40 HA ILE 40 2.444 -0.029 -12.049 90 HB ILE 40 HB ILE 40 -0.283 -1.061 -12.830 91 1HG1 ILE 40 2HG1 ILE 40 0.586 -2.284 -10.478 92 2HG1 ILE 40 3HG1 ILE 40 1.071 -0.612 -10.281 93 1HG2 ILE 40 1HG2 ILE 40 2.301 -2.589 -12.409 94 2HG2 ILE 40 2HG2 ILE 40 0.688 -3.308 -12.633 95 3HG2 ILE 40 3HG2 ILE 40 1.436 -2.371 -13.949 96 1HD1 ILE 40 1HD1 ILE 40 -1.706 -1.257 -11.309 97 2HD1 ILE 40 2HD1 ILE 40 -1.354 -1.326 -9.566 98 3HD1 ILE 40 3HD1 ILE 40 -1.140 0.200 -10.458 99 H LYS 41 HN LYS 41 3.328 -1.338 -13.900 100 HA LYS 41 HA LYS 41 3.890 0.249 -16.048 101 1HB LYS 41 2HB LYS 41 5.362 -1.489 -15.794 102 2HB LYS 41 3HB LYS 41 4.109 -2.664 -15.448 103 1HG LYS 41 2HG LYS 41 4.033 -1.464 -18.190 104 2HG LYS 41 3HG LYS 41 5.409 -2.496 -17.853 105 1HD LYS 41 2HD LYS 41 2.735 -3.541 -16.987 106 2HD LYS 41 3HD LYS 41 3.000 -3.445 -18.716 107 1HE LYS 41 2HE LYS 41 4.068 -5.448 -18.521 108 2HE LYS 41 3HE LYS 41 5.398 -4.549 -17.820 109 1HZ LYS 41 1HZ LYS 41 4.921 -5.327 -15.811 110 2HZ LYS 41 2HZ LYS 41 3.307 -5.138 -15.970 111 3HZ LYS 41 3HZ LYS 41 4.036 -6.470 -16.572 112 H ARG 42 HN ARG 42 1.432 -2.420 -15.879 113 HA ARG 42 HA ARG 42 0.519 -2.093 -18.435 114 1HB ARG 42 2HB ARG 42 -0.632 -3.206 -15.878 115 2HB ARG 42 3HB ARG 42 -1.736 -2.972 -17.217 116 1HG ARG 42 2HG ARG 42 -0.904 -4.765 -18.345 117 2HG ARG 42 3HG ARG 42 0.750 -4.222 -18.136 118 1HD ARG 42 2HD ARG 42 0.759 -6.234 -16.917 119 2HD ARG 42 3HD ARG 42 0.467 -5.062 -15.649 120 HE ARG 42 HE ARG 42 -2.089 -5.700 -16.481 121 1HH1 ARG 42 2HH2 ARG 42 0.671 -7.631 -15.461 122 2HH1 ARG 42 1HH2 ARG 42 -0.301 -8.915 -14.823 123 1HH2 ARG 42 2HH1 ARG 42 -3.372 -7.393 -15.640 124 2HH2 ARG 42 1HH1 ARG 42 -2.616 -8.779 -14.926 125 H ASP 43 HN ASP 43 -0.120 -0.252 -15.465 126 HA ASP 43 HA ASP 43 -2.434 1.014 -16.501 127 1HB ASP 43 2HB ASP 43 -0.652 1.986 -14.227 128 2HB ASP 43 3HB ASP 43 -2.348 2.355 -14.470 129 H CYS 44 HN CYS 44 1.039 1.374 -16.735 130 HA CYS 44 HA CYS 44 1.037 4.184 -17.206 131 1HB CYS 44 2HB CYS 44 2.970 2.666 -16.329 132 2HB CYS 44 3HB CYS 44 3.264 2.321 -18.021 133 H LYS 45 HN LYS 45 0.010 4.960 -19.027 134 HA LYS 45 HA LYS 45 0.101 3.303 -21.433 135 1HB LYS 45 2HB LYS 45 -1.837 5.164 -20.244 136 2HB LYS 45 3HB LYS 45 -1.577 5.437 -21.954 137 1HG LYS 45 2HG LYS 45 -1.757 2.567 -21.372 138 2HG LYS 45 3HG LYS 45 -3.173 3.414 -20.781 139 1HD LYS 45 2HD LYS 45 -2.378 4.349 -23.461 140 2HD LYS 45 3HD LYS 45 -2.694 2.625 -23.438 141 1HE LYS 45 2HE LYS 45 -4.618 4.673 -22.245 142 2HE LYS 45 3HE LYS 45 -4.724 4.127 -23.907 143 1HZ LYS 45 1HZ LYS 45 -4.876 1.853 -23.026 144 2HZ LYS 45 2HZ LYS 45 -4.935 2.449 -21.507 145 3HZ LYS 45 3HZ LYS 45 -6.126 2.799 -22.568 146 H GLU 46 HN GLU 46 2.299 3.712 -22.019 147 HA GLU 46 HA GLU 46 3.171 6.395 -22.266 148 1HB GLU 46 2HB GLU 46 5.147 5.250 -23.461 149 2HB GLU 46 3HB GLU 46 4.873 4.810 -21.786 150 1HG GLU 46 2HG GLU 46 3.404 3.152 -23.795 151 2HG GLU 46 3HG GLU 46 5.150 2.991 -23.827 152 H GLU 47 HN GLU 47 1.347 4.164 -24.227 153 HA GLU 47 HA GLU 47 2.110 4.987 -26.744 154 1HB GLU 47 2HB GLU 47 -0.540 3.926 -25.683 155 2HB GLU 47 3HB GLU 47 -0.241 4.184 -27.390 156 1HG GLU 47 2HG GLU 47 1.781 2.668 -27.221 157 2HG GLU 47 3HG GLU 47 1.363 2.349 -25.549 Start of MODEL 18 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 1.478 1.216 -1.157 3 1HB LYS 27 2HB LYS 27 2.506 -0.443 0.959 4 2HB LYS 27 3HB LYS 27 3.044 -1.082 -0.581 5 1HG LYS 27 2HG LYS 27 4.679 0.514 -0.400 6 2HG LYS 27 3HG LYS 27 3.446 1.586 -1.036 7 1HD LYS 27 2HD LYS 27 2.993 2.547 1.057 8 2HD LYS 27 3HD LYS 27 3.500 1.124 1.944 9 1HE LYS 27 2HE LYS 27 5.878 1.794 0.760 10 2HE LYS 27 3HE LYS 27 5.151 3.384 0.875 11 1HZ LYS 27 1HZ LYS 27 5.403 3.374 3.059 12 2HZ LYS 27 2HZ LYS 27 4.833 1.856 3.249 13 3HZ LYS 27 3HZ LYS 27 6.402 2.097 2.870 14 H GLY 28 HN GLY 28 -0.859 0.377 -2.094 15 1HA GLY 28 1HA GLY 28 -0.886 -0.659 -4.362 16 2HA GLY 28 2HA GLY 28 -0.263 -2.104 -3.592 17 HA PRO 29 HA PRO 29 -4.806 -2.349 -3.458 18 1HB PRO 29 2HB PRO 29 -5.106 -4.700 -4.819 19 2HB PRO 29 3HB PRO 29 -5.229 -3.128 -5.584 20 1HG PRO 29 2HG PRO 29 -3.017 -5.085 -5.715 21 2HG PRO 29 3HG PRO 29 -3.351 -3.734 -6.779 22 1HD PRO 29 2HD PRO 29 -1.349 -3.850 -4.728 23 2HD PRO 29 3HD PRO 29 -1.761 -2.460 -5.714 24 H VAL 30 HN VAL 30 -5.797 -3.011 -1.658 25 HA VAL 30 HA VAL 30 -4.397 -5.165 -0.266 26 HB VAL 30 HB VAL 30 -4.694 -3.013 0.873 27 1HG1 VAL 30 1HG1 VAL 30 -6.601 -1.852 0.859 28 2HG1 VAL 30 2HG1 VAL 30 -7.254 -3.058 -0.276 29 3HG1 VAL 30 3HG1 VAL 30 -7.524 -3.244 1.475 30 1HG2 VAL 30 1HG2 VAL 30 -5.077 -3.958 2.921 31 2HG2 VAL 30 2HG2 VAL 30 -6.526 -4.834 2.372 32 3HG2 VAL 30 3HG2 VAL 30 -4.906 -5.444 1.957 33 H CYS 31 HN CYS 31 -5.388 -7.112 0.246 34 HA CYS 31 HA CYS 31 -7.867 -7.583 -1.182 35 1HB CYS 31 2HB CYS 31 -5.950 -9.117 -1.537 36 2HB CYS 31 3HB CYS 31 -5.986 -9.554 0.160 37 H PHE 32 HN PHE 32 -9.744 -7.274 -0.036 38 HA PHE 32 HA PHE 32 -9.644 -7.278 2.841 39 1HB PHE 32 2HB PHE 32 -11.150 -6.103 0.704 40 2HB PHE 32 3HB PHE 32 -12.286 -7.169 1.508 41 HD1 PHE 32 HD1 PHE 32 -13.128 -6.660 3.689 42 HD2 PHE 32 HD2 PHE 32 -10.111 -4.233 1.954 43 HE1 PHE 32 HE1 PHE 32 -13.511 -4.920 5.458 44 HE2 PHE 32 HE2 PHE 32 -10.493 -2.494 3.722 45 HZ PHE 32 HZ PHE 32 -12.189 -2.858 5.453 46 H SER 33 HN SER 33 -9.457 -9.800 0.890 47 HA SER 33 HA SER 33 -11.633 -11.262 2.154 48 1HB SER 33 2HB SER 33 -10.306 -11.399 -0.487 49 2HB SER 33 3HB SER 33 -10.504 -12.970 0.264 50 HG SER 33 HG SER 33 -12.839 -11.921 0.686 51 H CYS 34 HN CYS 34 -8.100 -11.335 1.373 52 HA CYS 34 HA CYS 34 -7.805 -13.454 3.365 53 1HB CYS 34 2HB CYS 34 -5.549 -13.794 2.342 54 2HB CYS 34 3HB CYS 34 -6.884 -14.111 1.252 55 H GLY 35 HN GLY 35 -6.908 -10.138 2.367 56 1HA GLY 35 1HA GLY 35 -6.414 -8.446 3.888 57 2HA GLY 35 2HA GLY 35 -5.921 -9.633 5.079 58 H LYS 36 HN LYS 36 -4.856 -9.927 1.699 59 HA LYS 36 HA LYS 36 -2.141 -9.330 2.620 60 1HB LYS 36 2HB LYS 36 -3.283 -11.160 0.529 61 2HB LYS 36 3HB LYS 36 -1.646 -10.563 0.349 62 1HG LYS 36 2HG LYS 36 -1.494 -11.305 2.946 63 2HG LYS 36 3HG LYS 36 -2.785 -12.385 2.459 64 1HD LYS 36 2HD LYS 36 -0.382 -12.224 0.653 65 2HD LYS 36 3HD LYS 36 -0.169 -13.036 2.192 66 1HE LYS 36 2HE LYS 36 -2.621 -14.048 1.234 67 2HE LYS 36 3HE LYS 36 -1.628 -13.934 -0.204 68 1HZ LYS 36 1HZ LYS 36 -0.352 -15.578 0.510 69 2HZ LYS 36 2HZ LYS 36 -0.217 -14.986 2.027 70 3HZ LYS 36 3HZ LYS 36 -1.508 -15.900 1.619 71 H THR 37 HN THR 37 -0.806 -8.683 0.362 72 HA THR 37 HA THR 37 -2.314 -6.415 -0.758 73 HB THR 37 HB THR 37 -0.422 -4.990 -0.372 74 HG1 THR 37 HG1 THR 37 1.604 -6.144 0.379 75 1HG2 THR 37 1HG2 THR 37 0.183 -6.616 2.042 76 2HG2 THR 37 2HG2 THR 37 -0.370 -4.928 1.929 77 3HG2 THR 37 3HG2 THR 37 -1.548 -6.259 1.836 78 H GLY 38 HN GLY 38 -1.974 -5.915 -2.924 79 1HA GLY 38 1HA GLY 38 -0.523 -6.207 -4.861 80 2HA GLY 38 2HA GLY 38 -0.315 -7.881 -4.387 81 H HIS 39 HN HIS 39 -3.500 -6.723 -3.707 82 HA HIS 39 HA HIS 39 -4.683 -6.931 -6.207 83 1HB HIS 39 2HB HIS 39 -5.661 -9.131 -6.183 84 2HB HIS 39 3HB HIS 39 -3.916 -9.266 -6.128 85 HD1 HIS 39 HD1 HIS 39 -3.096 -9.288 -3.318 86 HD2 HIS 39 HD2 HIS 39 -6.767 -10.946 -4.489 87 HE1 HIS 39 HE1 HIS 39 -3.764 -10.920 -1.474 88 H ILE 40 HN ILE 40 -7.053 -6.781 -6.051 89 HA ILE 40 HA ILE 40 -7.806 -5.768 -3.418 90 HB ILE 40 HB ILE 40 -8.985 -5.370 -6.167 91 1HG1 ILE 40 2HG1 ILE 40 -8.276 -2.918 -5.040 92 2HG1 ILE 40 3HG1 ILE 40 -6.953 -3.978 -4.600 93 1HG2 ILE 40 1HG2 ILE 40 -10.400 -3.633 -4.968 94 2HG2 ILE 40 2HG2 ILE 40 -10.841 -5.339 -4.712 95 3HG2 ILE 40 3HG2 ILE 40 -9.947 -4.453 -3.454 96 1HD1 ILE 40 1HD1 ILE 40 -6.890 -2.745 -6.923 97 2HD1 ILE 40 2HD1 ILE 40 -6.399 -4.454 -6.842 98 3HD1 ILE 40 3HD1 ILE 40 -8.021 -4.021 -7.435 99 H LYS 41 HN LYS 41 -10.094 -6.239 -2.686 100 HA LYS 41 HA LYS 41 -10.458 -8.931 -2.356 101 1HB LYS 41 2HB LYS 41 -12.647 -8.362 -1.476 102 2HB LYS 41 3HB LYS 41 -11.457 -7.191 -0.944 103 1HG LYS 41 2HG LYS 41 -12.177 -5.729 -2.943 104 2HG LYS 41 3HG LYS 41 -13.510 -6.843 -3.172 105 1HD LYS 41 2HD LYS 41 -14.489 -6.303 -1.055 106 2HD LYS 41 3HD LYS 41 -13.012 -5.575 -0.456 107 1HE LYS 41 2HE LYS 41 -14.416 -4.409 -2.885 108 2HE LYS 41 3HE LYS 41 -14.966 -4.010 -1.271 109 1HZ LYS 41 1HZ LYS 41 -13.285 -2.490 -2.183 110 2HZ LYS 41 2HZ LYS 41 -12.841 -3.148 -0.756 111 3HZ LYS 41 3HZ LYS 41 -12.181 -3.694 -2.146 112 H ARG 42 HN ARG 42 -12.186 -6.745 -4.688 113 HA ARG 42 HA ARG 42 -13.677 -8.726 -5.838 114 1HB ARG 42 2HB ARG 42 -12.554 -6.138 -7.016 115 2HB ARG 42 3HB ARG 42 -13.731 -7.127 -7.856 116 1HG ARG 42 2HG ARG 42 -14.286 -6.248 -5.009 117 2HG ARG 42 3HG ARG 42 -14.537 -5.117 -6.324 118 1HD ARG 42 2HD ARG 42 -16.179 -6.545 -7.379 119 2HD ARG 42 3HD ARG 42 -15.738 -7.918 -6.384 120 HE ARG 42 HE ARG 42 -16.542 -5.836 -4.624 121 1HH1 ARG 42 2HH2 ARG 42 -17.959 -7.891 -7.103 122 2HH1 ARG 42 1HH2 ARG 42 -19.546 -7.853 -6.409 123 1HH2 ARG 42 2HH1 ARG 42 -18.635 -5.785 -3.708 124 2HH2 ARG 42 1HH1 ARG 42 -19.933 -6.647 -4.465 125 H ASP 43 HN ASP 43 -10.267 -7.865 -6.214 126 HA ASP 43 HA ASP 43 -9.958 -9.185 -8.697 127 1HB ASP 43 2HB ASP 43 -7.843 -8.459 -6.617 128 2HB ASP 43 3HB ASP 43 -7.540 -8.834 -8.302 129 H CYS 44 HN CYS 44 -9.847 -9.986 -5.238 130 HA CYS 44 HA CYS 44 -8.398 -12.420 -5.611 131 1HB CYS 44 2HB CYS 44 -8.494 -10.913 -3.495 132 2HB CYS 44 3HB CYS 44 -10.011 -11.724 -3.156 133 H LYS 45 HN LYS 45 -9.394 -14.079 -6.718 134 HA LYS 45 HA LYS 45 -11.752 -15.225 -5.728 135 1HB LYS 45 2HB LYS 45 -12.682 -13.157 -6.881 136 2HB LYS 45 3HB LYS 45 -12.155 -13.857 -8.397 137 1HG LYS 45 2HG LYS 45 -14.344 -14.672 -8.283 138 2HG LYS 45 3HG LYS 45 -13.463 -16.006 -7.564 139 1HD LYS 45 2HD LYS 45 -14.520 -15.733 -5.572 140 2HD LYS 45 3HD LYS 45 -14.098 -14.033 -5.512 141 1HE LYS 45 2HE LYS 45 -16.043 -13.425 -6.866 142 2HE LYS 45 3HE LYS 45 -16.399 -15.106 -7.207 143 1HZ LYS 45 1HZ LYS 45 -16.538 -13.794 -4.585 144 2HZ LYS 45 2HZ LYS 45 -17.788 -14.370 -5.463 145 3HZ LYS 45 3HZ LYS 45 -16.712 -15.403 -4.800 146 H GLU 46 HN GLU 46 -10.092 -16.902 -5.725 147 HA GLU 46 HA GLU 46 -9.636 -17.923 -8.421 148 1HB GLU 46 2HB GLU 46 -7.535 -17.291 -7.329 149 2HB GLU 46 3HB GLU 46 -7.943 -18.224 -5.904 150 1HG GLU 46 2HG GLU 46 -7.683 -20.309 -7.037 151 2HG GLU 46 3HG GLU 46 -7.818 -19.572 -8.621 152 H GLU 47 HN GLU 47 -9.875 -19.031 -4.958 153 HA GLU 47 HA GLU 47 -11.082 -21.467 -5.972 154 1HB GLU 47 2HB GLU 47 -9.144 -21.022 -4.017 155 2HB GLU 47 3HB GLU 47 -10.589 -21.289 -3.062 156 1HG GLU 47 2HG GLU 47 -10.371 -23.516 -3.413 157 2HG GLU 47 3HG GLU 47 -10.677 -23.254 -5.119 Start of MODEL 19 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 2.094 -0.456 -0.341 3 1HB LYS 27 2HB LYS 27 -0.302 -0.210 -2.060 4 2HB LYS 27 3HB LYS 27 1.224 0.071 -2.873 5 1HG LYS 27 2HG LYS 27 1.691 -2.147 -2.868 6 2HG LYS 27 3HG LYS 27 1.539 -2.212 -1.122 7 1HD LYS 27 2HD LYS 27 -0.744 -2.809 -1.198 8 2HD LYS 27 3HD LYS 27 -0.981 -2.117 -2.790 9 1HE LYS 27 2HE LYS 27 -0.342 -4.038 -3.858 10 2HE LYS 27 3HE LYS 27 1.026 -4.289 -2.792 11 1HZ LYS 27 1HZ LYS 27 -0.358 -5.991 -2.234 12 2HZ LYS 27 2HZ LYS 27 -0.802 -4.893 -1.110 13 3HZ LYS 27 3HZ LYS 27 -1.734 -5.133 -2.430 14 H GLY 28 HN GLY 28 2.542 1.697 1.034 15 1HA GLY 28 1HA GLY 28 3.553 3.703 1.061 16 2HA GLY 28 2HA GLY 28 4.046 3.379 -0.588 17 HA PRO 29 HA PRO 29 -0.072 5.686 -0.925 18 1HB PRO 29 2HB PRO 29 -1.486 6.353 1.317 19 2HB PRO 29 3HB PRO 29 -1.807 4.911 0.375 20 1HG PRO 29 2HG PRO 29 -0.454 5.152 2.993 21 2HG PRO 29 3HG PRO 29 -1.155 3.730 2.246 22 1HD PRO 29 2HD PRO 29 1.634 4.379 2.421 23 2HD PRO 29 3HD PRO 29 0.924 3.017 1.574 24 H VAL 30 HN VAL 30 0.034 7.742 -1.609 25 HA VAL 30 HA VAL 30 1.748 9.426 0.045 26 HB VAL 30 HB VAL 30 2.342 9.054 -2.304 27 1HG1 VAL 30 1HG1 VAL 30 0.910 9.205 -4.023 28 2HG1 VAL 30 2HG1 VAL 30 -0.380 9.229 -2.797 29 3HG1 VAL 30 3HG1 VAL 30 0.254 10.758 -3.453 30 1HG2 VAL 30 1HG2 VAL 30 2.327 11.446 -0.921 31 2HG2 VAL 30 2HG2 VAL 30 3.205 11.123 -2.436 32 3HG2 VAL 30 3HG2 VAL 30 1.599 11.889 -2.485 33 H CYS 31 HN CYS 31 1.023 11.279 1.048 34 HA CYS 31 HA CYS 31 -1.852 11.602 1.059 35 1HB CYS 31 2HB CYS 31 -0.626 11.483 3.206 36 2HB CYS 31 3HB CYS 31 0.277 12.922 2.776 37 H PHE 32 HN PHE 32 -2.755 13.019 -0.392 38 HA PHE 32 HA PHE 32 -1.055 14.967 -1.667 39 1HB PHE 32 2HB PHE 32 -3.748 13.666 -1.971 40 2HB PHE 32 3HB PHE 32 -3.696 15.327 -2.527 41 HD1 PHE 32 HD1 PHE 32 -1.905 12.083 -2.900 42 HD2 PHE 32 HD2 PHE 32 -2.933 15.799 -4.671 43 HE1 PHE 32 HE1 PHE 32 -0.905 11.324 -5.074 44 HE2 PHE 32 HE2 PHE 32 -1.933 15.040 -6.845 45 HZ PHE 32 HZ PHE 32 -0.930 12.812 -7.020 46 H SER 33 HN SER 33 -2.100 15.062 1.310 47 HA SER 33 HA SER 33 -3.327 17.695 1.064 48 1HB SER 33 2HB SER 33 -3.772 15.396 2.884 49 2HB SER 33 3HB SER 33 -3.673 16.938 3.711 50 HG SER 33 HG SER 33 -5.301 17.738 2.130 51 H CYS 34 HN CYS 34 -0.874 15.689 2.794 52 HA CYS 34 HA CYS 34 0.324 18.178 3.762 53 1HB CYS 34 2HB CYS 34 1.525 16.722 5.398 54 2HB CYS 34 3HB CYS 34 -0.216 16.731 5.598 55 H GLY 35 HN GLY 35 0.699 15.203 1.838 56 1HA GLY 35 1HA GLY 35 2.133 14.988 0.038 57 2HA GLY 35 2HA GLY 35 3.118 16.308 0.636 58 H LYS 36 HN LYS 36 2.040 13.739 2.844 59 HA LYS 36 HA LYS 36 4.832 12.882 3.033 60 1HB LYS 36 2HB LYS 36 3.193 13.785 4.994 61 2HB LYS 36 3HB LYS 36 2.855 12.070 5.094 62 1HG LYS 36 2HG LYS 36 5.691 12.312 4.786 63 2HG LYS 36 3HG LYS 36 5.222 13.512 5.973 64 1HD LYS 36 2HD LYS 36 3.910 11.689 7.185 65 2HD LYS 36 3HD LYS 36 4.591 10.526 6.065 66 1HE LYS 36 2HE LYS 36 6.040 10.448 7.961 67 2HE LYS 36 3HE LYS 36 6.918 11.400 6.781 68 1HZ LYS 36 1HZ LYS 36 5.260 12.532 8.927 69 2HZ LYS 36 2HZ LYS 36 6.888 12.415 8.965 70 3HZ LYS 36 3HZ LYS 36 6.165 13.382 7.866 71 H THR 37 HN THR 37 4.678 10.389 4.081 72 HA THR 37 HA THR 37 3.035 8.896 2.145 73 HB THR 37 HB THR 37 4.928 7.511 1.648 74 HG1 THR 37 HG1 THR 37 6.894 7.955 3.110 75 1HG2 THR 37 1HG2 THR 37 5.311 9.760 0.642 76 2HG2 THR 37 2HG2 THR 37 6.045 10.319 2.164 77 3HG2 THR 37 3HG2 THR 37 6.851 9.062 1.196 78 H GLY 38 HN GLY 38 2.148 6.928 2.829 79 1HA GLY 38 1HA GLY 38 2.119 5.196 4.527 80 2HA GLY 38 2HA GLY 38 2.391 6.435 5.736 81 H HIS 39 HN HIS 39 0.382 7.705 3.288 82 HA HIS 39 HA HIS 39 -2.074 6.574 3.913 83 1HB HIS 39 2HB HIS 39 -3.079 8.171 5.394 84 2HB HIS 39 3HB HIS 39 -1.648 7.511 6.159 85 HD1 HIS 39 HD1 HIS 39 0.467 9.112 6.355 86 HD2 HIS 39 HD2 HIS 39 -3.037 10.931 4.937 87 HE1 HIS 39 HE1 HIS 39 0.847 11.629 6.528 88 H ILE 40 HN ILE 40 -3.856 7.729 2.823 89 HA ILE 40 HA ILE 40 -2.770 9.423 0.705 90 HB ILE 40 HB ILE 40 -5.309 7.804 0.911 91 1HG1 ILE 40 2HG1 ILE 40 -3.831 6.964 -1.286 92 2HG1 ILE 40 3HG1 ILE 40 -2.604 7.255 -0.068 93 1HG2 ILE 40 1HG2 ILE 40 -5.702 8.423 -1.435 94 2HG2 ILE 40 2HG2 ILE 40 -5.745 9.836 -0.354 95 3HG2 ILE 40 3HG2 ILE 40 -4.314 9.536 -1.369 96 1HD1 ILE 40 1HD1 ILE 40 -3.535 5.686 1.443 97 2HD1 ILE 40 2HD1 ILE 40 -5.126 5.724 0.646 98 3HD1 ILE 40 3HD1 ILE 40 -3.755 4.907 -0.143 99 H LYS 41 HN LYS 41 -4.167 11.273 -0.043 100 HA LYS 41 HA LYS 41 -4.561 13.077 1.967 101 1HB LYS 41 2HB LYS 41 -4.394 14.032 -0.114 102 2HB LYS 41 3HB LYS 41 -5.438 12.851 -0.879 103 1HG LYS 41 2HG LYS 41 -6.770 14.511 1.210 104 2HG LYS 41 3HG LYS 41 -6.214 15.409 -0.187 105 1HD LYS 41 2HD LYS 41 -7.776 12.833 -0.558 106 2HD LYS 41 3HD LYS 41 -8.621 14.331 -0.220 107 1HE LYS 41 2HE LYS 41 -7.158 15.314 -2.193 108 2HE LYS 41 3HE LYS 41 -6.909 13.634 -2.628 109 1HZ LYS 41 1HZ LYS 41 -9.351 15.183 -2.674 110 2HZ LYS 41 2HZ LYS 41 -8.808 14.066 -3.734 111 3HZ LYS 41 3HZ LYS 41 -9.487 13.594 -2.326 112 H ARG 42 HN ARG 42 -7.085 11.057 0.311 113 HA ARG 42 HA ARG 42 -9.177 11.974 1.816 114 1HB ARG 42 2HB ARG 42 -9.086 10.381 -0.285 115 2HB ARG 42 3HB ARG 42 -8.984 9.082 0.887 116 1HG ARG 42 2HG ARG 42 -11.181 9.293 1.510 117 2HG ARG 42 3HG ARG 42 -11.117 11.044 1.511 118 1HD ARG 42 2HD ARG 42 -11.473 11.167 -0.872 119 2HD ARG 42 3HD ARG 42 -11.122 9.465 -1.095 120 HE ARG 42 HE ARG 42 -13.390 9.946 0.697 121 1HH1 ARG 42 2HH2 ARG 42 -12.403 9.551 -2.657 122 2HH1 ARG 42 1HH2 ARG 42 -13.974 9.058 -3.195 123 1HH2 ARG 42 2HH1 ARG 42 -15.463 9.295 -0.011 124 2HH2 ARG 42 1HH1 ARG 42 -15.726 8.912 -1.679 125 H ASP 43 HN ASP 43 -6.627 9.606 2.540 126 HA ASP 43 HA ASP 43 -8.012 8.470 4.733 127 1HB ASP 43 2HB ASP 43 -5.008 8.437 4.213 128 2HB ASP 43 3HB ASP 43 -5.926 7.277 5.151 129 H CYS 44 HN CYS 44 -6.078 11.317 4.089 130 HA CYS 44 HA CYS 44 -5.091 11.631 6.745 131 1HB CYS 44 2HB CYS 44 -4.116 12.555 4.506 132 2HB CYS 44 3HB CYS 44 -5.267 13.859 4.722 133 H LYS 45 HN LYS 45 -6.628 11.908 8.352 134 HA LYS 45 HA LYS 45 -8.181 12.941 9.546 135 1HB LYS 45 2HB LYS 45 -7.193 15.009 8.157 136 2HB LYS 45 3HB LYS 45 -8.812 15.011 7.490 137 1HG LYS 45 2HG LYS 45 -8.680 14.690 10.456 138 2HG LYS 45 3HG LYS 45 -8.106 16.233 9.857 139 1HD LYS 45 2HD LYS 45 -10.215 16.683 8.733 140 2HD LYS 45 3HD LYS 45 -10.777 15.043 8.994 141 1HE LYS 45 2HE LYS 45 -11.824 15.909 10.834 142 2HE LYS 45 3HE LYS 45 -10.246 15.811 11.589 143 1HZ LYS 45 1HZ LYS 45 -9.977 18.012 11.450 144 2HZ LYS 45 2HZ LYS 45 -10.715 18.162 10.001 145 3HZ LYS 45 3HZ LYS 45 -11.607 18.048 11.363 146 H GLU 46 HN GLU 46 -9.004 10.689 8.609 147 HA GLU 46 HA GLU 46 -11.467 11.262 7.159 148 1HB GLU 46 2HB GLU 46 -10.020 9.751 5.909 149 2HB GLU 46 3HB GLU 46 -9.793 8.721 7.309 150 1HG GLU 46 2HG GLU 46 -12.390 8.429 7.284 151 2HG GLU 46 3HG GLU 46 -12.327 9.115 5.672 152 H GLU 47 HN GLU 47 -10.094 8.921 9.591 153 HA GLU 47 HA GLU 47 -12.643 8.303 10.587 154 1HB GLU 47 2HB GLU 47 -11.430 7.030 12.295 155 2HB GLU 47 3HB GLU 47 -10.691 6.767 10.728 156 1HG GLU 47 2HG GLU 47 -9.376 9.053 11.785 157 2HG GLU 47 3HG GLU 47 -9.530 7.953 13.140 Start of MODEL 20 1 H LYS 27 HN LYS 27 0.634 0.410 1.228 2 HA LYS 27 HA LYS 27 0.994 0.774 -1.603 3 1HB LYS 27 2HB LYS 27 3.337 0.949 -1.072 4 2HB LYS 27 3HB LYS 27 2.418 1.917 0.064 5 1HG LYS 27 2HG LYS 27 2.460 -0.247 1.576 6 2HG LYS 27 3HG LYS 27 3.774 -0.757 0.535 7 1HD LYS 27 2HD LYS 27 5.234 0.630 1.583 8 2HD LYS 27 3HD LYS 27 4.194 2.015 1.313 9 1HE LYS 27 2HE LYS 27 2.780 1.182 3.309 10 2HE LYS 27 3HE LYS 27 4.073 0.047 3.639 11 1HZ LYS 27 1HZ LYS 27 4.827 1.769 4.824 12 2HZ LYS 27 2HZ LYS 27 5.447 2.275 3.401 13 3HZ LYS 27 3HZ LYS 27 4.045 2.905 3.950 14 H GLY 28 HN GLY 28 1.411 -1.819 0.866 15 1HA GLY 28 1HA GLY 28 1.206 -3.803 -1.252 16 2HA GLY 28 2HA GLY 28 2.728 -3.767 -0.384 17 HA PRO 29 HA PRO 29 -0.613 -4.892 2.790 18 1HB PRO 29 2HB PRO 29 -3.216 -5.157 2.004 19 2HB PRO 29 3HB PRO 29 -2.575 -3.689 2.715 20 1HG PRO 29 2HG PRO 29 -3.246 -4.239 -0.111 21 2HG PRO 29 3HG PRO 29 -3.017 -2.693 0.683 22 1HD PRO 29 2HD PRO 29 -1.160 -4.023 -1.052 23 2HD PRO 29 3HD PRO 29 -0.886 -2.535 -0.166 24 H VAL 30 HN VAL 30 -0.395 -6.907 3.531 25 HA VAL 30 HA VAL 30 -0.571 -8.954 1.461 26 HB VAL 30 HB VAL 30 1.484 -8.767 2.766 27 1HG1 VAL 30 1HG1 VAL 30 0.878 -9.830 5.270 28 2HG1 VAL 30 2HG1 VAL 30 1.327 -8.145 4.911 29 3HG1 VAL 30 3HG1 VAL 30 -0.389 -8.609 4.999 30 1HG2 VAL 30 1HG2 VAL 30 1.145 -11.239 3.876 31 2HG2 VAL 30 2HG2 VAL 30 -0.212 -11.188 2.726 32 3HG2 VAL 30 3HG2 VAL 30 1.453 -10.939 2.149 33 H CYS 31 HN CYS 31 -2.089 -10.593 1.485 34 HA CYS 31 HA CYS 31 -4.251 -10.197 3.371 35 1HB CYS 31 2HB CYS 31 -4.757 -10.367 0.952 36 2HB CYS 31 3HB CYS 31 -4.093 -11.989 0.924 37 H PHE 32 HN PHE 32 -4.174 -11.345 5.270 38 HA PHE 32 HA PHE 32 -2.472 -13.665 5.424 39 1HB PHE 32 2HB PHE 32 -2.933 -11.670 7.133 40 2HB PHE 32 3HB PHE 32 -4.402 -12.544 7.521 41 HD1 PHE 32 HD1 PHE 32 -0.810 -13.468 7.011 42 HD2 PHE 32 HD2 PHE 32 -4.258 -13.744 9.471 43 HE1 PHE 32 HE1 PHE 32 0.466 -14.888 8.641 44 HE2 PHE 32 HE2 PHE 32 -2.983 -15.164 11.100 45 HZ PHE 32 HZ PHE 32 -0.636 -15.719 10.666 46 H SER 33 HN SER 33 -5.262 -13.450 3.930 47 HA SER 33 HA SER 33 -6.473 -15.703 5.327 48 1HB SER 33 2HB SER 33 -7.583 -13.300 4.252 49 2HB SER 33 3HB SER 33 -8.147 -14.601 3.223 50 HG SER 33 HG SER 33 -9.534 -14.169 5.106 51 H CYS 34 HN CYS 34 -5.476 -14.385 2.115 52 HA CYS 34 HA CYS 34 -5.728 -17.094 1.040 53 1HB CYS 34 2HB CYS 34 -5.662 -15.991 -1.197 54 2HB CYS 34 3HB CYS 34 -7.052 -15.543 -0.227 55 H GLY 35 HN GLY 35 -3.601 -14.312 1.718 56 1HA GLY 35 1HA GLY 35 -1.327 -14.493 2.123 57 2HA GLY 35 2HA GLY 35 -1.272 -16.014 1.255 58 H LYS 36 HN LYS 36 -3.006 -13.225 -0.108 59 HA LYS 36 HA LYS 36 -0.954 -13.108 -2.191 60 1HB LYS 36 2HB LYS 36 -3.519 -13.625 -2.564 61 2HB LYS 36 3HB LYS 36 -3.677 -11.883 -2.469 62 1HG LYS 36 2HG LYS 36 -1.399 -12.466 -4.143 63 2HG LYS 36 3HG LYS 36 -2.728 -13.473 -4.682 64 1HD LYS 36 2HD LYS 36 -3.984 -11.018 -4.256 65 2HD LYS 36 3HD LYS 36 -2.409 -10.531 -4.848 66 1HE LYS 36 2HE LYS 36 -2.889 -11.211 -6.967 67 2HE LYS 36 3HE LYS 36 -3.444 -12.779 -6.417 68 1HZ LYS 36 1HZ LYS 36 -5.331 -11.832 -7.241 69 2HZ LYS 36 2HZ LYS 36 -5.485 -11.450 -5.660 70 3HZ LYS 36 3HZ LYS 36 -4.974 -10.324 -6.727 71 H THR 37 HN THR 37 -1.251 -10.647 -3.273 72 HA THR 37 HA THR 37 -0.868 -8.806 -1.007 73 HB THR 37 HB THR 37 1.118 -7.964 -2.059 74 HG1 THR 37 HG1 THR 37 0.230 -9.635 -4.306 75 1HG2 THR 37 1HG2 THR 37 1.488 -10.321 -1.184 76 2HG2 THR 37 2HG2 THR 37 1.095 -10.934 -2.809 77 3HG2 THR 37 3HG2 THR 37 2.534 -9.916 -2.566 78 H GLY 38 HN GLY 38 -1.557 -6.664 -1.280 79 1HA GLY 38 1HA GLY 38 -2.344 -4.959 -2.803 80 2HA GLY 38 2HA GLY 38 -3.168 -6.205 -3.717 81 H HIS 39 HN HIS 39 -3.299 -6.931 -0.370 82 HA HIS 39 HA HIS 39 -5.319 -5.236 0.493 83 1HB HIS 39 2HB HIS 39 -7.310 -6.551 0.263 84 2HB HIS 39 3HB HIS 39 -6.623 -6.285 -1.327 85 HD1 HIS 39 HD1 HIS 39 -5.268 -8.394 -2.384 86 HD2 HIS 39 HD2 HIS 39 -7.693 -9.201 0.942 87 HE1 HIS 39 HE1 HIS 39 -5.612 -10.923 -2.346 88 H ILE 40 HN ILE 40 -6.135 -5.889 2.636 89 HA ILE 40 HA ILE 40 -4.269 -7.776 3.860 90 HB ILE 40 HB ILE 40 -5.980 -5.575 5.018 91 1HG1 ILE 40 2HG1 ILE 40 -3.284 -5.125 5.591 92 2HG1 ILE 40 3HG1 ILE 40 -3.276 -5.681 3.929 93 1HG2 ILE 40 1HG2 ILE 40 -5.920 -7.192 6.714 94 2HG2 ILE 40 2HG2 ILE 40 -4.238 -7.649 6.347 95 3HG2 ILE 40 3HG2 ILE 40 -4.588 -6.077 7.106 96 1HD1 ILE 40 1HD1 ILE 40 -4.616 -3.903 3.172 97 2HD1 ILE 40 2HD1 ILE 40 -5.322 -3.621 4.782 98 3HD1 ILE 40 3HD1 ILE 40 -3.648 -3.119 4.444 99 H LYS 41 HN LYS 41 -5.154 -9.205 5.621 100 HA LYS 41 HA LYS 41 -7.085 -10.874 4.654 101 1HB LYS 41 2HB LYS 41 -5.813 -11.837 6.293 102 2HB LYS 41 3HB LYS 41 -5.812 -10.409 7.307 103 1HG LYS 41 2HG LYS 41 -8.063 -10.830 8.081 104 2HG LYS 41 3HG LYS 41 -8.346 -12.031 6.837 105 1HD LYS 41 2HD LYS 41 -7.851 -13.468 8.581 106 2HD LYS 41 3HD LYS 41 -6.220 -13.215 7.992 107 1HE LYS 41 2HE LYS 41 -5.680 -12.473 10.070 108 2HE LYS 41 3HE LYS 41 -6.633 -11.041 9.733 109 1HZ LYS 41 1HZ LYS 41 -7.250 -13.252 11.406 110 2HZ LYS 41 2HZ LYS 41 -7.866 -11.740 11.415 111 3HZ LYS 41 3HZ LYS 41 -8.484 -12.866 10.407 112 H ARG 42 HN ARG 42 -7.491 -8.243 7.122 113 HA ARG 42 HA ARG 42 -10.181 -8.624 7.460 114 1HB ARG 42 2HB ARG 42 -10.185 -6.443 8.516 115 2HB ARG 42 3HB ARG 42 -8.615 -7.150 8.841 116 1HG ARG 42 2HG ARG 42 -7.837 -5.904 6.664 117 2HG ARG 42 3HG ARG 42 -9.315 -4.977 6.834 118 1HD ARG 42 2HD ARG 42 -7.791 -5.210 9.369 119 2HD ARG 42 3HD ARG 42 -6.892 -4.404 8.098 120 HE ARG 42 HE ARG 42 -9.339 -3.426 9.408 121 1HH1 ARG 42 2HH2 ARG 42 -7.189 -3.114 6.639 122 2HH1 ARG 42 1HH2 ARG 42 -7.694 -1.501 6.267 123 1HH2 ARG 42 2HH1 ARG 42 -10.005 -1.296 8.917 124 2HH2 ARG 42 1HH1 ARG 42 -9.306 -0.459 7.571 125 H ASP 43 HN ASP 43 -8.336 -6.981 4.903 126 HA ASP 43 HA ASP 43 -10.574 -5.566 3.903 127 1HB ASP 43 2HB ASP 43 -8.021 -6.280 2.402 128 2HB ASP 43 3HB ASP 43 -9.091 -4.931 2.082 129 H CYS 44 HN CYS 44 -9.339 -8.814 3.747 130 HA CYS 44 HA CYS 44 -10.386 -9.394 1.141 131 1HB CYS 44 2HB CYS 44 -8.340 -10.486 2.330 132 2HB CYS 44 3HB CYS 44 -9.531 -11.471 3.154 133 H LYS 45 HN LYS 45 -12.627 -8.629 1.583 134 HA LYS 45 HA LYS 45 -14.307 -10.752 2.338 135 1HB LYS 45 2HB LYS 45 -15.349 -9.782 4.332 136 2HB LYS 45 3HB LYS 45 -13.665 -10.180 4.611 137 1HG LYS 45 2HG LYS 45 -13.039 -7.786 4.189 138 2HG LYS 45 3HG LYS 45 -14.730 -7.395 3.941 139 1HD LYS 45 2HD LYS 45 -14.039 -8.823 6.494 140 2HD LYS 45 3HD LYS 45 -13.503 -7.161 6.355 141 1HE LYS 45 2HE LYS 45 -16.346 -7.760 5.561 142 2HE LYS 45 3HE LYS 45 -15.964 -7.809 7.271 143 1HZ LYS 45 1HZ LYS 45 -16.416 -5.585 5.763 144 2HZ LYS 45 2HZ LYS 45 -15.872 -5.622 7.302 145 3HZ LYS 45 3HZ LYS 45 -14.811 -5.547 6.064 146 H GLU 46 HN GLU 46 -14.212 -9.583 -0.029 147 HA GLU 46 HA GLU 46 -16.730 -8.288 -0.147 148 1HB GLU 46 2HB GLU 46 -15.823 -6.268 -1.418 149 2HB GLU 46 3HB GLU 46 -15.529 -6.269 0.309 150 1HG GLU 46 2HG GLU 46 -13.229 -7.197 -0.096 151 2HG GLU 46 3HG GLU 46 -13.525 -7.154 -1.822 152 H GLU 47 HN GLU 47 -13.635 -9.147 -1.795 153 HA GLU 47 HA GLU 47 -13.208 -10.105 -3.694 154 1HB GLU 47 2HB GLU 47 -14.806 -11.840 -2.822 155 2HB GLU 47 3HB GLU 47 -16.110 -11.046 -3.683 156 1HG GLU 47 2HG GLU 47 -15.361 -11.751 -5.768 157 2HG GLU 47 3HG GLU 47 -13.673 -11.712 -5.301
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