NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633006 | 6ct4 | 30442 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 -18.035 2.869 -0.783 2 H3 PRO 1 HT2 PRO 1 -18.682 3.095 0.706 3 HA PRO 1 HA PRO 1 -17.035 4.769 0.195 4 HB2 PRO 1 HB2 PRO 1 -15.218 3.787 1.964 5 HB3 PRO 1 HB1 PRO 1 -16.774 4.482 2.450 6 HG2 PRO 1 HG2 PRO 1 -16.027 1.603 2.093 7 HG3 PRO 1 HG1 PRO 1 -16.989 2.354 3.380 8 HD2 PRO 1 HD2 PRO 1 -18.218 1.022 1.439 9 HD3 PRO 1 HD1 PRO 1 -18.858 2.507 2.098 10 H MET 2 HN MET 2 -14.575 5.033 -0.054 11 HA MET 2 HA MET 2 -13.672 3.103 -2.041 12 HB2 MET 2 HB2 MET 2 -11.884 4.753 -2.555 13 HB3 MET 2 HB1 MET 2 -13.489 5.442 -2.729 14 HG2 MET 2 HG2 MET 2 -13.272 6.564 -0.615 15 HG3 MET 2 HG1 MET 2 -11.718 5.806 -0.326 16 HE1 MET 2 HE1 MET 2 -10.793 9.523 -0.803 17 HE2 MET 2 HE2 MET 2 -10.661 8.092 0.217 18 HE3 MET 2 HE3 MET 2 -12.228 8.860 -0.025 19 H LYS 3 HN LYS 3 -11.876 1.877 -1.786 20 HA LYS 3 HA LYS 3 -10.796 1.775 0.941 21 HB2 LYS 3 HB2 LYS 3 -10.398 -0.620 0.489 22 HB3 LYS 3 HB1 LYS 3 -12.102 -0.198 0.426 23 HG2 LYS 3 HG2 LYS 3 -12.017 -0.193 -2.020 24 HG3 LYS 3 HG1 LYS 3 -10.303 -0.606 -1.968 25 HD2 LYS 3 HD2 LYS 3 -12.570 -2.293 -0.896 26 HD3 LYS 3 HD1 LYS 3 -11.715 -2.561 -2.413 27 HE2 LYS 3 HE2 LYS 3 -9.630 -2.914 -1.183 28 HE3 LYS 3 HE1 LYS 3 -10.472 -2.619 0.333 29 HZ1 LYS 3 HZ1 LYS 3 -11.853 -4.538 -0.112 30 HZ2 LYS 3 HZ2 LYS 3 -10.225 -4.932 -0.026 31 HZ3 LYS 3 HZ3 LYS 3 -10.995 -4.874 -1.531 32 H LYS 4 HN LYS 4 -9.890 3.385 -1.277 33 HA LYS 4 HA LYS 4 -7.684 2.343 -2.642 34 HB2 LYS 4 HB2 LYS 4 -8.376 5.174 -1.891 35 HB3 LYS 4 HB1 LYS 4 -6.995 4.756 -2.886 36 HG2 LYS 4 HG2 LYS 4 -9.859 4.109 -3.560 37 HG3 LYS 4 HG1 LYS 4 -8.957 5.490 -4.186 38 HD2 LYS 4 HD2 LYS 4 -7.308 3.931 -5.167 39 HD3 LYS 4 HD1 LYS 4 -8.278 2.575 -4.598 40 HE2 LYS 4 HE2 LYS 4 -10.142 3.330 -5.964 41 HE3 LYS 4 HE1 LYS 4 -9.187 4.698 -6.535 42 HZ1 LYS 4 HZ1 LYS 4 -8.644 1.814 -7.029 43 HZ2 LYS 4 HZ2 LYS 4 -7.610 3.071 -7.449 44 HZ3 LYS 4 HZ3 LYS 4 -9.128 2.977 -8.156 45 H LEU 5 HN LEU 5 -7.903 3.790 0.543 46 HA LEU 5 HA LEU 5 -5.091 4.021 0.893 47 HB2 LEU 5 HB2 LEU 5 -5.461 4.609 3.148 48 HB3 LEU 5 HB1 LEU 5 -6.841 5.239 2.290 49 HG LEU 5 HG LEU 5 -6.850 2.722 3.978 50 HD11 LEU 5 HD11 LEU 5 -6.488 4.677 5.340 51 HD12 LEU 5 HD12 LEU 5 -8.124 4.057 5.578 52 HD13 LEU 5 HD13 LEU 5 -7.860 5.487 4.583 53 HD21 LEU 5 HD21 LEU 5 -9.254 2.804 3.819 54 HD22 LEU 5 HD22 LEU 5 -8.589 2.765 2.182 55 HD23 LEU 5 HD23 LEU 5 -9.181 4.282 2.871 56 H LYS 6 HN LYS 6 -7.379 1.487 1.411 57 HA LYS 6 HA LYS 6 -5.638 -0.184 2.953 58 HB2 LYS 6 HB2 LYS 6 -8.138 -0.266 3.078 59 HB3 LYS 6 HB1 LYS 6 -8.161 -0.904 1.445 60 HG2 LYS 6 HG2 LYS 6 -8.469 -2.687 3.031 61 HG3 LYS 6 HG1 LYS 6 -6.908 -2.884 2.229 62 HD2 LYS 6 HD2 LYS 6 -5.773 -1.962 4.167 63 HD3 LYS 6 HD1 LYS 6 -7.318 -1.631 4.950 64 HE2 LYS 6 HE2 LYS 6 -7.794 -4.055 4.945 65 HE3 LYS 6 HE1 LYS 6 -6.205 -4.341 4.237 66 HZ1 LYS 6 HZ1 LYS 6 -6.204 -4.652 6.640 67 HZ2 LYS 6 HZ2 LYS 6 -6.679 -3.036 6.862 68 HZ3 LYS 6 HZ3 LYS 6 -5.189 -3.386 6.204 69 H LEU 7 HN LEU 7 -6.748 0.034 -0.379 70 HA LEU 7 HA LEU 7 -5.395 -2.169 -1.447 71 HB2 LEU 7 HB2 LEU 7 -6.051 0.471 -2.761 72 HB3 LEU 7 HB1 LEU 7 -5.538 -0.966 -3.615 73 HG LEU 7 HG LEU 7 -8.104 -0.690 -2.046 74 HD11 LEU 7 HD11 LEU 7 -7.600 -0.751 -5.015 75 HD12 LEU 7 HD12 LEU 7 -8.113 0.648 -4.070 76 HD13 LEU 7 HD13 LEU 7 -9.183 -0.743 -4.236 77 HD21 LEU 7 HD21 LEU 7 -8.693 -2.831 -3.099 78 HD22 LEU 7 HD22 LEU 7 -7.292 -2.982 -2.040 79 HD23 LEU 7 HD23 LEU 7 -7.077 -2.918 -3.792 80 H ALA 8 HN ALA 8 -4.419 1.231 -1.226 81 HA ALA 8 HA ALA 8 -1.889 0.980 -2.376 82 HB1 ALA 8 HB1 ALA 8 -2.767 2.919 -0.239 83 HB2 ALA 8 HB2 ALA 8 -2.974 3.143 -1.976 84 HB3 ALA 8 HB3 ALA 8 -1.356 3.092 -1.280 85 H LEU 9 HN LEU 9 -2.962 0.533 0.938 86 HA LEU 9 HA LEU 9 -0.370 0.264 2.041 87 HB2 LEU 9 HB2 LEU 9 -2.399 0.899 3.318 88 HB3 LEU 9 HB1 LEU 9 -3.008 -0.728 3.115 89 HG LEU 9 HG LEU 9 -1.114 -1.590 4.438 90 HD11 LEU 9 HD11 LEU 9 0.290 -0.021 5.677 91 HD12 LEU 9 HD12 LEU 9 -0.441 1.327 4.808 92 HD13 LEU 9 HD13 LEU 9 0.525 0.132 3.940 93 HD21 LEU 9 HD21 LEU 9 -2.692 0.599 5.787 94 HD22 LEU 9 HD22 LEU 9 -1.875 -0.737 6.599 95 HD23 LEU 9 HD23 LEU 9 -3.236 -1.057 5.525 96 H ARG 10 HN ARG 10 -2.523 -1.950 0.436 97 HA ARG 10 HA ARG 10 -0.989 -4.242 1.332 98 HB2 ARG 10 HB2 ARG 10 -3.294 -4.090 -0.618 99 HB3 ARG 10 HB1 ARG 10 -2.501 -5.578 -0.129 100 HG2 ARG 10 HG2 ARG 10 -4.003 -3.706 1.708 101 HG3 ARG 10 HG1 ARG 10 -4.628 -5.215 1.053 102 HD2 ARG 10 HD2 ARG 10 -3.904 -5.585 3.332 103 HD3 ARG 10 HD1 ARG 10 -2.809 -6.432 2.246 104 HE ARG 10 HE ARG 10 -1.776 -3.873 2.843 105 HH11 ARG 10 HH11 ARG 10 -2.317 -6.970 4.484 106 HH12 ARG 10 HH12 ARG 10 -0.954 -6.830 5.477 107 HH21 ARG 10 HH21 ARG 10 0.151 -3.692 4.213 108 HH22 ARG 10 HH22 ARG 10 0.466 -4.926 5.314 109 H LEU 11 HN LEU 11 -1.335 -2.289 -1.518 110 HA LEU 11 HA LEU 11 0.372 -3.816 -3.160 111 HB2 LEU 11 HB2 LEU 11 -0.154 -0.836 -3.209 112 HB3 LEU 11 HB1 LEU 11 0.576 -1.761 -4.507 113 HG LEU 11 HG LEU 11 -2.260 -2.062 -3.512 114 HD11 LEU 11 HD11 LEU 11 -1.923 0.013 -4.738 115 HD12 LEU 11 HD12 LEU 11 -2.924 -1.124 -5.639 116 HD13 LEU 11 HD13 LEU 11 -1.237 -0.895 -6.089 117 HD21 LEU 11 HD21 LEU 11 -2.562 -3.531 -5.453 118 HD22 LEU 11 HD22 LEU 11 -1.395 -4.182 -4.308 119 HD23 LEU 11 HD23 LEU 11 -0.836 -3.418 -5.798 120 H ALA 12 HN ALA 12 0.931 -1.204 -0.866 121 HA ALA 12 HA ALA 12 3.718 -0.957 -1.278 122 HB1 ALA 12 HB1 ALA 12 2.369 0.792 -0.198 123 HB2 ALA 12 HB2 ALA 12 3.737 0.306 0.802 124 HB3 ALA 12 HB3 ALA 12 2.117 -0.271 1.186 125 H ALA 13 HN ALA 13 1.864 -3.323 0.325 126 HA ALA 13 HA ALA 13 3.878 -4.134 2.164 127 HB1 ALA 13 HB1 ALA 13 1.517 -4.664 2.571 128 HB2 ALA 13 HB2 ALA 13 2.497 -6.129 2.514 129 HB3 ALA 13 HB3 ALA 13 1.497 -5.681 1.131 130 H LYS 14 HN LYS 14 2.971 -4.968 -1.118 131 HA LYS 14 HA LYS 14 5.059 -6.997 -1.195 132 HB2 LYS 14 HB2 LYS 14 2.940 -6.240 -3.202 133 HB3 LYS 14 HB1 LYS 14 4.280 -7.287 -3.623 134 HG2 LYS 14 HG2 LYS 14 2.387 -8.651 -3.143 135 HG3 LYS 14 HG1 LYS 14 3.546 -8.850 -1.837 136 HD2 LYS 14 HD2 LYS 14 2.239 -7.319 -0.444 137 HD3 LYS 14 HD1 LYS 14 1.088 -7.098 -1.763 138 HE2 LYS 14 HE2 LYS 14 1.707 -9.693 -0.365 139 HE3 LYS 14 HE1 LYS 14 0.264 -8.711 -0.121 140 HZ1 LYS 14 HZ1 LYS 14 1.053 -10.042 -2.661 141 HZ2 LYS 14 HZ2 LYS 14 -0.297 -9.060 -2.451 142 HZ3 LYS 14 HZ3 LYS 14 -0.194 -10.525 -1.632 143 H ILE 15 HN ILE 15 4.302 -3.847 -2.555 144 HA ILE 15 HA ILE 15 7.010 -3.774 -3.642 145 HB ILE 15 HB ILE 15 4.783 -1.718 -3.999 146 HG12 ILE 15 HG12 ILE 15 5.661 -3.862 -5.957 147 HG13 ILE 15 HG11 ILE 15 4.186 -3.932 -5.000 148 HG21 ILE 15 HG21 ILE 15 7.397 -2.131 -5.475 149 HG22 ILE 15 HG22 ILE 15 7.055 -0.847 -4.319 150 HG23 ILE 15 HG23 ILE 15 6.191 -0.901 -5.857 151 HD11 ILE 15 HD11 ILE 15 3.355 -1.942 -6.150 152 HD12 ILE 15 HD12 ILE 15 3.746 -3.230 -7.290 153 HD13 ILE 15 HD13 ILE 15 4.845 -1.865 -7.089 154 H ALA 16 HN ALA 16 8.026 -3.591 -1.726 155 HA ALA 16 HA ALA 16 7.049 -1.859 0.340 156 HB1 ALA 16 HB1 ALA 16 8.900 -2.704 1.666 157 HB2 ALA 16 HB2 ALA 16 9.577 -3.491 0.240 158 HB3 ALA 16 HB3 ALA 16 8.026 -4.023 0.887 159 HA PRO 17 HA PRO 17 9.683 1.511 -1.047 160 HB2 PRO 17 HB2 PRO 17 8.426 3.156 0.971 161 HB3 PRO 17 HB1 PRO 17 8.230 3.253 -0.779 162 HG2 PRO 17 HG2 PRO 17 6.244 2.460 0.949 163 HG3 PRO 17 HG1 PRO 17 6.325 2.008 -0.759 164 HD2 PRO 17 HD2 PRO 17 7.074 0.422 1.659 165 HD3 PRO 17 HD1 PRO 17 6.297 -0.091 0.141 166 H VAL 18 HN VAL 18 11.543 0.705 -0.195 167 HA VAL 18 HA VAL 18 11.936 0.961 2.671 168 HB VAL 18 HB VAL 18 13.975 -0.503 2.331 169 HG11 VAL 18 HG11 VAL 18 11.845 -1.401 3.120 170 HG12 VAL 18 HG12 VAL 18 12.672 -2.565 2.086 171 HG13 VAL 18 HG13 VAL 18 11.315 -1.631 1.455 172 HG21 VAL 18 HG21 VAL 18 14.105 -1.816 0.249 173 HG22 VAL 18 HG22 VAL 18 14.337 -0.096 -0.066 174 HG23 VAL 18 HG23 VAL 18 12.790 -0.859 -0.432 175 H TRP 19 HN TRP 19 13.576 1.800 -0.374 176 HA TRP 19 HA TRP 19 14.532 4.225 0.664 177 HB2 TRP 19 HB2 TRP 19 16.060 2.483 1.796 178 HB3 TRP 19 HB1 TRP 19 16.684 2.141 0.193 179 HD1 TRP 19 HD1 TRP 19 16.850 4.640 3.006 180 HE1 TRP 19 HE1 TRP 19 18.738 6.348 2.544 181 HE3 TRP 19 HE3 TRP 19 17.902 3.381 -1.819 182 HZ2 TRP 19 HZ2 TRP 19 20.431 7.057 0.388 183 HZ3 TRP 19 HZ3 TRP 19 19.660 4.618 -3.013 184 HH2 TRP 19 HH2 TRP 19 20.891 6.414 -1.929 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 -11.104 0.863 -6.333 2 H3 PRO 1 HT2 PRO 1 -11.949 0.113 -7.526 3 HA PRO 1 HA PRO 1 -13.280 1.407 -6.009 4 HB2 PRO 1 HB2 PRO 1 -14.097 -1.284 -5.158 5 HB3 PRO 1 HB1 PRO 1 -14.976 -0.100 -6.137 6 HG2 PRO 1 HG2 PRO 1 -13.900 -2.303 -7.245 7 HG3 PRO 1 HG1 PRO 1 -13.957 -0.753 -8.104 8 HD2 PRO 1 HD2 PRO 1 -11.703 -2.099 -6.722 9 HD3 PRO 1 HD1 PRO 1 -11.667 -1.228 -8.232 10 H MET 2 HN MET 2 -14.376 0.977 -3.699 11 HA MET 2 HA MET 2 -14.193 1.007 -1.445 12 HB2 MET 2 HB2 MET 2 -11.781 -0.786 -1.870 13 HB3 MET 2 HB1 MET 2 -12.450 -0.397 -0.300 14 HG2 MET 2 HG2 MET 2 -14.538 -1.517 -0.943 15 HG3 MET 2 HG1 MET 2 -13.812 -1.923 -2.499 16 HE1 MET 2 HE1 MET 2 -13.858 -5.386 -0.649 17 HE2 MET 2 HE2 MET 2 -14.382 -4.486 -2.072 18 HE3 MET 2 HE3 MET 2 -15.067 -4.113 -0.492 19 H LYS 3 HN LYS 3 -12.158 1.310 0.319 20 HA LYS 3 HA LYS 3 -11.105 3.873 -0.229 21 HB2 LYS 3 HB2 LYS 3 -10.246 1.841 1.831 22 HB3 LYS 3 HB1 LYS 3 -9.836 3.546 1.837 23 HG2 LYS 3 HG2 LYS 3 -12.185 4.109 2.172 24 HG3 LYS 3 HG1 LYS 3 -12.593 2.387 2.152 25 HD2 LYS 3 HD2 LYS 3 -11.090 2.025 4.047 26 HD3 LYS 3 HD1 LYS 3 -10.740 3.748 4.072 27 HE2 LYS 3 HE2 LYS 3 -13.080 4.233 4.556 28 HE3 LYS 3 HE1 LYS 3 -13.453 2.509 4.500 29 HZ1 LYS 3 HZ1 LYS 3 -13.183 3.256 6.756 30 HZ2 LYS 3 HZ2 LYS 3 -11.634 3.833 6.438 31 HZ3 LYS 3 HZ3 LYS 3 -11.956 2.170 6.366 32 H LYS 4 HN LYS 4 -9.511 4.198 -1.630 33 HA LYS 4 HA LYS 4 -7.922 2.107 -2.643 34 HB2 LYS 4 HB2 LYS 4 -6.689 3.861 -3.859 35 HB3 LYS 4 HB1 LYS 4 -8.430 3.981 -4.054 36 HG2 LYS 4 HG2 LYS 4 -8.508 5.797 -2.461 37 HG3 LYS 4 HG1 LYS 4 -6.770 5.650 -2.185 38 HD2 LYS 4 HD2 LYS 4 -6.356 6.177 -4.524 39 HD3 LYS 4 HD1 LYS 4 -8.093 6.322 -4.803 40 HE2 LYS 4 HE2 LYS 4 -8.207 8.145 -3.210 41 HE3 LYS 4 HE1 LYS 4 -6.487 7.982 -2.880 42 HZ1 LYS 4 HZ1 LYS 4 -6.017 8.593 -5.155 43 HZ2 LYS 4 HZ2 LYS 4 -6.965 9.782 -4.454 44 HZ3 LYS 4 HZ3 LYS 4 -7.651 8.669 -5.516 45 H LEU 5 HN LEU 5 -7.525 4.157 0.094 46 HA LEU 5 HA LEU 5 -4.711 3.792 0.286 47 HB2 LEU 5 HB2 LEU 5 -6.689 4.470 2.451 48 HB3 LEU 5 HB1 LEU 5 -4.956 4.430 2.678 49 HG LEU 5 HG LEU 5 -6.561 6.367 1.035 50 HD11 LEU 5 HD11 LEU 5 -5.509 8.004 2.514 51 HD12 LEU 5 HD12 LEU 5 -4.701 6.694 3.368 52 HD13 LEU 5 HD13 LEU 5 -6.459 6.814 3.404 53 HD21 LEU 5 HD21 LEU 5 -4.425 7.407 0.412 54 HD22 LEU 5 HD22 LEU 5 -4.592 5.795 -0.271 55 HD23 LEU 5 HD23 LEU 5 -3.558 6.052 1.137 56 H LYS 6 HN LYS 6 -7.463 1.894 1.245 57 HA LYS 6 HA LYS 6 -5.982 0.153 2.960 58 HB2 LYS 6 HB2 LYS 6 -8.487 0.370 3.033 59 HB3 LYS 6 HB1 LYS 6 -8.561 -0.426 1.467 60 HG2 LYS 6 HG2 LYS 6 -7.472 -2.404 2.455 61 HG3 LYS 6 HG1 LYS 6 -7.514 -1.609 4.025 62 HD2 LYS 6 HD2 LYS 6 -9.959 -1.533 3.907 63 HD3 LYS 6 HD1 LYS 6 -9.907 -2.337 2.337 64 HE2 LYS 6 HE2 LYS 6 -9.006 -3.459 4.997 65 HE3 LYS 6 HE1 LYS 6 -10.378 -3.984 4.029 66 HZ1 LYS 6 HZ1 LYS 6 -8.820 -4.679 2.296 67 HZ2 LYS 6 HZ2 LYS 6 -8.548 -5.490 3.739 68 HZ3 LYS 6 HZ3 LYS 6 -7.509 -4.254 3.280 69 H LEU 7 HN LEU 7 -6.704 0.381 -0.405 70 HA LEU 7 HA LEU 7 -5.656 -2.132 -1.191 71 HB2 LEU 7 HB2 LEU 7 -5.797 0.409 -2.820 72 HB3 LEU 7 HB1 LEU 7 -5.637 -1.217 -3.444 73 HG LEU 7 HG LEU 7 -8.068 -0.057 -2.083 74 HD11 LEU 7 HD11 LEU 7 -9.108 -0.292 -4.269 75 HD12 LEU 7 HD12 LEU 7 -7.584 -0.876 -4.935 76 HD13 LEU 7 HD13 LEU 7 -7.707 0.777 -4.340 77 HD21 LEU 7 HD21 LEU 7 -7.847 -2.431 -1.559 78 HD22 LEU 7 HD22 LEU 7 -7.644 -2.796 -3.274 79 HD23 LEU 7 HD23 LEU 7 -9.179 -2.159 -2.683 80 H ALA 8 HN ALA 8 -4.396 1.173 -1.187 81 HA ALA 8 HA ALA 8 -1.824 0.716 -2.075 82 HB1 ALA 8 HB1 ALA 8 -1.226 2.838 -1.060 83 HB2 ALA 8 HB2 ALA 8 -2.673 2.787 -0.055 84 HB3 ALA 8 HB3 ALA 8 -2.821 2.950 -1.806 85 H LEU 9 HN LEU 9 -3.048 0.527 1.243 86 HA LEU 9 HA LEU 9 -0.616 0.080 2.537 87 HB2 LEU 9 HB2 LEU 9 -3.363 -0.942 3.243 88 HB3 LEU 9 HB1 LEU 9 -1.978 -1.070 4.300 89 HG LEU 9 HG LEU 9 -3.241 1.508 3.370 90 HD11 LEU 9 HD11 LEU 9 -3.960 1.726 5.693 91 HD12 LEU 9 HD12 LEU 9 -3.294 0.134 6.051 92 HD13 LEU 9 HD13 LEU 9 -4.650 0.292 4.934 93 HD21 LEU 9 HD21 LEU 9 -0.845 1.783 3.748 94 HD22 LEU 9 HD22 LEU 9 -0.990 1.006 5.323 95 HD23 LEU 9 HD23 LEU 9 -1.764 2.563 5.035 96 H ARG 10 HN ARG 10 -2.649 -2.189 0.801 97 HA ARG 10 HA ARG 10 -0.974 -4.376 1.670 98 HB2 ARG 10 HB2 ARG 10 -3.399 -4.309 -0.103 99 HB3 ARG 10 HB1 ARG 10 -2.453 -5.768 0.139 100 HG2 ARG 10 HG2 ARG 10 -3.771 -4.207 2.356 101 HG3 ARG 10 HG1 ARG 10 -4.481 -5.617 1.572 102 HD2 ARG 10 HD2 ARG 10 -3.468 -6.331 3.640 103 HD3 ARG 10 HD1 ARG 10 -2.502 -6.949 2.310 104 HE ARG 10 HE ARG 10 -1.630 -4.460 3.570 105 HH11 ARG 10 HH11 ARG 10 -1.136 -7.962 3.243 106 HH12 ARG 10 HH12 ARG 10 0.415 -7.948 3.917 107 HH21 ARG 10 HH21 ARG 10 0.555 -4.473 4.515 108 HH22 ARG 10 HH22 ARG 10 1.371 -5.957 4.670 109 H LEU 11 HN LEU 11 -1.390 -2.420 -1.165 110 HA LEU 11 HA LEU 11 0.388 -3.973 -2.744 111 HB2 LEU 11 HB2 LEU 11 -0.819 -1.262 -3.044 112 HB3 LEU 11 HB1 LEU 11 0.564 -1.670 -4.033 113 HG LEU 11 HG LEU 11 -1.503 -1.995 -5.259 114 HD11 LEU 11 HD11 LEU 11 0.375 -3.430 -5.768 115 HD12 LEU 11 HD12 LEU 11 -1.161 -4.238 -6.052 116 HD13 LEU 11 HD13 LEU 11 -0.213 -4.635 -4.620 117 HD21 LEU 11 HD21 LEU 11 -3.030 -2.489 -3.417 118 HD22 LEU 11 HD22 LEU 11 -2.228 -4.039 -3.161 119 HD23 LEU 11 HD23 LEU 11 -3.111 -3.737 -4.659 120 H ALA 12 HN ALA 12 0.822 -1.430 -0.438 121 HA ALA 12 HA ALA 12 3.492 -0.776 -1.044 122 HB1 ALA 12 HB1 ALA 12 3.580 0.179 1.198 123 HB2 ALA 12 HB2 ALA 12 2.084 -0.657 1.619 124 HB3 ALA 12 HB3 ALA 12 2.071 0.609 0.392 125 H ALA 13 HN ALA 13 2.083 -3.460 0.576 126 HA ALA 13 HA ALA 13 4.458 -4.361 1.862 127 HB1 ALA 13 HB1 ALA 13 2.233 -5.129 2.566 128 HB2 ALA 13 HB2 ALA 13 3.277 -6.482 2.131 129 HB3 ALA 13 HB3 ALA 13 2.026 -5.938 1.013 130 H LYS 14 HN LYS 14 3.089 -4.681 -1.327 131 HA LYS 14 HA LYS 14 4.965 -6.720 -2.159 132 HB2 LYS 14 HB2 LYS 14 2.978 -5.059 -3.711 133 HB3 LYS 14 HB1 LYS 14 3.879 -6.423 -4.347 134 HG2 LYS 14 HG2 LYS 14 1.850 -6.542 -2.122 135 HG3 LYS 14 HG1 LYS 14 1.573 -7.022 -3.798 136 HD2 LYS 14 HD2 LYS 14 3.383 -8.683 -3.566 137 HD3 LYS 14 HD1 LYS 14 3.528 -8.257 -1.865 138 HE2 LYS 14 HE2 LYS 14 1.246 -8.958 -1.460 139 HE3 LYS 14 HE1 LYS 14 1.031 -9.314 -3.175 140 HZ1 LYS 14 HZ1 LYS 14 1.463 -11.316 -1.945 141 HZ2 LYS 14 HZ2 LYS 14 2.881 -10.683 -1.309 142 HZ3 LYS 14 HZ3 LYS 14 2.779 -10.993 -2.960 143 H ILE 15 HN ILE 15 4.435 -3.263 -2.544 144 HA ILE 15 HA ILE 15 7.167 -2.774 -3.001 145 HB ILE 15 HB ILE 15 6.670 -3.493 -5.275 146 HG12 ILE 15 HG12 ILE 15 7.221 -1.416 -6.571 147 HG13 ILE 15 HG11 ILE 15 6.935 -0.498 -5.097 148 HG21 ILE 15 HG21 ILE 15 4.289 -3.219 -5.362 149 HG22 ILE 15 HG22 ILE 15 5.035 -2.391 -6.728 150 HG23 ILE 15 HG23 ILE 15 4.457 -1.464 -5.345 151 HD11 ILE 15 HD11 ILE 15 9.040 -2.615 -5.455 152 HD12 ILE 15 HD12 ILE 15 8.771 -1.648 -4.001 153 HD13 ILE 15 HD13 ILE 15 9.303 -0.874 -5.491 154 H ALA 16 HN ALA 16 7.394 -1.144 -1.723 155 HA ALA 16 HA ALA 16 5.227 0.703 -1.226 156 HB1 ALA 16 HB1 ALA 16 6.642 1.515 0.592 157 HB2 ALA 16 HB2 ALA 16 7.951 0.470 0.042 158 HB3 ALA 16 HB3 ALA 16 6.457 -0.236 0.654 159 HA PRO 17 HA PRO 17 6.755 3.700 -4.061 160 HB2 PRO 17 HB2 PRO 17 5.586 5.939 -3.028 161 HB3 PRO 17 HB1 PRO 17 4.706 4.719 -3.956 162 HG2 PRO 17 HG2 PRO 17 4.867 5.102 -0.997 163 HG3 PRO 17 HG1 PRO 17 3.462 4.690 -1.992 164 HD2 PRO 17 HD2 PRO 17 4.819 2.851 -0.557 165 HD3 PRO 17 HD1 PRO 17 4.036 2.462 -2.100 166 H VAL 18 HN VAL 18 7.015 4.610 -0.630 167 HA VAL 18 HA VAL 18 9.491 6.036 -1.337 168 HB VAL 18 HB VAL 18 7.486 6.850 0.787 169 HG11 VAL 18 HG11 VAL 18 8.940 8.801 1.176 170 HG12 VAL 18 HG12 VAL 18 10.137 8.115 0.075 171 HG13 VAL 18 HG13 VAL 18 9.749 7.287 1.580 172 HG21 VAL 18 HG21 VAL 18 8.347 8.193 -1.772 173 HG22 VAL 18 HG22 VAL 18 7.265 8.891 -0.572 174 HG23 VAL 18 HG23 VAL 18 6.779 7.444 -1.461 175 H TRP 19 HN TRP 19 7.856 4.498 1.441 176 HA TRP 19 HA TRP 19 10.205 4.403 2.936 177 HB2 TRP 19 HB2 TRP 19 8.877 2.905 4.489 178 HB3 TRP 19 HB1 TRP 19 8.228 4.507 4.190 179 HD1 TRP 19 HD1 TRP 19 7.372 0.847 3.926 180 HE1 TRP 19 HE1 TRP 19 4.934 0.587 3.114 181 HE3 TRP 19 HE3 TRP 19 6.444 5.689 2.557 182 HZ2 TRP 19 HZ2 TRP 19 2.906 2.222 2.018 183 HZ3 TRP 19 HZ3 TRP 19 4.230 6.247 1.626 184 HH2 TRP 19 HH2 TRP 19 2.508 4.547 1.371 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -18.041 1.878 1.895 2 H3 PRO 1 HT2 PRO 1 -16.521 1.129 1.410 3 HA PRO 1 HA PRO 1 -17.132 3.965 0.964 4 HB2 PRO 1 HB2 PRO 1 -15.231 3.574 3.094 5 HB3 PRO 1 HB1 PRO 1 -16.726 4.517 3.117 6 HG2 PRO 1 HG2 PRO 1 -16.394 2.196 4.499 7 HG3 PRO 1 HG1 PRO 1 -17.966 2.781 3.930 8 HD2 PRO 1 HD2 PRO 1 -16.176 0.687 2.832 9 HD3 PRO 1 HD1 PRO 1 -17.930 0.664 2.917 10 H MET 2 HN MET 2 -14.849 5.044 1.075 11 HA MET 2 HA MET 2 -13.254 4.008 -0.944 12 HB2 MET 2 HB2 MET 2 -12.576 5.972 1.250 13 HB3 MET 2 HB1 MET 2 -11.480 5.573 -0.063 14 HG2 MET 2 HG2 MET 2 -14.200 6.812 -0.366 15 HG3 MET 2 HG1 MET 2 -12.655 7.655 -0.469 16 HE1 MET 2 HE1 MET 2 -14.785 7.939 -2.686 17 HE2 MET 2 HE2 MET 2 -13.849 7.713 -4.161 18 HE3 MET 2 HE3 MET 2 -13.182 8.660 -2.831 19 H LYS 3 HN LYS 3 -11.769 2.513 -1.003 20 HA LYS 3 HA LYS 3 -10.593 1.569 1.505 21 HB2 LYS 3 HB2 LYS 3 -10.676 -0.699 0.474 22 HB3 LYS 3 HB1 LYS 3 -12.260 -0.015 0.820 23 HG2 LYS 3 HG2 LYS 3 -12.400 0.694 -1.564 24 HG3 LYS 3 HG1 LYS 3 -10.904 -0.193 -1.861 25 HD2 LYS 3 HD2 LYS 3 -11.948 -2.221 -1.118 26 HD3 LYS 3 HD1 LYS 3 -13.455 -1.365 -0.777 27 HE2 LYS 3 HE2 LYS 3 -13.530 -0.695 -3.179 28 HE3 LYS 3 HE1 LYS 3 -12.136 -1.732 -3.460 29 HZ1 LYS 3 HZ1 LYS 3 -14.755 -2.666 -2.418 30 HZ2 LYS 3 HZ2 LYS 3 -13.429 -3.628 -2.783 31 HZ3 LYS 3 HZ3 LYS 3 -14.236 -2.819 -4.009 32 H LYS 4 HN LYS 4 -9.927 3.315 -0.990 33 HA LYS 4 HA LYS 4 -7.894 1.930 -2.372 34 HB2 LYS 4 HB2 LYS 4 -7.272 4.138 -3.323 35 HB3 LYS 4 HB1 LYS 4 -8.964 3.723 -3.508 36 HG2 LYS 4 HG2 LYS 4 -9.534 5.210 -1.654 37 HG3 LYS 4 HG1 LYS 4 -7.825 5.620 -1.465 38 HD2 LYS 4 HD2 LYS 4 -7.766 6.537 -3.700 39 HD3 LYS 4 HD1 LYS 4 -9.438 6.045 -3.969 40 HE2 LYS 4 HE2 LYS 4 -10.154 7.554 -2.170 41 HE3 LYS 4 HE1 LYS 4 -8.479 8.047 -1.926 42 HZ1 LYS 4 HZ1 LYS 4 -9.658 9.632 -3.273 43 HZ2 LYS 4 HZ2 LYS 4 -10.081 8.451 -4.392 44 HZ3 LYS 4 HZ3 LYS 4 -8.456 8.891 -4.205 45 H LEU 5 HN LEU 5 -7.800 3.822 0.592 46 HA LEU 5 HA LEU 5 -5.046 4.144 0.738 47 HB2 LEU 5 HB2 LEU 5 -6.872 5.316 1.957 48 HB3 LEU 5 HB1 LEU 5 -7.195 3.844 2.828 49 HG LEU 5 HG LEU 5 -6.095 5.613 3.999 50 HD11 LEU 5 HD11 LEU 5 -4.360 4.174 5.161 51 HD12 LEU 5 HD12 LEU 5 -4.556 3.004 3.853 52 HD13 LEU 5 HD13 LEU 5 -5.912 3.373 4.914 53 HD21 LEU 5 HD21 LEU 5 -4.613 6.518 2.366 54 HD22 LEU 5 HD22 LEU 5 -3.719 5.000 2.260 55 HD23 LEU 5 HD23 LEU 5 -3.640 5.967 3.730 56 H LYS 6 HN LYS 6 -7.339 1.659 1.693 57 HA LYS 6 HA LYS 6 -5.545 -0.043 3.085 58 HB2 LYS 6 HB2 LYS 6 -8.140 -0.676 1.672 59 HB3 LYS 6 HB1 LYS 6 -7.306 -1.762 2.767 60 HG2 LYS 6 HG2 LYS 6 -8.393 0.943 3.537 61 HG3 LYS 6 HG1 LYS 6 -9.253 -0.576 3.763 62 HD2 LYS 6 HD2 LYS 6 -6.582 0.127 5.003 63 HD3 LYS 6 HD1 LYS 6 -8.136 0.200 5.826 64 HE2 LYS 6 HE2 LYS 6 -6.860 -2.298 4.684 65 HE3 LYS 6 HE1 LYS 6 -6.907 -1.850 6.380 66 HZ1 LYS 6 HZ1 LYS 6 -8.590 -3.466 5.833 67 HZ2 LYS 6 HZ2 LYS 6 -9.280 -2.451 4.686 68 HZ3 LYS 6 HZ3 LYS 6 -9.321 -2.031 6.322 69 H LEU 7 HN LEU 7 -6.726 0.142 -0.198 70 HA LEU 7 HA LEU 7 -5.427 -2.133 -1.232 71 HB2 LEU 7 HB2 LEU 7 -6.253 0.392 -2.661 72 HB3 LEU 7 HB1 LEU 7 -5.848 -1.123 -3.436 73 HG LEU 7 HG LEU 7 -8.213 -0.655 -1.617 74 HD11 LEU 7 HD11 LEU 7 -8.463 0.437 -3.769 75 HD12 LEU 7 HD12 LEU 7 -9.544 -0.946 -3.621 76 HD13 LEU 7 HD13 LEU 7 -8.074 -1.076 -4.585 77 HD21 LEU 7 HD21 LEU 7 -7.402 -3.101 -3.183 78 HD22 LEU 7 HD22 LEU 7 -8.925 -2.892 -2.319 79 HD23 LEU 7 HD23 LEU 7 -7.406 -2.937 -1.425 80 H ALA 8 HN ALA 8 -4.462 1.250 -0.985 81 HA ALA 8 HA ALA 8 -2.048 1.111 -2.385 82 HB1 ALA 8 HB1 ALA 8 -2.751 2.881 -0.045 83 HB2 ALA 8 HB2 ALA 8 -3.094 3.224 -1.741 84 HB3 ALA 8 HB3 ALA 8 -1.425 3.145 -1.177 85 H LEU 9 HN LEU 9 -2.778 0.564 1.030 86 HA LEU 9 HA LEU 9 -0.112 0.015 1.753 87 HB2 LEU 9 HB2 LEU 9 -2.739 -0.386 3.068 88 HB3 LEU 9 HB1 LEU 9 -1.406 -1.347 3.668 89 HG LEU 9 HG LEU 9 -1.733 0.646 5.020 90 HD11 LEU 9 HD11 LEU 9 0.505 -0.255 4.805 91 HD12 LEU 9 HD12 LEU 9 0.531 1.490 5.016 92 HD13 LEU 9 HD13 LEU 9 0.816 0.797 3.422 93 HD21 LEU 9 HD21 LEU 9 -1.106 2.218 2.518 94 HD22 LEU 9 HD22 LEU 9 -1.312 2.888 4.139 95 HD23 LEU 9 HD23 LEU 9 -2.675 2.132 3.314 96 H ARG 10 HN ARG 10 -2.653 -2.023 0.535 97 HA ARG 10 HA ARG 10 -1.386 -4.523 0.870 98 HB2 ARG 10 HB2 ARG 10 -3.269 -3.573 -1.292 99 HB3 ARG 10 HB1 ARG 10 -2.737 -5.238 -1.134 100 HG2 ARG 10 HG2 ARG 10 -4.271 -3.701 0.954 101 HG3 ARG 10 HG1 ARG 10 -4.975 -4.839 -0.196 102 HD2 ARG 10 HD2 ARG 10 -2.906 -5.484 1.908 103 HD3 ARG 10 HD1 ARG 10 -4.616 -5.901 1.960 104 HE ARG 10 HE ARG 10 -3.370 -6.894 -0.388 105 HH11 ARG 10 HH11 ARG 10 -3.812 -7.573 3.040 106 HH12 ARG 10 HH12 ARG 10 -3.481 -9.236 2.908 107 HH21 ARG 10 HH21 ARG 10 -2.910 -9.136 -0.602 108 HH22 ARG 10 HH22 ARG 10 -2.940 -10.156 0.763 109 H LEU 11 HN LEU 11 -1.198 -2.137 -1.676 110 HA LEU 11 HA LEU 11 0.603 -3.557 -3.346 111 HB2 LEU 11 HB2 LEU 11 0.118 -0.595 -3.087 112 HB3 LEU 11 HB1 LEU 11 1.003 -1.358 -4.393 113 HG LEU 11 HG LEU 11 -1.920 -1.794 -3.796 114 HD11 LEU 11 HD11 LEU 11 -0.587 -0.151 -5.937 115 HD12 LEU 11 HD12 LEU 11 -1.481 0.475 -4.553 116 HD13 LEU 11 HD13 LEU 11 -2.317 -0.459 -5.793 117 HD21 LEU 11 HD21 LEU 11 -0.882 -3.714 -4.875 118 HD22 LEU 11 HD22 LEU 11 -0.198 -2.660 -6.114 119 HD23 LEU 11 HD23 LEU 11 -1.945 -2.867 -5.997 120 H ALA 12 HN ALA 12 0.973 -1.190 -0.790 121 HA ALA 12 HA ALA 12 3.767 -0.805 -1.037 122 HB1 ALA 12 HB1 ALA 12 2.253 0.798 0.063 123 HB2 ALA 12 HB2 ALA 12 3.609 0.339 1.090 124 HB3 ALA 12 HB3 ALA 12 2.016 -0.357 1.374 125 H ALA 13 HN ALA 13 1.863 -3.218 0.474 126 HA ALA 13 HA ALA 13 3.809 -4.169 2.302 127 HB1 ALA 13 HB1 ALA 13 1.468 -5.610 1.068 128 HB2 ALA 13 HB2 ALA 13 1.423 -4.653 2.547 129 HB3 ALA 13 HB3 ALA 13 2.383 -6.133 2.481 130 H LYS 14 HN LYS 14 2.874 -5.053 -0.975 131 HA LYS 14 HA LYS 14 4.844 -7.173 -1.089 132 HB2 LYS 14 HB2 LYS 14 3.105 -6.058 -3.278 133 HB3 LYS 14 HB1 LYS 14 3.987 -7.580 -3.291 134 HG2 LYS 14 HG2 LYS 14 2.585 -8.370 -1.412 135 HG3 LYS 14 HG1 LYS 14 1.680 -6.863 -1.502 136 HD2 LYS 14 HD2 LYS 14 0.486 -8.594 -2.657 137 HD3 LYS 14 HD1 LYS 14 1.060 -7.395 -3.814 138 HE2 LYS 14 HE2 LYS 14 2.912 -8.825 -4.454 139 HE3 LYS 14 HE1 LYS 14 2.453 -10.008 -3.231 140 HZ1 LYS 14 HZ1 LYS 14 0.808 -9.228 -5.570 141 HZ2 LYS 14 HZ2 LYS 14 0.428 -10.425 -4.438 142 HZ3 LYS 14 HZ3 LYS 14 1.753 -10.608 -5.455 143 H ILE 15 HN ILE 15 4.367 -3.933 -2.325 144 HA ILE 15 HA ILE 15 6.911 -4.016 -3.723 145 HB ILE 15 HB ILE 15 4.770 -1.867 -3.600 146 HG12 ILE 15 HG12 ILE 15 3.949 -3.815 -4.812 147 HG13 ILE 15 HG11 ILE 15 4.242 -2.493 -5.931 148 HG21 ILE 15 HG21 ILE 15 5.946 -0.772 -5.430 149 HG22 ILE 15 HG22 ILE 15 7.201 -2.006 -5.370 150 HG23 ILE 15 HG23 ILE 15 6.977 -0.911 -4.003 151 HD11 ILE 15 HD11 ILE 15 4.958 -4.600 -6.882 152 HD12 ILE 15 HD12 ILE 15 6.005 -4.900 -5.499 153 HD13 ILE 15 HD13 ILE 15 6.359 -3.565 -6.598 154 H ALA 16 HN ALA 16 8.491 -3.770 -2.300 155 HA ALA 16 HA ALA 16 8.207 -2.226 0.075 156 HB1 ALA 16 HB1 ALA 16 10.663 -3.437 -1.215 157 HB2 ALA 16 HB2 ALA 16 9.655 -4.203 0.011 158 HB3 ALA 16 HB3 ALA 16 10.593 -2.766 0.415 159 HA PRO 17 HA PRO 17 9.280 1.732 -1.580 160 HB2 PRO 17 HB2 PRO 17 10.967 2.259 0.784 161 HB3 PRO 17 HB1 PRO 17 9.527 3.115 0.228 162 HG2 PRO 17 HG2 PRO 17 9.481 1.538 2.395 163 HG3 PRO 17 HG1 PRO 17 8.091 1.677 1.308 164 HD2 PRO 17 HD2 PRO 17 10.117 -0.509 1.530 165 HD3 PRO 17 HD1 PRO 17 8.369 -0.609 1.243 166 H VAL 18 HN VAL 18 10.558 1.233 -3.237 167 HA VAL 18 HA VAL 18 13.387 0.761 -2.862 168 HB VAL 18 HB VAL 18 13.470 0.620 -5.355 169 HG11 VAL 18 HG11 VAL 18 11.334 -1.077 -4.074 170 HG12 VAL 18 HG12 VAL 18 13.068 -1.399 -4.065 171 HG13 VAL 18 HG13 VAL 18 12.171 -1.446 -5.581 172 HG21 VAL 18 HG21 VAL 18 10.487 1.068 -5.180 173 HG22 VAL 18 HG22 VAL 18 11.373 0.604 -6.633 174 HG23 VAL 18 HG23 VAL 18 11.665 2.176 -5.886 175 H TRP 19 HN TRP 19 14.740 2.111 -4.603 176 HA TRP 19 HA TRP 19 13.916 4.885 -4.342 177 HB2 TRP 19 HB2 TRP 19 15.704 4.066 -2.643 178 HB3 TRP 19 HB1 TRP 19 16.784 4.027 -4.033 179 HD1 TRP 19 HD1 TRP 19 17.908 6.285 -4.680 180 HE1 TRP 19 HE1 TRP 19 17.645 8.739 -3.867 181 HE3 TRP 19 HE3 TRP 19 13.765 5.752 -1.745 182 HZ2 TRP 19 HZ2 TRP 19 15.927 10.212 -2.211 183 HZ3 TRP 19 HZ3 TRP 19 12.875 7.733 -0.580 184 HH2 TRP 19 HH2 TRP 19 13.937 9.911 -0.814 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 -17.983 0.607 -1.108 2 H3 PRO 1 HT2 PRO 1 -18.914 1.818 -1.638 3 HA PRO 1 HA PRO 1 -16.812 1.988 -2.649 4 HB2 PRO 1 HB2 PRO 1 -15.861 3.935 -0.887 5 HB3 PRO 1 HB1 PRO 1 -16.937 4.221 -2.258 6 HG2 PRO 1 HG2 PRO 1 -17.595 3.886 0.626 7 HG3 PRO 1 HG1 PRO 1 -18.396 4.883 -0.599 8 HD2 PRO 1 HD2 PRO 1 -19.539 2.647 0.249 9 HD3 PRO 1 HD1 PRO 1 -19.606 3.146 -1.437 10 H MET 2 HN MET 2 -14.742 1.372 -2.630 11 HA MET 2 HA MET 2 -13.850 -0.079 -0.278 12 HB2 MET 2 HB2 MET 2 -12.164 -1.058 -1.734 13 HB3 MET 2 HB1 MET 2 -13.754 -1.212 -2.461 14 HG2 MET 2 HG2 MET 2 -13.184 0.791 -3.866 15 HG3 MET 2 HG1 MET 2 -11.541 0.679 -3.236 16 HE1 MET 2 HE1 MET 2 -14.078 -2.238 -4.225 17 HE2 MET 2 HE2 MET 2 -13.628 -2.455 -5.915 18 HE3 MET 2 HE3 MET 2 -14.331 -0.933 -5.378 19 H LYS 3 HN LYS 3 -11.649 0.215 0.492 20 HA LYS 3 HA LYS 3 -11.084 3.060 0.502 21 HB2 LYS 3 HB2 LYS 3 -9.785 0.934 2.202 22 HB3 LYS 3 HB1 LYS 3 -9.774 2.665 2.472 23 HG2 LYS 3 HG2 LYS 3 -12.109 0.794 2.729 24 HG3 LYS 3 HG1 LYS 3 -11.253 1.613 4.029 25 HD2 LYS 3 HD2 LYS 3 -12.850 2.997 1.863 26 HD3 LYS 3 HD1 LYS 3 -13.445 2.632 3.479 27 HE2 LYS 3 HE2 LYS 3 -11.727 4.045 4.444 28 HE3 LYS 3 HE1 LYS 3 -11.089 4.399 2.840 29 HZ1 LYS 3 HZ1 LYS 3 -13.814 5.078 3.797 30 HZ2 LYS 3 HZ2 LYS 3 -13.185 5.440 2.272 31 HZ3 LYS 3 HZ3 LYS 3 -12.537 6.166 3.631 32 H LYS 4 HN LYS 4 -9.750 3.708 -1.028 33 HA LYS 4 HA LYS 4 -7.905 2.028 -2.340 34 HB2 LYS 4 HB2 LYS 4 -7.032 4.051 -3.409 35 HB3 LYS 4 HB1 LYS 4 -8.786 4.054 -3.424 36 HG2 LYS 4 HG2 LYS 4 -8.793 5.611 -1.540 37 HG3 LYS 4 HG1 LYS 4 -7.029 5.614 -1.541 38 HD2 LYS 4 HD2 LYS 4 -7.054 6.500 -3.831 39 HD3 LYS 4 HD1 LYS 4 -8.820 6.521 -3.794 40 HE2 LYS 4 HE2 LYS 4 -8.691 8.038 -1.825 41 HE3 LYS 4 HE1 LYS 4 -6.945 8.086 -2.034 42 HZ1 LYS 4 HZ1 LYS 4 -8.016 9.975 -3.022 43 HZ2 LYS 4 HZ2 LYS 4 -8.935 8.972 -4.035 44 HZ3 LYS 4 HZ3 LYS 4 -7.254 9.044 -4.213 45 H LEU 5 HN LEU 5 -7.742 3.927 0.547 46 HA LEU 5 HA LEU 5 -4.930 3.938 0.747 47 HB2 LEU 5 HB2 LEU 5 -5.252 4.494 3.153 48 HB3 LEU 5 HB1 LEU 5 -6.116 5.544 2.064 49 HG LEU 5 HG LEU 5 -8.187 4.107 2.638 50 HD11 LEU 5 HD11 LEU 5 -8.187 3.060 4.832 51 HD12 LEU 5 HD12 LEU 5 -6.454 3.343 4.972 52 HD13 LEU 5 HD13 LEU 5 -7.072 2.255 3.728 53 HD21 LEU 5 HD21 LEU 5 -7.888 6.411 3.349 54 HD22 LEU 5 HD22 LEU 5 -6.936 5.867 4.733 55 HD23 LEU 5 HD23 LEU 5 -8.644 5.448 4.617 56 H LYS 6 HN LYS 6 -7.302 1.542 1.486 57 HA LYS 6 HA LYS 6 -5.531 -0.109 3.031 58 HB2 LYS 6 HB2 LYS 6 -7.968 -0.288 3.355 59 HB3 LYS 6 HB1 LYS 6 -8.173 -0.759 1.675 60 HG2 LYS 6 HG2 LYS 6 -6.877 -2.818 2.109 61 HG3 LYS 6 HG1 LYS 6 -6.731 -2.353 3.801 62 HD2 LYS 6 HD2 LYS 6 -9.361 -2.810 2.378 63 HD3 LYS 6 HD1 LYS 6 -8.535 -4.028 3.341 64 HE2 LYS 6 HE2 LYS 6 -9.512 -1.354 4.368 65 HE3 LYS 6 HE1 LYS 6 -10.342 -2.890 4.580 66 HZ1 LYS 6 HZ1 LYS 6 -8.435 -3.699 5.863 67 HZ2 LYS 6 HZ2 LYS 6 -9.062 -2.287 6.531 68 HZ3 LYS 6 HZ3 LYS 6 -7.648 -2.222 5.651 69 H LEU 7 HN LEU 7 -6.715 0.076 -0.257 70 HA LEU 7 HA LEU 7 -5.410 -2.205 -1.255 71 HB2 LEU 7 HB2 LEU 7 -6.218 0.318 -2.697 72 HB3 LEU 7 HB1 LEU 7 -5.757 -1.186 -3.468 73 HG LEU 7 HG LEU 7 -8.181 -0.801 -1.708 74 HD11 LEU 7 HD11 LEU 7 -7.953 -1.157 -4.686 75 HD12 LEU 7 HD12 LEU 7 -8.383 0.337 -3.854 76 HD13 LEU 7 HD13 LEU 7 -9.453 -1.063 -3.766 77 HD21 LEU 7 HD21 LEU 7 -8.800 -3.052 -2.462 78 HD22 LEU 7 HD22 LEU 7 -7.296 -3.070 -1.554 79 HD23 LEU 7 HD23 LEU 7 -7.265 -3.190 -3.316 80 H ALA 8 HN ALA 8 -4.439 1.216 -1.252 81 HA ALA 8 HA ALA 8 -1.951 0.875 -2.479 82 HB1 ALA 8 HB1 ALA 8 -2.720 2.925 -0.393 83 HB2 ALA 8 HB2 ALA 8 -3.022 3.063 -2.125 84 HB3 ALA 8 HB3 ALA 8 -1.366 3.039 -1.520 85 H LEU 9 HN LEU 9 -2.971 0.497 0.835 86 HA LEU 9 HA LEU 9 -0.403 0.200 1.999 87 HB2 LEU 9 HB2 LEU 9 -2.437 0.744 3.291 88 HB3 LEU 9 HB1 LEU 9 -3.084 -0.835 2.922 89 HG LEU 9 HG LEU 9 -1.259 -1.867 4.229 90 HD11 LEU 9 HD11 LEU 9 0.427 -0.134 4.001 91 HD12 LEU 9 HD12 LEU 9 0.101 -0.475 5.700 92 HD13 LEU 9 HD13 LEU 9 -0.569 0.972 4.950 93 HD21 LEU 9 HD21 LEU 9 -2.896 0.190 5.700 94 HD22 LEU 9 HD22 LEU 9 -2.117 -1.218 6.425 95 HD23 LEU 9 HD23 LEU 9 -3.418 -1.434 5.255 96 H ARG 10 HN ARG 10 -2.549 -1.954 0.301 97 HA ARG 10 HA ARG 10 -1.055 -4.306 1.084 98 HB2 ARG 10 HB2 ARG 10 -3.227 -4.056 -1.005 99 HB3 ARG 10 HB1 ARG 10 -2.537 -5.560 -0.424 100 HG2 ARG 10 HG2 ARG 10 -4.201 -3.607 1.180 101 HG3 ARG 10 HG1 ARG 10 -4.724 -5.171 0.573 102 HD2 ARG 10 HD2 ARG 10 -4.249 -5.357 2.933 103 HD3 ARG 10 HD1 ARG 10 -3.023 -6.255 2.048 104 HE ARG 10 HE ARG 10 -1.924 -3.796 2.395 105 HH11 ARG 10 HH11 ARG 10 -3.399 -5.897 4.798 106 HH12 ARG 10 HH12 ARG 10 -2.179 -5.667 5.964 107 HH21 ARG 10 HH21 ARG 10 -0.256 -3.444 3.985 108 HH22 ARG 10 HH22 ARG 10 -0.371 -4.209 5.502 109 H LEU 11 HN LEU 11 -1.344 -2.268 -1.754 110 HA LEU 11 HA LEU 11 0.505 -3.619 -3.356 111 HB2 LEU 11 HB2 LEU 11 -0.360 -0.765 -3.170 112 HB3 LEU 11 HB1 LEU 11 1.074 -1.126 -4.099 113 HG LEU 11 HG LEU 11 -0.235 -2.554 -5.599 114 HD11 LEU 11 HD11 LEU 11 -2.621 -1.729 -3.966 115 HD12 LEU 11 HD12 LEU 11 -1.934 -3.350 -4.064 116 HD13 LEU 11 HD13 LEU 11 -2.659 -2.612 -5.492 117 HD21 LEU 11 HD21 LEU 11 -1.428 0.179 -5.202 118 HD22 LEU 11 HD22 LEU 11 -1.549 -0.800 -6.663 119 HD23 LEU 11 HD23 LEU 11 0.022 -0.207 -6.127 120 H ALA 12 HN ALA 12 1.011 -1.067 -0.966 121 HA ALA 12 HA ALA 12 3.800 -0.932 -1.154 122 HB1 ALA 12 HB1 ALA 12 3.723 0.243 0.976 123 HB2 ALA 12 HB2 ALA 12 2.074 -0.323 1.245 124 HB3 ALA 12 HB3 ALA 12 2.417 0.793 -0.077 125 H ALA 13 HN ALA 13 1.725 -3.089 0.606 126 HA ALA 13 HA ALA 13 3.765 -4.150 2.295 127 HB1 ALA 13 HB1 ALA 13 1.392 -4.286 2.906 128 HB2 ALA 13 HB2 ALA 13 2.138 -5.884 2.852 129 HB3 ALA 13 HB3 ALA 13 1.106 -5.349 1.528 130 H LYS 14 HN LYS 14 2.480 -4.959 -0.865 131 HA LYS 14 HA LYS 14 3.914 -7.448 -1.022 132 HB2 LYS 14 HB2 LYS 14 2.554 -5.879 -3.218 133 HB3 LYS 14 HB1 LYS 14 3.121 -7.537 -3.336 134 HG2 LYS 14 HG2 LYS 14 0.909 -6.538 -1.546 135 HG3 LYS 14 HG1 LYS 14 0.705 -7.437 -3.046 136 HD2 LYS 14 HD2 LYS 14 1.868 -9.346 -2.054 137 HD3 LYS 14 HD1 LYS 14 2.087 -8.438 -0.559 138 HE2 LYS 14 HE2 LYS 14 -0.320 -8.285 -0.259 139 HE3 LYS 14 HE1 LYS 14 -0.580 -9.137 -1.778 140 HZ1 LYS 14 HZ1 LYS 14 0.451 -11.090 -0.840 141 HZ2 LYS 14 HZ2 LYS 14 -0.804 -10.603 0.146 142 HZ3 LYS 14 HZ3 LYS 14 0.797 -10.283 0.594 143 H ILE 15 HN ILE 15 4.412 -4.131 -2.144 144 HA ILE 15 HA ILE 15 7.188 -4.700 -2.579 145 HB ILE 15 HB ILE 15 6.202 -5.349 -4.761 146 HG12 ILE 15 HG12 ILE 15 7.693 -2.718 -4.936 147 HG13 ILE 15 HG11 ILE 15 8.427 -4.299 -4.708 148 HG21 ILE 15 HG21 ILE 15 4.178 -4.021 -4.721 149 HG22 ILE 15 HG22 ILE 15 5.088 -3.694 -6.198 150 HG23 ILE 15 HG23 ILE 15 5.120 -2.537 -4.869 151 HD11 ILE 15 HD11 ILE 15 6.867 -3.417 -7.118 152 HD12 ILE 15 HD12 ILE 15 7.639 -4.990 -6.901 153 HD13 ILE 15 HD13 ILE 15 8.622 -3.529 -7.003 154 H ALA 16 HN ALA 16 8.424 -2.801 -2.479 155 HA ALA 16 HA ALA 16 7.246 -0.617 -1.144 156 HB1 ALA 16 HB1 ALA 16 9.934 -0.773 -2.509 157 HB2 ALA 16 HB2 ALA 16 9.608 -1.219 -0.837 158 HB3 ALA 16 HB3 ALA 16 9.441 0.460 -1.352 159 HA PRO 17 HA PRO 17 5.694 1.289 -4.852 160 HB2 PRO 17 HB2 PRO 17 4.245 3.208 -3.702 161 HB3 PRO 17 HB1 PRO 17 3.794 1.505 -3.554 162 HG2 PRO 17 HG2 PRO 17 5.178 3.274 -1.580 163 HG3 PRO 17 HG1 PRO 17 3.919 2.059 -1.306 164 HD2 PRO 17 HD2 PRO 17 6.628 1.649 -0.907 165 HD3 PRO 17 HD1 PRO 17 5.433 0.364 -1.172 166 H VAL 18 HN VAL 18 8.258 2.322 -3.293 167 HA VAL 18 HA VAL 18 8.234 5.094 -4.161 168 HB VAL 18 HB VAL 18 10.557 3.508 -3.001 169 HG11 VAL 18 HG11 VAL 18 11.287 5.475 -4.227 170 HG12 VAL 18 HG12 VAL 18 11.535 5.704 -2.496 171 HG13 VAL 18 HG13 VAL 18 10.175 6.485 -3.303 172 HG21 VAL 18 HG21 VAL 18 8.713 3.594 -1.405 173 HG22 VAL 18 HG22 VAL 18 8.612 5.343 -1.593 174 HG23 VAL 18 HG23 VAL 18 10.044 4.617 -0.863 175 H TRP 19 HN TRP 19 10.509 2.399 -4.696 176 HA TRP 19 HA TRP 19 10.231 2.369 -7.475 177 HB2 TRP 19 HB2 TRP 19 11.539 4.531 -7.171 178 HB3 TRP 19 HB1 TRP 19 12.854 3.550 -6.526 179 HD1 TRP 19 HD1 TRP 19 14.431 2.419 -8.258 180 HE1 TRP 19 HE1 TRP 19 14.491 2.313 -10.838 181 HE3 TRP 19 HE3 TRP 19 9.859 4.428 -9.255 182 HZ2 TRP 19 HZ2 TRP 19 12.811 2.984 -12.987 183 HZ3 TRP 19 HZ3 TRP 19 9.155 4.655 -11.597 184 HH2 TRP 19 HH2 TRP 19 10.610 3.942 -13.418 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 -17.584 2.296 -4.781 2 H3 PRO 1 HT2 PRO 1 -16.504 1.224 -5.382 3 HA PRO 1 HA PRO 1 -14.711 2.755 -5.340 4 HB2 PRO 1 HB2 PRO 1 -15.616 4.270 -3.158 5 HB3 PRO 1 HB1 PRO 1 -15.216 4.876 -4.765 6 HG2 PRO 1 HG2 PRO 1 -17.874 4.183 -3.623 7 HG3 PRO 1 HG1 PRO 1 -17.460 5.401 -4.839 8 HD2 PRO 1 HD2 PRO 1 -18.689 3.157 -5.559 9 HD3 PRO 1 HD1 PRO 1 -17.434 3.897 -6.554 10 H MET 2 HN MET 2 -13.680 3.024 -2.967 11 HA MET 2 HA MET 2 -14.589 1.482 -0.860 12 HB2 MET 2 HB2 MET 2 -12.992 -0.395 -0.968 13 HB3 MET 2 HB1 MET 2 -14.033 -0.442 -2.380 14 HG2 MET 2 HG2 MET 2 -12.258 0.511 -3.743 15 HG3 MET 2 HG1 MET 2 -11.224 0.648 -2.324 16 HE1 MET 2 HE1 MET 2 -13.017 -1.801 -4.817 17 HE2 MET 2 HE2 MET 2 -13.646 -2.367 -3.266 18 HE3 MET 2 HE3 MET 2 -12.540 -3.378 -4.193 19 H LYS 3 HN LYS 3 -12.522 1.267 0.669 20 HA LYS 3 HA LYS 3 -11.198 3.769 0.540 21 HB2 LYS 3 HB2 LYS 3 -10.743 1.380 2.314 22 HB3 LYS 3 HB1 LYS 3 -10.015 2.968 2.531 23 HG2 LYS 3 HG2 LYS 3 -12.226 3.946 2.833 24 HG3 LYS 3 HG1 LYS 3 -12.950 2.350 2.637 25 HD2 LYS 3 HD2 LYS 3 -10.948 3.072 4.738 26 HD3 LYS 3 HD1 LYS 3 -12.700 3.095 4.992 27 HE2 LYS 3 HE2 LYS 3 -12.758 0.695 4.418 28 HE3 LYS 3 HE1 LYS 3 -11.002 0.704 4.264 29 HZ1 LYS 3 HZ1 LYS 3 -11.689 -0.118 6.421 30 HZ2 LYS 3 HZ2 LYS 3 -12.550 1.277 6.721 31 HZ3 LYS 3 HZ3 LYS 3 -10.865 1.348 6.602 32 H LYS 4 HN LYS 4 -9.805 4.038 -1.001 33 HA LYS 4 HA LYS 4 -8.300 1.965 -2.188 34 HB2 LYS 4 HB2 LYS 4 -8.009 4.950 -2.420 35 HB3 LYS 4 HB1 LYS 4 -7.227 3.778 -3.472 36 HG2 LYS 4 HG2 LYS 4 -9.418 2.986 -4.229 37 HG3 LYS 4 HG1 LYS 4 -10.204 4.164 -3.182 38 HD2 LYS 4 HD2 LYS 4 -8.337 4.806 -5.462 39 HD3 LYS 4 HD1 LYS 4 -10.093 4.924 -5.521 40 HE2 LYS 4 HE2 LYS 4 -10.015 6.625 -3.736 41 HE3 LYS 4 HE1 LYS 4 -8.255 6.510 -3.719 42 HZ1 LYS 4 HZ1 LYS 4 -8.243 7.222 -6.024 43 HZ2 LYS 4 HZ2 LYS 4 -8.959 8.373 -5.034 44 HZ3 LYS 4 HZ3 LYS 4 -9.916 7.404 -6.009 45 H LEU 5 HN LEU 5 -7.789 3.895 0.534 46 HA LEU 5 HA LEU 5 -4.961 3.891 0.616 47 HB2 LEU 5 HB2 LEU 5 -6.981 4.077 2.867 48 HB3 LEU 5 HB1 LEU 5 -5.260 4.242 3.112 49 HG LEU 5 HG LEU 5 -5.315 6.266 1.607 50 HD11 LEU 5 HD11 LEU 5 -7.445 7.389 1.214 51 HD12 LEU 5 HD12 LEU 5 -8.299 5.980 1.850 52 HD13 LEU 5 HD13 LEU 5 -7.350 5.841 0.373 53 HD21 LEU 5 HD21 LEU 5 -7.006 6.346 4.096 54 HD22 LEU 5 HD22 LEU 5 -6.314 7.751 3.290 55 HD23 LEU 5 HD23 LEU 5 -5.253 6.534 3.998 56 H LYS 6 HN LYS 6 -7.390 1.606 1.589 57 HA LYS 6 HA LYS 6 -5.801 -0.278 2.945 58 HB2 LYS 6 HB2 LYS 6 -8.218 -0.347 3.064 59 HB3 LYS 6 HB1 LYS 6 -8.343 -0.535 1.328 60 HG2 LYS 6 HG2 LYS 6 -7.394 -2.774 1.498 61 HG3 LYS 6 HG1 LYS 6 -7.217 -2.569 3.244 62 HD2 LYS 6 HD2 LYS 6 -9.618 -2.324 3.490 63 HD3 LYS 6 HD1 LYS 6 -9.830 -2.419 1.746 64 HE2 LYS 6 HE2 LYS 6 -8.653 -4.618 3.434 65 HE3 LYS 6 HE1 LYS 6 -10.347 -4.530 2.974 66 HZ1 LYS 6 HZ1 LYS 6 -9.685 -4.638 0.649 67 HZ2 LYS 6 HZ2 LYS 6 -9.105 -5.966 1.478 68 HZ3 LYS 6 HZ3 LYS 6 -8.058 -4.705 1.078 69 H LEU 7 HN LEU 7 -6.584 0.231 -0.410 70 HA LEU 7 HA LEU 7 -5.322 -2.087 -1.480 71 HB2 LEU 7 HB2 LEU 7 -5.943 0.545 -2.814 72 HB3 LEU 7 HB1 LEU 7 -5.552 -0.952 -3.633 73 HG LEU 7 HG LEU 7 -8.023 -0.469 -1.968 74 HD11 LEU 7 HD11 LEU 7 -7.655 -0.652 -4.945 75 HD12 LEU 7 HD12 LEU 7 -8.018 0.820 -4.044 76 HD13 LEU 7 HD13 LEU 7 -9.197 -0.492 -4.108 77 HD21 LEU 7 HD21 LEU 7 -7.196 -2.803 -3.689 78 HD22 LEU 7 HD22 LEU 7 -8.778 -2.594 -2.942 79 HD23 LEU 7 HD23 LEU 7 -7.347 -2.800 -1.931 80 H ALA 8 HN ALA 8 -4.400 1.278 -1.040 81 HA ALA 8 HA ALA 8 -1.906 1.200 -2.305 82 HB1 ALA 8 HB1 ALA 8 -1.410 3.249 -1.077 83 HB2 ALA 8 HB2 ALA 8 -2.762 2.938 0.010 84 HB3 ALA 8 HB3 ALA 8 -3.063 3.286 -1.691 85 H LEU 9 HN LEU 9 -2.812 0.685 1.067 86 HA LEU 9 HA LEU 9 -0.239 0.264 2.076 87 HB2 LEU 9 HB2 LEU 9 -2.423 0.682 3.342 88 HB3 LEU 9 HB1 LEU 9 -2.787 -1.005 3.095 89 HG LEU 9 HG LEU 9 -0.398 -0.002 4.670 90 HD11 LEU 9 HD11 LEU 9 -3.079 -0.957 5.639 91 HD12 LEU 9 HD12 LEU 9 -2.458 0.692 5.724 92 HD13 LEU 9 HD13 LEU 9 -1.684 -0.590 6.652 93 HD21 LEU 9 HD21 LEU 9 -0.116 -2.293 3.840 94 HD22 LEU 9 HD22 LEU 9 -1.678 -2.737 4.518 95 HD23 LEU 9 HD23 LEU 9 -0.350 -2.282 5.590 96 H ARG 10 HN ARG 10 -2.680 -2.081 0.844 97 HA ARG 10 HA ARG 10 -1.215 -4.346 1.280 98 HB2 ARG 10 HB2 ARG 10 -3.633 -4.223 0.796 99 HB3 ARG 10 HB1 ARG 10 -3.264 -3.785 -0.864 100 HG2 ARG 10 HG2 ARG 10 -3.863 -6.143 -0.616 101 HG3 ARG 10 HG1 ARG 10 -2.220 -5.923 -1.228 102 HD2 ARG 10 HD2 ARG 10 -2.330 -7.647 0.452 103 HD3 ARG 10 HD1 ARG 10 -1.304 -6.328 0.980 104 HE ARG 10 HE ARG 10 -4.084 -6.362 1.864 105 HH11 ARG 10 HH11 ARG 10 -0.687 -6.954 2.687 106 HH12 ARG 10 HH12 ARG 10 -0.934 -6.938 4.368 107 HH21 ARG 10 HH21 ARG 10 -4.430 -6.409 4.200 108 HH22 ARG 10 HH22 ARG 10 -3.113 -6.669 5.241 109 H LEU 11 HN LEU 11 -1.280 -2.137 -1.467 110 HA LEU 11 HA LEU 11 0.297 -3.642 -3.230 111 HB2 LEU 11 HB2 LEU 11 -1.032 -1.676 -3.898 112 HB3 LEU 11 HB1 LEU 11 0.051 -0.641 -2.993 113 HG LEU 11 HG LEU 11 1.894 -1.284 -4.525 114 HD11 LEU 11 HD11 LEU 11 -0.288 -2.701 -6.039 115 HD12 LEU 11 HD12 LEU 11 1.101 -3.450 -5.248 116 HD13 LEU 11 HD13 LEU 11 1.338 -2.394 -6.637 117 HD21 LEU 11 HD21 LEU 11 0.627 0.764 -4.907 118 HD22 LEU 11 HD22 LEU 11 -0.554 -0.133 -5.861 119 HD23 LEU 11 HD23 LEU 11 1.104 0.029 -6.437 120 H ALA 12 HN ALA 12 1.167 -1.129 -0.890 121 HA ALA 12 HA ALA 12 3.954 -1.268 -1.411 122 HB1 ALA 12 HB1 ALA 12 4.194 0.146 0.567 123 HB2 ALA 12 HB2 ALA 12 2.492 -0.128 0.965 124 HB3 ALA 12 HB3 ALA 12 2.927 0.735 -0.505 125 H ALA 13 HN ALA 13 1.880 -3.196 0.417 126 HA ALA 13 HA ALA 13 3.870 -4.235 2.199 127 HB1 ALA 13 HB1 ALA 13 2.166 -5.844 2.866 128 HB2 ALA 13 HB2 ALA 13 1.145 -5.336 1.521 129 HB3 ALA 13 HB3 ALA 13 1.502 -4.211 2.832 130 H LYS 14 HN LYS 14 2.675 -5.034 -0.978 131 HA LYS 14 HA LYS 14 4.138 -7.556 -0.875 132 HB2 LYS 14 HB2 LYS 14 3.173 -8.055 -3.083 133 HB3 LYS 14 HB1 LYS 14 1.940 -7.724 -1.881 134 HG2 LYS 14 HG2 LYS 14 1.649 -5.473 -2.787 135 HG3 LYS 14 HG1 LYS 14 2.910 -5.792 -3.976 136 HD2 LYS 14 HD2 LYS 14 0.311 -7.302 -3.739 137 HD3 LYS 14 HD1 LYS 14 0.639 -6.024 -4.909 138 HE2 LYS 14 HE2 LYS 14 2.477 -7.389 -5.838 139 HE3 LYS 14 HE1 LYS 14 2.082 -8.667 -4.694 140 HZ1 LYS 14 HZ1 LYS 14 0.301 -7.625 -6.813 141 HZ2 LYS 14 HZ2 LYS 14 -0.120 -8.786 -5.671 142 HZ3 LYS 14 HZ3 LYS 14 1.081 -9.128 -6.804 143 H ILE 15 HN ILE 15 4.255 -4.438 -2.490 144 HA ILE 15 HA ILE 15 7.011 -5.026 -3.168 145 HB ILE 15 HB ILE 15 6.778 -3.689 -5.273 146 HG12 ILE 15 HG12 ILE 15 3.790 -3.996 -4.840 147 HG13 ILE 15 HG11 ILE 15 4.690 -2.494 -4.687 148 HG21 ILE 15 HG21 ILE 15 6.866 -6.087 -5.429 149 HG22 ILE 15 HG22 ILE 15 5.756 -5.453 -6.644 150 HG23 ILE 15 HG23 ILE 15 5.125 -6.200 -5.177 151 HD11 ILE 15 HD11 ILE 15 3.517 -2.603 -6.806 152 HD12 ILE 15 HD12 ILE 15 4.348 -4.108 -7.203 153 HD13 ILE 15 HD13 ILE 15 5.263 -2.607 -7.063 154 H ALA 16 HN ALA 16 8.337 -3.282 -2.914 155 HA ALA 16 HA ALA 16 7.384 -1.422 -0.948 156 HB1 ALA 16 HB1 ALA 16 10.063 -1.642 -2.312 157 HB2 ALA 16 HB2 ALA 16 9.607 -2.391 -0.779 158 HB3 ALA 16 HB3 ALA 16 9.706 -0.634 -0.907 159 HA PRO 17 HA PRO 17 6.506 2.032 -3.579 160 HB2 PRO 17 HB2 PRO 17 7.756 4.056 -2.106 161 HB3 PRO 17 HB1 PRO 17 6.097 3.503 -1.870 162 HG2 PRO 17 HG2 PRO 17 8.563 2.795 -0.358 163 HG3 PRO 17 HG1 PRO 17 6.903 2.995 0.228 164 HD2 PRO 17 HD2 PRO 17 8.012 0.569 -0.114 165 HD3 PRO 17 HD1 PRO 17 6.286 0.864 -0.409 166 H VAL 18 HN VAL 18 7.708 1.701 -5.329 167 HA VAL 18 HA VAL 18 10.544 1.712 -5.303 168 HB VAL 18 HB VAL 18 10.410 1.406 -7.747 169 HG11 VAL 18 HG11 VAL 18 9.241 -0.768 -7.714 170 HG12 VAL 18 HG12 VAL 18 8.535 -0.343 -6.155 171 HG13 VAL 18 HG13 VAL 18 10.280 -0.543 -6.307 172 HG21 VAL 18 HG21 VAL 18 8.452 2.783 -8.217 173 HG22 VAL 18 HG22 VAL 18 7.426 1.652 -7.345 174 HG23 VAL 18 HG23 VAL 18 8.223 1.150 -8.840 175 H TRP 19 HN TRP 19 11.908 3.084 -6.456 176 HA TRP 19 HA TRP 19 10.870 5.751 -6.971 177 HB2 TRP 19 HB2 TRP 19 11.774 5.616 -4.642 178 HB3 TRP 19 HB1 TRP 19 13.311 5.088 -5.300 179 HD1 TRP 19 HD1 TRP 19 14.708 6.996 -6.712 180 HE1 TRP 19 HE1 TRP 19 14.738 9.559 -6.424 181 HE3 TRP 19 HE3 TRP 19 10.401 7.558 -4.043 182 HZ2 TRP 19 HZ2 TRP 19 13.146 11.546 -5.215 183 HZ3 TRP 19 HZ3 TRP 19 9.723 9.821 -3.357 184 HH2 TRP 19 HH2 TRP 19 11.069 11.770 -3.933 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -16.453 0.249 -4.373 2 H3 PRO 1 HT2 PRO 1 -14.756 0.018 -4.008 3 HA PRO 1 HA PRO 1 -16.984 0.266 -2.106 4 HB2 PRO 1 HB2 PRO 1 -15.585 -2.322 -2.331 5 HB3 PRO 1 HB1 PRO 1 -17.310 -1.985 -2.122 6 HG2 PRO 1 HG2 PRO 1 -16.343 -2.769 -4.501 7 HG3 PRO 1 HG1 PRO 1 -17.659 -1.589 -4.376 8 HD2 PRO 1 HD2 PRO 1 -14.777 -1.202 -4.951 9 HD3 PRO 1 HD1 PRO 1 -16.119 -0.385 -5.702 10 H MET 2 HN MET 2 -13.816 -1.472 -2.174 11 HA MET 2 HA MET 2 -13.279 -0.475 0.454 12 HB2 MET 2 HB2 MET 2 -11.619 -2.158 -1.428 13 HB3 MET 2 HB1 MET 2 -11.145 -1.745 0.212 14 HG2 MET 2 HG2 MET 2 -13.107 -2.921 1.072 15 HG3 MET 2 HG1 MET 2 -13.567 -3.341 -0.575 16 HE1 MET 2 HE1 MET 2 -10.661 -5.766 -1.622 17 HE2 MET 2 HE2 MET 2 -10.754 -4.032 -1.918 18 HE3 MET 2 HE3 MET 2 -12.189 -5.038 -2.111 19 H LYS 3 HN LYS 3 -11.996 1.114 0.985 20 HA LYS 3 HA LYS 3 -11.414 3.127 -0.849 21 HB2 LYS 3 HB2 LYS 3 -10.203 4.212 1.003 22 HB3 LYS 3 HB1 LYS 3 -11.780 3.609 1.493 23 HG2 LYS 3 HG2 LYS 3 -10.667 1.628 2.482 24 HG3 LYS 3 HG1 LYS 3 -9.113 2.332 2.056 25 HD2 LYS 3 HD2 LYS 3 -9.611 2.763 4.386 26 HD3 LYS 3 HD1 LYS 3 -9.626 4.273 3.479 27 HE2 LYS 3 HE2 LYS 3 -12.028 4.281 3.423 28 HE3 LYS 3 HE1 LYS 3 -12.099 2.682 4.157 29 HZ1 LYS 3 HZ1 LYS 3 -11.021 5.123 5.462 30 HZ2 LYS 3 HZ2 LYS 3 -11.159 3.600 6.162 31 HZ3 LYS 3 HZ3 LYS 3 -12.544 4.453 5.743 32 H LYS 4 HN LYS 4 -9.601 3.810 -1.800 33 HA LYS 4 HA LYS 4 -7.766 1.861 -2.665 34 HB2 LYS 4 HB2 LYS 4 -7.583 4.861 -2.897 35 HB3 LYS 4 HB1 LYS 4 -6.635 3.708 -3.821 36 HG2 LYS 4 HG2 LYS 4 -8.704 2.823 -4.805 37 HG3 LYS 4 HG1 LYS 4 -9.621 4.034 -3.915 38 HD2 LYS 4 HD2 LYS 4 -8.385 5.805 -5.081 39 HD3 LYS 4 HD1 LYS 4 -7.506 4.574 -5.992 40 HE2 LYS 4 HE2 LYS 4 -9.639 3.738 -6.875 41 HE3 LYS 4 HE1 LYS 4 -10.484 5.019 -6.014 42 HZ1 LYS 4 HZ1 LYS 4 -8.442 5.447 -8.124 43 HZ2 LYS 4 HZ2 LYS 4 -9.335 6.657 -7.356 44 HZ3 LYS 4 HZ3 LYS 4 -10.103 5.542 -8.348 45 H LEU 5 HN LEU 5 -7.739 4.072 -0.055 46 HA LEU 5 HA LEU 5 -4.976 4.153 0.515 47 HB2 LEU 5 HB2 LEU 5 -7.298 4.305 2.422 48 HB3 LEU 5 HB1 LEU 5 -5.646 4.751 2.792 49 HG LEU 5 HG LEU 5 -7.453 6.132 0.816 50 HD11 LEU 5 HD11 LEU 5 -8.065 6.517 3.134 51 HD12 LEU 5 HD12 LEU 5 -7.358 7.967 2.415 52 HD13 LEU 5 HD13 LEU 5 -6.402 6.969 3.508 53 HD21 LEU 5 HD21 LEU 5 -5.125 6.215 0.088 54 HD22 LEU 5 HD22 LEU 5 -4.639 6.774 1.689 55 HD23 LEU 5 HD23 LEU 5 -5.659 7.789 0.673 56 H LYS 6 HN LYS 6 -7.454 1.800 1.206 57 HA LYS 6 HA LYS 6 -5.895 0.313 3.105 58 HB2 LYS 6 HB2 LYS 6 -8.383 0.386 3.142 59 HB3 LYS 6 HB1 LYS 6 -8.413 -0.421 1.586 60 HG2 LYS 6 HG2 LYS 6 -7.425 -2.410 2.590 61 HG3 LYS 6 HG1 LYS 6 -7.349 -1.590 4.153 62 HD2 LYS 6 HD2 LYS 6 -9.799 -1.336 4.116 63 HD3 LYS 6 HD1 LYS 6 -9.856 -2.197 2.579 64 HE2 LYS 6 HE2 LYS 6 -8.907 -4.178 3.661 65 HE3 LYS 6 HE1 LYS 6 -8.845 -3.313 5.193 66 HZ1 LYS 6 HZ1 LYS 6 -11.248 -3.125 5.152 67 HZ2 LYS 6 HZ2 LYS 6 -10.809 -4.749 5.018 68 HZ3 LYS 6 HZ3 LYS 6 -11.329 -3.917 3.672 69 H LEU 7 HN LEU 7 -6.729 0.188 -0.279 70 HA LEU 7 HA LEU 7 -5.462 -2.269 -0.908 71 HB2 LEU 7 HB2 LEU 7 -6.062 0.089 -2.698 72 HB3 LEU 7 HB1 LEU 7 -5.667 -1.528 -3.241 73 HG LEU 7 HG LEU 7 -8.151 -0.746 -1.710 74 HD11 LEU 7 HD11 LEU 7 -9.323 -1.233 -3.794 75 HD12 LEU 7 HD12 LEU 7 -7.779 -1.512 -4.596 76 HD13 LEU 7 HD13 LEU 7 -8.178 0.092 -3.985 77 HD21 LEU 7 HD21 LEU 7 -7.473 -3.024 -1.177 78 HD22 LEU 7 HD22 LEU 7 -7.318 -3.398 -2.893 79 HD23 LEU 7 HD23 LEU 7 -8.904 -3.037 -2.210 80 H ALA 8 HN ALA 8 -4.429 1.075 -0.879 81 HA ALA 8 HA ALA 8 -1.904 0.797 -2.037 82 HB1 ALA 8 HB1 ALA 8 -2.772 2.755 0.085 83 HB2 ALA 8 HB2 ALA 8 -3.019 2.947 -1.650 84 HB3 ALA 8 HB3 ALA 8 -1.384 2.929 -0.990 85 H LEU 9 HN LEU 9 -3.039 0.111 1.175 86 HA LEU 9 HA LEU 9 -0.484 -0.117 2.436 87 HB2 LEU 9 HB2 LEU 9 -3.130 -1.374 3.161 88 HB3 LEU 9 HB1 LEU 9 -1.716 -1.343 4.193 89 HG LEU 9 HG LEU 9 -3.242 1.090 3.274 90 HD11 LEU 9 HD11 LEU 9 -3.188 -0.295 5.945 91 HD12 LEU 9 HD12 LEU 9 -4.539 -0.284 4.813 92 HD13 LEU 9 HD13 LEU 9 -4.016 1.218 5.578 93 HD21 LEU 9 HD21 LEU 9 -0.902 1.588 3.671 94 HD22 LEU 9 HD22 LEU 9 -0.967 0.752 5.218 95 HD23 LEU 9 HD23 LEU 9 -1.883 2.241 4.987 96 H ARG 10 HN ARG 10 -2.561 -2.208 0.635 97 HA ARG 10 HA ARG 10 -1.149 -4.642 1.151 98 HB2 ARG 10 HB2 ARG 10 -3.071 -3.889 -1.065 99 HB3 ARG 10 HB1 ARG 10 -2.482 -5.513 -0.749 100 HG2 ARG 10 HG2 ARG 10 -3.615 -5.569 1.368 101 HG3 ARG 10 HG1 ARG 10 -4.073 -3.874 1.198 102 HD2 ARG 10 HD2 ARG 10 -5.930 -5.377 0.680 103 HD3 ARG 10 HD1 ARG 10 -5.463 -4.415 -0.717 104 HE ARG 10 HE ARG 10 -4.082 -6.675 -1.102 105 HH11 ARG 10 HH11 ARG 10 -7.499 -6.141 -0.337 106 HH12 ARG 10 HH12 ARG 10 -8.042 -7.538 -1.144 107 HH21 ARG 10 HH21 ARG 10 -4.859 -8.583 -2.252 108 HH22 ARG 10 HH22 ARG 10 -6.524 -8.939 -2.251 109 H LEU 11 HN LEU 11 -1.336 -2.312 -1.446 110 HA LEU 11 HA LEU 11 0.454 -3.426 -3.245 111 HB2 LEU 11 HB2 LEU 11 -1.087 -1.557 -3.714 112 HB3 LEU 11 HB1 LEU 11 -0.097 -0.509 -2.721 113 HG LEU 11 HG LEU 11 1.772 -0.806 -4.324 114 HD11 LEU 11 HD11 LEU 11 1.156 -2.978 -5.230 115 HD12 LEU 11 HD12 LEU 11 1.310 -1.782 -6.515 116 HD13 LEU 11 HD13 LEU 11 -0.288 -2.275 -5.958 117 HD21 LEU 11 HD21 LEU 11 -0.814 0.176 -5.510 118 HD22 LEU 11 HD22 LEU 11 0.801 0.579 -6.089 119 HD23 LEU 11 HD23 LEU 11 0.277 1.112 -4.490 120 H ALA 12 HN ALA 12 1.062 -1.063 -0.655 121 HA ALA 12 HA ALA 12 3.834 -0.804 -1.162 122 HB1 ALA 12 HB1 ALA 12 3.960 0.304 0.998 123 HB2 ALA 12 HB2 ALA 12 2.321 -0.241 1.377 124 HB3 ALA 12 HB3 ALA 12 2.600 0.883 0.045 125 H ALA 13 HN ALA 13 2.077 -3.269 0.385 126 HA ALA 13 HA ALA 13 4.298 -4.211 1.965 127 HB1 ALA 13 HB1 ALA 13 1.676 -5.548 1.295 128 HB2 ALA 13 HB2 ALA 13 2.001 -4.581 2.734 129 HB3 ALA 13 HB3 ALA 13 2.849 -6.110 2.488 130 H LYS 14 HN LYS 14 2.983 -4.663 -1.216 131 HA LYS 14 HA LYS 14 4.495 -7.076 -1.753 132 HB2 LYS 14 HB2 LYS 14 2.742 -5.303 -3.414 133 HB3 LYS 14 HB1 LYS 14 3.437 -6.832 -3.939 134 HG2 LYS 14 HG2 LYS 14 2.120 -8.065 -2.459 135 HG3 LYS 14 HG1 LYS 14 1.688 -6.635 -1.524 136 HD2 LYS 14 HD2 LYS 14 -0.112 -7.498 -3.012 137 HD3 LYS 14 HD1 LYS 14 0.309 -5.805 -3.274 138 HE2 LYS 14 HE2 LYS 14 0.001 -6.924 -5.358 139 HE3 LYS 14 HE1 LYS 14 1.685 -6.468 -5.172 140 HZ1 LYS 14 HZ1 LYS 14 0.586 -9.209 -4.792 141 HZ2 LYS 14 HZ2 LYS 14 2.175 -8.781 -4.497 142 HZ3 LYS 14 HZ3 LYS 14 1.560 -8.681 -6.047 143 H ILE 15 HN ILE 15 4.481 -3.642 -2.550 144 HA ILE 15 HA ILE 15 7.150 -3.934 -3.608 145 HB ILE 15 HB ILE 15 5.808 -3.922 -5.607 146 HG12 ILE 15 HG12 ILE 15 6.973 -1.158 -5.190 147 HG13 ILE 15 HG11 ILE 15 7.853 -2.583 -5.728 148 HG21 ILE 15 HG21 ILE 15 3.723 -3.077 -4.771 149 HG22 ILE 15 HG22 ILE 15 4.217 -2.151 -6.189 150 HG23 ILE 15 HG23 ILE 15 4.417 -1.469 -4.576 151 HD11 ILE 15 HD11 ILE 15 5.639 -1.195 -7.226 152 HD12 ILE 15 HD12 ILE 15 6.496 -2.636 -7.767 153 HD13 ILE 15 HD13 ILE 15 7.363 -1.111 -7.590 154 H ALA 16 HN ALA 16 8.439 -2.594 -2.702 155 HA ALA 16 HA ALA 16 7.511 -0.673 -0.825 156 HB1 ALA 16 HB1 ALA 16 10.300 -1.187 -1.858 157 HB2 ALA 16 HB2 ALA 16 9.561 -1.958 -0.457 158 HB3 ALA 16 HB3 ALA 16 9.886 -0.226 -0.438 159 HA PRO 17 HA PRO 17 7.070 2.507 -3.869 160 HB2 PRO 17 HB2 PRO 17 6.438 4.535 -2.162 161 HB3 PRO 17 HB1 PRO 17 5.284 3.300 -2.674 162 HG2 PRO 17 HG2 PRO 17 6.823 3.519 -0.130 163 HG3 PRO 17 HG1 PRO 17 5.165 2.953 -0.400 164 HD2 PRO 17 HD2 PRO 17 7.292 1.299 0.007 165 HD3 PRO 17 HD1 PRO 17 5.841 0.835 -0.904 166 H VAL 18 HN VAL 18 9.159 2.642 -4.530 167 HA VAL 18 HA VAL 18 10.833 4.599 -3.163 168 HB VAL 18 HB VAL 18 12.684 3.839 -4.638 169 HG11 VAL 18 HG11 VAL 18 11.319 1.618 -3.139 170 HG12 VAL 18 HG12 VAL 18 12.429 2.812 -2.468 171 HG13 VAL 18 HG13 VAL 18 13.009 1.628 -3.638 172 HG21 VAL 18 HG21 VAL 18 11.403 3.108 -6.576 173 HG22 VAL 18 HG22 VAL 18 10.693 1.795 -5.635 174 HG23 VAL 18 HG23 VAL 18 12.421 1.792 -5.990 175 H TRP 19 HN TRP 19 11.892 6.223 -4.538 176 HA TRP 19 HA TRP 19 9.863 7.270 -6.346 177 HB2 TRP 19 HB2 TRP 19 10.733 8.618 -4.408 178 HB3 TRP 19 HB1 TRP 19 12.293 8.652 -5.217 179 HD1 TRP 19 HD1 TRP 19 12.461 10.180 -7.462 180 HE1 TRP 19 HE1 TRP 19 11.073 12.206 -8.225 181 HE3 TRP 19 HE3 TRP 19 8.417 9.578 -4.410 182 HZ2 TRP 19 HZ2 TRP 19 8.586 13.385 -7.616 183 HZ3 TRP 19 HZ3 TRP 19 6.578 11.204 -4.558 184 HH2 TRP 19 HH2 TRP 19 6.668 13.066 -6.131 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 -13.929 -1.352 -6.171 2 H3 PRO 1 HT2 PRO 1 -12.867 -1.688 -7.352 3 HA PRO 1 HA PRO 1 -11.998 -2.291 -5.230 4 HB2 PRO 1 HB2 PRO 1 -10.225 -0.200 -5.155 5 HB3 PRO 1 HB1 PRO 1 -10.083 -1.594 -6.233 6 HG2 PRO 1 HG2 PRO 1 -11.156 1.133 -6.799 7 HG3 PRO 1 HG1 PRO 1 -10.202 0.063 -7.841 8 HD2 PRO 1 HD2 PRO 1 -12.820 0.366 -8.232 9 HD3 PRO 1 HD1 PRO 1 -12.000 -1.162 -8.479 10 H MET 2 HN MET 2 -12.572 -2.114 -3.154 11 HA MET 2 HA MET 2 -13.613 0.429 -2.225 12 HB2 MET 2 HB2 MET 2 -13.607 -2.310 -0.957 13 HB3 MET 2 HB1 MET 2 -14.227 -0.869 -0.169 14 HG2 MET 2 HG2 MET 2 -15.270 -2.054 -2.730 15 HG3 MET 2 HG1 MET 2 -15.999 -2.240 -1.136 16 HE1 MET 2 HE1 MET 2 -18.315 -1.409 -2.173 17 HE2 MET 2 HE2 MET 2 -17.545 -1.198 -3.746 18 HE3 MET 2 HE3 MET 2 -18.502 0.110 -3.050 19 H LYS 3 HN LYS 3 -12.502 1.747 -1.100 20 HA LYS 3 HA LYS 3 -10.971 2.742 0.114 21 HB2 LYS 3 HB2 LYS 3 -10.458 0.052 1.405 22 HB3 LYS 3 HB1 LYS 3 -9.972 1.616 2.050 23 HG2 LYS 3 HG2 LYS 3 -12.785 0.605 1.674 24 HG3 LYS 3 HG1 LYS 3 -11.944 0.866 3.204 25 HD2 LYS 3 HD2 LYS 3 -11.910 3.220 2.874 26 HD3 LYS 3 HD1 LYS 3 -12.461 3.067 1.213 27 HE2 LYS 3 HE2 LYS 3 -14.565 2.068 2.092 28 HE3 LYS 3 HE1 LYS 3 -14.019 2.514 3.712 29 HZ1 LYS 3 HZ1 LYS 3 -14.372 4.369 1.447 30 HZ2 LYS 3 HZ2 LYS 3 -13.923 4.817 3.005 31 HZ3 LYS 3 HZ3 LYS 3 -15.467 4.191 2.715 32 H LYS 4 HN LYS 4 -9.811 3.389 -1.445 33 HA LYS 4 HA LYS 4 -7.785 1.952 -2.773 34 HB2 LYS 4 HB2 LYS 4 -8.105 4.929 -2.440 35 HB3 LYS 4 HB1 LYS 4 -7.011 4.147 -3.567 36 HG2 LYS 4 HG2 LYS 4 -8.901 3.168 -4.742 37 HG3 LYS 4 HG1 LYS 4 -10.013 3.933 -3.604 38 HD2 LYS 4 HD2 LYS 4 -9.149 6.133 -4.266 39 HD3 LYS 4 HD1 LYS 4 -8.077 5.349 -5.419 40 HE2 LYS 4 HE2 LYS 4 -10.029 4.449 -6.607 41 HE3 LYS 4 HE1 LYS 4 -11.086 5.272 -5.459 42 HZ1 LYS 4 HZ1 LYS 4 -10.817 6.552 -7.492 43 HZ2 LYS 4 HZ2 LYS 4 -9.150 6.608 -7.263 44 HZ3 LYS 4 HZ3 LYS 4 -10.163 7.384 -6.181 45 H LEU 5 HN LEU 5 -7.765 3.778 0.199 46 HA LEU 5 HA LEU 5 -4.905 3.947 0.406 47 HB2 LEU 5 HB2 LEU 5 -7.028 4.243 2.535 48 HB3 LEU 5 HB1 LEU 5 -5.332 4.602 2.759 49 HG LEU 5 HG LEU 5 -7.200 6.067 0.888 50 HD11 LEU 5 HD11 LEU 5 -6.952 7.922 2.451 51 HD12 LEU 5 HD12 LEU 5 -5.967 6.911 3.503 52 HD13 LEU 5 HD13 LEU 5 -7.667 6.516 3.242 53 HD21 LEU 5 HD21 LEU 5 -4.922 6.033 0.037 54 HD22 LEU 5 HD22 LEU 5 -4.315 6.576 1.602 55 HD23 LEU 5 HD23 LEU 5 -5.333 7.639 0.634 56 H LYS 6 HN LYS 6 -7.370 1.764 1.431 57 HA LYS 6 HA LYS 6 -5.771 0.164 3.154 58 HB2 LYS 6 HB2 LYS 6 -8.203 0.187 3.309 59 HB3 LYS 6 HB1 LYS 6 -8.335 -0.387 1.658 60 HG2 LYS 6 HG2 LYS 6 -7.396 -2.526 2.307 61 HG3 LYS 6 HG1 LYS 6 -7.183 -1.937 3.960 62 HD2 LYS 6 HD2 LYS 6 -9.551 -1.678 4.234 63 HD3 LYS 6 HD1 LYS 6 -9.845 -2.077 2.546 64 HE2 LYS 6 HE2 LYS 6 -8.665 -3.918 4.619 65 HE3 LYS 6 HE1 LYS 6 -10.333 -3.964 4.049 66 HZ1 LYS 6 HZ1 LYS 6 -9.436 -4.407 1.805 67 HZ2 LYS 6 HZ2 LYS 6 -9.100 -5.616 2.906 68 HZ3 LYS 6 HZ3 LYS 6 -7.882 -4.541 2.469 69 H LEU 7 HN LEU 7 -6.737 -0.005 -0.227 70 HA LEU 7 HA LEU 7 -5.267 -2.358 -0.790 71 HB2 LEU 7 HB2 LEU 7 -6.287 -0.208 -2.634 72 HB3 LEU 7 HB1 LEU 7 -5.609 -1.735 -3.160 73 HG LEU 7 HG LEU 7 -8.135 -1.405 -1.540 74 HD11 LEU 7 HD11 LEU 7 -7.713 -2.183 -4.411 75 HD12 LEU 7 HD12 LEU 7 -8.378 -0.655 -3.832 76 HD13 LEU 7 HD13 LEU 7 -9.257 -2.161 -3.561 77 HD21 LEU 7 HD21 LEU 7 -8.443 -3.810 -1.964 78 HD22 LEU 7 HD22 LEU 7 -7.016 -3.492 -0.987 79 HD23 LEU 7 HD23 LEU 7 -6.843 -3.875 -2.702 80 H ALA 8 HN ALA 8 -4.484 1.050 -0.820 81 HA ALA 8 HA ALA 8 -2.010 0.874 -2.146 82 HB1 ALA 8 HB1 ALA 8 -1.476 3.007 -1.088 83 HB2 ALA 8 HB2 ALA 8 -2.829 2.798 0.025 84 HB3 ALA 8 HB3 ALA 8 -3.131 3.008 -1.700 85 H LEU 9 HN LEU 9 -2.957 0.338 1.171 86 HA LEU 9 HA LEU 9 -0.344 0.080 2.220 87 HB2 LEU 9 HB2 LEU 9 -2.372 0.467 3.595 88 HB3 LEU 9 HB1 LEU 9 -2.920 -1.149 3.206 89 HG LEU 9 HG LEU 9 -0.902 -2.047 4.340 90 HD11 LEU 9 HD11 LEU 9 -0.514 0.808 5.210 91 HD12 LEU 9 HD12 LEU 9 0.565 -0.135 4.180 92 HD13 LEU 9 HD13 LEU 9 0.336 -0.588 5.867 93 HD21 LEU 9 HD21 LEU 9 -2.729 -0.322 5.996 94 HD22 LEU 9 HD22 LEU 9 -1.724 -1.632 6.615 95 HD23 LEU 9 HD23 LEU 9 -3.032 -1.982 5.484 96 H ARG 10 HN ARG 10 -2.518 -2.056 0.561 97 HA ARG 10 HA ARG 10 -0.920 -4.405 1.041 98 HB2 ARG 10 HB2 ARG 10 -3.146 -3.977 -0.963 99 HB3 ARG 10 HB1 ARG 10 -2.394 -5.523 -0.609 100 HG2 ARG 10 HG2 ARG 10 -4.114 -3.853 1.208 101 HG3 ARG 10 HG1 ARG 10 -4.489 -5.432 0.519 102 HD2 ARG 10 HD2 ARG 10 -2.390 -4.799 2.602 103 HD3 ARG 10 HD1 ARG 10 -3.888 -5.697 2.819 104 HE ARG 10 HE ARG 10 -2.622 -7.151 0.954 105 HH11 ARG 10 HH11 ARG 10 -1.566 -5.968 4.137 106 HH12 ARG 10 HH12 ARG 10 -0.457 -7.231 4.382 107 HH21 ARG 10 HH21 ARG 10 -1.100 -8.877 1.319 108 HH22 ARG 10 HH22 ARG 10 -0.186 -8.923 2.737 109 H LEU 11 HN LEU 11 -1.246 -1.991 -1.467 110 HA LEU 11 HA LEU 11 0.492 -3.157 -3.353 111 HB2 LEU 11 HB2 LEU 11 -0.056 -0.238 -2.764 112 HB3 LEU 11 HB1 LEU 11 0.911 -0.787 -4.113 113 HG LEU 11 HG LEU 11 -2.025 -1.404 -3.731 114 HD11 LEU 11 HD11 LEU 11 -1.635 0.973 -4.188 115 HD12 LEU 11 HD12 LEU 11 -2.379 0.166 -5.566 116 HD13 LEU 11 HD13 LEU 11 -0.656 0.536 -5.588 117 HD21 LEU 11 HD21 LEU 11 -0.847 -3.131 -5.005 118 HD22 LEU 11 HD22 LEU 11 -0.166 -1.898 -6.062 119 HD23 LEU 11 HD23 LEU 11 -1.904 -2.187 -6.054 120 H ALA 12 HN ALA 12 1.068 -0.905 -0.699 121 HA ALA 12 HA ALA 12 3.863 -0.757 -0.986 122 HB1 ALA 12 HB1 ALA 12 2.536 0.910 0.227 123 HB2 ALA 12 HB2 ALA 12 3.838 0.263 1.228 124 HB3 ALA 12 HB3 ALA 12 2.183 -0.287 1.473 125 H ALA 13 HN ALA 13 1.876 -3.203 0.308 126 HA ALA 13 HA ALA 13 3.824 -4.317 2.079 127 HB1 ALA 13 HB1 ALA 13 1.426 -4.697 2.429 128 HB2 ALA 13 HB2 ALA 13 2.299 -6.219 2.263 129 HB3 ALA 13 HB3 ALA 13 1.350 -5.597 0.915 130 H LYS 14 HN LYS 14 2.723 -5.079 -1.233 131 HA LYS 14 HA LYS 14 4.771 -7.111 -1.409 132 HB2 LYS 14 HB2 LYS 14 3.790 -7.449 -3.722 133 HB3 LYS 14 HB1 LYS 14 2.756 -7.826 -2.355 134 HG2 LYS 14 HG2 LYS 14 1.602 -5.710 -2.627 135 HG3 LYS 14 HG1 LYS 14 2.665 -5.294 -3.971 136 HD2 LYS 14 HD2 LYS 14 1.857 -7.157 -5.237 137 HD3 LYS 14 HD1 LYS 14 0.876 -7.708 -3.880 138 HE2 LYS 14 HE2 LYS 14 0.541 -5.052 -5.261 139 HE3 LYS 14 HE1 LYS 14 -0.405 -6.499 -5.604 140 HZ1 LYS 14 HZ1 LYS 14 -0.301 -5.158 -2.948 141 HZ2 LYS 14 HZ2 LYS 14 -1.210 -6.495 -3.368 142 HZ3 LYS 14 HZ3 LYS 14 -1.554 -5.020 -4.082 143 H ILE 15 HN ILE 15 4.233 -3.855 -2.493 144 HA ILE 15 HA ILE 15 6.786 -3.951 -3.914 145 HB ILE 15 HB ILE 15 4.438 -2.054 -4.314 146 HG12 ILE 15 HG12 ILE 15 5.533 -4.168 -6.189 147 HG13 ILE 15 HG11 ILE 15 4.067 -4.343 -5.235 148 HG21 ILE 15 HG21 ILE 15 6.574 -0.931 -4.666 149 HG22 ILE 15 HG22 ILE 15 5.741 -1.154 -6.206 150 HG23 ILE 15 HG23 ILE 15 7.081 -2.212 -5.769 151 HD11 ILE 15 HD11 ILE 15 3.560 -3.784 -7.540 152 HD12 ILE 15 HD12 ILE 15 4.537 -2.320 -7.416 153 HD13 ILE 15 HD13 ILE 15 3.062 -2.479 -6.466 154 H ALA 16 HN ALA 16 8.269 -3.080 -2.661 155 HA ALA 16 HA ALA 16 7.580 -1.558 -0.342 156 HB1 ALA 16 HB1 ALA 16 10.281 -2.181 -1.518 157 HB2 ALA 16 HB2 ALA 16 9.433 -3.152 -0.317 158 HB3 ALA 16 HB3 ALA 16 9.978 -1.523 0.090 159 HA PRO 17 HA PRO 17 7.965 2.243 -2.638 160 HB2 PRO 17 HB2 PRO 17 6.877 3.867 -0.746 161 HB3 PRO 17 HB1 PRO 17 5.896 2.892 -1.842 162 HG2 PRO 17 HG2 PRO 17 6.503 2.471 1.027 163 HG3 PRO 17 HG1 PRO 17 5.085 1.978 0.093 164 HD2 PRO 17 HD2 PRO 17 7.236 0.336 0.851 165 HD3 PRO 17 HD1 PRO 17 5.990 -0.053 -0.347 166 H VAL 18 HN VAL 18 10.125 2.430 -2.637 167 HA VAL 18 HA VAL 18 11.571 3.034 -0.225 168 HB VAL 18 HB VAL 18 12.621 2.907 -3.078 169 HG11 VAL 18 HG11 VAL 18 14.825 2.624 -2.055 170 HG12 VAL 18 HG12 VAL 18 14.105 2.795 -0.456 171 HG13 VAL 18 HG13 VAL 18 14.092 4.157 -1.576 172 HG21 VAL 18 HG21 VAL 18 13.412 0.657 -2.518 173 HG22 VAL 18 HG22 VAL 18 11.654 0.766 -2.395 174 HG23 VAL 18 HG23 VAL 18 12.643 0.779 -0.937 175 H TRP 19 HN TRP 19 10.415 4.848 0.210 176 HA TRP 19 HA TRP 19 11.671 7.254 -0.007 177 HB2 TRP 19 HB2 TRP 19 9.383 6.979 -1.961 178 HB3 TRP 19 HB1 TRP 19 9.540 8.479 -1.063 179 HD1 TRP 19 HD1 TRP 19 12.675 8.853 -1.216 180 HE1 TRP 19 HE1 TRP 19 13.781 9.453 -3.448 181 HE3 TRP 19 HE3 TRP 19 8.999 7.242 -4.373 182 HZ2 TRP 19 HZ2 TRP 19 13.159 9.280 -6.208 183 HZ3 TRP 19 HZ3 TRP 19 9.333 7.511 -6.799 184 HH2 TRP 19 HH2 TRP 19 11.365 8.509 -7.686 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 -17.133 1.747 -1.701 2 H3 PRO 1 HT2 PRO 1 -17.398 0.131 -1.501 3 HA PRO 1 HA PRO 1 -16.119 -0.425 -3.423 4 HB2 PRO 1 HB2 PRO 1 -14.408 1.770 -3.476 5 HB3 PRO 1 HB1 PRO 1 -15.579 1.361 -4.737 6 HG2 PRO 1 HG2 PRO 1 -15.827 3.307 -2.491 7 HG3 PRO 1 HG1 PRO 1 -16.451 3.416 -4.146 8 HD2 PRO 1 HD2 PRO 1 -18.118 2.870 -2.163 9 HD3 PRO 1 HD1 PRO 1 -18.244 2.071 -3.720 10 H MET 2 HN MET 2 -13.803 -0.853 -2.933 11 HA MET 2 HA MET 2 -13.366 -0.963 -0.102 12 HB2 MET 2 HB2 MET 2 -11.643 -1.800 -2.439 13 HB3 MET 2 HB1 MET 2 -11.111 -1.927 -0.772 14 HG2 MET 2 HG2 MET 2 -12.998 -3.416 -0.306 15 HG3 MET 2 HG1 MET 2 -13.473 -3.316 -2.002 16 HE1 MET 2 HE1 MET 2 -12.921 -6.045 -0.391 17 HE2 MET 2 HE2 MET 2 -12.045 -6.961 -1.615 18 HE3 MET 2 HE3 MET 2 -13.444 -5.990 -2.074 19 H LYS 3 HN LYS 3 -11.536 -0.097 0.916 20 HA LYS 3 HA LYS 3 -11.236 2.642 0.337 21 HB2 LYS 3 HB2 LYS 3 -9.856 0.859 2.336 22 HB3 LYS 3 HB1 LYS 3 -9.722 2.604 2.323 23 HG2 LYS 3 HG2 LYS 3 -12.249 1.014 2.768 24 HG3 LYS 3 HG1 LYS 3 -11.326 1.872 4.001 25 HD2 LYS 3 HD2 LYS 3 -11.800 4.002 2.873 26 HD3 LYS 3 HD1 LYS 3 -12.690 3.140 1.623 27 HE2 LYS 3 HE2 LYS 3 -14.214 4.132 3.223 28 HE3 LYS 3 HE1 LYS 3 -14.302 2.376 3.291 29 HZ1 LYS 3 HZ1 LYS 3 -12.759 4.071 5.173 30 HZ2 LYS 3 HZ2 LYS 3 -12.976 2.395 5.276 31 HZ3 LYS 3 HZ3 LYS 3 -14.283 3.437 5.483 32 H LYS 4 HN LYS 4 -9.856 3.599 -0.852 33 HA LYS 4 HA LYS 4 -8.050 2.388 -2.604 34 HB2 LYS 4 HB2 LYS 4 -7.969 5.220 -1.574 35 HB3 LYS 4 HB1 LYS 4 -7.223 4.625 -3.045 36 HG2 LYS 4 HG2 LYS 4 -9.451 4.178 -3.971 37 HG3 LYS 4 HG1 LYS 4 -10.172 4.822 -2.489 38 HD2 LYS 4 HD2 LYS 4 -9.041 6.957 -2.871 39 HD3 LYS 4 HD1 LYS 4 -8.348 6.322 -4.360 40 HE2 LYS 4 HE2 LYS 4 -10.632 6.001 -5.238 41 HE3 LYS 4 HE1 LYS 4 -11.268 6.718 -3.761 42 HZ1 LYS 4 HZ1 LYS 4 -11.115 8.353 -5.540 43 HZ2 LYS 4 HZ2 LYS 4 -9.463 8.065 -5.682 44 HZ3 LYS 4 HZ3 LYS 4 -10.069 8.748 -4.276 45 H LEU 5 HN LEU 5 -7.641 3.985 0.482 46 HA LEU 5 HA LEU 5 -4.842 3.933 0.585 47 HB2 LEU 5 HB2 LEU 5 -6.928 4.153 2.723 48 HB3 LEU 5 HB1 LEU 5 -5.234 4.045 3.136 49 HG LEU 5 HG LEU 5 -4.826 6.145 1.860 50 HD11 LEU 5 HD11 LEU 5 -6.752 6.024 0.319 51 HD12 LEU 5 HD12 LEU 5 -6.638 7.557 1.179 52 HD13 LEU 5 HD13 LEU 5 -7.820 6.362 1.689 53 HD21 LEU 5 HD21 LEU 5 -5.139 6.193 4.236 54 HD22 LEU 5 HD22 LEU 5 -6.889 6.287 4.031 55 HD23 LEU 5 HD23 LEU 5 -5.866 7.618 3.493 56 H LYS 6 HN LYS 6 -7.249 1.598 1.651 57 HA LYS 6 HA LYS 6 -5.353 -0.087 2.920 58 HB2 LYS 6 HB2 LYS 6 -8.141 -0.645 1.924 59 HB3 LYS 6 HB1 LYS 6 -7.158 -1.850 2.746 60 HG2 LYS 6 HG2 LYS 6 -7.008 -0.399 4.700 61 HG3 LYS 6 HG1 LYS 6 -8.011 0.797 3.883 62 HD2 LYS 6 HD2 LYS 6 -9.870 -0.716 3.830 63 HD3 LYS 6 HD1 LYS 6 -8.876 -2.033 4.461 64 HE2 LYS 6 HE2 LYS 6 -9.529 0.533 5.896 65 HE3 LYS 6 HE1 LYS 6 -10.306 -1.019 6.193 66 HZ1 LYS 6 HZ1 LYS 6 -8.561 -0.621 7.812 67 HZ2 LYS 6 HZ2 LYS 6 -7.408 -0.435 6.602 68 HZ3 LYS 6 HZ3 LYS 6 -8.149 -1.913 6.828 69 H LEU 7 HN LEU 7 -6.745 -0.021 -0.290 70 HA LEU 7 HA LEU 7 -5.413 -2.308 -1.277 71 HB2 LEU 7 HB2 LEU 7 -6.277 0.179 -2.760 72 HB3 LEU 7 HB1 LEU 7 -5.823 -1.333 -3.512 73 HG LEU 7 HG LEU 7 -8.231 -0.905 -1.740 74 HD11 LEU 7 HD11 LEU 7 -9.515 -1.218 -3.790 75 HD12 LEU 7 HD12 LEU 7 -8.018 -1.303 -4.716 76 HD13 LEU 7 HD13 LEU 7 -8.463 0.194 -3.893 77 HD21 LEU 7 HD21 LEU 7 -7.344 -3.335 -3.301 78 HD22 LEU 7 HD22 LEU 7 -8.884 -3.162 -2.460 79 HD23 LEU 7 HD23 LEU 7 -7.380 -3.182 -1.542 80 H ALA 8 HN ALA 8 -4.510 1.066 -1.022 81 HA ALA 8 HA ALA 8 -2.074 0.966 -2.426 82 HB1 ALA 8 HB1 ALA 8 -3.218 3.054 -1.888 83 HB2 ALA 8 HB2 ALA 8 -1.565 3.068 -1.262 84 HB3 ALA 8 HB3 ALA 8 -2.919 2.783 -0.173 85 H LEU 9 HN LEU 9 -2.877 0.548 0.986 86 HA LEU 9 HA LEU 9 -0.270 0.132 1.941 87 HB2 LEU 9 HB2 LEU 9 -2.890 -0.960 2.976 88 HB3 LEU 9 HB1 LEU 9 -1.380 -1.002 3.855 89 HG LEU 9 HG LEU 9 -2.884 1.489 3.063 90 HD11 LEU 9 HD11 LEU 9 -2.533 0.171 5.743 91 HD12 LEU 9 HD12 LEU 9 -4.022 0.246 4.803 92 HD13 LEU 9 HD13 LEU 9 -3.313 1.725 5.455 93 HD21 LEU 9 HD21 LEU 9 -0.481 1.887 3.124 94 HD22 LEU 9 HD22 LEU 9 -0.387 1.155 4.726 95 HD23 LEU 9 HD23 LEU 9 -1.274 2.662 4.494 96 H ARG 10 HN ARG 10 -2.691 -2.092 0.695 97 HA ARG 10 HA ARG 10 -1.262 -4.475 1.091 98 HB2 ARG 10 HB2 ARG 10 -3.356 -3.765 -0.953 99 HB3 ARG 10 HB1 ARG 10 -2.728 -5.392 -0.728 100 HG2 ARG 10 HG2 ARG 10 -3.566 -5.458 1.519 101 HG3 ARG 10 HG1 ARG 10 -4.082 -3.775 1.410 102 HD2 ARG 10 HD2 ARG 10 -5.963 -5.299 1.121 103 HD3 ARG 10 HD1 ARG 10 -5.668 -4.361 -0.336 104 HE ARG 10 HE ARG 10 -4.663 -6.292 -1.319 105 HH11 ARG 10 HH11 ARG 10 -6.527 -6.900 1.664 106 HH12 ARG 10 HH12 ARG 10 -6.935 -8.491 1.281 107 HH21 ARG 10 HH21 ARG 10 -5.281 -8.539 -1.877 108 HH22 ARG 10 HH22 ARG 10 -6.204 -9.460 -0.799 109 H LEU 11 HN LEU 11 -1.174 -2.149 -1.516 110 HA LEU 11 HA LEU 11 0.590 -3.682 -3.159 111 HB2 LEU 11 HB2 LEU 11 -0.769 -1.923 -4.140 112 HB3 LEU 11 HB1 LEU 11 0.000 -0.719 -3.125 113 HG LEU 11 HG LEU 11 2.132 -1.108 -4.310 114 HD11 LEU 11 HD11 LEU 11 2.142 -2.384 -6.406 115 HD12 LEU 11 HD12 LEU 11 0.507 -2.948 -6.057 116 HD13 LEU 11 HD13 LEU 11 1.840 -3.399 -4.999 117 HD21 LEU 11 HD21 LEU 11 0.664 0.682 -5.035 118 HD22 LEU 11 HD22 LEU 11 -0.204 -0.432 -6.092 119 HD23 LEU 11 HD23 LEU 11 1.485 -0.040 -6.419 120 H ALA 12 HN ALA 12 0.990 -1.155 -0.751 121 HA ALA 12 HA ALA 12 3.773 -0.816 -1.026 122 HB1 ALA 12 HB1 ALA 12 2.328 0.808 0.097 123 HB2 ALA 12 HB2 ALA 12 3.662 0.300 1.134 124 HB3 ALA 12 HB3 ALA 12 2.043 -0.350 1.396 125 H ALA 13 HN ALA 13 1.845 -3.113 0.715 126 HA ALA 13 HA ALA 13 3.892 -4.210 2.306 127 HB1 ALA 13 HB1 ALA 13 1.394 -5.541 1.249 128 HB2 ALA 13 HB2 ALA 13 1.514 -4.618 2.748 129 HB3 ALA 13 HB3 ALA 13 2.398 -6.134 2.574 130 H LYS 14 HN LYS 14 2.847 -4.767 -0.992 131 HA LYS 14 HA LYS 14 4.470 -7.078 -1.432 132 HB2 LYS 14 HB2 LYS 14 3.215 -5.162 -3.387 133 HB3 LYS 14 HB1 LYS 14 3.931 -6.712 -3.794 134 HG2 LYS 14 HG2 LYS 14 2.234 -7.821 -2.390 135 HG3 LYS 14 HG1 LYS 14 1.504 -6.246 -2.084 136 HD2 LYS 14 HD2 LYS 14 0.293 -7.338 -3.827 137 HD3 LYS 14 HD1 LYS 14 1.169 -5.976 -4.522 138 HE2 LYS 14 HE2 LYS 14 2.917 -7.480 -5.342 139 HE3 LYS 14 HE1 LYS 14 2.093 -8.851 -4.602 140 HZ1 LYS 14 HZ1 LYS 14 0.235 -8.455 -6.114 141 HZ2 LYS 14 HZ2 LYS 14 1.661 -8.728 -6.953 142 HZ3 LYS 14 HZ3 LYS 14 1.057 -7.166 -6.815 143 H ILE 15 HN ILE 15 4.809 -3.644 -1.811 144 HA ILE 15 HA ILE 15 7.189 -3.701 -3.323 145 HB ILE 15 HB ILE 15 6.105 -1.492 -1.533 146 HG12 ILE 15 HG12 ILE 15 5.915 -1.872 -4.534 147 HG13 ILE 15 HG11 ILE 15 4.608 -2.167 -3.398 148 HG21 ILE 15 HG21 ILE 15 8.232 -1.379 -3.685 149 HG22 ILE 15 HG22 ILE 15 8.511 -1.226 -1.952 150 HG23 ILE 15 HG23 ILE 15 7.584 0.010 -2.809 151 HD11 ILE 15 HD11 ILE 15 4.602 0.209 -2.809 152 HD12 ILE 15 HD12 ILE 15 4.336 -0.044 -4.531 153 HD13 ILE 15 HD13 ILE 15 5.915 0.489 -3.953 154 H ALA 16 HN ALA 16 8.894 -4.622 -2.660 155 HA ALA 16 HA ALA 16 9.592 -4.937 0.111 156 HB1 ALA 16 HB1 ALA 16 11.027 -5.740 -2.427 157 HB2 ALA 16 HB2 ALA 16 9.936 -6.760 -1.493 158 HB3 ALA 16 HB3 ALA 16 11.475 -6.250 -0.801 159 HA PRO 17 HA PRO 17 12.442 -1.512 0.602 160 HB2 PRO 17 HB2 PRO 17 14.725 -2.966 1.374 161 HB3 PRO 17 HB1 PRO 17 13.509 -2.309 2.469 162 HG2 PRO 17 HG2 PRO 17 13.793 -5.073 1.394 163 HG3 PRO 17 HG1 PRO 17 13.232 -4.541 2.988 164 HD2 PRO 17 HD2 PRO 17 11.506 -5.408 1.160 165 HD3 PRO 17 HD1 PRO 17 11.101 -4.028 2.200 166 H VAL 18 HN VAL 18 13.477 -0.482 -0.950 167 HA VAL 18 HA VAL 18 14.383 -1.884 -3.257 168 HB VAL 18 HB VAL 18 14.587 1.069 -2.587 169 HG11 VAL 18 HG11 VAL 18 16.175 0.380 -4.305 170 HG12 VAL 18 HG12 VAL 18 14.904 1.391 -4.987 171 HG13 VAL 18 HG13 VAL 18 14.868 -0.356 -5.230 172 HG21 VAL 18 HG21 VAL 18 12.549 -0.408 -4.255 173 HG22 VAL 18 HG22 VAL 18 12.614 1.337 -3.998 174 HG23 VAL 18 HG23 VAL 18 12.270 0.258 -2.647 175 H TRP 19 HN TRP 19 16.138 -3.004 -2.992 176 HA TRP 19 HA TRP 19 18.682 -1.908 -2.835 177 HB2 TRP 19 HB2 TRP 19 18.120 -1.740 -0.375 178 HB3 TRP 19 HB1 TRP 19 17.813 -3.471 -0.371 179 HD1 TRP 19 HD1 TRP 19 20.635 -0.929 -0.343 180 HE1 TRP 19 HE1 TRP 19 22.867 -2.145 0.113 181 HE3 TRP 19 HE3 TRP 19 19.044 -5.762 -0.744 182 HZ2 TRP 19 HZ2 TRP 19 23.817 -4.789 0.264 183 HZ3 TRP 19 HZ3 TRP 19 20.673 -7.572 -0.434 184 HH2 TRP 19 HH2 TRP 19 23.006 -7.090 0.057 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 -12.920 -3.900 -2.850 2 H3 PRO 1 HT2 PRO 1 -14.003 -3.886 -1.606 3 HA PRO 1 HA PRO 1 -12.414 -2.951 -0.095 4 HB2 PRO 1 HB2 PRO 1 -10.631 -1.739 -1.789 5 HB3 PRO 1 HB1 PRO 1 -10.273 -3.186 -0.836 6 HG2 PRO 1 HG2 PRO 1 -11.138 -2.986 -3.700 7 HG3 PRO 1 HG1 PRO 1 -9.909 -4.043 -2.987 8 HD2 PRO 1 HD2 PRO 1 -12.253 -5.051 -3.604 9 HD3 PRO 1 HD1 PRO 1 -11.453 -5.481 -2.106 10 H MET 2 HN MET 2 -13.396 -1.044 0.309 11 HA MET 2 HA MET 2 -14.347 0.490 -1.990 12 HB2 MET 2 HB2 MET 2 -15.114 0.674 0.926 13 HB3 MET 2 HB1 MET 2 -15.696 1.764 -0.321 14 HG2 MET 2 HG2 MET 2 -16.728 -0.149 -1.471 15 HG3 MET 2 HG1 MET 2 -16.198 -1.193 -0.151 16 HE1 MET 2 HE1 MET 2 -18.693 -2.022 0.183 17 HE2 MET 2 HE2 MET 2 -19.219 -0.970 -1.132 18 HE3 MET 2 HE3 MET 2 -20.059 -0.931 0.417 19 H LYS 3 HN LYS 3 -12.545 0.769 1.017 20 HA LYS 3 HA LYS 3 -11.767 3.447 0.371 21 HB2 LYS 3 HB2 LYS 3 -10.864 1.635 2.621 22 HB3 LYS 3 HB1 LYS 3 -10.538 3.359 2.484 23 HG2 LYS 3 HG2 LYS 3 -12.970 3.792 2.574 24 HG3 LYS 3 HG1 LYS 3 -13.241 2.071 2.821 25 HD2 LYS 3 HD2 LYS 3 -13.334 3.186 4.946 26 HD3 LYS 3 HD1 LYS 3 -11.858 2.223 4.894 27 HE2 LYS 3 HE2 LYS 3 -10.546 4.203 4.388 28 HE3 LYS 3 HE1 LYS 3 -12.011 5.175 4.292 29 HZ1 LYS 3 HZ1 LYS 3 -12.383 4.783 6.627 30 HZ2 LYS 3 HZ2 LYS 3 -10.888 5.482 6.375 31 HZ3 LYS 3 HZ3 LYS 3 -10.988 3.827 6.740 32 H LYS 4 HN LYS 4 -10.206 3.888 -0.926 33 HA LYS 4 HA LYS 4 -8.667 1.911 -2.234 34 HB2 LYS 4 HB2 LYS 4 -8.280 4.894 -2.289 35 HB3 LYS 4 HB1 LYS 4 -7.646 3.744 -3.452 36 HG2 LYS 4 HG2 LYS 4 -10.547 4.409 -2.981 37 HG3 LYS 4 HG1 LYS 4 -9.554 4.927 -4.340 38 HD2 LYS 4 HD2 LYS 4 -9.296 2.562 -5.007 39 HD3 LYS 4 HD1 LYS 4 -10.355 2.093 -3.673 40 HE2 LYS 4 HE2 LYS 4 -12.131 3.510 -4.619 41 HE3 LYS 4 HE1 LYS 4 -11.066 3.901 -5.964 42 HZ1 LYS 4 HZ1 LYS 4 -11.047 1.574 -6.583 43 HZ2 LYS 4 HZ2 LYS 4 -12.618 2.169 -6.555 44 HZ3 LYS 4 HZ3 LYS 4 -12.065 1.190 -5.300 45 H LEU 5 HN LEU 5 -7.989 3.814 0.580 46 HA LEU 5 HA LEU 5 -5.176 3.729 0.321 47 HB2 LEU 5 HB2 LEU 5 -4.960 4.607 2.484 48 HB3 LEU 5 HB1 LEU 5 -6.438 5.296 1.871 49 HG LEU 5 HG LEU 5 -6.209 3.065 3.897 50 HD11 LEU 5 HD11 LEU 5 -5.543 5.217 4.768 51 HD12 LEU 5 HD12 LEU 5 -7.085 4.710 5.455 52 HD13 LEU 5 HD13 LEU 5 -7.044 5.935 4.187 53 HD21 LEU 5 HD21 LEU 5 -8.651 4.499 2.876 54 HD22 LEU 5 HD22 LEU 5 -8.610 3.341 4.204 55 HD23 LEU 5 HD23 LEU 5 -8.231 2.815 2.561 56 H LYS 6 HN LYS 6 -7.444 1.346 1.337 57 HA LYS 6 HA LYS 6 -5.655 -0.320 2.774 58 HB2 LYS 6 HB2 LYS 6 -8.099 -0.648 2.835 59 HB3 LYS 6 HB1 LYS 6 -8.087 -1.081 1.130 60 HG2 LYS 6 HG2 LYS 6 -6.686 -3.035 1.642 61 HG3 LYS 6 HG1 LYS 6 -6.732 -2.608 3.349 62 HD2 LYS 6 HD2 LYS 6 -9.124 -3.320 1.643 63 HD3 LYS 6 HD1 LYS 6 -8.332 -4.389 2.799 64 HE2 LYS 6 HE2 LYS 6 -9.765 -1.804 3.421 65 HE3 LYS 6 HE1 LYS 6 -10.333 -3.430 3.773 66 HZ1 LYS 6 HZ1 LYS 6 -7.940 -2.126 4.973 67 HZ2 LYS 6 HZ2 LYS 6 -8.435 -3.712 5.278 68 HZ3 LYS 6 HZ3 LYS 6 -9.414 -2.432 5.726 69 H LEU 7 HN LEU 7 -6.487 0.101 -0.581 70 HA LEU 7 HA LEU 7 -5.024 -2.050 -1.668 71 HB2 LEU 7 HB2 LEU 7 -5.716 0.620 -2.899 72 HB3 LEU 7 HB1 LEU 7 -5.156 -0.785 -3.778 73 HG LEU 7 HG LEU 7 -7.773 -0.609 -2.284 74 HD11 LEU 7 HD11 LEU 7 -8.775 -0.553 -4.510 75 HD12 LEU 7 HD12 LEU 7 -7.169 -0.495 -5.233 76 HD13 LEU 7 HD13 LEU 7 -7.735 0.844 -4.236 77 HD21 LEU 7 HD21 LEU 7 -8.287 -2.698 -3.458 78 HD22 LEU 7 HD22 LEU 7 -6.904 -2.881 -2.380 79 HD23 LEU 7 HD23 LEU 7 -6.654 -2.725 -4.121 80 H ALA 8 HN ALA 8 -4.300 1.335 -1.064 81 HA ALA 8 HA ALA 8 -1.707 1.458 -2.099 82 HB1 ALA 8 HB1 ALA 8 -3.005 3.430 -1.456 83 HB2 ALA 8 HB2 ALA 8 -1.419 3.428 -0.679 84 HB3 ALA 8 HB3 ALA 8 -2.853 2.976 0.241 85 H LEU 9 HN LEU 9 -2.806 0.670 1.170 86 HA LEU 9 HA LEU 9 -0.261 0.296 2.303 87 HB2 LEU 9 HB2 LEU 9 -2.886 -0.979 3.059 88 HB3 LEU 9 HB1 LEU 9 -1.431 -1.017 4.032 89 HG LEU 9 HG LEU 9 -3.009 1.456 3.334 90 HD11 LEU 9 HD11 LEU 9 -3.591 1.457 5.705 91 HD12 LEU 9 HD12 LEU 9 -2.735 -0.071 5.914 92 HD13 LEU 9 HD13 LEU 9 -4.171 0.004 4.892 93 HD21 LEU 9 HD21 LEU 9 -0.638 1.960 3.577 94 HD22 LEU 9 HD22 LEU 9 -0.591 1.075 5.099 95 HD23 LEU 9 HD23 LEU 9 -1.534 2.559 4.974 96 H ARG 10 HN ARG 10 -2.519 -2.013 0.847 97 HA ARG 10 HA ARG 10 -0.765 -4.197 1.346 98 HB2 ARG 10 HB2 ARG 10 -3.157 -4.097 -0.492 99 HB3 ARG 10 HB1 ARG 10 -2.304 -5.556 -0.011 100 HG2 ARG 10 HG2 ARG 10 -3.967 -3.734 1.720 101 HG3 ARG 10 HG1 ARG 10 -4.259 -5.427 1.329 102 HD2 ARG 10 HD2 ARG 10 -2.028 -4.319 3.040 103 HD3 ARG 10 HD1 ARG 10 -3.419 -5.238 3.597 104 HE ARG 10 HE ARG 10 -2.305 -6.937 1.877 105 HH11 ARG 10 HH11 ARG 10 -0.894 -5.083 4.542 106 HH12 ARG 10 HH12 ARG 10 0.355 -6.182 4.850 107 HH21 ARG 10 HH21 ARG 10 -0.562 -8.466 2.284 108 HH22 ARG 10 HH22 ARG 10 0.534 -8.166 3.546 109 H LEU 11 HN LEU 11 -1.076 -1.970 -1.253 110 HA LEU 11 HA LEU 11 0.395 -3.361 -3.215 111 HB2 LEU 11 HB2 LEU 11 -0.869 -1.364 -3.780 112 HB3 LEU 11 HB1 LEU 11 0.094 -0.401 -2.681 113 HG LEU 11 HG LEU 11 2.070 -0.775 -4.136 114 HD11 LEU 11 HD11 LEU 11 1.758 -1.644 -6.389 115 HD12 LEU 11 HD12 LEU 11 0.091 -2.060 -5.996 116 HD13 LEU 11 HD13 LEU 11 1.421 -2.868 -5.166 117 HD21 LEU 11 HD21 LEU 11 1.351 0.728 -5.932 118 HD22 LEU 11 HD22 LEU 11 0.740 1.248 -4.361 119 HD23 LEU 11 HD23 LEU 11 -0.332 0.430 -5.497 120 H ALA 12 HN ALA 12 1.342 -0.924 -0.832 121 HA ALA 12 HA ALA 12 4.107 -1.030 -1.378 122 HB1 ALA 12 HB1 ALA 12 3.017 0.883 -0.292 123 HB2 ALA 12 HB2 ALA 12 4.377 0.278 0.652 124 HB3 ALA 12 HB3 ALA 12 2.726 -0.107 1.139 125 H ALA 13 HN ALA 13 2.081 -3.075 0.407 126 HA ALA 13 HA ALA 13 4.164 -4.203 2.026 127 HB1 ALA 13 HB1 ALA 13 2.479 -5.796 2.756 128 HB2 ALA 13 HB2 ALA 13 1.380 -5.225 1.501 129 HB3 ALA 13 HB3 ALA 13 1.848 -4.151 2.818 130 H LYS 14 HN LYS 14 2.719 -4.919 -1.151 131 HA LYS 14 HA LYS 14 4.047 -7.486 -1.147 132 HB2 LYS 14 HB2 LYS 14 2.860 -7.901 -3.237 133 HB3 LYS 14 HB1 LYS 14 1.756 -7.367 -1.977 134 HG2 LYS 14 HG2 LYS 14 1.713 -5.134 -2.938 135 HG3 LYS 14 HG1 LYS 14 2.856 -5.646 -4.176 136 HD2 LYS 14 HD2 LYS 14 0.704 -5.696 -5.177 137 HD3 LYS 14 HD1 LYS 14 1.233 -7.351 -4.840 138 HE2 LYS 14 HE2 LYS 14 -0.209 -7.516 -2.936 139 HE3 LYS 14 HE1 LYS 14 -0.625 -5.806 -3.038 140 HZ1 LYS 14 HZ1 LYS 14 -1.346 -7.903 -5.028 141 HZ2 LYS 14 HZ2 LYS 14 -1.637 -6.269 -5.201 142 HZ3 LYS 14 HZ3 LYS 14 -2.418 -7.103 -3.992 143 H ILE 15 HN ILE 15 4.364 -4.283 -2.574 144 HA ILE 15 HA ILE 15 6.953 -4.993 -3.597 145 HB ILE 15 HB ILE 15 5.284 -5.590 -5.422 146 HG12 ILE 15 HG12 ILE 15 6.408 -4.326 -7.278 147 HG13 ILE 15 HG11 ILE 15 7.202 -3.334 -6.062 148 HG21 ILE 15 HG21 ILE 15 3.605 -3.903 -4.986 149 HG22 ILE 15 HG22 ILE 15 4.152 -3.826 -6.659 150 HG23 ILE 15 HG23 ILE 15 4.726 -2.637 -5.489 151 HD11 ILE 15 HD11 ILE 15 7.513 -6.311 -6.393 152 HD12 ILE 15 HD12 ILE 15 8.331 -5.318 -5.187 153 HD13 ILE 15 HD13 ILE 15 8.670 -5.082 -6.900 154 H ALA 16 HN ALA 16 8.000 -2.873 -4.373 155 HA ALA 16 HA ALA 16 7.237 -0.765 -2.595 156 HB1 ALA 16 HB1 ALA 16 9.210 0.394 -3.499 157 HB2 ALA 16 HB2 ALA 16 9.394 -0.878 -4.707 158 HB3 ALA 16 HB3 ALA 16 9.605 -1.250 -2.997 159 HA PRO 17 HA PRO 17 4.639 1.370 -5.576 160 HB2 PRO 17 HB2 PRO 17 5.557 3.826 -4.177 161 HB3 PRO 17 HB1 PRO 17 3.906 3.254 -4.447 162 HG2 PRO 17 HG2 PRO 17 5.020 3.116 -2.028 163 HG3 PRO 17 HG1 PRO 17 3.966 1.821 -2.626 164 HD2 PRO 17 HD2 PRO 17 6.951 1.908 -2.447 165 HD3 PRO 17 HD1 PRO 17 5.828 0.570 -2.106 166 H VAL 18 HN VAL 18 5.457 1.556 -7.537 167 HA VAL 18 HA VAL 18 8.144 2.558 -7.956 168 HB VAL 18 HB VAL 18 7.887 1.817 -10.286 169 HG11 VAL 18 HG11 VAL 18 7.030 -0.225 -8.240 170 HG12 VAL 18 HG12 VAL 18 8.687 0.230 -8.637 171 HG13 VAL 18 HG13 VAL 18 7.688 -0.597 -9.833 172 HG21 VAL 18 HG21 VAL 18 5.507 2.266 -10.600 173 HG22 VAL 18 HG22 VAL 18 5.096 0.994 -9.455 174 HG23 VAL 18 HG23 VAL 18 5.866 0.583 -10.986 175 H TRP 19 HN TRP 19 5.234 3.972 -7.765 176 HA TRP 19 HA TRP 19 6.132 6.195 -9.420 177 HB2 TRP 19 HB2 TRP 19 4.278 4.985 -10.558 178 HB3 TRP 19 HB1 TRP 19 3.282 5.179 -9.127 179 HD1 TRP 19 HD1 TRP 19 5.123 7.556 -11.606 180 HE1 TRP 19 HE1 TRP 19 3.570 9.560 -12.065 181 HE3 TRP 19 HE3 TRP 19 1.217 6.263 -8.581 182 HZ2 TRP 19 HZ2 TRP 19 1.013 10.461 -11.251 183 HZ3 TRP 19 HZ3 TRP 19 -0.745 7.737 -8.483 184 HH2 TRP 19 HH2 TRP 19 -0.843 9.793 -9.797 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 -11.638 2.394 -5.027 2 H3 PRO 1 HT2 PRO 1 -13.265 2.624 -5.199 3 HA PRO 1 HA PRO 1 -13.793 1.152 -3.416 4 HB2 PRO 1 HB2 PRO 1 -11.440 1.438 -1.939 5 HB3 PRO 1 HB1 PRO 1 -12.046 -0.069 -2.638 6 HG2 PRO 1 HG2 PRO 1 -10.015 1.827 -3.713 7 HG3 PRO 1 HG1 PRO 1 -10.080 0.060 -3.828 8 HD2 PRO 1 HD2 PRO 1 -10.679 1.509 -5.946 9 HD3 PRO 1 HD1 PRO 1 -11.609 0.072 -5.520 10 H MET 2 HN MET 2 -13.814 2.223 -1.234 11 HA MET 2 HA MET 2 -13.864 5.080 -1.570 12 HB2 MET 2 HB2 MET 2 -14.554 3.308 0.787 13 HB3 MET 2 HB1 MET 2 -14.692 5.056 0.813 14 HG2 MET 2 HG2 MET 2 -16.849 4.089 0.449 15 HG3 MET 2 HG1 MET 2 -16.338 4.921 -1.016 16 HE1 MET 2 HE1 MET 2 -18.213 3.733 -2.413 17 HE2 MET 2 HE2 MET 2 -18.751 2.986 -0.911 18 HE3 MET 2 HE3 MET 2 -18.523 1.998 -2.352 19 H LYS 3 HN LYS 3 -12.385 2.864 0.782 20 HA LYS 3 HA LYS 3 -10.367 4.839 1.316 21 HB2 LYS 3 HB2 LYS 3 -10.638 2.017 2.398 22 HB3 LYS 3 HB1 LYS 3 -9.492 3.218 2.955 23 HG2 LYS 3 HG2 LYS 3 -12.492 3.377 3.218 24 HG3 LYS 3 HG1 LYS 3 -11.353 2.977 4.502 25 HD2 LYS 3 HD2 LYS 3 -10.330 5.226 4.203 26 HD3 LYS 3 HD1 LYS 3 -11.586 5.586 3.018 27 HE2 LYS 3 HE2 LYS 3 -13.304 5.207 4.726 28 HE3 LYS 3 HE1 LYS 3 -12.035 4.870 5.899 29 HZ1 LYS 3 HZ1 LYS 3 -12.810 7.130 6.117 30 HZ2 LYS 3 HZ2 LYS 3 -12.480 7.450 4.511 31 HZ3 LYS 3 HZ3 LYS 3 -11.214 7.134 5.582 32 H LYS 4 HN LYS 4 -9.183 4.964 -0.553 33 HA LYS 4 HA LYS 4 -8.406 2.635 -2.019 34 HB2 LYS 4 HB2 LYS 4 -7.099 3.997 -3.478 35 HB3 LYS 4 HB1 LYS 4 -8.502 4.960 -3.069 36 HG2 LYS 4 HG2 LYS 4 -5.853 5.275 -1.664 37 HG3 LYS 4 HG1 LYS 4 -6.239 6.132 -3.148 38 HD2 LYS 4 HD2 LYS 4 -7.933 6.285 -0.670 39 HD3 LYS 4 HD1 LYS 4 -6.595 7.394 -0.972 40 HE2 LYS 4 HE2 LYS 4 -9.004 7.001 -2.759 41 HE3 LYS 4 HE1 LYS 4 -8.767 8.330 -1.629 42 HZ1 LYS 4 HZ1 LYS 4 -8.169 9.023 -3.847 43 HZ2 LYS 4 HZ2 LYS 4 -7.093 7.755 -4.026 44 HZ3 LYS 4 HZ3 LYS 4 -6.764 8.968 -2.931 45 H LEU 5 HN LEU 5 -7.125 4.318 0.669 46 HA LEU 5 HA LEU 5 -4.449 3.502 0.487 47 HB2 LEU 5 HB2 LEU 5 -6.067 4.240 2.914 48 HB3 LEU 5 HB1 LEU 5 -4.331 4.024 2.905 49 HG LEU 5 HG LEU 5 -5.863 6.152 1.410 50 HD11 LEU 5 HD11 LEU 5 -4.027 6.324 3.785 51 HD12 LEU 5 HD12 LEU 5 -5.778 6.531 3.801 52 HD13 LEU 5 HD13 LEU 5 -4.761 7.688 2.944 53 HD21 LEU 5 HD21 LEU 5 -2.891 5.632 1.566 54 HD22 LEU 5 HD22 LEU 5 -3.638 7.067 0.869 55 HD23 LEU 5 HD23 LEU 5 -3.903 5.493 0.128 56 H LYS 6 HN LYS 6 -7.280 1.829 1.469 57 HA LYS 6 HA LYS 6 -6.052 -0.175 3.049 58 HB2 LYS 6 HB2 LYS 6 -8.469 0.219 3.111 59 HB3 LYS 6 HB1 LYS 6 -8.612 -0.247 1.428 60 HG2 LYS 6 HG2 LYS 6 -9.384 -2.042 2.841 61 HG3 LYS 6 HG1 LYS 6 -7.899 -2.533 2.027 62 HD2 LYS 6 HD2 LYS 6 -6.620 -2.036 4.056 63 HD3 LYS 6 HD1 LYS 6 -8.093 -1.520 4.872 64 HE2 LYS 6 HE2 LYS 6 -7.469 -4.285 3.839 65 HE3 LYS 6 HE1 LYS 6 -7.513 -3.782 5.524 66 HZ1 LYS 6 HZ1 LYS 6 -9.896 -3.291 5.239 67 HZ2 LYS 6 HZ2 LYS 6 -9.550 -4.906 4.976 68 HZ3 LYS 6 HZ3 LYS 6 -9.842 -3.896 3.665 69 H LEU 7 HN LEU 7 -6.646 0.181 -0.386 70 HA LEU 7 HA LEU 7 -5.589 -2.452 -0.941 71 HB2 LEU 7 HB2 LEU 7 -6.584 -0.288 -2.805 72 HB3 LEU 7 HB1 LEU 7 -5.975 -1.836 -3.344 73 HG LEU 7 HG LEU 7 -7.852 -2.904 -2.017 74 HD11 LEU 7 HD11 LEU 7 -8.447 -1.104 -0.557 75 HD12 LEU 7 HD12 LEU 7 -9.833 -1.546 -1.557 76 HD13 LEU 7 HD13 LEU 7 -8.903 -0.093 -1.925 77 HD21 LEU 7 HD21 LEU 7 -8.500 -1.135 -4.363 78 HD22 LEU 7 HD22 LEU 7 -9.552 -2.407 -3.750 79 HD23 LEU 7 HD23 LEU 7 -7.967 -2.819 -4.398 80 H ALA 8 HN ALA 8 -4.680 0.900 -1.227 81 HA ALA 8 HA ALA 8 -2.286 0.540 -2.638 82 HB1 ALA 8 HB1 ALA 8 -1.720 2.777 -1.930 83 HB2 ALA 8 HB2 ALA 8 -2.909 2.704 -0.638 84 HB3 ALA 8 HB3 ALA 8 -3.440 2.717 -2.322 85 H LEU 9 HN LEU 9 -3.060 0.250 0.775 86 HA LEU 9 HA LEU 9 -0.398 0.130 1.706 87 HB2 LEU 9 HB2 LEU 9 -2.357 0.581 3.154 88 HB3 LEU 9 HB1 LEU 9 -2.896 -1.065 2.915 89 HG LEU 9 HG LEU 9 -0.862 -1.876 4.056 90 HD11 LEU 9 HD11 LEU 9 0.634 -0.025 3.584 91 HD12 LEU 9 HD12 LEU 9 0.518 -0.299 5.321 92 HD13 LEU 9 HD13 LEU 9 -0.349 1.046 4.581 93 HD21 LEU 9 HD21 LEU 9 -2.507 0.101 5.630 94 HD22 LEU 9 HD22 LEU 9 -1.534 -1.203 6.311 95 HD23 LEU 9 HD23 LEU 9 -2.931 -1.581 5.304 96 H ARG 10 HN ARG 10 -2.533 -2.177 0.251 97 HA ARG 10 HA ARG 10 -1.069 -4.511 0.996 98 HB2 ARG 10 HB2 ARG 10 -2.839 -4.122 -1.413 99 HB3 ARG 10 HB1 ARG 10 -2.321 -5.665 -0.750 100 HG2 ARG 10 HG2 ARG 10 -3.558 -5.117 1.329 101 HG3 ARG 10 HG1 ARG 10 -4.159 -3.663 0.535 102 HD2 ARG 10 HD2 ARG 10 -4.646 -6.522 -0.275 103 HD3 ARG 10 HD1 ARG 10 -5.825 -5.372 0.348 104 HE ARG 10 HE ARG 10 -4.504 -4.542 -2.052 105 HH11 ARG 10 HH11 ARG 10 -7.279 -6.334 -0.764 106 HH12 ARG 10 HH12 ARG 10 -8.205 -6.206 -2.184 107 HH21 ARG 10 HH21 ARG 10 -5.771 -4.414 -4.039 108 HH22 ARG 10 HH22 ARG 10 -7.309 -5.122 -4.108 109 H LEU 11 HN LEU 11 -1.080 -2.327 -1.744 110 HA LEU 11 HA LEU 11 0.894 -3.634 -3.276 111 HB2 LEU 11 HB2 LEU 11 -0.589 -1.876 -4.182 112 HB3 LEU 11 HB1 LEU 11 0.193 -0.698 -3.157 113 HG LEU 11 HG LEU 11 2.306 -1.028 -4.389 114 HD11 LEU 11 HD11 LEU 11 0.666 -2.823 -6.171 115 HD12 LEU 11 HD12 LEU 11 2.005 -3.316 -5.133 116 HD13 LEU 11 HD13 LEU 11 2.301 -2.254 -6.506 117 HD21 LEU 11 HD21 LEU 11 1.608 0.093 -6.452 118 HD22 LEU 11 HD22 LEU 11 0.785 0.759 -5.042 119 HD23 LEU 11 HD23 LEU 11 -0.067 -0.347 -6.122 120 H ALA 12 HN ALA 12 1.043 -1.057 -0.878 121 HA ALA 12 HA ALA 12 3.837 -0.662 -0.955 122 HB1 ALA 12 HB1 ALA 12 3.547 0.578 1.118 123 HB2 ALA 12 HB2 ALA 12 1.931 -0.102 1.316 124 HB3 ALA 12 HB3 ALA 12 2.272 0.986 -0.030 125 H ALA 13 HN ALA 13 1.947 -3.130 0.463 126 HA ALA 13 HA ALA 13 3.959 -3.983 2.342 127 HB1 ALA 13 HB1 ALA 13 2.490 -5.920 2.687 128 HB2 ALA 13 HB2 ALA 13 1.494 -5.406 1.329 129 HB3 ALA 13 HB3 ALA 13 1.577 -4.412 2.781 130 H LYS 14 HN LYS 14 2.796 -4.854 -0.849 131 HA LYS 14 HA LYS 14 4.505 -7.099 -1.182 132 HB2 LYS 14 HB2 LYS 14 2.960 -5.465 -3.197 133 HB3 LYS 14 HB1 LYS 14 3.808 -6.958 -3.568 134 HG2 LYS 14 HG2 LYS 14 1.503 -6.666 -1.650 135 HG3 LYS 14 HG1 LYS 14 1.428 -7.354 -3.276 136 HD2 LYS 14 HD2 LYS 14 3.030 -9.087 -2.591 137 HD3 LYS 14 HD1 LYS 14 3.050 -8.410 -0.969 138 HE2 LYS 14 HE2 LYS 14 0.691 -8.887 -0.701 139 HE3 LYS 14 HE1 LYS 14 0.622 -9.523 -2.345 140 HZ1 LYS 14 HZ1 LYS 14 0.840 -11.289 -0.685 141 HZ2 LYS 14 HZ2 LYS 14 2.302 -10.632 -0.165 142 HZ3 LYS 14 HZ3 LYS 14 2.181 -11.260 -1.698 143 H ILE 15 HN ILE 15 4.728 -3.708 -2.029 144 HA ILE 15 HA ILE 15 7.235 -4.123 -3.369 145 HB ILE 15 HB ILE 15 5.958 -1.515 -2.464 146 HG12 ILE 15 HG12 ILE 15 4.552 -2.644 -4.120 147 HG13 ILE 15 HG11 ILE 15 5.297 -1.220 -4.829 148 HG21 ILE 15 HG21 ILE 15 7.499 -0.413 -4.036 149 HG22 ILE 15 HG22 ILE 15 8.251 -1.970 -4.379 150 HG23 ILE 15 HG23 ILE 15 8.367 -1.274 -2.762 151 HD11 ILE 15 HD11 ILE 15 5.286 -3.067 -6.395 152 HD12 ILE 15 HD12 ILE 15 6.154 -4.082 -5.247 153 HD13 ILE 15 HD13 ILE 15 6.944 -2.667 -5.947 154 H ALA 16 HN ALA 16 8.582 -5.037 -1.995 155 HA ALA 16 HA ALA 16 9.000 -3.948 0.648 156 HB1 ALA 16 HB1 ALA 16 10.440 -6.202 -0.760 157 HB2 ALA 16 HB2 ALA 16 9.021 -6.399 0.265 158 HB3 ALA 16 HB3 ALA 16 10.534 -5.812 0.956 159 HA PRO 17 HA PRO 17 12.435 -1.281 -0.305 160 HB2 PRO 17 HB2 PRO 17 13.880 -2.642 1.921 161 HB3 PRO 17 HB1 PRO 17 13.574 -0.915 1.687 162 HG2 PRO 17 HG2 PRO 17 12.211 -2.257 3.506 163 HG3 PRO 17 HG1 PRO 17 11.379 -1.084 2.469 164 HD2 PRO 17 HD2 PRO 17 11.427 -4.071 2.282 165 HD3 PRO 17 HD1 PRO 17 10.067 -2.946 2.076 166 H VAL 18 HN VAL 18 12.849 -4.678 0.016 167 HA VAL 18 HA VAL 18 15.373 -4.635 -1.436 168 HB VAL 18 HB VAL 18 15.506 -7.064 -0.940 169 HG11 VAL 18 HG11 VAL 18 15.916 -6.849 1.455 170 HG12 VAL 18 HG12 VAL 18 15.013 -5.335 1.474 171 HG13 VAL 18 HG13 VAL 18 16.523 -5.448 0.570 172 HG21 VAL 18 HG21 VAL 18 13.099 -7.562 -0.802 173 HG22 VAL 18 HG22 VAL 18 12.987 -6.606 0.676 174 HG23 VAL 18 HG23 VAL 18 13.944 -8.088 0.654 175 H TRP 19 HN TRP 19 15.645 -5.780 -3.358 176 HA TRP 19 HA TRP 19 15.191 -6.310 -5.443 177 HB2 TRP 19 HB2 TRP 19 12.709 -7.645 -4.306 178 HB3 TRP 19 HB1 TRP 19 13.443 -7.942 -5.881 179 HD1 TRP 19 HD1 TRP 19 13.526 -9.103 -2.353 180 HE1 TRP 19 HE1 TRP 19 15.409 -10.837 -2.023 181 HE3 TRP 19 HE3 TRP 19 15.998 -8.461 -6.775 182 HZ2 TRP 19 HZ2 TRP 19 17.643 -11.794 -3.452 183 HZ3 TRP 19 HZ3 TRP 19 17.999 -9.822 -7.212 184 HH2 TRP 19 HH2 TRP 19 18.799 -11.450 -5.583
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