NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27345 | 2rlh | 11003 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 -7.612 13.420 0.076 2 H2 ALA 1 2HT ALA 1 -6.821 14.551 -0.942 3 H3 ALA 1 3HT ALA 1 -6.394 14.441 0.717 4 HA ALA 1 HA ALA 1 -6.044 12.331 -1.303 5 HB1 ALA 1 1HB ALA 1 -3.807 12.902 -1.459 6 HB2 ALA 1 2HB ALA 1 -3.833 13.831 0.040 7 HB3 ALA 1 3HB ALA 1 -4.604 14.474 -1.409 8 H LEU 2 H LEU 2 -5.044 10.466 -0.551 9 HA LEU 2 HA LEU 2 -3.928 9.910 1.873 10 HB2 LEU 2 2HB LEU 2 -5.991 8.692 2.927 11 HB3 LEU 2 1HB LEU 2 -5.700 10.393 3.245 12 HG LEU 2 HG LEU 2 -7.310 10.287 0.927 13 HD11 LEU 2 1HD1 LEU 2 -9.308 9.116 1.912 14 HD12 LEU 2 2HD1 LEU 2 -8.206 8.393 3.083 15 HD13 LEU 2 3HD1 LEU 2 -8.002 8.065 1.361 16 HD21 LEU 2 1HD2 LEU 2 -7.476 11.268 3.702 17 HD22 LEU 2 2HD2 LEU 2 -9.013 11.061 2.862 18 HD23 LEU 2 3HD2 LEU 2 -7.769 12.108 2.180 19 H TYR 3 H TYR 3 -6.097 8.859 -0.616 20 HA TYR 3 HA TYR 3 -5.988 6.139 -0.384 21 HB2 TYR 3 2HB TYR 3 -6.432 6.077 -2.818 22 HB3 TYR 3 1HB TYR 3 -7.449 7.240 -1.974 23 HD1 TYR 3 1HD TYR 3 -4.219 7.050 -3.835 24 HD2 TYR 3 2HD TYR 3 -7.625 9.391 -2.819 25 HE1 TYR 3 1HE TYR 3 -3.454 8.816 -5.362 26 HE2 TYR 3 2HE TYR 3 -6.870 11.164 -4.348 27 HH TYR 3 HH TYR 3 -4.966 11.943 -5.475 28 H LYS 4 H LYS 4 -3.403 8.215 -0.939 29 HA LYS 4 HA LYS 4 -1.834 6.272 -2.399 30 HB2 LYS 4 2HB LYS 4 -0.078 7.984 -2.386 31 HB3 LYS 4 1HB LYS 4 -1.601 8.646 -2.968 32 HG2 LYS 4 2HG LYS 4 -1.232 8.940 -0.092 33 HG3 LYS 4 1HG LYS 4 -0.003 9.762 -1.055 34 HD2 LYS 4 2HD LYS 4 -1.695 10.969 -2.273 35 HD3 LYS 4 1HD LYS 4 -2.976 10.059 -1.470 36 HE2 LYS 4 2HE LYS 4 -3.038 11.652 0.081 37 HE3 LYS 4 1HE LYS 4 -1.429 11.142 0.590 38 HZ1 LYS 4 1HZ LYS 4 -0.425 12.818 -0.590 39 HZ2 LYS 4 2HZ LYS 4 -1.847 13.589 -0.094 40 HZ3 LYS 4 3HZ LYS 4 -1.712 13.000 -1.673 41 H LYS 5 H LYS 5 -2.470 7.193 0.825 42 HA LYS 5 HA LYS 5 -0.019 6.143 1.909 43 HB2 LYS 5 2HB LYS 5 -0.900 6.670 4.047 44 HB3 LYS 5 1HB LYS 5 -1.439 7.965 2.990 45 HG2 LYS 5 2HG LYS 5 -3.541 6.297 2.795 46 HG3 LYS 5 1HG LYS 5 -2.992 5.920 4.427 47 HD2 LYS 5 2HD LYS 5 -3.668 8.659 3.355 48 HD3 LYS 5 1HD LYS 5 -4.661 7.697 4.452 49 HE2 LYS 5 2HE LYS 5 -3.622 8.929 6.034 50 HE3 LYS 5 1HE LYS 5 -2.351 7.726 5.827 51 HZ1 LYS 5 1HZ LYS 5 -1.903 9.648 3.896 52 HZ2 LYS 5 2HZ LYS 5 -1.006 9.389 5.305 53 HZ3 LYS 5 3HZ LYS 5 -2.274 10.508 5.306 54 H PHE 6 H PHE 6 -3.413 5.120 1.547 55 HA PHE 6 HA PHE 6 -2.874 2.585 2.762 56 HB2 PHE 6 2HB PHE 6 -5.098 1.925 2.161 57 HB3 PHE 6 1HB PHE 6 -5.156 3.585 2.715 58 HD1 PHE 6 1HD PHE 6 -4.460 2.067 -0.654 59 HD2 PHE 6 2HD PHE 6 -6.866 4.660 1.713 60 HE1 PHE 6 1HE PHE 6 -5.716 2.724 -2.656 61 HE2 PHE 6 2HE PHE 6 -8.130 5.316 -0.290 62 HZ PHE 6 HZ PHE 6 -7.548 4.361 -2.476 63 H LYS 7 H LYS 7 -2.579 3.935 -0.375 64 HA LYS 7 HA LYS 7 -2.421 1.520 -1.844 65 HB2 LYS 7 2HB LYS 7 -2.842 3.579 -3.011 66 HB3 LYS 7 1HB LYS 7 -1.365 4.289 -2.381 67 HG2 LYS 7 2HG LYS 7 -0.607 1.948 -3.743 68 HG3 LYS 7 1HG LYS 7 -1.770 2.786 -4.774 69 HD2 LYS 7 2HD LYS 7 0.493 3.533 -5.262 70 HD3 LYS 7 1HD LYS 7 -0.455 4.848 -4.562 71 HE2 LYS 7 2HE LYS 7 0.580 3.882 -2.314 72 HE3 LYS 7 1HE LYS 7 1.834 3.334 -3.425 73 HZ1 LYS 7 1HZ LYS 7 2.463 5.456 -3.912 74 HZ2 LYS 7 2HZ LYS 7 1.953 5.680 -2.314 75 HZ3 LYS 7 3HZ LYS 7 0.938 6.120 -3.594 76 H LYS 8 H LYS 8 -0.222 3.417 0.057 77 HA LYS 8 HA LYS 8 2.194 2.289 -0.776 78 HB2 LYS 8 2HB LYS 8 1.287 3.837 1.539 79 HB3 LYS 8 1HB LYS 8 2.586 2.716 1.919 80 HG2 LYS 8 2HG LYS 8 3.208 4.089 -0.506 81 HG3 LYS 8 1HG LYS 8 2.773 5.260 0.741 82 HD2 LYS 8 2HD LYS 8 4.395 4.161 2.268 83 HD3 LYS 8 1HD LYS 8 4.879 3.106 0.939 84 HE2 LYS 8 2HE LYS 8 5.254 6.073 1.212 85 HE3 LYS 8 1HE LYS 8 6.477 4.827 0.970 86 HZ1 LYS 8 1HZ LYS 8 4.474 5.757 -1.012 87 HZ2 LYS 8 2HZ LYS 8 5.507 4.440 -1.254 88 HZ3 LYS 8 3HZ LYS 8 6.148 5.994 -1.070 89 H LYS 9 H LYS 9 -0.168 1.410 1.627 90 HA LYS 9 HA LYS 9 1.154 -0.923 2.537 91 HB2 LYS 9 2HB LYS 9 -1.775 -0.179 2.606 92 HB3 LYS 9 1HB LYS 9 -1.095 -1.575 3.428 93 HG2 LYS 9 2HG LYS 9 -0.462 -0.343 5.161 94 HG3 LYS 9 1HG LYS 9 0.343 0.829 4.117 95 HD2 LYS 9 2HD LYS 9 -1.361 2.276 4.253 96 HD3 LYS 9 1HD LYS 9 -2.567 1.011 4.011 97 HE2 LYS 9 2HE LYS 9 -1.221 0.939 6.618 98 HE3 LYS 9 1HE LYS 9 -2.186 2.387 6.332 99 HZ1 LYS 9 1HZ LYS 9 -3.037 -0.346 6.741 100 HZ2 LYS 9 2HZ LYS 9 -3.846 0.460 5.494 101 HZ3 LYS 9 3HZ LYS 9 -3.852 1.103 7.058 102 H LEU 10 H LEU 10 -0.662 -0.178 -0.282 103 HA LEU 10 HA LEU 10 -1.228 -2.952 -0.897 104 HB2 LEU 10 2HB LEU 10 -1.374 -0.585 -2.767 105 HB3 LEU 10 1HB LEU 10 -2.134 -2.152 -2.981 106 HG LEU 10 HG LEU 10 -2.839 -0.126 -0.876 107 HD11 LEU 10 1HD1 LEU 10 -4.854 0.252 -2.090 108 HD12 LEU 10 2HD1 LEU 10 -4.480 -1.044 -3.226 109 HD13 LEU 10 3HD1 LEU 10 -3.513 0.430 -3.221 110 HD21 LEU 10 1HD2 LEU 10 -4.877 -1.878 -0.871 111 HD22 LEU 10 2HD2 LEU 10 -3.491 -1.988 0.214 112 HD23 LEU 10 3HD2 LEU 10 -3.539 -2.960 -1.256 113 H LEU 11 H LEU 11 1.425 -0.942 -0.968 114 HA LEU 11 HA LEU 11 2.655 -2.016 -3.333 115 HB2 LEU 11 2HB LEU 11 4.016 -0.638 -1.017 116 HB3 LEU 11 1HB LEU 11 4.629 -0.818 -2.651 117 HG LEU 11 HG LEU 11 2.241 0.849 -1.857 118 HD11 LEU 11 1HD1 LEU 11 3.786 2.721 -2.583 119 HD12 LEU 11 2HD1 LEU 11 5.098 1.545 -2.499 120 HD13 LEU 11 3HD1 LEU 11 4.176 1.942 -1.049 121 HD21 LEU 11 1HD2 LEU 11 3.367 -0.006 -4.447 122 HD22 LEU 11 2HD2 LEU 11 2.945 1.701 -4.312 123 HD23 LEU 11 3HD2 LEU 11 1.721 0.465 -4.022 124 H LYS 12 H LYS 12 2.944 -2.405 0.164 125 HA LYS 12 HA LYS 12 4.813 -4.545 0.050 126 HB2 LYS 12 2HB LYS 12 4.797 -4.272 2.285 127 HB3 LYS 12 1HB LYS 12 3.581 -3.026 2.070 128 HG2 LYS 12 2HG LYS 12 2.177 -5.455 2.038 129 HG3 LYS 12 1HG LYS 12 3.364 -5.601 3.329 130 HD2 LYS 12 2HD LYS 12 2.513 -3.183 3.932 131 HD3 LYS 12 1HD LYS 12 1.082 -3.706 3.042 132 HE2 LYS 12 2HE LYS 12 2.215 -5.525 5.106 133 HE3 LYS 12 1HE LYS 12 1.314 -4.107 5.640 134 HZ1 LYS 12 1HZ LYS 12 -0.622 -4.958 4.914 135 HZ2 LYS 12 2HZ LYS 12 0.181 -6.440 5.058 136 HZ3 LYS 12 3HZ LYS 12 0.063 -5.687 3.550 137 H SER 13 H SER 13 1.333 -4.285 -0.143 138 HA SER 13 HA SER 13 0.886 -7.111 0.019 139 HB2 SER 13 2HB SER 13 -0.919 -5.688 0.700 140 HB3 SER 13 1HB SER 13 -0.864 -4.802 -0.823 141 HG SER 13 HG SER 13 -1.637 -6.616 -1.877 142 H LEU 14 H LEU 14 1.679 -4.833 -2.453 143 HA LEU 14 HA LEU 14 0.765 -6.369 -4.639 144 HB2 LEU 14 2HB LEU 14 1.284 -4.452 -5.660 145 HB3 LEU 14 1HB LEU 14 2.147 -3.896 -4.241 146 HG LEU 14 HG LEU 14 3.626 -5.759 -6.008 147 HD11 LEU 14 1HD1 LEU 14 2.363 -4.247 -7.563 148 HD12 LEU 14 2HD1 LEU 14 4.120 -4.155 -7.685 149 HD13 LEU 14 3HD1 LEU 14 3.228 -2.893 -6.834 150 HD21 LEU 14 1HD2 LEU 14 4.251 -3.262 -4.455 151 HD22 LEU 14 2HD2 LEU 14 5.405 -4.017 -5.553 152 HD23 LEU 14 3HD2 LEU 14 4.809 -4.908 -4.154 153 H LYS 15 H LYS 15 3.596 -6.432 -2.631 154 HA LYS 15 HA LYS 15 5.073 -8.174 -4.376 155 HB2 LYS 15 2HB LYS 15 6.250 -6.623 -2.904 156 HB3 LYS 15 1HB LYS 15 5.545 -7.400 -1.494 157 HG2 LYS 15 2HG LYS 15 7.170 -9.027 -3.393 158 HG3 LYS 15 1HG LYS 15 7.978 -7.964 -2.241 159 HD2 LYS 15 2HD LYS 15 6.420 -9.106 -0.497 160 HD3 LYS 15 1HD LYS 15 6.263 -10.362 -1.725 161 HE2 LYS 15 2HE LYS 15 8.768 -9.416 -0.354 162 HE3 LYS 15 1HE LYS 15 8.032 -11.017 -0.280 163 HZ1 LYS 15 1HZ LYS 15 9.473 -11.524 -1.886 164 HZ2 LYS 15 2HZ LYS 15 9.808 -9.906 -2.251 165 HZ3 LYS 15 3HZ LYS 15 8.455 -10.663 -2.929 166 H ARG 16 H ARG 16 4.225 -8.748 -0.977 167 HA ARG 16 HA ARG 16 4.024 -11.587 -1.539 168 HB2 ARG 16 2HB ARG 16 5.340 -10.800 0.389 169 HB3 ARG 16 1HB ARG 16 3.882 -10.121 1.100 170 HG2 ARG 16 2HG ARG 16 4.766 -12.446 1.877 171 HG3 ARG 16 1HG ARG 16 3.033 -12.175 1.674 172 HD2 ARG 16 2HD ARG 16 3.242 -13.118 -0.630 173 HD3 ARG 16 1HD ARG 16 4.907 -13.541 -0.248 174 HE ARG 16 HE ARG 16 3.248 -14.619 1.728 175 HH11 ARG 16 1HH1 ARG 16 3.920 -15.007 -1.673 176 HH12 ARG 16 2HH1 ARG 16 3.500 -16.686 -1.694 177 HH21 ARG 16 1HH2 ARG 16 2.701 -16.833 1.707 178 HH22 ARG 16 2HH2 ARG 16 2.808 -17.726 0.226 179 H LEU 17 H LEU 17 1.813 -9.192 -1.767 180 HA LEU 17 HA LEU 17 -0.476 -9.305 -1.996 181 HB2 LEU 17 2HB LEU 17 -1.508 -11.291 -2.199 182 HB3 LEU 17 1HB LEU 17 0.115 -11.944 -2.118 183 HG LEU 17 HG LEU 17 -0.499 -11.915 0.515 184 HD11 LEU 17 1HD1 LEU 17 -2.688 -12.074 1.004 185 HD12 LEU 17 2HD1 LEU 17 -3.065 -12.942 -0.485 186 HD13 LEU 17 3HD1 LEU 17 -2.892 -11.188 -0.509 187 HD21 LEU 17 1HD2 LEU 17 0.293 -13.917 -0.211 188 HD22 LEU 17 2HD2 LEU 17 -0.731 -13.928 -1.647 189 HD23 LEU 17 3HD2 LEU 17 -1.412 -14.342 -0.073 190 H GLY 18 H GLY 18 1.322 -8.788 0.424 191 HA2 GLY 18 2HA GLY 18 0.761 -7.502 2.316 192 HA3 GLY 18 1HA GLY 18 -0.883 -8.117 2.225 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 -7.399 13.622 0.557 2 H2 ALA 1 2HT ALA 1 -6.961 14.704 -0.701 3 H3 ALA 1 3HT ALA 1 -6.199 14.815 0.833 4 HA ALA 1 HA ALA 1 -5.987 12.637 -1.132 5 HB1 ALA 1 1HB ALA 1 -4.071 13.563 -1.793 6 HB2 ALA 1 2HB ALA 1 -3.572 13.929 -0.142 7 HB3 ALA 1 3HB ALA 1 -4.653 15.026 -1.001 8 H LEU 2 H LEU 2 -4.933 10.763 -0.490 9 HA LEU 2 HA LEU 2 -3.464 10.237 1.741 10 HB2 LEU 2 2HB LEU 2 -5.381 9.066 3.112 11 HB3 LEU 2 1HB LEU 2 -4.943 10.739 3.398 12 HG LEU 2 HG LEU 2 -6.945 10.807 1.413 13 HD11 LEU 2 1HD1 LEU 2 -7.814 9.061 3.700 14 HD12 LEU 2 2HD1 LEU 2 -7.436 8.463 2.086 15 HD13 LEU 2 3HD1 LEU 2 -8.775 9.586 2.316 16 HD21 LEU 2 1HD2 LEU 2 -7.731 12.403 2.761 17 HD22 LEU 2 2HD2 LEU 2 -6.334 12.071 3.785 18 HD23 LEU 2 3HD2 LEU 2 -7.882 11.295 4.123 19 H TYR 3 H TYR 3 -6.033 9.228 -0.309 20 HA TYR 3 HA TYR 3 -6.147 6.529 -0.136 21 HB2 TYR 3 2HB TYR 3 -6.842 8.498 -2.020 22 HB3 TYR 3 1HB TYR 3 -5.948 7.269 -2.910 23 HD1 TYR 3 2HD TYR 3 -6.661 4.779 -2.195 24 HD2 TYR 3 1HD TYR 3 -9.093 8.246 -1.920 25 HE1 TYR 3 2HE TYR 3 -8.657 3.368 -2.244 26 HE2 TYR 3 1HE TYR 3 -11.102 6.857 -1.963 27 HH TYR 3 HH TYR 3 -11.682 4.418 -1.365 28 H LYS 4 H LYS 4 -3.505 8.424 -1.231 29 HA LYS 4 HA LYS 4 -2.215 6.318 -2.645 30 HB2 LYS 4 2HB LYS 4 -0.294 7.935 -2.690 31 HB3 LYS 4 1HB LYS 4 -1.810 8.509 -3.374 32 HG2 LYS 4 2HG LYS 4 -1.622 9.178 -0.584 33 HG3 LYS 4 1HG LYS 4 -0.249 9.806 -1.504 34 HD2 LYS 4 2HD LYS 4 -1.571 11.111 -2.856 35 HD3 LYS 4 1HD LYS 4 -2.992 10.086 -2.633 36 HE2 LYS 4 2HE LYS 4 -3.649 11.777 -1.316 37 HE3 LYS 4 1HE LYS 4 -2.662 10.936 -0.124 38 HZ1 LYS 4 1HZ LYS 4 -0.790 12.429 -1.126 39 HZ2 LYS 4 2HZ LYS 4 -1.839 13.050 0.044 40 HZ3 LYS 4 3HZ LYS 4 -2.086 13.414 -1.588 41 H LYS 5 H LYS 5 -2.240 7.399 0.646 42 HA LYS 5 HA LYS 5 0.176 6.034 1.378 43 HB2 LYS 5 2HB LYS 5 -0.349 6.555 3.638 44 HB3 LYS 5 1HB LYS 5 -0.809 7.953 2.685 45 HG2 LYS 5 2HG LYS 5 -3.132 6.495 2.784 46 HG3 LYS 5 1HG LYS 5 -2.423 6.224 4.375 47 HD2 LYS 5 2HD LYS 5 -2.017 8.858 4.171 48 HD3 LYS 5 1HD LYS 5 -3.443 8.715 3.149 49 HE2 LYS 5 2HE LYS 5 -4.802 8.183 4.882 50 HE3 LYS 5 1HE LYS 5 -3.539 7.296 5.735 51 HZ1 LYS 5 1HZ LYS 5 -3.342 10.221 5.520 52 HZ2 LYS 5 2HZ LYS 5 -2.756 9.191 6.727 53 HZ3 LYS 5 3HZ LYS 5 -4.407 9.550 6.654 54 H PHE 6 H PHE 6 -3.273 5.350 1.311 55 HA PHE 6 HA PHE 6 -3.095 2.836 2.609 56 HB2 PHE 6 2HB PHE 6 -5.098 3.461 0.444 57 HB3 PHE 6 1HB PHE 6 -5.293 2.389 1.824 58 HD1 PHE 6 1HD PHE 6 -4.084 4.375 3.862 59 HD2 PHE 6 2HD PHE 6 -7.048 4.736 0.831 60 HE1 PHE 6 1HE PHE 6 -5.144 6.208 5.119 61 HE2 PHE 6 2HE PHE 6 -8.105 6.571 2.077 62 HZ PHE 6 HZ PHE 6 -7.149 7.313 4.219 63 H LYS 7 H LYS 7 -2.497 3.960 -0.600 64 HA LYS 7 HA LYS 7 -2.358 1.445 -1.894 65 HB2 LYS 7 2HB LYS 7 -1.667 4.244 -2.533 66 HB3 LYS 7 1HB LYS 7 -0.694 3.034 -3.358 67 HG2 LYS 7 2HG LYS 7 -2.668 3.790 -4.646 68 HG3 LYS 7 1HG LYS 7 -2.635 2.051 -4.352 69 HD2 LYS 7 2HD LYS 7 -4.013 3.372 -2.211 70 HD3 LYS 7 1HD LYS 7 -4.701 3.866 -3.758 71 HE2 LYS 7 2HE LYS 7 -5.314 1.700 -4.320 72 HE3 LYS 7 1HE LYS 7 -4.162 0.980 -3.196 73 HZ1 LYS 7 1HZ LYS 7 -6.543 2.522 -2.329 74 HZ2 LYS 7 2HZ LYS 7 -5.523 1.582 -1.364 75 HZ3 LYS 7 3HZ LYS 7 -6.532 0.836 -2.496 76 H LYS 8 H LYS 8 -0.224 3.338 0.058 77 HA LYS 8 HA LYS 8 2.240 2.207 -0.587 78 HB2 LYS 8 2HB LYS 8 1.144 3.621 1.769 79 HB3 LYS 8 1HB LYS 8 2.599 2.678 2.028 80 HG2 LYS 8 2HG LYS 8 2.770 5.182 1.417 81 HG3 LYS 8 1HG LYS 8 3.875 4.024 0.672 82 HD2 LYS 8 2HD LYS 8 3.018 4.359 -1.384 83 HD3 LYS 8 1HD LYS 8 1.362 4.412 -0.781 84 HE2 LYS 8 2HE LYS 8 1.727 6.711 -0.002 85 HE3 LYS 8 1HE LYS 8 3.372 6.659 -0.631 86 HZ1 LYS 8 1HZ LYS 8 1.028 6.189 -2.371 87 HZ2 LYS 8 2HZ LYS 8 2.603 6.605 -2.821 88 HZ3 LYS 8 3HZ LYS 8 1.610 7.749 -2.070 89 H LYS 9 H LYS 9 -0.155 1.341 1.788 90 HA LYS 9 HA LYS 9 1.178 -0.964 2.751 91 HB2 LYS 9 2HB LYS 9 -1.808 -0.562 2.776 92 HB3 LYS 9 1HB LYS 9 -0.836 -1.486 3.912 93 HG2 LYS 9 2HG LYS 9 -0.376 0.304 5.162 94 HG3 LYS 9 1HG LYS 9 -0.095 1.333 3.757 95 HD2 LYS 9 2HD LYS 9 -1.978 2.320 4.603 96 HD3 LYS 9 1HD LYS 9 -2.714 1.138 3.517 97 HE2 LYS 9 2HE LYS 9 -2.186 0.576 6.425 98 HE3 LYS 9 1HE LYS 9 -3.692 1.293 5.849 99 HZ1 LYS 9 1HZ LYS 9 -3.427 -0.831 4.228 100 HZ2 LYS 9 2HZ LYS 9 -4.336 -0.827 5.654 101 HZ3 LYS 9 3HZ LYS 9 -2.757 -1.433 5.660 102 H LEU 10 H LEU 10 -0.715 -0.282 -0.015 103 HA LEU 10 HA LEU 10 -1.281 -3.052 -0.602 104 HB2 LEU 10 2HB LEU 10 -1.880 -0.432 -1.841 105 HB3 LEU 10 1HB LEU 10 -1.723 -1.781 -2.951 106 HG LEU 10 HG LEU 10 -3.343 -2.823 -1.009 107 HD11 LEU 10 1HD1 LEU 10 -3.995 0.093 -1.344 108 HD12 LEU 10 2HD1 LEU 10 -3.665 -0.776 0.154 109 HD13 LEU 10 3HD1 LEU 10 -5.144 -1.105 -0.748 110 HD21 LEU 10 1HD2 LEU 10 -5.194 -2.181 -2.722 111 HD22 LEU 10 2HD2 LEU 10 -3.897 -3.275 -3.204 112 HD23 LEU 10 3HD2 LEU 10 -3.840 -1.578 -3.678 113 H LEU 11 H LEU 11 1.381 -1.052 -0.770 114 HA LEU 11 HA LEU 11 2.543 -2.154 -3.170 115 HB2 LEU 11 2HB LEU 11 4.047 -0.842 -0.913 116 HB3 LEU 11 1HB LEU 11 4.524 -0.971 -2.598 117 HG LEU 11 HG LEU 11 2.210 0.685 -1.594 118 HD11 LEU 11 1HD1 LEU 11 5.055 1.399 -2.276 119 HD12 LEU 11 2HD1 LEU 11 4.193 1.693 -0.767 120 HD13 LEU 11 3HD1 LEU 11 3.759 2.592 -2.222 121 HD21 LEU 11 1HD2 LEU 11 3.321 0.062 -4.279 122 HD22 LEU 11 2HD2 LEU 11 2.798 1.718 -3.978 123 HD23 LEU 11 3HD2 LEU 11 1.658 0.385 -3.787 124 H LYS 12 H LYS 12 2.849 -2.523 0.316 125 HA LYS 12 HA LYS 12 4.755 -4.622 0.234 126 HB2 LYS 12 2HB LYS 12 4.754 -4.127 2.424 127 HB3 LYS 12 1HB LYS 12 3.302 -3.164 2.230 128 HG2 LYS 12 2HG LYS 12 3.074 -6.126 2.508 129 HG3 LYS 12 1HG LYS 12 3.373 -5.128 3.928 130 HD2 LYS 12 2HD LYS 12 1.374 -3.801 3.413 131 HD3 LYS 12 1HD LYS 12 1.066 -4.820 2.008 132 HE2 LYS 12 2HE LYS 12 1.098 -6.767 3.699 133 HE3 LYS 12 1HE LYS 12 0.888 -5.508 4.917 134 HZ1 LYS 12 1HZ LYS 12 -1.105 -4.776 3.690 135 HZ2 LYS 12 2HZ LYS 12 -1.246 -6.352 4.283 136 HZ3 LYS 12 3HZ LYS 12 -0.931 -6.092 2.644 137 H SER 13 H SER 13 1.280 -4.485 -0.061 138 HA SER 13 HA SER 13 1.004 -7.375 0.080 139 HB2 SER 13 2HB SER 13 -1.330 -7.017 -0.134 140 HB3 SER 13 1HB SER 13 -0.771 -5.638 0.813 141 HG SER 13 HG SER 13 -1.397 -5.709 -1.948 142 H LEU 14 H LEU 14 1.664 -4.943 -2.247 143 HA LEU 14 HA LEU 14 0.738 -6.351 -4.536 144 HB2 LEU 14 2HB LEU 14 1.093 -4.306 -5.368 145 HB3 LEU 14 1HB LEU 14 2.025 -3.844 -3.962 146 HG LEU 14 HG LEU 14 3.502 -5.480 -5.925 147 HD11 LEU 14 1HD1 LEU 14 2.181 -4.163 -7.469 148 HD12 LEU 14 2HD1 LEU 14 3.848 -3.588 -7.453 149 HD13 LEU 14 3HD1 LEU 14 2.596 -2.687 -6.598 150 HD21 LEU 14 1HD2 LEU 14 3.982 -3.049 -4.239 151 HD22 LEU 14 2HD2 LEU 14 5.116 -3.527 -5.505 152 HD23 LEU 14 3HD2 LEU 14 4.768 -4.624 -4.167 153 H LYS 15 H LYS 15 3.639 -6.317 -2.608 154 HA LYS 15 HA LYS 15 5.219 -7.813 -4.474 155 HB2 LYS 15 2HB LYS 15 6.318 -6.354 -2.881 156 HB3 LYS 15 1HB LYS 15 5.599 -7.225 -1.532 157 HG2 LYS 15 2HG LYS 15 7.300 -8.735 -3.449 158 HG3 LYS 15 1HG LYS 15 8.078 -7.666 -2.278 159 HD2 LYS 15 2HD LYS 15 6.474 -8.905 -0.593 160 HD3 LYS 15 1HD LYS 15 6.504 -10.158 -1.836 161 HE2 LYS 15 2HE LYS 15 8.974 -8.936 -0.610 162 HE3 LYS 15 1HE LYS 15 8.225 -10.426 -0.042 163 HZ1 LYS 15 1HZ LYS 15 8.649 -11.461 -2.133 164 HZ2 LYS 15 2HZ LYS 15 10.098 -10.772 -1.600 165 HZ3 LYS 15 3HZ LYS 15 9.199 -10.013 -2.814 166 H ARG 16 H ARG 16 4.114 -8.687 -1.186 167 HA ARG 16 HA ARG 16 4.308 -11.485 -1.924 168 HB2 ARG 16 2HB ARG 16 5.237 -10.599 0.220 169 HB3 ARG 16 1HB ARG 16 3.585 -10.354 0.771 170 HG2 ARG 16 2HG ARG 16 4.916 -12.537 1.383 171 HG3 ARG 16 1HG ARG 16 3.188 -12.594 1.027 172 HD2 ARG 16 2HD ARG 16 3.699 -13.208 -1.289 173 HD3 ARG 16 1HD ARG 16 5.419 -13.178 -0.915 174 HE ARG 16 HE ARG 16 4.458 -14.953 0.872 175 HH11 ARG 16 1HH1 ARG 16 4.090 -14.640 -2.586 176 HH12 ARG 16 2HH1 ARG 16 3.897 -16.341 -2.848 177 HH21 ARG 16 1HH2 ARG 16 4.210 -17.201 0.526 178 HH22 ARG 16 2HH2 ARG 16 3.964 -17.793 -1.083 179 H LEU 17 H LEU 17 1.872 -9.329 -2.264 180 HA LEU 17 HA LEU 17 -0.327 -9.669 -2.843 181 HB2 LEU 17 2HB LEU 17 -1.092 -11.729 -3.333 182 HB3 LEU 17 1HB LEU 17 0.587 -12.172 -3.125 183 HG LEU 17 HG LEU 17 -0.318 -12.518 -0.588 184 HD11 LEU 17 1HD1 LEU 17 -2.500 -13.037 -0.419 185 HD12 LEU 17 2HD1 LEU 17 -2.546 -13.802 -2.009 186 HD13 LEU 17 3HD1 LEU 17 -2.660 -12.048 -1.871 187 HD21 LEU 17 1HD2 LEU 17 0.230 -14.667 -0.959 188 HD22 LEU 17 2HD2 LEU 17 0.768 -14.060 -2.525 189 HD23 LEU 17 3HD2 LEU 17 -0.824 -14.808 -2.367 190 H GLY 18 H GLY 18 0.951 -9.189 -0.070 191 HA2 GLY 18 2HA GLY 18 -0.271 -8.094 1.673 192 HA3 GLY 18 1HA GLY 18 -1.619 -9.177 1.361 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 -6.500 11.605 -1.449 2 H2 ALA 1 2HT ALA 1 -4.907 11.841 -2.041 3 H3 ALA 1 3HT ALA 1 -6.122 13.008 -2.361 4 HA ALA 1 HA ALA 1 -4.486 13.560 -0.601 5 HB1 ALA 1 1HB ALA 1 -6.784 14.564 -0.972 6 HB2 ALA 1 2HB ALA 1 -6.099 14.734 0.644 7 HB3 ALA 1 3HB ALA 1 -7.339 13.518 0.334 8 H LEU 2 H LEU 2 -4.957 10.524 -0.543 9 HA LEU 2 HA LEU 2 -3.806 9.932 1.863 10 HB2 LEU 2 2HB LEU 2 -5.952 8.792 2.890 11 HB3 LEU 2 1HB LEU 2 -5.484 10.433 3.301 12 HG LEU 2 HG LEU 2 -7.155 10.598 1.012 13 HD11 LEU 2 1HD1 LEU 2 -8.723 9.243 3.133 14 HD12 LEU 2 2HD1 LEU 2 -7.772 8.238 2.039 15 HD13 LEU 2 3HD1 LEU 2 -8.999 9.328 1.392 16 HD21 LEU 2 1HD2 LEU 2 -7.588 12.401 2.240 17 HD22 LEU 2 2HD2 LEU 2 -6.968 11.640 3.705 18 HD23 LEU 2 3HD2 LEU 2 -8.643 11.382 3.222 19 H TYR 3 H TYR 3 -6.144 8.937 -0.511 20 HA TYR 3 HA TYR 3 -6.113 6.216 -0.237 21 HB2 TYR 3 2HB TYR 3 -6.574 6.106 -2.679 22 HB3 TYR 3 1HB TYR 3 -7.576 7.284 -1.837 23 HD1 TYR 3 1HD TYR 3 -4.325 7.098 -3.677 24 HD2 TYR 3 2HD TYR 3 -7.806 9.377 -2.779 25 HE1 TYR 3 1HE TYR 3 -3.592 8.833 -5.261 26 HE2 TYR 3 2HE TYR 3 -7.080 11.118 -4.359 27 HH TYR 3 HH TYR 3 -4.815 11.892 -5.334 28 H LYS 4 H LYS 4 -3.578 8.287 -1.191 29 HA LYS 4 HA LYS 4 -2.038 6.293 -2.541 30 HB2 LYS 4 2HB LYS 4 -0.217 8.015 -2.402 31 HB3 LYS 4 1HB LYS 4 -1.687 8.571 -3.185 32 HG2 LYS 4 2HG LYS 4 -1.819 9.114 -0.375 33 HG3 LYS 4 1HG LYS 4 -0.324 9.765 -1.053 34 HD2 LYS 4 2HD LYS 4 -1.644 10.889 -2.808 35 HD3 LYS 4 1HD LYS 4 -3.123 10.280 -2.064 36 HE2 LYS 4 2HE LYS 4 -2.952 11.684 -0.250 37 HE3 LYS 4 1HE LYS 4 -1.199 11.828 -0.396 38 HZ1 LYS 4 1HZ LYS 4 -1.585 13.147 -2.442 39 HZ2 LYS 4 2HZ LYS 4 -2.183 13.883 -1.042 40 HZ3 LYS 4 3HZ LYS 4 -3.245 13.119 -2.114 41 H LYS 5 H LYS 5 -2.466 7.332 0.723 42 HA LYS 5 HA LYS 5 -0.031 6.192 1.703 43 HB2 LYS 5 2HB LYS 5 -0.765 6.750 3.864 44 HB3 LYS 5 1HB LYS 5 -1.404 8.025 2.842 45 HG2 LYS 5 2HG LYS 5 -3.439 6.159 2.897 46 HG3 LYS 5 1HG LYS 5 -2.790 6.126 4.533 47 HD2 LYS 5 2HD LYS 5 -3.353 8.731 3.185 48 HD3 LYS 5 1HD LYS 5 -4.667 7.814 3.922 49 HE2 LYS 5 2HE LYS 5 -4.045 8.406 5.981 50 HE3 LYS 5 1HE LYS 5 -2.356 8.013 5.666 51 HZ1 LYS 5 1HZ LYS 5 -3.282 10.492 6.073 52 HZ2 LYS 5 2HZ LYS 5 -3.299 10.427 4.384 53 HZ3 LYS 5 3HZ LYS 5 -1.861 10.138 5.227 54 H PHE 6 H PHE 6 -3.418 5.170 1.402 55 HA PHE 6 HA PHE 6 -2.819 2.665 2.637 56 HB2 PHE 6 2HB PHE 6 -5.050 1.942 2.082 57 HB3 PHE 6 1HB PHE 6 -5.100 3.567 2.732 58 HD1 PHE 6 1HD PHE 6 -4.498 2.399 -0.789 59 HD2 PHE 6 2HD PHE 6 -6.988 4.505 1.946 60 HE1 PHE 6 1HE PHE 6 -5.943 3.112 -2.645 61 HE2 PHE 6 2HE PHE 6 -8.427 5.223 0.090 62 HZ PHE 6 HZ PHE 6 -7.901 4.530 -2.207 63 H LYS 7 H LYS 7 -2.365 3.991 -0.437 64 HA LYS 7 HA LYS 7 -2.304 1.539 -1.909 65 HB2 LYS 7 2HB LYS 7 -2.095 4.300 -2.515 66 HB3 LYS 7 1HB LYS 7 -0.603 3.548 -3.063 67 HG2 LYS 7 2HG LYS 7 -2.273 3.622 -4.833 68 HG3 LYS 7 1HG LYS 7 -1.871 1.960 -4.398 69 HD2 LYS 7 2HD LYS 7 -4.083 3.022 -2.844 70 HD3 LYS 7 1HD LYS 7 -4.408 3.040 -4.577 71 HE2 LYS 7 2HE LYS 7 -4.100 0.713 -4.762 72 HE3 LYS 7 1HE LYS 7 -3.332 0.605 -3.182 73 HZ1 LYS 7 1HZ LYS 7 -5.658 -0.203 -3.242 74 HZ2 LYS 7 2HZ LYS 7 -6.168 1.371 -3.592 75 HZ3 LYS 7 3HZ LYS 7 -5.405 1.040 -2.120 76 H LYS 8 H LYS 8 -0.139 3.404 0.042 77 HA LYS 8 HA LYS 8 2.324 2.283 -0.689 78 HB2 LYS 8 2HB LYS 8 1.236 3.690 1.678 79 HB3 LYS 8 1HB LYS 8 2.686 2.735 1.945 80 HG2 LYS 8 2HG LYS 8 3.107 5.120 1.453 81 HG3 LYS 8 1HG LYS 8 3.897 4.009 0.331 82 HD2 LYS 8 2HD LYS 8 1.517 4.424 -0.908 83 HD3 LYS 8 1HD LYS 8 1.780 5.987 -0.138 84 HE2 LYS 8 2HE LYS 8 4.049 6.040 -1.158 85 HE3 LYS 8 1HE LYS 8 3.648 4.558 -2.028 86 HZ1 LYS 8 1HZ LYS 8 2.802 7.282 -2.522 87 HZ2 LYS 8 2HZ LYS 8 1.573 6.127 -2.657 88 HZ3 LYS 8 3HZ LYS 8 2.971 5.989 -3.599 89 H LYS 9 H LYS 9 0.002 1.492 1.777 90 HA LYS 9 HA LYS 9 1.282 -0.853 2.691 91 HB2 LYS 9 2HB LYS 9 -1.693 -0.331 2.785 92 HB3 LYS 9 1HB LYS 9 -0.752 -1.351 3.867 93 HG2 LYS 9 2HG LYS 9 -0.091 0.376 5.141 94 HG3 LYS 9 1HG LYS 9 0.087 1.463 3.762 95 HD2 LYS 9 2HD LYS 9 -1.732 2.449 4.672 96 HD3 LYS 9 1HD LYS 9 -2.583 1.186 3.782 97 HE2 LYS 9 2HE LYS 9 -1.662 0.306 6.400 98 HE3 LYS 9 1HE LYS 9 -2.773 1.673 6.490 99 HZ1 LYS 9 1HZ LYS 9 -3.608 -0.818 6.380 100 HZ2 LYS 9 2HZ LYS 9 -3.507 -0.526 4.717 101 HZ3 LYS 9 3HZ LYS 9 -4.484 0.454 5.688 102 H LEU 10 H LEU 10 -0.595 -0.145 -0.080 103 HA LEU 10 HA LEU 10 -1.233 -2.910 -0.637 104 HB2 LEU 10 2HB LEU 10 -2.703 -1.054 -1.392 105 HB3 LEU 10 1HB LEU 10 -1.411 -0.479 -2.428 106 HG LEU 10 HG LEU 10 -2.209 -3.290 -2.841 107 HD11 LEU 10 1HD1 LEU 10 -4.288 -1.598 -2.477 108 HD12 LEU 10 2HD1 LEU 10 -4.315 -2.990 -3.558 109 HD13 LEU 10 3HD1 LEU 10 -3.980 -1.381 -4.201 110 HD21 LEU 10 1HD2 LEU 10 -2.217 -2.097 -5.249 111 HD22 LEU 10 2HD2 LEU 10 -0.758 -2.710 -4.471 112 HD23 LEU 10 3HD2 LEU 10 -1.159 -0.996 -4.368 113 H LEU 11 H LEU 11 1.466 -0.944 -0.837 114 HA LEU 11 HA LEU 11 2.626 -2.068 -3.217 115 HB2 LEU 11 2HB LEU 11 4.075 -0.763 -0.913 116 HB3 LEU 11 1HB LEU 11 4.644 -0.943 -2.563 117 HG LEU 11 HG LEU 11 2.324 0.788 -1.713 118 HD11 LEU 11 1HD1 LEU 11 5.210 1.395 -2.299 119 HD12 LEU 11 2HD1 LEU 11 4.257 1.839 -0.882 120 HD13 LEU 11 3HD1 LEU 11 3.948 2.618 -2.433 121 HD21 LEU 11 1HD2 LEU 11 2.667 -0.309 -4.146 122 HD22 LEU 11 2HD2 LEU 11 3.652 1.143 -4.322 123 HD23 LEU 11 3HD2 LEU 11 1.948 1.280 -3.885 124 H LYS 12 H LYS 12 2.963 -2.467 0.269 125 HA LYS 12 HA LYS 12 4.788 -4.631 0.152 126 HB2 LYS 12 2HB LYS 12 4.801 -4.131 2.347 127 HB3 LYS 12 1HB LYS 12 3.342 -3.172 2.174 128 HG2 LYS 12 2HG LYS 12 3.061 -6.128 2.363 129 HG3 LYS 12 1HG LYS 12 3.473 -5.221 3.816 130 HD2 LYS 12 2HD LYS 12 1.501 -3.818 3.517 131 HD3 LYS 12 1HD LYS 12 1.099 -4.685 2.033 132 HE2 LYS 12 2HE LYS 12 1.250 -6.770 3.679 133 HE3 LYS 12 1HE LYS 12 0.838 -5.532 4.866 134 HZ1 LYS 12 1HZ LYS 12 -1.214 -5.211 3.957 135 HZ2 LYS 12 2HZ LYS 12 -1.008 -6.850 3.596 136 HZ3 LYS 12 3HZ LYS 12 -0.740 -5.681 2.402 137 H SER 13 H SER 13 1.324 -4.345 -0.117 138 HA SER 13 HA SER 13 0.847 -7.182 0.023 139 HB2 SER 13 2HB SER 13 -1.425 -6.654 -0.307 140 HB3 SER 13 1HB SER 13 -0.811 -5.235 0.543 141 HG SER 13 HG SER 13 -1.364 -5.526 -2.216 142 H LEU 14 H LEU 14 1.714 -4.867 -2.401 143 HA LEU 14 HA LEU 14 0.819 -6.365 -4.637 144 HB2 LEU 14 2HB LEU 14 1.303 -4.421 -5.607 145 HB3 LEU 14 1HB LEU 14 2.136 -3.877 -4.168 146 HG LEU 14 HG LEU 14 3.710 -5.655 -5.926 147 HD11 LEU 14 1HD1 LEU 14 2.522 -4.360 -7.605 148 HD12 LEU 14 2HD1 LEU 14 4.218 -3.883 -7.523 149 HD13 LEU 14 3HD1 LEU 14 2.976 -2.865 -6.791 150 HD21 LEU 14 1HD2 LEU 14 4.142 -3.173 -4.308 151 HD22 LEU 14 2HD2 LEU 14 5.338 -3.708 -5.489 152 HD23 LEU 14 3HD2 LEU 14 4.897 -4.757 -4.141 153 H LYS 15 H LYS 15 3.624 -6.454 -2.593 154 HA LYS 15 HA LYS 15 5.192 -8.067 -4.378 155 HB2 LYS 15 2HB LYS 15 6.262 -6.596 -2.741 156 HB3 LYS 15 1HB LYS 15 5.512 -7.497 -1.430 157 HG2 LYS 15 2HG LYS 15 7.195 -9.009 -3.349 158 HG3 LYS 15 1HG LYS 15 8.004 -7.947 -2.192 159 HD2 LYS 15 2HD LYS 15 6.364 -9.157 -0.496 160 HD3 LYS 15 1HD LYS 15 6.418 -10.422 -1.727 161 HE2 LYS 15 2HE LYS 15 8.750 -9.231 -0.228 162 HE3 LYS 15 1HE LYS 15 8.121 -10.874 -0.095 163 HZ1 LYS 15 1HZ LYS 15 9.553 -11.446 -1.669 164 HZ2 LYS 15 2HZ LYS 15 10.017 -9.839 -1.924 165 HZ3 LYS 15 3HZ LYS 15 8.702 -10.481 -2.770 166 H ARG 16 H ARG 16 4.033 -8.803 -1.089 167 HA ARG 16 HA ARG 16 4.032 -11.626 -1.762 168 HB2 ARG 16 2HB ARG 16 5.076 -10.919 0.320 169 HB3 ARG 16 1HB ARG 16 3.558 -10.225 0.867 170 HG2 ARG 16 2HG ARG 16 4.333 -12.557 1.723 171 HG3 ARG 16 1HG ARG 16 2.635 -12.263 1.350 172 HD2 ARG 16 2HD ARG 16 2.887 -14.217 0.234 173 HD3 ARG 16 1HD ARG 16 3.433 -13.136 -1.040 174 HE ARG 16 HE ARG 16 5.649 -13.850 0.515 175 HH11 ARG 16 1HH1 ARG 16 3.380 -15.302 -1.700 176 HH12 ARG 16 2HH1 ARG 16 4.485 -16.526 -2.230 177 HH21 ARG 16 1HH2 ARG 16 7.107 -15.472 -0.177 178 HH22 ARG 16 2HH2 ARG 16 6.596 -16.624 -1.365 179 H LEU 17 H LEU 17 1.751 -9.299 -2.135 180 HA LEU 17 HA LEU 17 -0.472 -9.476 -2.673 181 HB2 LEU 17 2HB LEU 17 -1.425 -11.475 -3.107 182 HB3 LEU 17 1HB LEU 17 0.231 -12.029 -2.985 183 HG LEU 17 HG LEU 17 -0.589 -12.312 -0.402 184 HD11 LEU 17 1HD1 LEU 17 -2.783 -12.722 -0.151 185 HD12 LEU 17 2HD1 LEU 17 -2.922 -13.494 -1.732 186 HD13 LEU 17 3HD1 LEU 17 -2.948 -11.735 -1.603 187 HD21 LEU 17 1HD2 LEU 17 -1.166 -14.742 -1.301 188 HD22 LEU 17 2HD2 LEU 17 0.488 -14.133 -1.242 189 HD23 LEU 17 3HD2 LEU 17 -0.410 -14.101 -2.760 190 H GLY 18 H GLY 18 0.855 -8.996 0.038 191 HA2 GLY 18 2HA GLY 18 -0.248 -7.819 1.795 192 HA3 GLY 18 1HA GLY 18 -1.677 -8.801 1.521 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 -5.793 14.688 0.954 2 H2 ALA 1 2HT ALA 1 -7.255 13.840 0.649 3 H3 ALA 1 3HT ALA 1 -6.566 14.835 -0.569 4 HA ALA 1 HA ALA 1 -6.198 12.523 -0.998 5 HB1 ALA 1 1HB ALA 1 -3.560 13.695 -0.222 6 HB2 ALA 1 2HB ALA 1 -4.526 14.433 -1.501 7 HB3 ALA 1 3HB ALA 1 -3.990 12.759 -1.651 8 H LEU 2 H LEU 2 -5.119 10.573 -0.432 9 HA LEU 2 HA LEU 2 -3.703 10.018 1.842 10 HB2 LEU 2 2HB LEU 2 -5.716 8.823 3.088 11 HB3 LEU 2 1HB LEU 2 -5.226 10.465 3.457 12 HG LEU 2 HG LEU 2 -7.153 10.596 1.361 13 HD11 LEU 2 1HD1 LEU 2 -8.378 9.233 3.713 14 HD12 LEU 2 2HD1 LEU 2 -7.670 8.264 2.421 15 HD13 LEU 2 3HD1 LEU 2 -8.978 9.392 2.062 16 HD21 LEU 2 1HD2 LEU 2 -6.505 11.950 3.673 17 HD22 LEU 2 2HD2 LEU 2 -8.098 11.283 4.027 18 HD23 LEU 2 3HD2 LEU 2 -7.866 12.304 2.608 19 H TYR 3 H TYR 3 -6.157 8.989 -0.373 20 HA TYR 3 HA TYR 3 -6.117 6.267 -0.117 21 HB2 TYR 3 2HB TYR 3 -6.662 6.173 -2.543 22 HB3 TYR 3 1HB TYR 3 -7.623 7.361 -1.668 23 HD1 TYR 3 2HD TYR 3 -4.435 7.141 -3.615 24 HD2 TYR 3 1HD TYR 3 -7.855 9.460 -2.599 25 HE1 TYR 3 2HE TYR 3 -3.728 8.870 -5.212 26 HE2 TYR 3 1HE TYR 3 -7.158 11.197 -4.196 27 HH TYR 3 HH TYR 3 -5.266 11.970 -5.372 28 H LYS 4 H LYS 4 -3.590 8.323 -1.152 29 HA LYS 4 HA LYS 4 -2.131 6.311 -2.572 30 HB2 LYS 4 2HB LYS 4 -0.336 7.974 -2.666 31 HB3 LYS 4 1HB LYS 4 -1.875 8.692 -3.124 32 HG2 LYS 4 2HG LYS 4 -1.335 8.939 -0.282 33 HG3 LYS 4 1HG LYS 4 -0.097 9.697 -1.284 34 HD2 LYS 4 2HD LYS 4 -1.772 11.008 -2.433 35 HD3 LYS 4 1HD LYS 4 -3.064 10.179 -1.562 36 HE2 LYS 4 2HE LYS 4 -2.933 11.707 0.043 37 HE3 LYS 4 1HE LYS 4 -1.280 11.192 0.377 38 HZ1 LYS 4 1HZ LYS 4 -1.578 13.608 -0.152 39 HZ2 LYS 4 2HZ LYS 4 -1.959 13.158 -1.737 40 HZ3 LYS 4 3HZ LYS 4 -0.431 12.805 -1.103 41 H LYS 5 H LYS 5 -2.408 7.377 0.689 42 HA LYS 5 HA LYS 5 0.039 6.227 1.599 43 HB2 LYS 5 2HB LYS 5 -0.597 6.881 3.750 44 HB3 LYS 5 1HB LYS 5 -1.333 8.097 2.719 45 HG2 LYS 5 2HG LYS 5 -3.334 6.253 2.922 46 HG3 LYS 5 1HG LYS 5 -2.568 6.141 4.504 47 HD2 LYS 5 2HD LYS 5 -3.476 8.702 3.207 48 HD3 LYS 5 1HD LYS 5 -4.401 7.807 4.411 49 HE2 LYS 5 2HE LYS 5 -3.341 9.019 5.953 50 HE3 LYS 5 1HE LYS 5 -1.890 8.099 5.554 51 HZ1 LYS 5 1HZ LYS 5 -2.502 10.374 3.839 52 HZ2 LYS 5 2HZ LYS 5 -1.009 9.816 4.409 53 HZ3 LYS 5 3HZ LYS 5 -2.007 10.736 5.416 54 H PHE 6 H PHE 6 -3.368 5.217 1.450 55 HA PHE 6 HA PHE 6 -2.746 2.732 2.701 56 HB2 PHE 6 2HB PHE 6 -5.006 2.027 2.230 57 HB3 PHE 6 1HB PHE 6 -5.007 3.658 2.869 58 HD1 PHE 6 2HD PHE 6 -4.528 2.499 -0.664 59 HD2 PHE 6 1HD PHE 6 -6.938 4.577 2.161 60 HE1 PHE 6 2HE PHE 6 -6.029 3.215 -2.469 61 HE2 PHE 6 1HE PHE 6 -8.451 5.280 0.357 62 HZ PHE 6 HZ PHE 6 -7.991 4.603 -1.961 63 H LYS 7 H LYS 7 -2.415 4.020 -0.412 64 HA LYS 7 HA LYS 7 -2.403 1.551 -1.857 65 HB2 LYS 7 2HB LYS 7 -2.223 4.294 -2.504 66 HB3 LYS 7 1HB LYS 7 -0.728 3.557 -3.060 67 HG2 LYS 7 2HG LYS 7 -2.328 3.540 -4.844 68 HG3 LYS 7 1HG LYS 7 -2.047 1.884 -4.304 69 HD2 LYS 7 2HD LYS 7 -4.216 3.136 -2.852 70 HD3 LYS 7 1HD LYS 7 -4.507 3.148 -4.592 71 HE2 LYS 7 2HE LYS 7 -4.252 0.774 -4.719 72 HE3 LYS 7 1HE LYS 7 -3.692 0.689 -3.050 73 HZ1 LYS 7 1HZ LYS 7 -6.383 1.712 -3.733 74 HZ2 LYS 7 2HZ LYS 7 -5.822 1.140 -2.243 75 HZ3 LYS 7 3HZ LYS 7 -6.092 0.059 -3.515 76 H LYS 8 H LYS 8 -0.182 3.414 0.024 77 HA LYS 8 HA LYS 8 2.247 2.289 -0.804 78 HB2 LYS 8 2HB LYS 8 1.284 3.763 1.576 79 HB3 LYS 8 1HB LYS 8 2.752 2.821 1.786 80 HG2 LYS 8 2HG LYS 8 2.955 5.286 1.116 81 HG3 LYS 8 1HG LYS 8 3.940 4.099 0.258 82 HD2 LYS 8 2HD LYS 8 2.937 4.528 -1.692 83 HD3 LYS 8 1HD LYS 8 1.333 4.476 -0.961 84 HE2 LYS 8 2HE LYS 8 1.439 6.753 -0.335 85 HE3 LYS 8 1HE LYS 8 3.172 6.833 -0.652 86 HZ1 LYS 8 1HZ LYS 8 1.108 6.383 -2.738 87 HZ2 LYS 8 2HZ LYS 8 2.763 6.618 -2.989 88 HZ3 LYS 8 3HZ LYS 8 1.809 7.883 -2.395 89 H LYS 9 H LYS 9 -0.029 1.490 1.706 90 HA LYS 9 HA LYS 9 1.348 -0.824 2.604 91 HB2 LYS 9 2HB LYS 9 -0.398 -1.176 4.062 92 HB3 LYS 9 1HB LYS 9 -0.612 0.533 3.727 93 HG2 LYS 9 2HG LYS 9 -2.123 -0.758 1.775 94 HG3 LYS 9 1HG LYS 9 -2.398 -1.683 3.250 95 HD2 LYS 9 2HD LYS 9 -2.456 1.190 3.700 96 HD3 LYS 9 1HD LYS 9 -3.667 0.661 2.532 97 HE2 LYS 9 2HE LYS 9 -3.289 -0.669 5.204 98 HE3 LYS 9 1HE LYS 9 -4.377 0.698 4.965 99 HZ1 LYS 9 1HZ LYS 9 -4.728 -1.448 3.067 100 HZ2 LYS 9 2HZ LYS 9 -5.884 -0.583 3.949 101 HZ3 LYS 9 3HZ LYS 9 -5.069 -1.881 4.667 102 H LEU 10 H LEU 10 -0.679 -0.174 -0.084 103 HA LEU 10 HA LEU 10 -1.299 -2.946 -0.609 104 HB2 LEU 10 2HB LEU 10 -2.662 -0.912 -1.378 105 HB3 LEU 10 1HB LEU 10 -1.418 -0.671 -2.590 106 HG LEU 10 HG LEU 10 -2.881 -3.285 -2.374 107 HD11 LEU 10 1HD1 LEU 10 -4.377 -1.166 -2.641 108 HD12 LEU 10 2HD1 LEU 10 -4.631 -2.566 -3.683 109 HD13 LEU 10 3HD1 LEU 10 -3.746 -1.167 -4.289 110 HD21 LEU 10 1HD2 LEU 10 -2.316 -2.746 -5.007 111 HD22 LEU 10 2HD2 LEU 10 -1.348 -3.759 -3.935 112 HD23 LEU 10 3HD2 LEU 10 -0.928 -2.061 -4.164 113 H LEU 11 H LEU 11 1.376 -0.934 -0.916 114 HA LEU 11 HA LEU 11 2.542 -2.134 -3.244 115 HB2 LEU 11 2HB LEU 11 4.024 -0.818 -0.975 116 HB3 LEU 11 1HB LEU 11 4.546 -0.989 -2.639 117 HG LEU 11 HG LEU 11 2.254 0.746 -1.728 118 HD11 LEU 11 1HD1 LEU 11 3.875 2.592 -2.395 119 HD12 LEU 11 2HD1 LEU 11 5.137 1.362 -2.351 120 HD13 LEU 11 3HD1 LEU 11 4.231 1.747 -0.888 121 HD21 LEU 11 1HD2 LEU 11 2.584 -0.308 -4.182 122 HD22 LEU 11 2HD2 LEU 11 3.563 1.150 -4.337 123 HD23 LEU 11 3HD2 LEU 11 1.861 1.273 -3.886 124 H LYS 12 H LYS 12 2.911 -2.431 0.257 125 HA LYS 12 HA LYS 12 4.749 -4.560 0.249 126 HB2 LYS 12 2HB LYS 12 4.627 -4.009 2.431 127 HB3 LYS 12 1HB LYS 12 3.109 -3.165 2.182 128 HG2 LYS 12 2HG LYS 12 2.961 -6.117 2.338 129 HG3 LYS 12 1HG LYS 12 3.382 -5.258 3.816 130 HD2 LYS 12 2HD LYS 12 1.378 -3.863 3.576 131 HD3 LYS 12 1HD LYS 12 0.953 -4.740 2.105 132 HE2 LYS 12 2HE LYS 12 1.166 -6.825 3.726 133 HE3 LYS 12 1HE LYS 12 0.814 -5.604 4.947 134 HZ1 LYS 12 1HZ LYS 12 -1.287 -5.326 4.200 135 HZ2 LYS 12 2HZ LYS 12 -1.079 -6.914 3.655 136 HZ3 LYS 12 3HZ LYS 12 -0.888 -5.619 2.582 137 H SER 13 H SER 13 1.263 -4.447 -0.144 138 HA SER 13 HA SER 13 0.998 -7.324 -0.060 139 HB2 SER 13 2HB SER 13 -1.324 -6.944 -0.617 140 HB3 SER 13 1HB SER 13 -0.860 -5.714 0.559 141 HG SER 13 HG SER 13 -1.252 -5.440 -2.224 142 H LEU 14 H LEU 14 1.723 -4.879 -2.400 143 HA LEU 14 HA LEU 14 1.021 -6.334 -4.716 144 HB2 LEU 14 2HB LEU 14 1.562 -4.368 -5.628 145 HB3 LEU 14 1HB LEU 14 2.254 -3.835 -4.113 146 HG LEU 14 HG LEU 14 4.084 -5.541 -5.621 147 HD11 LEU 14 1HD1 LEU 14 2.841 -4.473 -7.494 148 HD12 LEU 14 2HD1 LEU 14 4.557 -4.068 -7.423 149 HD13 LEU 14 3HD1 LEU 14 3.354 -2.906 -6.863 150 HD21 LEU 14 1HD2 LEU 14 4.119 -2.931 -4.191 151 HD22 LEU 14 2HD2 LEU 14 5.425 -3.315 -5.311 152 HD23 LEU 14 3HD2 LEU 14 5.104 -4.371 -3.934 153 H LYS 15 H LYS 15 3.647 -6.515 -2.457 154 HA LYS 15 HA LYS 15 5.301 -8.082 -4.230 155 HB2 LYS 15 2HB LYS 15 6.936 -7.444 -2.857 156 HB3 LYS 15 1HB LYS 15 5.752 -6.556 -1.921 157 HG2 LYS 15 2HG LYS 15 7.149 -7.984 -0.523 158 HG3 LYS 15 1HG LYS 15 5.457 -8.457 -0.438 159 HD2 LYS 15 2HD LYS 15 5.948 -10.514 -1.115 160 HD3 LYS 15 1HD LYS 15 6.755 -9.892 -2.555 161 HE2 LYS 15 2HE LYS 15 8.191 -9.755 0.049 162 HE3 LYS 15 1HE LYS 15 8.055 -11.319 -0.751 163 HZ1 LYS 15 1HZ LYS 15 9.730 -9.097 -1.392 164 HZ2 LYS 15 2HZ LYS 15 8.830 -9.599 -2.733 165 HZ3 LYS 15 3HZ LYS 15 9.823 -10.701 -1.922 166 H ARG 16 H ARG 16 3.807 -8.829 -1.040 167 HA ARG 16 HA ARG 16 3.997 -11.649 -1.704 168 HB2 ARG 16 2HB ARG 16 4.654 -10.744 0.560 169 HB3 ARG 16 1HB ARG 16 2.944 -10.463 0.863 170 HG2 ARG 16 2HG ARG 16 4.165 -12.659 1.673 171 HG3 ARG 16 1HG ARG 16 2.484 -12.676 1.137 172 HD2 ARG 16 2HD ARG 16 3.297 -13.307 -1.138 173 HD3 ARG 16 1HD ARG 16 4.918 -13.450 -0.462 174 HE ARG 16 HE ARG 16 3.457 -15.076 1.120 175 HH11 ARG 16 1HH1 ARG 16 3.793 -14.811 -2.344 176 HH12 ARG 16 2HH1 ARG 16 3.474 -16.489 -2.630 177 HH21 ARG 16 1HH2 ARG 16 3.028 -17.279 0.751 178 HH22 ARG 16 2HH2 ARG 16 3.036 -17.895 -0.868 179 H LEU 17 H LEU 17 1.774 -9.379 -2.378 180 HA LEU 17 HA LEU 17 -0.314 -9.595 -3.286 181 HB2 LEU 17 2HB LEU 17 -1.123 -11.614 -3.860 182 HB3 LEU 17 1HB LEU 17 0.462 -12.168 -3.360 183 HG LEU 17 HG LEU 17 -0.900 -12.325 -1.006 184 HD11 LEU 17 1HD1 LEU 17 -3.100 -12.664 -1.222 185 HD12 LEU 17 2HD1 LEU 17 -2.910 -13.591 -2.712 186 HD13 LEU 17 3HD1 LEU 17 -2.926 -11.827 -2.766 187 HD21 LEU 17 1HD2 LEU 17 -1.272 -14.799 -1.852 188 HD22 LEU 17 2HD2 LEU 17 0.340 -14.168 -1.518 189 HD23 LEU 17 3HD2 LEU 17 -0.249 -14.244 -3.179 190 H GLY 18 H GLY 18 0.568 -9.231 -0.291 191 HA2 GLY 18 2HA GLY 18 -0.936 -7.950 1.142 192 HA3 GLY 18 1HA GLY 18 -2.204 -9.088 0.715 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 -7.908 13.203 0.437 2 H2 ALA 1 2HT ALA 1 -7.654 14.019 -1.051 3 H3 ALA 1 3HT ALA 1 -6.732 14.445 0.333 4 HA ALA 1 HA ALA 1 -6.557 12.100 -1.387 5 HB1 ALA 1 1HB ALA 1 -4.301 12.686 -1.568 6 HB2 ALA 1 2HB ALA 1 -4.351 13.688 -0.116 7 HB3 ALA 1 3HB ALA 1 -5.154 14.229 -1.591 8 H LEU 2 H LEU 2 -5.387 10.264 -0.677 9 HA LEU 2 HA LEU 2 -4.242 9.756 1.744 10 HB2 LEU 2 2HB LEU 2 -6.234 8.387 2.771 11 HB3 LEU 2 1HB LEU 2 -6.016 10.088 3.138 12 HG LEU 2 HG LEU 2 -7.652 10.001 0.843 13 HD11 LEU 2 1HD1 LEU 2 -8.910 8.276 2.935 14 HD12 LEU 2 2HD1 LEU 2 -7.936 7.560 1.653 15 HD13 LEU 2 3HD1 LEU 2 -9.366 8.507 1.247 16 HD21 LEU 2 1HD2 LEU 2 -8.848 11.462 2.049 17 HD22 LEU 2 2HD2 LEU 2 -7.547 11.322 3.231 18 HD23 LEU 2 3HD2 LEU 2 -9.011 10.355 3.410 19 H TYR 3 H TYR 3 -6.296 8.593 -0.785 20 HA TYR 3 HA TYR 3 -6.081 5.880 -0.566 21 HB2 TYR 3 2HB TYR 3 -6.295 5.822 -3.055 22 HB3 TYR 3 1HB TYR 3 -7.477 6.857 -2.264 23 HD1 TYR 3 1HD TYR 3 -4.056 7.108 -3.771 24 HD2 TYR 3 2HD TYR 3 -7.856 8.934 -3.191 25 HE1 TYR 3 1HE TYR 3 -3.372 8.975 -5.215 26 HE2 TYR 3 2HE TYR 3 -7.183 10.807 -4.635 27 HH TYR 3 HH TYR 3 -5.264 11.862 -5.522 28 H LYS 4 H LYS 4 -3.587 8.122 -1.131 29 HA LYS 4 HA LYS 4 -1.816 6.261 -2.413 30 HB2 LYS 4 2HB LYS 4 -0.174 8.065 -2.297 31 HB3 LYS 4 1HB LYS 4 -1.707 8.663 -2.917 32 HG2 LYS 4 2HG LYS 4 -1.497 8.911 -0.028 33 HG3 LYS 4 1HG LYS 4 -0.228 9.786 -0.891 34 HD2 LYS 4 2HD LYS 4 -1.847 11.020 -2.152 35 HD3 LYS 4 1HD LYS 4 -3.164 10.022 -1.536 36 HE2 LYS 4 2HE LYS 4 -3.427 11.442 0.150 37 HE3 LYS 4 1HE LYS 4 -1.801 11.057 0.707 38 HZ1 LYS 4 1HZ LYS 4 -2.288 13.073 -1.402 39 HZ2 LYS 4 2HZ LYS 4 -0.907 12.860 -0.450 40 HZ3 LYS 4 3HZ LYS 4 -2.324 13.474 0.242 41 H LYS 5 H LYS 5 -2.618 7.183 0.802 42 HA LYS 5 HA LYS 5 -0.196 6.213 1.991 43 HB2 LYS 5 2HB LYS 5 -1.176 6.687 4.081 44 HB3 LYS 5 1HB LYS 5 -1.792 7.934 3.012 45 HG2 LYS 5 2HG LYS 5 -3.725 6.021 2.802 46 HG3 LYS 5 1HG LYS 5 -3.208 5.837 4.476 47 HD2 LYS 5 2HD LYS 5 -4.014 8.444 3.192 48 HD3 LYS 5 1HD LYS 5 -5.070 7.447 4.194 49 HE2 LYS 5 2HE LYS 5 -4.305 8.575 5.954 50 HE3 LYS 5 1HE LYS 5 -2.763 7.754 5.711 51 HZ1 LYS 5 1HZ LYS 5 -3.219 10.094 4.054 52 HZ2 LYS 5 2HZ LYS 5 -1.819 9.594 4.862 53 HZ3 LYS 5 3HZ LYS 5 -3.042 10.398 5.710 54 H PHE 6 H PHE 6 -3.461 4.987 1.356 55 HA PHE 6 HA PHE 6 -2.814 2.469 2.579 56 HB2 PHE 6 2HB PHE 6 -4.981 1.690 1.938 57 HB3 PHE 6 1HB PHE 6 -5.142 3.321 2.551 58 HD1 PHE 6 1HD PHE 6 -4.276 2.103 -0.901 59 HD2 PHE 6 2HD PHE 6 -7.004 4.182 1.620 60 HE1 PHE 6 1HE PHE 6 -5.606 2.731 -2.862 61 HE2 PHE 6 2HE PHE 6 -8.341 4.811 -0.342 62 HZ PHE 6 HZ PHE 6 -7.641 4.090 -2.587 63 H LYS 7 H LYS 7 -2.343 3.922 -0.461 64 HA LYS 7 HA LYS 7 -2.140 1.524 -1.985 65 HB2 LYS 7 2HB LYS 7 -2.498 3.601 -3.151 66 HB3 LYS 7 1HB LYS 7 -1.049 4.295 -2.446 67 HG2 LYS 7 2HG LYS 7 -0.219 1.959 -3.755 68 HG3 LYS 7 1HG LYS 7 -1.353 2.755 -4.848 69 HD2 LYS 7 2HD LYS 7 1.031 3.432 -5.160 70 HD3 LYS 7 1HD LYS 7 -0.067 4.772 -4.828 71 HE2 LYS 7 2HE LYS 7 0.813 3.929 -2.321 72 HE3 LYS 7 1HE LYS 7 2.244 3.857 -3.345 73 HZ1 LYS 7 1HZ LYS 7 2.390 6.057 -3.338 74 HZ2 LYS 7 2HZ LYS 7 1.163 6.098 -2.175 75 HZ3 LYS 7 3HZ LYS 7 0.777 6.247 -3.812 76 H LYS 8 H LYS 8 -0.065 3.433 0.043 77 HA LYS 8 HA LYS 8 2.448 2.367 -0.575 78 HB2 LYS 8 2HB LYS 8 1.209 3.648 1.798 79 HB3 LYS 8 1HB LYS 8 2.639 2.680 2.111 80 HG2 LYS 8 2HG LYS 8 3.006 5.137 1.765 81 HG3 LYS 8 1HG LYS 8 3.987 4.064 0.764 82 HD2 LYS 8 2HD LYS 8 1.766 4.443 -0.784 83 HD3 LYS 8 1HD LYS 8 1.943 6.012 0.001 84 HE2 LYS 8 2HE LYS 8 4.526 5.185 -0.797 85 HE3 LYS 8 1HE LYS 8 3.449 4.903 -2.163 86 HZ1 LYS 8 1HZ LYS 8 4.081 7.440 -0.803 87 HZ2 LYS 8 2HZ LYS 8 2.637 7.277 -1.668 88 HZ3 LYS 8 3HZ LYS 8 4.120 7.079 -2.456 89 H LYS 9 H LYS 9 0.072 1.505 1.815 90 HA LYS 9 HA LYS 9 1.301 -0.887 2.664 91 HB2 LYS 9 2HB LYS 9 -1.567 0.043 2.793 92 HB3 LYS 9 1HB LYS 9 -1.016 -1.459 3.523 93 HG2 LYS 9 2HG LYS 9 -0.252 -0.399 5.315 94 HG3 LYS 9 1HG LYS 9 0.651 0.753 4.329 95 HD2 LYS 9 2HD LYS 9 -1.271 2.166 4.102 96 HD3 LYS 9 1HD LYS 9 -2.315 0.953 4.843 97 HE2 LYS 9 2HE LYS 9 -0.017 1.809 6.475 98 HE3 LYS 9 1HE LYS 9 -1.228 3.051 6.167 99 HZ1 LYS 9 1HZ LYS 9 -1.499 1.547 8.208 100 HZ2 LYS 9 2HZ LYS 9 -2.036 0.377 7.110 101 HZ3 LYS 9 3HZ LYS 9 -2.860 1.846 7.249 102 H LEU 10 H LEU 10 -0.444 -0.079 -0.153 103 HA LEU 10 HA LEU 10 -1.146 -2.820 -0.758 104 HB2 LEU 10 2HB LEU 10 -2.244 -0.468 -1.526 105 HB3 LEU 10 1HB LEU 10 -1.193 -0.775 -2.898 106 HG LEU 10 HG LEU 10 -2.760 -3.102 -2.099 107 HD11 LEU 10 1HD1 LEU 10 -4.175 -0.808 -1.837 108 HD12 LEU 10 2HD1 LEU 10 -4.871 -2.357 -2.309 109 HD13 LEU 10 3HD1 LEU 10 -4.439 -1.170 -3.542 110 HD21 LEU 10 1HD2 LEU 10 -3.331 -2.609 -4.696 111 HD22 LEU 10 2HD2 LEU 10 -1.901 -3.481 -4.141 112 HD23 LEU 10 3HD2 LEU 10 -1.791 -1.764 -4.529 113 H LEU 11 H LEU 11 1.579 -0.903 -0.872 114 HA LEU 11 HA LEU 11 2.763 -2.005 -3.265 115 HB2 LEU 11 2HB LEU 11 4.206 -0.743 -0.934 116 HB3 LEU 11 1HB LEU 11 4.783 -0.904 -2.583 117 HG LEU 11 HG LEU 11 2.479 0.842 -1.720 118 HD11 LEU 11 1HD1 LEU 11 5.371 1.437 -2.296 119 HD12 LEU 11 2HD1 LEU 11 4.440 1.829 -0.852 120 HD13 LEU 11 3HD1 LEU 11 4.116 2.674 -2.365 121 HD21 LEU 11 1HD2 LEU 11 2.350 -0.043 -4.040 122 HD22 LEU 11 2HD2 LEU 11 3.912 0.708 -4.371 123 HD23 LEU 11 3HD2 LEU 11 2.519 1.711 -3.960 124 H LYS 12 H LYS 12 3.005 -2.454 0.217 125 HA LYS 12 HA LYS 12 4.803 -4.660 0.066 126 HB2 LYS 12 2HB LYS 12 4.893 -4.198 2.259 127 HB3 LYS 12 1HB LYS 12 3.499 -3.142 2.119 128 HG2 LYS 12 2HG LYS 12 2.832 -5.998 2.237 129 HG3 LYS 12 1HG LYS 12 3.640 -5.370 3.668 130 HD2 LYS 12 2HD LYS 12 1.761 -4.396 4.344 131 HD3 LYS 12 1HD LYS 12 1.653 -3.497 2.829 132 HE2 LYS 12 2HE LYS 12 -0.234 -4.661 2.502 133 HE3 LYS 12 1HE LYS 12 0.843 -5.984 2.060 134 HZ1 LYS 12 1HZ LYS 12 -0.090 -5.532 4.839 135 HZ2 LYS 12 2HZ LYS 12 0.664 -6.911 4.210 136 HZ3 LYS 12 3HZ LYS 12 -0.916 -6.523 3.740 137 H SER 13 H SER 13 1.314 -4.282 0.010 138 HA SER 13 HA SER 13 0.826 -7.122 0.076 139 HB2 SER 13 2HB SER 13 -0.980 -5.878 0.941 140 HB3 SER 13 1HB SER 13 -0.901 -4.694 -0.364 141 HG SER 13 HG SER 13 -1.811 -6.173 -1.745 142 H LEU 14 H LEU 14 1.734 -4.821 -2.266 143 HA LEU 14 HA LEU 14 0.597 -6.158 -4.510 144 HB2 LEU 14 2HB LEU 14 1.134 -4.178 -5.418 145 HB3 LEU 14 1HB LEU 14 2.127 -3.767 -4.037 146 HG LEU 14 HG LEU 14 3.403 -5.592 -5.975 147 HD11 LEU 14 1HD1 LEU 14 2.146 -4.113 -7.481 148 HD12 LEU 14 2HD1 LEU 14 3.889 -3.871 -7.592 149 HD13 LEU 14 3HD1 LEU 14 2.894 -2.717 -6.704 150 HD21 LEU 14 1HD2 LEU 14 5.214 -3.795 -5.629 151 HD22 LEU 14 2HD2 LEU 14 4.803 -4.846 -4.274 152 HD23 LEU 14 3HD2 LEU 14 4.167 -3.202 -4.339 153 H LYS 15 H LYS 15 3.510 -6.405 -2.643 154 HA LYS 15 HA LYS 15 4.846 -8.090 -4.552 155 HB2 LYS 15 2HB LYS 15 6.170 -6.627 -3.143 156 HB3 LYS 15 1HB LYS 15 5.516 -7.382 -1.697 157 HG2 LYS 15 2HG LYS 15 6.951 -9.079 -3.676 158 HG3 LYS 15 1HG LYS 15 7.882 -8.033 -2.601 159 HD2 LYS 15 2HD LYS 15 6.336 -9.097 -0.758 160 HD3 LYS 15 1HD LYS 15 6.169 -10.388 -1.949 161 HE2 LYS 15 2HE LYS 15 8.693 -9.373 -0.658 162 HE3 LYS 15 1HE LYS 15 7.978 -10.979 -0.518 163 HZ1 LYS 15 1HZ LYS 15 9.337 -11.548 -2.162 164 HZ2 LYS 15 2HZ LYS 15 9.737 -9.943 -2.517 165 HZ3 LYS 15 3HZ LYS 15 8.356 -10.641 -3.202 166 H ARG 16 H ARG 16 4.159 -8.742 -1.130 167 HA ARG 16 HA ARG 16 3.891 -11.564 -1.778 168 HB2 ARG 16 2HB ARG 16 5.314 -10.833 0.116 169 HB3 ARG 16 1HB ARG 16 3.878 -10.225 0.926 170 HG2 ARG 16 2HG ARG 16 4.853 -12.590 1.497 171 HG3 ARG 16 1HG ARG 16 3.112 -12.308 1.451 172 HD2 ARG 16 2HD ARG 16 3.071 -13.150 -0.871 173 HD3 ARG 16 1HD ARG 16 4.793 -13.505 -0.751 174 HE ARG 16 HE ARG 16 3.392 -14.771 1.353 175 HH11 ARG 16 1HH1 ARG 16 3.943 -15.006 -2.087 176 HH12 ARG 16 2HH1 ARG 16 3.649 -16.712 -2.144 177 HH21 ARG 16 1HH2 ARG 16 3.010 -17.008 1.286 178 HH22 ARG 16 2HH2 ARG 16 3.115 -17.855 -0.222 179 H LEU 17 H LEU 17 1.720 -9.109 -1.805 180 HA LEU 17 HA LEU 17 -0.582 -9.144 -1.876 181 HB2 LEU 17 2HB LEU 17 -1.640 -11.089 -2.259 182 HB3 LEU 17 1HB LEU 17 -0.021 -11.764 -2.306 183 HG LEU 17 HG LEU 17 -0.571 -11.991 0.349 184 HD11 LEU 17 1HD1 LEU 17 -2.754 -12.305 0.841 185 HD12 LEU 17 2HD1 LEU 17 -3.144 -12.917 -0.767 186 HD13 LEU 17 3HD1 LEU 17 -2.976 -11.182 -0.500 187 HD21 LEU 17 1HD2 LEU 17 -0.389 -14.202 -0.046 188 HD22 LEU 17 2HD2 LEU 17 0.011 -13.671 -1.680 189 HD23 LEU 17 3HD2 LEU 17 -1.630 -14.191 -1.298 190 H GLY 18 H GLY 18 1.302 -8.802 0.452 191 HA2 GLY 18 2HA GLY 18 0.955 -7.850 2.542 192 HA3 GLY 18 1HA GLY 18 -0.751 -8.250 2.418 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 -6.008 14.426 -0.095 2 H2 ALA 1 2HT ALA 1 -7.645 13.914 -0.045 3 H3 ALA 1 3HT ALA 1 -6.983 14.541 -1.500 4 HA ALA 1 HA ALA 1 -7.220 12.143 -1.498 5 HB1 ALA 1 1HB ALA 1 -4.687 13.610 -1.908 6 HB2 ALA 1 2HB ALA 1 -5.661 12.685 -3.049 7 HB3 ALA 1 3HB ALA 1 -4.594 11.847 -1.922 8 H LEU 2 H LEU 2 -5.893 10.146 -0.917 9 HA LEU 2 HA LEU 2 -4.438 10.034 1.484 10 HB2 LEU 2 2HB LEU 2 -6.466 8.505 2.475 11 HB3 LEU 2 1HB LEU 2 -6.083 10.137 2.988 12 HG LEU 2 HG LEU 2 -7.859 10.065 0.665 13 HD11 LEU 2 1HD1 LEU 2 -9.281 9.319 3.137 14 HD12 LEU 2 2HD1 LEU 2 -8.406 8.028 2.318 15 HD13 LEU 2 3HD1 LEU 2 -9.644 8.937 1.455 16 HD21 LEU 2 1HD2 LEU 2 -8.296 12.068 1.505 17 HD22 LEU 2 2HD2 LEU 2 -7.262 11.719 2.891 18 HD23 LEU 2 3HD2 LEU 2 -8.979 11.322 2.949 19 H TYR 3 H TYR 3 -6.531 8.363 -0.756 20 HA TYR 3 HA TYR 3 -5.960 5.739 -0.315 21 HB2 TYR 3 2HB TYR 3 -6.253 5.370 -2.751 22 HB3 TYR 3 1HB TYR 3 -7.497 6.405 -2.058 23 HD1 TYR 3 1HD TYR 3 -4.390 6.416 -4.075 24 HD2 TYR 3 2HD TYR 3 -7.818 8.613 -2.840 25 HE1 TYR 3 1HE TYR 3 -3.882 8.142 -5.752 26 HE2 TYR 3 2HE TYR 3 -7.322 10.344 -4.515 27 HH TYR 3 HH TYR 3 -6.081 10.504 -6.683 28 H LYS 4 H LYS 4 -3.800 8.171 -1.433 29 HA LYS 4 HA LYS 4 -1.848 6.588 -2.668 30 HB2 LYS 4 2HB LYS 4 -0.338 8.464 -2.311 31 HB3 LYS 4 1HB LYS 4 -1.915 9.044 -2.830 32 HG2 LYS 4 2HG LYS 4 -2.236 9.151 -0.162 33 HG3 LYS 4 1HG LYS 4 -0.498 9.431 -0.279 34 HD2 LYS 4 2HD LYS 4 -0.758 11.441 -1.315 35 HD3 LYS 4 1HD LYS 4 -2.231 10.939 -2.148 36 HE2 LYS 4 2HE LYS 4 -3.546 11.260 -0.191 37 HE3 LYS 4 1HE LYS 4 -2.112 11.468 0.813 38 HZ1 LYS 4 1HZ LYS 4 -1.695 13.559 -0.089 39 HZ2 LYS 4 2HZ LYS 4 -3.373 13.545 0.122 40 HZ3 LYS 4 3HZ LYS 4 -2.713 13.310 -1.418 41 H LYS 5 H LYS 5 -2.410 7.414 0.686 42 HA LYS 5 HA LYS 5 0.001 6.181 1.616 43 HB2 LYS 5 2HB LYS 5 -0.829 6.585 3.838 44 HB3 LYS 5 1HB LYS 5 -1.149 8.007 2.859 45 HG2 LYS 5 2HG LYS 5 -3.437 6.443 2.626 46 HG3 LYS 5 1HG LYS 5 -2.973 6.330 4.321 47 HD2 LYS 5 2HD LYS 5 -3.326 8.897 2.770 48 HD3 LYS 5 1HD LYS 5 -4.508 8.209 3.885 49 HE2 LYS 5 2HE LYS 5 -3.365 8.870 5.710 50 HE3 LYS 5 1HE LYS 5 -1.796 8.538 4.975 51 HZ1 LYS 5 1HZ LYS 5 -3.484 10.886 4.307 52 HZ2 LYS 5 2HZ LYS 5 -1.901 10.592 3.789 53 HZ3 LYS 5 3HZ LYS 5 -2.210 10.917 5.420 54 H PHE 6 H PHE 6 -3.385 5.265 1.273 55 HA PHE 6 HA PHE 6 -3.063 2.767 2.562 56 HB2 PHE 6 2HB PHE 6 -5.122 3.229 0.422 57 HB3 PHE 6 1HB PHE 6 -5.243 2.211 1.850 58 HD1 PHE 6 1HD PHE 6 -4.095 4.467 3.711 59 HD2 PHE 6 2HD PHE 6 -7.229 4.294 0.837 60 HE1 PHE 6 1HE PHE 6 -5.268 6.288 4.883 61 HE2 PHE 6 2HE PHE 6 -8.405 6.109 2.001 62 HZ PHE 6 HZ PHE 6 -7.424 7.115 4.023 63 H LYS 7 H LYS 7 -2.370 3.964 -0.569 64 HA LYS 7 HA LYS 7 -2.188 1.451 -1.876 65 HB2 LYS 7 2HB LYS 7 -2.450 3.321 -3.276 66 HB3 LYS 7 1HB LYS 7 -1.151 4.191 -2.486 67 HG2 LYS 7 2HG LYS 7 -0.493 1.649 -3.880 68 HG3 LYS 7 1HG LYS 7 -0.843 3.074 -4.860 69 HD2 LYS 7 2HD LYS 7 1.357 2.674 -2.849 70 HD3 LYS 7 1HD LYS 7 1.490 3.089 -4.559 71 HE2 LYS 7 2HE LYS 7 -0.009 5.154 -3.591 72 HE3 LYS 7 1HE LYS 7 1.041 4.802 -2.223 73 HZ1 LYS 7 1HZ LYS 7 1.784 5.669 -4.945 74 HZ2 LYS 7 2HZ LYS 7 2.905 4.860 -3.971 75 HZ3 LYS 7 3HZ LYS 7 2.246 6.331 -3.459 76 H LYS 8 H LYS 8 -0.111 3.441 0.061 77 HA LYS 8 HA LYS 8 2.395 2.354 -0.406 78 HB2 LYS 8 2HB LYS 8 1.079 3.677 1.882 79 HB3 LYS 8 1HB LYS 8 2.482 2.705 2.284 80 HG2 LYS 8 2HG LYS 8 2.968 5.094 1.917 81 HG3 LYS 8 1HG LYS 8 3.873 4.011 0.854 82 HD2 LYS 8 2HD LYS 8 1.547 4.558 -0.544 83 HD3 LYS 8 1HD LYS 8 1.968 6.099 0.201 84 HE2 LYS 8 2HE LYS 8 4.369 5.023 -0.783 85 HE3 LYS 8 1HE LYS 8 3.166 4.776 -2.048 86 HZ1 LYS 8 1HZ LYS 8 3.968 6.873 -2.504 87 HZ2 LYS 8 2HZ LYS 8 4.127 7.300 -0.875 88 HZ3 LYS 8 3HZ LYS 8 2.593 7.231 -1.585 89 H LYS 9 H LYS 9 -0.024 1.440 1.939 90 HA LYS 9 HA LYS 9 1.242 -0.928 2.813 91 HB2 LYS 9 2HB LYS 9 -1.671 -0.117 2.861 92 HB3 LYS 9 1HB LYS 9 -1.049 -1.559 3.653 93 HG2 LYS 9 2HG LYS 9 -0.745 -0.298 5.449 94 HG3 LYS 9 1HG LYS 9 0.590 0.460 4.578 95 HD2 LYS 9 2HD LYS 9 -0.692 2.282 5.221 96 HD3 LYS 9 1HD LYS 9 -1.252 1.983 3.574 97 HE2 LYS 9 2HE LYS 9 -3.188 2.332 4.892 98 HE3 LYS 9 1HE LYS 9 -3.102 0.598 4.581 99 HZ1 LYS 9 1HZ LYS 9 -1.810 1.550 7.010 100 HZ2 LYS 9 2HZ LYS 9 -2.702 0.140 6.740 101 HZ3 LYS 9 3HZ LYS 9 -3.502 1.609 6.990 102 H LEU 10 H LEU 10 -0.570 -0.142 0.010 103 HA LEU 10 HA LEU 10 -1.127 -2.914 -0.613 104 HB2 LEU 10 2HB LEU 10 -1.845 -0.297 -1.708 105 HB3 LEU 10 1HB LEU 10 -1.528 -1.504 -2.939 106 HG LEU 10 HG LEU 10 -3.170 -2.636 -0.901 107 HD11 LEU 10 1HD1 LEU 10 -3.945 -0.431 -0.367 108 HD12 LEU 10 2HD1 LEU 10 -5.201 -1.252 -1.295 109 HD13 LEU 10 3HD1 LEU 10 -4.175 -0.049 -2.075 110 HD21 LEU 10 1HD2 LEU 10 -4.731 -2.528 -3.097 111 HD22 LEU 10 2HD2 LEU 10 -3.454 -3.720 -2.858 112 HD23 LEU 10 3HD2 LEU 10 -3.142 -2.277 -3.823 113 H LEU 11 H LEU 11 1.505 -0.943 -0.689 114 HA LEU 11 HA LEU 11 2.665 -1.914 -3.143 115 HB2 LEU 11 2HB LEU 11 4.064 -0.584 -0.817 116 HB3 LEU 11 1HB LEU 11 4.670 -0.748 -2.456 117 HG LEU 11 HG LEU 11 2.311 0.919 -1.602 118 HD11 LEU 11 1HD1 LEU 11 3.824 2.785 -2.388 119 HD12 LEU 11 2HD1 LEU 11 5.137 1.607 -2.383 120 HD13 LEU 11 3HD1 LEU 11 4.295 1.997 -0.883 121 HD21 LEU 11 1HD2 LEU 11 3.321 0.056 -4.239 122 HD22 LEU 11 2HD2 LEU 11 2.887 1.757 -4.085 123 HD23 LEU 11 3HD2 LEU 11 1.692 0.509 -3.736 124 H LYS 12 H LYS 12 3.066 -2.438 0.330 125 HA LYS 12 HA LYS 12 4.957 -4.552 0.007 126 HB2 LYS 12 2HB LYS 12 5.119 -4.413 2.243 127 HB3 LYS 12 1HB LYS 12 3.968 -3.091 2.156 128 HG2 LYS 12 2HG LYS 12 2.483 -5.512 2.182 129 HG3 LYS 12 1HG LYS 12 3.705 -5.609 3.447 130 HD2 LYS 12 2HD LYS 12 2.903 -3.178 3.986 131 HD3 LYS 12 1HD LYS 12 1.451 -3.686 3.118 132 HE2 LYS 12 2HE LYS 12 2.443 -5.602 5.112 133 HE3 LYS 12 1HE LYS 12 1.871 -4.069 5.772 134 HZ1 LYS 12 1HZ LYS 12 0.232 -5.496 3.792 135 HZ2 LYS 12 2HZ LYS 12 -0.251 -4.434 5.017 136 HZ3 LYS 12 3HZ LYS 12 0.219 -6.013 5.404 137 H SER 13 H SER 13 1.466 -4.337 0.003 138 HA SER 13 HA SER 13 1.122 -7.188 0.182 139 HB2 SER 13 2HB SER 13 -1.227 -6.760 -0.133 140 HB3 SER 13 1HB SER 13 -0.609 -5.499 0.932 141 HG SER 13 HG SER 13 -1.503 -5.338 -1.699 142 H LEU 14 H LEU 14 1.535 -4.814 -2.336 143 HA LEU 14 HA LEU 14 0.585 -6.426 -4.447 144 HB2 LEU 14 2HB LEU 14 0.929 -4.510 -5.554 145 HB3 LEU 14 1HB LEU 14 1.798 -3.857 -4.184 146 HG LEU 14 HG LEU 14 3.363 -5.632 -5.958 147 HD11 LEU 14 1HD1 LEU 14 1.942 -4.291 -7.524 148 HD12 LEU 14 2HD1 LEU 14 3.677 -4.019 -7.679 149 HD13 LEU 14 3HD1 LEU 14 2.674 -2.838 -6.840 150 HD21 LEU 14 1HD2 LEU 14 3.781 -3.112 -4.401 151 HD22 LEU 14 2HD2 LEU 14 4.939 -3.624 -5.627 152 HD23 LEU 14 3HD2 LEU 14 4.597 -4.668 -4.249 153 H LYS 15 H LYS 15 3.474 -6.335 -2.576 154 HA LYS 15 HA LYS 15 5.079 -7.867 -4.354 155 HB2 LYS 15 2HB LYS 15 6.647 -7.101 -2.969 156 HB3 LYS 15 1HB LYS 15 5.413 -6.491 -1.885 157 HG2 LYS 15 2HG LYS 15 7.106 -7.940 -0.807 158 HG3 LYS 15 1HG LYS 15 5.450 -8.505 -0.598 159 HD2 LYS 15 2HD LYS 15 5.954 -10.454 -1.523 160 HD3 LYS 15 1HD LYS 15 6.560 -9.653 -2.973 161 HE2 LYS 15 2HE LYS 15 8.596 -9.211 -1.221 162 HE3 LYS 15 1HE LYS 15 8.025 -10.797 -0.703 163 HZ1 LYS 15 1HZ LYS 15 8.692 -11.765 -2.616 164 HZ2 LYS 15 2HZ LYS 15 9.788 -10.478 -2.638 165 HZ3 LYS 15 3HZ LYS 15 8.378 -10.400 -3.569 166 H ARG 16 H ARG 16 3.692 -8.833 -1.165 167 HA ARG 16 HA ARG 16 3.893 -11.614 -2.024 168 HB2 ARG 16 2HB ARG 16 4.401 -10.538 0.369 169 HB3 ARG 16 1HB ARG 16 2.705 -10.946 0.613 170 HG2 ARG 16 2HG ARG 16 3.842 -13.206 -0.566 171 HG3 ARG 16 1HG ARG 16 5.021 -12.653 0.620 172 HD2 ARG 16 2HD ARG 16 3.796 -13.553 2.243 173 HD3 ARG 16 1HD ARG 16 2.463 -12.478 1.826 174 HE ARG 16 HE ARG 16 1.383 -14.288 0.969 175 HH11 ARG 16 1HH1 ARG 16 4.807 -14.953 0.921 176 HH12 ARG 16 2HH1 ARG 16 4.618 -16.554 0.288 177 HH21 ARG 16 1HH2 ARG 16 1.130 -16.401 0.140 178 HH22 ARG 16 2HH2 ARG 16 2.532 -17.374 -0.157 179 H LEU 17 H LEU 17 1.410 -9.301 -1.136 180 HA LEU 17 HA LEU 17 -0.668 -9.527 -2.542 181 HB2 LEU 17 2HB LEU 17 -1.900 -11.476 -2.554 182 HB3 LEU 17 1HB LEU 17 -0.267 -12.078 -2.636 183 HG LEU 17 HG LEU 17 -1.024 -13.513 -1.067 184 HD11 LEU 17 1HD1 LEU 17 0.504 -11.698 0.117 185 HD12 LEU 17 2HD1 LEU 17 -0.213 -13.042 0.995 186 HD13 LEU 17 3HD1 LEU 17 -0.966 -11.453 1.056 187 HD21 LEU 17 1HD2 LEU 17 -2.913 -11.736 0.344 188 HD22 LEU 17 2HD2 LEU 17 -3.062 -13.435 -0.096 189 HD23 LEU 17 3HD2 LEU 17 -3.320 -12.185 -1.313 190 H GLY 18 H GLY 18 0.493 -8.916 0.314 191 HA2 GLY 18 2HA GLY 18 -0.784 -7.417 1.753 192 HA3 GLY 18 1HA GLY 18 -2.165 -8.480 1.522 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 -5.547 14.589 -0.359 2 H2 ALA 1 2HT ALA 1 -7.076 13.863 -0.074 3 H3 ALA 1 3HT ALA 1 -6.699 14.495 -1.625 4 HA ALA 1 HA ALA 1 -6.464 12.252 -1.863 5 HB1 ALA 1 1HB ALA 1 -3.898 11.960 -1.883 6 HB2 ALA 1 2HB ALA 1 -3.862 13.654 -1.390 7 HB3 ALA 1 3HB ALA 1 -4.622 13.195 -2.913 8 H LEU 2 H LEU 2 -5.300 10.220 -1.146 9 HA LEU 2 HA LEU 2 -4.384 9.895 1.483 10 HB2 LEU 2 2HB LEU 2 -6.612 8.413 1.956 11 HB3 LEU 2 1HB LEU 2 -6.293 9.994 2.630 12 HG LEU 2 HG LEU 2 -7.537 10.204 0.021 13 HD11 LEU 2 1HD1 LEU 2 -8.697 8.310 1.973 14 HD12 LEU 2 2HD1 LEU 2 -8.826 8.351 0.215 15 HD13 LEU 2 3HD1 LEU 2 -9.803 9.445 1.196 16 HD21 LEU 2 1HD2 LEU 2 -8.216 12.075 0.999 17 HD22 LEU 2 2HD2 LEU 2 -7.490 11.542 2.514 18 HD23 LEU 2 3HD2 LEU 2 -9.170 11.145 2.155 19 H TYR 3 H TYR 3 -5.959 8.469 -1.281 20 HA TYR 3 HA TYR 3 -5.560 5.784 -0.905 21 HB2 TYR 3 2HB TYR 3 -5.170 7.361 -3.449 22 HB3 TYR 3 1HB TYR 3 -5.268 5.605 -3.377 23 HD1 TYR 3 1HD TYR 3 -7.366 4.502 -2.771 24 HD2 TYR 3 2HD TYR 3 -7.105 8.720 -3.223 25 HE1 TYR 3 1HE TYR 3 -9.820 4.638 -2.896 26 HE2 TYR 3 2HE TYR 3 -9.543 8.873 -3.349 27 HH TYR 3 HH TYR 3 -11.549 7.216 -2.386 28 H LYS 4 H LYS 4 -3.179 8.213 -1.265 29 HA LYS 4 HA LYS 4 -1.073 6.619 -2.205 30 HB2 LYS 4 2HB LYS 4 0.349 8.473 -1.569 31 HB3 LYS 4 1HB LYS 4 -1.133 9.083 -2.299 32 HG2 LYS 4 2HG LYS 4 -1.370 8.832 0.577 33 HG3 LYS 4 1HG LYS 4 -0.035 9.887 0.107 34 HD2 LYS 4 2HD LYS 4 -1.561 11.177 -1.310 35 HD3 LYS 4 1HD LYS 4 -2.891 10.120 -0.840 36 HE2 LYS 4 2HE LYS 4 -3.253 11.321 0.993 37 HE3 LYS 4 1HE LYS 4 -1.578 11.107 1.506 38 HZ1 LYS 4 1HZ LYS 4 -0.988 13.120 0.718 39 HZ2 LYS 4 2HZ LYS 4 -2.631 13.467 0.927 40 HZ3 LYS 4 3HZ LYS 4 -2.041 13.054 -0.604 41 H LYS 5 H LYS 5 -2.413 7.146 0.951 42 HA LYS 5 HA LYS 5 -0.185 5.846 2.266 43 HB2 LYS 5 2HB LYS 5 -1.467 6.105 4.325 44 HB3 LYS 5 1HB LYS 5 -1.406 7.625 3.447 45 HG2 LYS 5 2HG LYS 5 -3.729 6.234 2.622 46 HG3 LYS 5 1HG LYS 5 -3.666 6.198 4.383 47 HD2 LYS 5 2HD LYS 5 -3.189 8.741 2.870 48 HD3 LYS 5 1HD LYS 5 -4.826 8.190 3.231 49 HE2 LYS 5 2HE LYS 5 -4.613 8.571 5.462 50 HE3 LYS 5 1HE LYS 5 -2.885 8.219 5.468 51 HZ1 LYS 5 1HZ LYS 5 -3.125 10.488 3.957 52 HZ2 LYS 5 2HZ LYS 5 -2.592 10.406 5.559 53 HZ3 LYS 5 3HZ LYS 5 -4.218 10.730 5.226 54 H PHE 6 H PHE 6 -3.478 5.088 1.256 55 HA PHE 6 HA PHE 6 -3.415 2.468 2.405 56 HB2 PHE 6 2HB PHE 6 -5.250 3.090 0.140 57 HB3 PHE 6 1HB PHE 6 -5.557 2.154 1.596 58 HD1 PHE 6 2HD PHE 6 -4.774 4.050 3.702 59 HD2 PHE 6 1HD PHE 6 -6.911 4.669 0.075 60 HE1 PHE 6 2HE PHE 6 -5.893 6.005 4.697 61 HE2 PHE 6 1HE PHE 6 -8.029 6.620 1.061 62 HZ PHE 6 HZ PHE 6 -7.515 7.293 3.368 63 H LYS 7 H LYS 7 -2.653 3.843 -0.713 64 HA LYS 7 HA LYS 7 -2.405 1.342 -2.034 65 HB2 LYS 7 2HB LYS 7 -1.248 2.533 -3.791 66 HB3 LYS 7 1HB LYS 7 -2.660 3.452 -3.287 67 HG2 LYS 7 2HG LYS 7 -1.164 5.136 -3.364 68 HG3 LYS 7 1HG LYS 7 -0.850 4.593 -1.714 69 HD2 LYS 7 2HD LYS 7 0.824 2.974 -3.044 70 HD3 LYS 7 1HD LYS 7 0.811 4.352 -4.148 71 HE2 LYS 7 2HE LYS 7 1.198 5.754 -2.011 72 HE3 LYS 7 1HE LYS 7 1.697 4.224 -1.293 73 HZ1 LYS 7 1HZ LYS 7 3.679 4.974 -2.098 74 HZ2 LYS 7 2HZ LYS 7 2.985 5.803 -3.399 75 HZ3 LYS 7 3HZ LYS 7 3.148 4.121 -3.460 76 H LYS 8 H LYS 8 -0.388 3.340 -0.059 77 HA LYS 8 HA LYS 8 2.111 2.282 -0.553 78 HB2 LYS 8 2HB LYS 8 2.747 3.617 1.127 79 HB3 LYS 8 1HB LYS 8 1.065 4.101 1.227 80 HG2 LYS 8 2HG LYS 8 0.675 2.522 2.995 81 HG3 LYS 8 1HG LYS 8 2.305 1.871 2.826 82 HD2 LYS 8 2HD LYS 8 3.277 3.692 3.827 83 HD3 LYS 8 1HD LYS 8 1.980 4.785 3.338 84 HE2 LYS 8 2HE LYS 8 1.545 2.599 5.350 85 HE3 LYS 8 1HE LYS 8 2.147 4.190 5.817 86 HZ1 LYS 8 1HZ LYS 8 -0.232 4.167 4.145 87 HZ2 LYS 8 2HZ LYS 8 0.149 5.143 5.474 88 HZ3 LYS 8 3HZ LYS 8 -0.433 3.574 5.718 89 H LYS 9 H LYS 9 -0.242 1.316 1.874 90 HA LYS 9 HA LYS 9 1.231 -0.948 2.681 91 HB2 LYS 9 2HB LYS 9 -1.759 -0.550 2.954 92 HB3 LYS 9 1HB LYS 9 -0.754 -1.636 3.904 93 HG2 LYS 9 2HG LYS 9 -0.257 -0.037 5.350 94 HG3 LYS 9 1HG LYS 9 0.240 1.055 4.060 95 HD2 LYS 9 2HD LYS 9 -1.595 2.275 4.363 96 HD3 LYS 9 1HD LYS 9 -2.604 0.867 4.028 97 HE2 LYS 9 2HE LYS 9 -2.907 2.057 6.281 98 HE3 LYS 9 1HE LYS 9 -2.770 0.299 6.286 99 HZ1 LYS 9 1HZ LYS 9 -0.251 1.686 6.536 100 HZ2 LYS 9 2HZ LYS 9 -0.861 0.380 7.421 101 HZ3 LYS 9 3HZ LYS 9 -1.314 1.959 7.825 102 H LEU 10 H LEU 10 -0.685 -0.279 -0.039 103 HA LEU 10 HA LEU 10 -1.195 -3.087 -0.605 104 HB2 LEU 10 2HB LEU 10 -2.049 -0.496 -1.745 105 HB3 LEU 10 1HB LEU 10 -1.852 -1.805 -2.897 106 HG LEU 10 HG LEU 10 -3.278 -2.753 -0.626 107 HD11 LEU 10 1HD1 LEU 10 -4.124 -0.638 -0.112 108 HD12 LEU 10 2HD1 LEU 10 -5.374 -1.354 -1.128 109 HD13 LEU 10 3HD1 LEU 10 -4.252 -0.175 -1.809 110 HD21 LEU 10 1HD2 LEU 10 -5.056 -2.806 -2.656 111 HD22 LEU 10 2HD2 LEU 10 -3.773 -3.994 -2.438 112 HD23 LEU 10 3HD2 LEU 10 -3.547 -2.646 -3.552 113 H LEU 11 H LEU 11 1.317 -1.007 -0.779 114 HA LEU 11 HA LEU 11 2.386 -1.885 -3.308 115 HB2 LEU 11 2HB LEU 11 3.821 -0.498 -1.040 116 HB3 LEU 11 1HB LEU 11 4.400 -0.666 -2.687 117 HG LEU 11 HG LEU 11 2.025 0.957 -1.799 118 HD11 LEU 11 1HD1 LEU 11 3.327 2.831 -1.964 119 HD12 LEU 11 2HD1 LEU 11 4.455 2.085 -3.097 120 HD13 LEU 11 3HD1 LEU 11 4.521 1.671 -1.383 121 HD21 LEU 11 1HD2 LEU 11 2.290 -0.226 -4.226 122 HD22 LEU 11 2HD2 LEU 11 3.120 1.305 -4.503 123 HD23 LEU 11 3HD2 LEU 11 1.448 1.297 -3.944 124 H LYS 12 H LYS 12 3.163 -2.337 0.135 125 HA LYS 12 HA LYS 12 5.034 -4.431 -0.442 126 HB2 LYS 12 2HB LYS 12 5.453 -4.497 1.803 127 HB3 LYS 12 1HB LYS 12 4.670 -2.928 1.747 128 HG2 LYS 12 2HG LYS 12 2.851 -5.196 2.175 129 HG3 LYS 12 1HG LYS 12 4.026 -4.921 3.457 130 HD2 LYS 12 2HD LYS 12 3.287 -2.438 3.240 131 HD3 LYS 12 1HD LYS 12 1.864 -3.125 2.454 132 HE2 LYS 12 2HE LYS 12 2.697 -4.368 4.998 133 HE3 LYS 12 1HE LYS 12 2.038 -2.734 5.100 134 HZ1 LYS 12 1HZ LYS 12 0.014 -3.420 4.217 135 HZ2 LYS 12 2HZ LYS 12 0.426 -4.677 5.272 136 HZ3 LYS 12 3HZ LYS 12 0.646 -4.866 3.607 137 H SER 13 H SER 13 1.587 -4.212 -0.023 138 HA SER 13 HA SER 13 1.279 -7.071 0.206 139 HB2 SER 13 2HB SER 13 -0.422 -5.943 1.362 140 HB3 SER 13 1HB SER 13 -0.632 -4.762 0.070 141 HG SER 13 HG SER 13 -2.021 -6.046 -0.835 142 H LEU 14 H LEU 14 1.646 -4.756 -2.236 143 HA LEU 14 HA LEU 14 0.251 -6.115 -4.280 144 HB2 LEU 14 2HB LEU 14 0.683 -4.131 -5.239 145 HB3 LEU 14 1HB LEU 14 1.890 -3.758 -4.029 146 HG LEU 14 HG LEU 14 2.719 -5.580 -6.215 147 HD11 LEU 14 1HD1 LEU 14 2.469 -2.607 -6.631 148 HD12 LEU 14 2HD1 LEU 14 1.381 -3.801 -7.335 149 HD13 LEU 14 3HD1 LEU 14 3.087 -3.798 -7.777 150 HD21 LEU 14 1HD2 LEU 14 4.000 -3.295 -4.731 151 HD22 LEU 14 2HD2 LEU 14 4.788 -4.238 -5.995 152 HD23 LEU 14 3HD2 LEU 14 4.296 -5.018 -4.493 153 H LYS 15 H LYS 15 3.433 -6.299 -2.887 154 HA LYS 15 HA LYS 15 4.351 -8.173 -4.870 155 HB2 LYS 15 2HB LYS 15 5.924 -6.574 -3.898 156 HB3 LYS 15 1HB LYS 15 5.654 -7.270 -2.308 157 HG2 LYS 15 2HG LYS 15 6.627 -8.993 -4.545 158 HG3 LYS 15 1HG LYS 15 7.750 -7.949 -3.672 159 HD2 LYS 15 2HD LYS 15 6.705 -9.033 -1.553 160 HD3 LYS 15 1HD LYS 15 6.163 -10.282 -2.672 161 HE2 LYS 15 2HE LYS 15 9.030 -9.397 -2.566 162 HE3 LYS 15 1HE LYS 15 8.404 -10.645 -1.489 163 HZ1 LYS 15 1HZ LYS 15 8.119 -12.108 -3.196 164 HZ2 LYS 15 2HZ LYS 15 9.456 -11.257 -3.785 165 HZ3 LYS 15 3HZ LYS 15 7.908 -10.903 -4.366 166 H ARG 16 H ARG 16 4.633 -8.568 -1.363 167 HA ARG 16 HA ARG 16 4.034 -11.390 -1.728 168 HB2 ARG 16 2HB ARG 16 6.028 -10.590 -0.421 169 HB3 ARG 16 1HB ARG 16 4.910 -10.013 0.805 170 HG2 ARG 16 2HG ARG 16 6.041 -12.346 1.049 171 HG3 ARG 16 1HG ARG 16 4.346 -12.131 1.491 172 HD2 ARG 16 2HD ARG 16 3.580 -13.227 -0.401 173 HD3 ARG 16 1HD ARG 16 5.073 -12.948 -1.288 174 HE ARG 16 HE ARG 16 6.063 -14.759 -0.174 175 HH11 ARG 16 1HH1 ARG 16 2.743 -14.291 0.828 176 HH12 ARG 16 2HH1 ARG 16 2.596 -15.881 1.492 177 HH21 ARG 16 1HH2 ARG 16 5.858 -16.844 0.696 178 HH22 ARG 16 2HH2 ARG 16 4.361 -17.330 1.421 179 H LEU 17 H LEU 17 2.156 -8.793 -1.189 180 HA LEU 17 HA LEU 17 -0.042 -8.639 -0.547 181 HB2 LEU 17 2HB LEU 17 -1.299 -10.487 -0.269 182 HB3 LEU 17 1HB LEU 17 0.137 -11.325 -0.809 183 HG LEU 17 HG LEU 17 0.601 -11.284 1.860 184 HD11 LEU 17 1HD1 LEU 17 -1.232 -11.158 3.152 185 HD12 LEU 17 2HD1 LEU 17 -2.233 -12.025 1.985 186 HD13 LEU 17 3HD1 LEU 17 -1.939 -10.297 1.784 187 HD21 LEU 17 1HD2 LEU 17 0.747 -13.256 0.500 188 HD22 LEU 17 2HD2 LEU 17 -1.000 -13.278 0.263 189 HD23 LEU 17 3HD2 LEU 17 -0.322 -13.598 1.860 190 H GLY 18 H GLY 18 2.522 -8.150 0.863 191 HA2 GLY 18 2HA GLY 18 3.145 -7.130 2.838 192 HA3 GLY 18 1HA GLY 18 1.437 -7.020 3.233 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 -7.811 13.595 0.297 2 H2 ALA 1 2HT ALA 1 -7.307 14.453 -1.102 3 H3 ALA 1 3HT ALA 1 -6.346 14.487 0.320 4 HA ALA 1 HA ALA 1 -6.902 12.170 -1.406 5 HB1 ALA 1 1HB ALA 1 -4.577 12.267 -1.976 6 HB2 ALA 1 2HB ALA 1 -4.300 13.578 -0.828 7 HB3 ALA 1 3HB ALA 1 -5.285 13.856 -2.264 8 H LEU 2 H LEU 2 -5.580 10.281 -0.806 9 HA LEU 2 HA LEU 2 -4.294 9.962 1.636 10 HB2 LEU 2 2HB LEU 2 -6.248 8.466 2.620 11 HB3 LEU 2 1HB LEU 2 -6.094 10.172 3.003 12 HG LEU 2 HG LEU 2 -7.679 9.776 0.608 13 HD11 LEU 2 1HD1 LEU 2 -8.771 8.546 3.132 14 HD12 LEU 2 2HD1 LEU 2 -8.192 7.630 1.741 15 HD13 LEU 2 3HD1 LEU 2 -9.588 8.694 1.577 16 HD21 LEU 2 1HD2 LEU 2 -7.728 11.306 3.118 17 HD22 LEU 2 2HD2 LEU 2 -9.309 10.923 2.440 18 HD23 LEU 2 3HD2 LEU 2 -8.127 11.803 1.474 19 H TYR 3 H TYR 3 -6.265 8.542 -0.854 20 HA TYR 3 HA TYR 3 -5.835 5.882 -0.587 21 HB2 TYR 3 2HB TYR 3 -6.050 7.615 -3.022 22 HB3 TYR 3 1HB TYR 3 -5.891 5.866 -3.150 23 HD1 TYR 3 2HD TYR 3 -7.550 6.260 -0.206 24 HD2 TYR 3 1HD TYR 3 -8.167 6.760 -4.376 25 HE1 TYR 3 2HE TYR 3 -9.939 6.000 0.130 26 HE2 TYR 3 1HE TYR 3 -10.572 6.507 -4.056 27 HH TYR 3 HH TYR 3 -12.048 6.593 -0.976 28 H LYS 4 H LYS 4 -3.465 8.205 -1.128 29 HA LYS 4 HA LYS 4 -1.711 6.436 -2.527 30 HB2 LYS 4 2HB LYS 4 -0.197 8.311 -2.552 31 HB3 LYS 4 1HB LYS 4 -1.827 8.857 -2.943 32 HG2 LYS 4 2HG LYS 4 -1.489 9.058 -0.135 33 HG3 LYS 4 1HG LYS 4 -0.093 9.807 -0.915 34 HD2 LYS 4 2HD LYS 4 -1.388 11.387 -2.005 35 HD3 LYS 4 1HD LYS 4 -2.847 10.400 -1.915 36 HE2 LYS 4 2HE LYS 4 -3.467 11.434 -0.052 37 HE3 LYS 4 1HE LYS 4 -1.954 10.987 0.734 38 HZ1 LYS 4 1HZ LYS 4 -0.919 12.952 -0.137 39 HZ2 LYS 4 2HZ LYS 4 -2.339 13.402 0.664 40 HZ3 LYS 4 3HZ LYS 4 -2.301 13.354 -1.026 41 H LYS 5 H LYS 5 -2.310 7.365 0.745 42 HA LYS 5 HA LYS 5 0.168 6.259 1.726 43 HB2 LYS 5 2HB LYS 5 -0.615 6.800 3.913 44 HB3 LYS 5 1HB LYS 5 -1.071 8.133 2.867 45 HG2 LYS 5 2HG LYS 5 -3.271 6.458 2.801 46 HG3 LYS 5 1HG LYS 5 -2.724 6.385 4.474 47 HD2 LYS 5 2HD LYS 5 -3.261 8.919 2.928 48 HD3 LYS 5 1HD LYS 5 -4.370 8.181 4.084 49 HE2 LYS 5 2HE LYS 5 -3.380 9.420 5.648 50 HE3 LYS 5 1HE LYS 5 -1.978 8.365 5.469 51 HZ1 LYS 5 1HZ LYS 5 -1.481 10.014 3.503 52 HZ2 LYS 5 2HZ LYS 5 -1.017 10.373 5.089 53 HZ3 LYS 5 3HZ LYS 5 -2.416 11.068 4.440 54 H PHE 6 H PHE 6 -3.196 5.277 1.396 55 HA PHE 6 HA PHE 6 -2.669 2.768 2.696 56 HB2 PHE 6 2HB PHE 6 -4.939 2.319 2.610 57 HB3 PHE 6 1HB PHE 6 -4.872 4.061 2.764 58 HD1 PHE 6 1HD PHE 6 -4.063 3.821 -0.485 59 HD2 PHE 6 2HD PHE 6 -7.338 2.950 2.056 60 HE1 PHE 6 1HE PHE 6 -5.573 4.078 -2.383 61 HE2 PHE 6 2HE PHE 6 -8.874 3.212 0.153 62 HZ PHE 6 HZ PHE 6 -7.971 3.803 -2.064 63 H LYS 7 H LYS 7 -2.309 4.022 -0.425 64 HA LYS 7 HA LYS 7 -2.587 1.532 -1.827 65 HB2 LYS 7 2HB LYS 7 -2.109 4.270 -2.549 66 HB3 LYS 7 1HB LYS 7 -0.834 3.283 -3.233 67 HG2 LYS 7 2HG LYS 7 -2.894 3.703 -4.666 68 HG3 LYS 7 1HG LYS 7 -2.314 2.042 -4.535 69 HD2 LYS 7 2HD LYS 7 -4.211 2.649 -2.446 70 HD3 LYS 7 1HD LYS 7 -4.900 2.973 -4.037 71 HE2 LYS 7 2HE LYS 7 -4.043 0.668 -4.695 72 HE3 LYS 7 1HE LYS 7 -3.772 0.397 -2.974 73 HZ1 LYS 7 1HZ LYS 7 -5.941 0.103 -2.610 74 HZ2 LYS 7 2HZ LYS 7 -6.080 -0.105 -4.283 75 HZ3 LYS 7 3HZ LYS 7 -6.399 1.404 -3.591 76 H LYS 8 H LYS 8 -0.231 3.409 -0.164 77 HA LYS 8 HA LYS 8 2.169 2.227 -0.909 78 HB2 LYS 8 2HB LYS 8 1.124 3.887 1.241 79 HB3 LYS 8 1HB LYS 8 2.441 2.844 1.776 80 HG2 LYS 8 2HG LYS 8 3.076 5.149 0.946 81 HG3 LYS 8 1HG LYS 8 3.944 3.789 0.222 82 HD2 LYS 8 2HD LYS 8 3.134 4.228 -1.810 83 HD3 LYS 8 1HD LYS 8 1.490 4.401 -1.188 84 HE2 LYS 8 2HE LYS 8 2.134 6.699 -0.406 85 HE3 LYS 8 1HE LYS 8 3.658 6.499 -1.269 86 HZ1 LYS 8 1HZ LYS 8 1.063 6.167 -2.641 87 HZ2 LYS 8 2HZ LYS 8 2.581 6.483 -3.317 88 HZ3 LYS 8 3HZ LYS 8 1.770 7.694 -2.458 89 H LYS 9 H LYS 9 0.049 1.580 1.774 90 HA LYS 9 HA LYS 9 1.400 -0.729 2.679 91 HB2 LYS 9 2HB LYS 9 -0.326 -1.031 4.194 92 HB3 LYS 9 1HB LYS 9 -0.477 0.684 3.845 93 HG2 LYS 9 2HG LYS 9 -2.080 -0.526 1.938 94 HG3 LYS 9 1HG LYS 9 -2.354 -1.476 3.399 95 HD2 LYS 9 2HD LYS 9 -2.309 1.365 3.958 96 HD3 LYS 9 1HD LYS 9 -3.520 0.958 2.743 97 HE2 LYS 9 2HE LYS 9 -3.244 -0.234 5.498 98 HE3 LYS 9 1HE LYS 9 -4.522 0.841 4.932 99 HZ1 LYS 9 1HZ LYS 9 -4.887 -1.021 3.189 100 HZ2 LYS 9 2HZ LYS 9 -5.501 -1.215 4.753 101 HZ3 LYS 9 3HZ LYS 9 -4.070 -1.997 4.303 102 H LEU 10 H LEU 10 -0.757 -0.165 0.067 103 HA LEU 10 HA LEU 10 -1.417 -2.954 -0.297 104 HB2 LEU 10 2HB LEU 10 -2.856 -0.991 -1.047 105 HB3 LEU 10 1HB LEU 10 -1.691 -0.745 -2.333 106 HG LEU 10 HG LEU 10 -2.946 -3.433 -2.018 107 HD11 LEU 10 1HD1 LEU 10 -4.599 -1.319 -2.085 108 HD12 LEU 10 2HD1 LEU 10 -4.962 -2.865 -2.853 109 HD13 LEU 10 3HD1 LEU 10 -4.314 -1.536 -3.813 110 HD21 LEU 10 1HD2 LEU 10 -2.808 -2.791 -4.674 111 HD22 LEU 10 2HD2 LEU 10 -1.584 -3.687 -3.776 112 HD23 LEU 10 3HD2 LEU 10 -1.406 -1.949 -4.010 113 H LEU 11 H LEU 11 1.258 -1.018 -0.834 114 HA LEU 11 HA LEU 11 2.248 -2.299 -3.212 115 HB2 LEU 11 2HB LEU 11 3.862 -0.896 -1.086 116 HB3 LEU 11 1HB LEU 11 4.304 -1.154 -2.764 117 HG LEU 11 HG LEU 11 2.063 0.635 -1.824 118 HD11 LEU 11 1HD1 LEU 11 4.877 1.229 -2.737 119 HD12 LEU 11 2HD1 LEU 11 4.143 1.622 -1.181 120 HD13 LEU 11 3HD1 LEU 11 3.602 2.444 -2.645 121 HD21 LEU 11 1HD2 LEU 11 3.050 -0.233 -4.492 122 HD22 LEU 11 2HD2 LEU 11 2.506 1.435 -4.304 123 HD23 LEU 11 3HD2 LEU 11 1.407 0.103 -3.945 124 H LYS 12 H LYS 12 2.785 -2.471 0.259 125 HA LYS 12 HA LYS 12 4.625 -4.586 0.285 126 HB2 LYS 12 2HB LYS 12 4.481 -3.716 2.390 127 HB3 LYS 12 1HB LYS 12 2.779 -3.318 2.218 128 HG2 LYS 12 2HG LYS 12 3.627 -6.161 2.536 129 HG3 LYS 12 1HG LYS 12 3.510 -5.099 3.939 130 HD2 LYS 12 2HD LYS 12 1.155 -4.556 2.776 131 HD3 LYS 12 1HD LYS 12 1.381 -6.213 2.212 132 HE2 LYS 12 2HE LYS 12 1.708 -6.943 4.533 133 HE3 LYS 12 1HE LYS 12 1.446 -5.288 5.082 134 HZ1 LYS 12 1HZ LYS 12 -0.743 -5.542 4.947 135 HZ2 LYS 12 2HZ LYS 12 -0.471 -7.200 4.764 136 HZ3 LYS 12 3HZ LYS 12 -0.669 -6.222 3.399 137 H SER 13 H SER 13 1.103 -4.478 0.100 138 HA SER 13 HA SER 13 0.719 -7.299 0.325 139 HB2 SER 13 2HB SER 13 -1.554 -6.879 -0.207 140 HB3 SER 13 1HB SER 13 -1.032 -5.437 0.663 141 HG SER 13 HG SER 13 -1.453 -5.780 -2.106 142 H LEU 14 H LEU 14 1.210 -5.035 -2.309 143 HA LEU 14 HA LEU 14 0.716 -6.808 -4.449 144 HB2 LEU 14 2HB LEU 14 0.839 -4.795 -5.424 145 HB3 LEU 14 1HB LEU 14 1.731 -4.116 -4.080 146 HG LEU 14 HG LEU 14 3.235 -5.810 -6.017 147 HD11 LEU 14 1HD1 LEU 14 1.897 -4.426 -7.491 148 HD12 LEU 14 2HD1 LEU 14 3.573 -3.874 -7.490 149 HD13 LEU 14 3HD1 LEU 14 2.351 -2.985 -6.581 150 HD21 LEU 14 1HD2 LEU 14 4.636 -5.042 -4.368 151 HD22 LEU 14 2HD2 LEU 14 3.756 -3.527 -4.176 152 HD23 LEU 14 3HD2 LEU 14 4.812 -3.764 -5.568 153 H LYS 15 H LYS 15 3.600 -5.986 -2.602 154 HA LYS 15 HA LYS 15 5.566 -7.266 -4.043 155 HB2 LYS 15 2HB LYS 15 6.057 -5.933 -2.058 156 HB3 LYS 15 1HB LYS 15 5.262 -7.120 -1.036 157 HG2 LYS 15 2HG LYS 15 7.518 -8.030 -2.740 158 HG3 LYS 15 1HG LYS 15 7.881 -7.057 -1.314 159 HD2 LYS 15 2HD LYS 15 6.439 -8.691 -0.010 160 HD3 LYS 15 1HD LYS 15 6.481 -9.718 -1.442 161 HE2 LYS 15 2HE LYS 15 8.195 -10.340 0.211 162 HE3 LYS 15 1HE LYS 15 8.892 -9.842 -1.330 163 HZ1 LYS 15 1HZ LYS 15 8.574 -7.913 0.882 164 HZ2 LYS 15 2HZ LYS 15 9.623 -7.842 -0.443 165 HZ3 LYS 15 3HZ LYS 15 9.919 -8.937 0.812 166 H ARG 16 H ARG 16 3.857 -8.698 -1.258 167 HA ARG 16 HA ARG 16 4.554 -11.358 -2.228 168 HB2 ARG 16 2HB ARG 16 4.707 -10.611 0.226 169 HB3 ARG 16 1HB ARG 16 2.954 -10.754 0.254 170 HG2 ARG 16 2HG ARG 16 3.435 -13.136 -0.707 171 HG3 ARG 16 1HG ARG 16 5.026 -12.874 0.010 172 HD2 ARG 16 2HD ARG 16 4.250 -13.221 2.069 173 HD3 ARG 16 1HD ARG 16 2.893 -12.126 1.819 174 HE ARG 16 HE ARG 16 1.598 -13.980 1.651 175 HH11 ARG 16 1HH1 ARG 16 4.791 -14.815 0.503 176 HH12 ARG 16 2HH1 ARG 16 4.362 -16.450 0.130 177 HH21 ARG 16 1HH2 ARG 16 1.039 -16.128 1.170 178 HH22 ARG 16 2HH2 ARG 16 2.232 -17.198 0.514 179 H LEU 17 H LEU 17 1.549 -10.067 -0.827 180 HA LEU 17 HA LEU 17 -0.206 -10.168 -2.865 181 HB2 LEU 17 2HB LEU 17 -1.253 -12.468 -2.638 182 HB3 LEU 17 1HB LEU 17 0.265 -12.386 -3.508 183 HG LEU 17 HG LEU 17 1.412 -13.113 -1.377 184 HD11 LEU 17 1HD1 LEU 17 -0.129 -12.603 0.308 185 HD12 LEU 17 2HD1 LEU 17 -0.161 -14.362 0.190 186 HD13 LEU 17 3HD1 LEU 17 -1.453 -13.407 -0.537 187 HD21 LEU 17 1HD2 LEU 17 0.444 -15.507 -1.588 188 HD22 LEU 17 2HD2 LEU 17 1.255 -14.782 -2.976 189 HD23 LEU 17 3HD2 LEU 17 -0.507 -14.825 -2.907 190 H GLY 18 H GLY 18 0.159 -9.009 -0.303 191 HA2 GLY 18 2HA GLY 18 -1.384 -8.102 1.196 192 HA3 GLY 18 1HA GLY 18 -2.530 -9.353 0.739 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 -7.293 13.980 0.754 2 H2 ALA 1 2HT ALA 1 -8.647 13.082 0.201 3 H3 ALA 1 3HT ALA 1 -7.862 14.188 -0.851 4 HA ALA 1 HA ALA 1 -7.374 11.816 -1.226 5 HB1 ALA 1 1HB ALA 1 -5.138 12.252 -1.815 6 HB2 ALA 1 2HB ALA 1 -4.946 13.439 -0.525 7 HB3 ALA 1 3HB ALA 1 -5.964 13.807 -1.917 8 H LEU 2 H LEU 2 -6.102 10.015 -0.582 9 HA LEU 2 HA LEU 2 -4.756 9.838 1.891 10 HB2 LEU 2 2HB LEU 2 -6.670 8.016 2.572 11 HB3 LEU 2 1HB LEU 2 -6.470 9.600 3.293 12 HG LEU 2 HG LEU 2 -8.109 9.633 0.866 13 HD11 LEU 2 1HD1 LEU 2 -10.067 8.732 2.404 14 HD12 LEU 2 2HD1 LEU 2 -8.751 7.765 3.074 15 HD13 LEU 2 3HD1 LEU 2 -9.130 7.667 1.355 16 HD21 LEU 2 1HD2 LEU 2 -7.778 11.101 3.267 17 HD22 LEU 2 2HD2 LEU 2 -9.450 10.543 3.203 18 HD23 LEU 2 3HD2 LEU 2 -8.785 11.488 1.872 19 H TYR 3 H TYR 3 -6.554 8.153 -0.584 20 HA TYR 3 HA TYR 3 -5.801 5.574 -0.425 21 HB2 TYR 3 2HB TYR 3 -5.781 7.333 -2.870 22 HB3 TYR 3 1HB TYR 3 -5.531 5.592 -2.947 23 HD1 TYR 3 2HD TYR 3 -7.336 4.051 -2.381 24 HD2 TYR 3 1HD TYR 3 -7.917 8.258 -2.454 25 HE1 TYR 3 2HE TYR 3 -9.770 3.711 -2.419 26 HE2 TYR 3 1HE TYR 3 -10.336 7.943 -2.489 27 HH TYR 3 HH TYR 3 -11.979 6.113 -1.763 28 H LYS 4 H LYS 4 -3.799 8.259 -1.255 29 HA LYS 4 HA LYS 4 -1.613 7.025 -2.306 30 HB2 LYS 4 2HB LYS 4 -0.321 8.952 -1.596 31 HB3 LYS 4 1HB LYS 4 -1.903 9.436 -2.190 32 HG2 LYS 4 2HG LYS 4 -1.787 9.009 0.704 33 HG3 LYS 4 1HG LYS 4 -0.768 10.316 0.109 34 HD2 LYS 4 2HD LYS 4 -2.754 11.203 -1.119 35 HD3 LYS 4 1HD LYS 4 -3.733 9.977 -0.312 36 HE2 LYS 4 2HE LYS 4 -4.034 11.505 1.288 37 HE3 LYS 4 1HE LYS 4 -2.380 11.134 1.774 38 HZ1 LYS 4 1HZ LYS 4 -1.566 13.010 0.738 39 HZ2 LYS 4 2HZ LYS 4 -3.048 13.567 1.335 40 HZ3 LYS 4 3HZ LYS 4 -2.894 13.161 -0.300 41 H LYS 5 H LYS 5 -2.452 7.387 1.071 42 HA LYS 5 HA LYS 5 -0.081 6.043 1.993 43 HB2 LYS 5 2HB LYS 5 -1.142 6.069 4.186 44 HB3 LYS 5 1HB LYS 5 -1.274 7.649 3.432 45 HG2 LYS 5 2HG LYS 5 -3.573 6.161 2.736 46 HG3 LYS 5 1HG LYS 5 -3.326 5.997 4.472 47 HD2 LYS 5 2HD LYS 5 -3.208 8.669 3.106 48 HD3 LYS 5 1HD LYS 5 -4.738 7.970 3.640 49 HE2 LYS 5 2HE LYS 5 -4.220 8.182 5.858 50 HE3 LYS 5 1HE LYS 5 -2.484 8.068 5.575 51 HZ1 LYS 5 1HZ LYS 5 -3.772 10.401 4.439 52 HZ2 LYS 5 2HZ LYS 5 -2.305 10.270 5.270 53 HZ3 LYS 5 3HZ LYS 5 -3.759 10.347 6.130 54 H PHE 6 H PHE 6 -3.332 5.199 1.080 55 HA PHE 6 HA PHE 6 -3.218 2.570 2.139 56 HB2 PHE 6 2HB PHE 6 -5.036 3.446 -0.095 57 HB3 PHE 6 1HB PHE 6 -5.298 2.138 1.053 58 HD1 PHE 6 2HD PHE 6 -4.223 4.023 3.399 59 HD2 PHE 6 1HD PHE 6 -7.253 4.315 0.426 60 HE1 PHE 6 2HE PHE 6 -5.483 5.569 4.839 61 HE2 PHE 6 1HE PHE 6 -8.518 5.858 1.861 62 HZ PHE 6 HZ PHE 6 -7.628 6.491 4.063 63 H LYS 7 H LYS 7 -2.235 3.959 -0.901 64 HA LYS 7 HA LYS 7 -2.019 1.470 -2.263 65 HB2 LYS 7 2HB LYS 7 -0.196 3.772 -2.851 66 HB3 LYS 7 1HB LYS 7 -0.819 2.563 -3.956 67 HG2 LYS 7 2HG LYS 7 -2.872 3.611 -4.164 68 HG3 LYS 7 1HG LYS 7 -2.669 4.520 -2.670 69 HD2 LYS 7 2HD LYS 7 -1.433 5.005 -5.352 70 HD3 LYS 7 1HD LYS 7 -2.321 6.128 -4.321 71 HE2 LYS 7 2HE LYS 7 -0.354 5.740 -2.663 72 HE3 LYS 7 1HE LYS 7 0.505 5.172 -4.094 73 HZ1 LYS 7 1HZ LYS 7 -0.582 7.509 -4.927 74 HZ2 LYS 7 2HZ LYS 7 1.010 7.310 -4.393 75 HZ3 LYS 7 3HZ LYS 7 -0.176 7.856 -3.321 76 H LYS 8 H LYS 8 -0.015 3.407 -0.193 77 HA LYS 8 HA LYS 8 2.461 2.237 -0.381 78 HB2 LYS 8 2HB LYS 8 0.927 3.558 1.773 79 HB3 LYS 8 1HB LYS 8 2.307 2.605 2.291 80 HG2 LYS 8 2HG LYS 8 2.829 4.979 1.975 81 HG3 LYS 8 1HG LYS 8 3.782 3.926 0.926 82 HD2 LYS 8 2HD LYS 8 1.595 4.457 -0.624 83 HD3 LYS 8 1HD LYS 8 1.805 5.976 0.250 84 HE2 LYS 8 2HE LYS 8 4.334 5.593 -0.418 85 HE3 LYS 8 1HE LYS 8 3.601 4.643 -1.710 86 HZ1 LYS 8 1HZ LYS 8 2.743 7.414 -1.136 87 HZ2 LYS 8 2HZ LYS 8 2.491 6.507 -2.540 88 HZ3 LYS 8 3HZ LYS 8 4.038 7.080 -2.172 89 H LYS 9 H LYS 9 -0.121 1.364 1.810 90 HA LYS 9 HA LYS 9 1.079 -1.041 2.704 91 HB2 LYS 9 2HB LYS 9 -1.854 -0.293 2.710 92 HB3 LYS 9 1HB LYS 9 -1.112 -1.566 3.673 93 HG2 LYS 9 2HG LYS 9 -0.757 -0.092 5.284 94 HG3 LYS 9 1HG LYS 9 0.341 0.775 4.211 95 HD2 LYS 9 2HD LYS 9 -1.836 1.828 3.265 96 HD3 LYS 9 1HD LYS 9 -2.544 1.301 4.794 97 HE2 LYS 9 2HE LYS 9 -0.233 3.190 4.381 98 HE3 LYS 9 1HE LYS 9 -1.811 3.554 5.076 99 HZ1 LYS 9 1HZ LYS 9 0.514 2.331 6.299 100 HZ2 LYS 9 2HZ LYS 9 -0.966 1.619 6.704 101 HZ3 LYS 9 3HZ LYS 9 -0.713 3.266 6.995 102 H LEU 10 H LEU 10 -0.549 -0.216 -0.165 103 HA LEU 10 HA LEU 10 -1.154 -2.996 -0.781 104 HB2 LEU 10 2HB LEU 10 -2.031 -0.408 -1.788 105 HB3 LEU 10 1HB LEU 10 -1.594 -1.506 -3.087 106 HG LEU 10 HG LEU 10 -3.158 -2.919 -1.174 107 HD11 LEU 10 1HD1 LEU 10 -4.999 -1.679 -0.779 108 HD12 LEU 10 2HD1 LEU 10 -4.884 -0.819 -2.315 109 HD13 LEU 10 3HD1 LEU 10 -3.864 -0.340 -0.958 110 HD21 LEU 10 1HD2 LEU 10 -4.345 -3.620 -3.035 111 HD22 LEU 10 2HD2 LEU 10 -2.775 -3.204 -3.722 112 HD23 LEU 10 3HD2 LEU 10 -4.128 -2.085 -3.877 113 H LEU 11 H LEU 11 1.451 -1.067 -0.752 114 HA LEU 11 HA LEU 11 2.643 -1.944 -3.241 115 HB2 LEU 11 2HB LEU 11 3.946 -0.579 -0.877 116 HB3 LEU 11 1HB LEU 11 4.645 -0.775 -2.473 117 HG LEU 11 HG LEU 11 2.272 0.937 -1.752 118 HD11 LEU 11 1HD1 LEU 11 3.736 2.780 -2.449 119 HD12 LEU 11 2HD1 LEU 11 5.053 1.630 -2.685 120 HD13 LEU 11 3HD1 LEU 11 4.391 1.895 -1.072 121 HD21 LEU 11 1HD2 LEU 11 2.806 -0.308 -4.201 122 HD22 LEU 11 2HD2 LEU 11 3.328 1.364 -4.393 123 HD23 LEU 11 3HD2 LEU 11 1.675 1.007 -3.891 124 H LYS 12 H LYS 12 3.012 -2.487 0.240 125 HA LYS 12 HA LYS 12 4.903 -4.613 -0.116 126 HB2 LYS 12 2HB LYS 12 5.075 -4.604 2.146 127 HB3 LYS 12 1HB LYS 12 4.164 -3.109 2.040 128 HG2 LYS 12 2HG LYS 12 2.431 -5.445 2.159 129 HG3 LYS 12 1HG LYS 12 3.516 -5.333 3.542 130 HD2 LYS 12 2HD LYS 12 2.777 -2.942 3.789 131 HD3 LYS 12 1HD LYS 12 1.549 -3.275 2.569 132 HE2 LYS 12 2HE LYS 12 1.774 -5.046 4.963 133 HE3 LYS 12 1HE LYS 12 0.973 -3.482 5.109 134 HZ1 LYS 12 1HZ LYS 12 -0.627 -4.105 3.501 135 HZ2 LYS 12 2HZ LYS 12 -0.513 -5.403 4.581 136 HZ3 LYS 12 3HZ LYS 12 0.229 -5.498 3.064 137 H SER 13 H SER 13 1.430 -4.300 0.005 138 HA SER 13 HA SER 13 0.993 -7.136 0.141 139 HB2 SER 13 2HB SER 13 -1.226 -6.637 0.411 140 HB3 SER 13 1HB SER 13 -0.576 -5.051 0.822 141 HG SER 13 HG SER 13 -1.662 -5.910 -1.648 142 H LEU 14 H LEU 14 1.599 -4.789 -2.269 143 HA LEU 14 HA LEU 14 0.404 -6.161 -4.425 144 HB2 LEU 14 2HB LEU 14 0.910 -4.166 -5.332 145 HB3 LEU 14 1HB LEU 14 2.042 -3.812 -4.044 146 HG LEU 14 HG LEU 14 3.034 -5.663 -6.120 147 HD11 LEU 14 1HD1 LEU 14 2.694 -2.734 -6.725 148 HD12 LEU 14 2HD1 LEU 14 1.718 -4.022 -7.431 149 HD13 LEU 14 3HD1 LEU 14 3.451 -3.955 -7.748 150 HD21 LEU 14 1HD2 LEU 14 5.027 -4.175 -5.859 151 HD22 LEU 14 2HD2 LEU 14 4.514 -4.988 -4.379 152 HD23 LEU 14 3HD2 LEU 14 4.125 -3.287 -4.630 153 H LYS 15 H LYS 15 3.458 -6.333 -2.769 154 HA LYS 15 HA LYS 15 4.592 -8.146 -4.684 155 HB2 LYS 15 2HB LYS 15 6.020 -6.571 -3.483 156 HB3 LYS 15 1HB LYS 15 5.570 -7.318 -1.958 157 HG2 LYS 15 2HG LYS 15 6.821 -8.969 -4.106 158 HG3 LYS 15 1HG LYS 15 7.822 -7.926 -3.093 159 HD2 LYS 15 2HD LYS 15 6.557 -9.063 -1.123 160 HD3 LYS 15 1HD LYS 15 6.174 -10.304 -2.319 161 HE2 LYS 15 2HE LYS 15 8.872 -9.452 -1.312 162 HE3 LYS 15 1HE LYS 15 8.135 -11.055 -1.269 163 HZ1 LYS 15 1HZ LYS 15 9.647 -9.797 -3.357 164 HZ2 LYS 15 2HZ LYS 15 8.193 -10.456 -3.915 165 HZ3 LYS 15 3HZ LYS 15 9.307 -11.436 -3.106 166 H ARG 16 H ARG 16 4.478 -8.674 -1.187 167 HA ARG 16 HA ARG 16 3.983 -11.492 -1.701 168 HB2 ARG 16 2HB ARG 16 5.780 -10.777 -0.142 169 HB3 ARG 16 1HB ARG 16 4.549 -10.123 0.929 170 HG2 ARG 16 2HG ARG 16 5.543 -12.496 1.355 171 HG3 ARG 16 1HG ARG 16 3.821 -12.195 1.591 172 HD2 ARG 16 2HD ARG 16 3.338 -13.107 -0.608 173 HD3 ARG 16 1HD ARG 16 5.058 -13.351 -0.905 174 HE ARG 16 HE ARG 16 4.225 -14.703 1.452 175 HH11 ARG 16 1HH1 ARG 16 4.158 -14.914 -2.032 176 HH12 ARG 16 2HH1 ARG 16 4.030 -16.640 -2.049 177 HH21 ARG 16 1HH2 ARG 16 4.057 -16.970 1.432 178 HH22 ARG 16 2HH2 ARG 16 3.971 -17.810 -0.081 179 H LEU 17 H LEU 17 1.978 -8.945 -1.350 180 HA LEU 17 HA LEU 17 -0.290 -8.873 -0.973 181 HB2 LEU 17 2HB LEU 17 -1.499 -10.777 -0.927 182 HB3 LEU 17 1HB LEU 17 0.027 -11.534 -1.328 183 HG LEU 17 HG LEU 17 0.126 -11.548 1.406 184 HD11 LEU 17 1HD1 LEU 17 -1.884 -11.650 2.393 185 HD12 LEU 17 2HD1 LEU 17 -2.599 -12.557 1.060 186 HD13 LEU 17 3HD1 LEU 17 -2.455 -10.805 0.954 187 HD21 LEU 17 1HD2 LEU 17 0.704 -13.531 0.468 188 HD22 LEU 17 2HD2 LEU 17 -0.622 -13.495 -0.695 189 HD23 LEU 17 3HD2 LEU 17 -0.930 -13.953 0.980 190 H GLY 18 H GLY 18 2.056 -8.402 0.803 191 HA2 GLY 18 2HA GLY 18 2.271 -7.351 2.861 192 HA3 GLY 18 1HA GLY 18 0.551 -7.591 3.127 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 -7.040 12.884 1.681 2 H2 ALA 1 2HT ALA 1 -6.448 13.871 0.407 3 H3 ALA 1 3HT ALA 1 -5.423 13.450 1.718 4 HA ALA 1 HA ALA 1 -6.382 11.822 -0.504 5 HB1 ALA 1 1HB ALA 1 -4.206 11.676 -1.066 6 HB2 ALA 1 2HB ALA 1 -3.672 11.564 0.611 7 HB3 ALA 1 3HB ALA 1 -4.061 13.135 -0.086 8 H LEU 2 H LEU 2 -5.615 9.506 -0.351 9 HA LEU 2 HA LEU 2 -5.401 8.346 2.258 10 HB2 LEU 2 2HB LEU 2 -7.576 6.907 1.175 11 HB3 LEU 2 1HB LEU 2 -7.524 7.829 2.663 12 HG LEU 2 HG LEU 2 -8.047 9.301 0.121 13 HD11 LEU 2 1HD1 LEU 2 -10.339 8.747 0.068 14 HD12 LEU 2 2HD1 LEU 2 -10.239 7.861 1.589 15 HD13 LEU 2 3HD1 LEU 2 -9.473 7.213 0.139 16 HD21 LEU 2 1HD2 LEU 2 -8.388 10.917 1.605 17 HD22 LEU 2 2HD2 LEU 2 -8.176 9.785 2.940 18 HD23 LEU 2 3HD2 LEU 2 -9.772 10.017 2.227 19 H TYR 3 H TYR 3 -6.233 7.665 -1.092 20 HA TYR 3 HA TYR 3 -5.281 5.064 -1.241 21 HB2 TYR 3 2HB TYR 3 -4.932 6.934 -3.555 22 HB3 TYR 3 1HB TYR 3 -5.358 5.229 -3.565 23 HD1 TYR 3 1HD TYR 3 -6.639 8.607 -2.802 24 HD2 TYR 3 2HD TYR 3 -7.584 4.543 -3.551 25 HE1 TYR 3 1HE TYR 3 -9.009 9.206 -2.978 26 HE2 TYR 3 2HE TYR 3 -9.962 5.110 -3.729 27 HH TYR 3 HH TYR 3 -11.308 7.773 -2.602 28 H LYS 4 H LYS 4 -3.498 7.938 -0.766 29 HA LYS 4 HA LYS 4 -1.151 6.914 -2.012 30 HB2 LYS 4 2HB LYS 4 -1.041 9.085 0.038 31 HB3 LYS 4 1HB LYS 4 -0.026 8.868 -1.374 32 HG2 LYS 4 2HG LYS 4 -2.623 10.226 -1.073 33 HG3 LYS 4 1HG LYS 4 -1.231 10.642 -2.065 34 HD2 LYS 4 2HD LYS 4 -2.382 9.908 -3.817 35 HD3 LYS 4 1HD LYS 4 -2.205 8.276 -3.170 36 HE2 LYS 4 2HE LYS 4 -4.328 8.200 -2.439 37 HE3 LYS 4 1HE LYS 4 -4.333 9.883 -1.946 38 HZ1 LYS 4 1HZ LYS 4 -5.153 8.692 -4.455 39 HZ2 LYS 4 2HZ LYS 4 -4.253 10.116 -4.608 40 HZ3 LYS 4 3HZ LYS 4 -5.684 10.113 -3.706 41 H LYS 5 H LYS 5 -2.284 7.277 1.273 42 HA LYS 5 HA LYS 5 0.060 5.969 2.243 43 HB2 LYS 5 2HB LYS 5 -1.131 6.017 4.465 44 HB3 LYS 5 1HB LYS 5 -0.872 7.590 3.724 45 HG2 LYS 5 2HG LYS 5 -3.410 6.444 2.946 46 HG3 LYS 5 1HG LYS 5 -3.259 6.583 4.697 47 HD2 LYS 5 2HD LYS 5 -2.303 8.986 3.967 48 HD3 LYS 5 1HD LYS 5 -3.412 8.689 2.627 49 HE2 LYS 5 2HE LYS 5 -5.238 8.333 4.196 50 HE3 LYS 5 1HE LYS 5 -4.136 8.557 5.554 51 HZ1 LYS 5 1HZ LYS 5 -4.716 10.630 3.507 52 HZ2 LYS 5 2HZ LYS 5 -3.796 10.826 4.912 53 HZ3 LYS 5 3HZ LYS 5 -5.460 10.549 5.025 54 H PHE 6 H PHE 6 -3.206 5.102 1.455 55 HA PHE 6 HA PHE 6 -2.839 2.470 2.554 56 HB2 PHE 6 2HB PHE 6 -5.082 2.226 2.482 57 HB3 PHE 6 1HB PHE 6 -5.009 3.977 2.395 58 HD1 PHE 6 1HD PHE 6 -4.776 1.201 -0.124 59 HD2 PHE 6 2HD PHE 6 -6.591 4.853 1.090 60 HE1 PHE 6 1HE PHE 6 -6.142 1.198 -2.164 61 HE2 PHE 6 2HE PHE 6 -7.963 4.851 -0.948 62 HZ PHE 6 HZ PHE 6 -7.727 3.031 -2.569 63 H LYS 7 H LYS 7 -2.450 3.989 -0.548 64 HA LYS 7 HA LYS 7 -2.505 1.482 -1.972 65 HB2 LYS 7 2HB LYS 7 -2.817 3.468 -3.305 66 HB3 LYS 7 1HB LYS 7 -1.303 4.147 -2.722 67 HG2 LYS 7 2HG LYS 7 -0.650 1.670 -3.855 68 HG3 LYS 7 1HG LYS 7 -1.784 2.434 -4.968 69 HD2 LYS 7 2HD LYS 7 0.606 2.968 -5.428 70 HD3 LYS 7 1HD LYS 7 -0.403 4.385 -5.137 71 HE2 LYS 7 2HE LYS 7 0.557 3.659 -2.618 72 HE3 LYS 7 1HE LYS 7 1.929 3.450 -3.706 73 HZ1 LYS 7 1HZ LYS 7 0.969 5.809 -4.517 74 HZ2 LYS 7 2HZ LYS 7 2.191 5.635 -3.360 75 HZ3 LYS 7 3HZ LYS 7 0.590 5.873 -2.868 76 H LYS 8 H LYS 8 -0.289 3.446 -0.184 77 HA LYS 8 HA LYS 8 2.178 2.318 -0.819 78 HB2 LYS 8 2HB LYS 8 0.965 3.851 1.357 79 HB3 LYS 8 1HB LYS 8 2.285 2.816 1.898 80 HG2 LYS 8 2HG LYS 8 2.846 5.207 1.209 81 HG3 LYS 8 1HG LYS 8 3.846 3.911 0.543 82 HD2 LYS 8 2HD LYS 8 3.170 4.311 -1.551 83 HD3 LYS 8 1HD LYS 8 1.483 4.491 -1.058 84 HE2 LYS 8 2HE LYS 8 1.708 6.677 -1.449 85 HE3 LYS 8 1HE LYS 8 2.764 6.745 -0.039 86 HZ1 LYS 8 1HZ LYS 8 4.001 5.891 -2.529 87 HZ2 LYS 8 2HZ LYS 8 4.601 6.897 -1.310 88 HZ3 LYS 8 3HZ LYS 8 3.522 7.513 -2.457 89 H LYS 9 H LYS 9 -0.208 1.524 1.571 90 HA LYS 9 HA LYS 9 1.057 -0.804 2.566 91 HB2 LYS 9 2HB LYS 9 -1.604 0.461 2.836 92 HB3 LYS 9 1HB LYS 9 -1.569 -1.277 3.091 93 HG2 LYS 9 2HG LYS 9 -1.246 -0.485 5.217 94 HG3 LYS 9 1HG LYS 9 0.414 -0.740 4.679 95 HD2 LYS 9 2HD LYS 9 0.758 1.370 5.346 96 HD3 LYS 9 1HD LYS 9 -0.077 1.827 3.861 97 HE2 LYS 9 2HE LYS 9 -1.036 3.013 5.734 98 HE3 LYS 9 1HE LYS 9 -2.207 1.857 5.102 99 HZ1 LYS 9 1HZ LYS 9 -0.494 0.910 7.255 100 HZ2 LYS 9 2HZ LYS 9 -2.138 0.628 6.975 101 HZ3 LYS 9 3HZ LYS 9 -1.638 2.083 7.678 102 H LEU 10 H LEU 10 -0.715 -0.135 -0.282 103 HA LEU 10 HA LEU 10 -1.306 -2.938 -0.776 104 HB2 LEU 10 2HB LEU 10 -2.701 -0.822 -1.516 105 HB3 LEU 10 1HB LEU 10 -1.581 -0.813 -2.866 106 HG LEU 10 HG LEU 10 -2.846 -3.409 -2.280 107 HD11 LEU 10 1HD1 LEU 10 -4.410 -0.981 -3.009 108 HD12 LEU 10 2HD1 LEU 10 -4.853 -2.340 -1.976 109 HD13 LEU 10 3HD1 LEU 10 -4.843 -2.530 -3.730 110 HD21 LEU 10 1HD2 LEU 10 -3.186 -2.924 -4.913 111 HD22 LEU 10 2HD2 LEU 10 -1.724 -3.623 -4.220 112 HD23 LEU 10 3HD2 LEU 10 -1.793 -1.897 -4.575 113 H LEU 11 H LEU 11 1.318 -0.968 -0.934 114 HA LEU 11 HA LEU 11 2.461 -1.994 -3.389 115 HB2 LEU 11 2HB LEU 11 3.833 -0.528 -1.132 116 HB3 LEU 11 1HB LEU 11 4.455 -0.774 -2.753 117 HG LEU 11 HG LEU 11 2.098 0.935 -1.979 118 HD11 LEU 11 1HD1 LEU 11 3.654 2.677 -3.079 119 HD12 LEU 11 2HD1 LEU 11 4.927 1.490 -2.797 120 HD13 LEU 11 3HD1 LEU 11 4.013 2.144 -1.438 121 HD21 LEU 11 1HD2 LEU 11 3.022 -0.122 -4.581 122 HD22 LEU 11 2HD2 LEU 11 2.552 1.576 -4.532 123 HD23 LEU 11 3HD2 LEU 11 1.403 0.328 -4.047 124 H LYS 12 H LYS 12 2.813 -2.387 0.091 125 HA LYS 12 HA LYS 12 4.765 -4.469 -0.117 126 HB2 LYS 12 2HB LYS 12 4.896 -4.223 2.119 127 HB3 LYS 12 1HB LYS 12 3.740 -2.915 1.955 128 HG2 LYS 12 2HG LYS 12 2.261 -5.333 2.073 129 HG3 LYS 12 1HG LYS 12 3.472 -5.379 3.351 130 HD2 LYS 12 2HD LYS 12 2.648 -2.921 3.775 131 HD3 LYS 12 1HD LYS 12 1.202 -3.492 2.941 132 HE2 LYS 12 2HE LYS 12 2.281 -5.228 5.080 133 HE3 LYS 12 1HE LYS 12 1.545 -3.708 5.586 134 HZ1 LYS 12 1HZ LYS 12 -0.483 -4.470 5.131 135 HZ2 LYS 12 2HZ LYS 12 0.212 -6.011 5.057 136 HZ3 LYS 12 3HZ LYS 12 -0.020 -5.120 3.639 137 H SER 13 H SER 13 1.273 -4.249 -0.072 138 HA SER 13 HA SER 13 0.903 -7.085 0.122 139 HB2 SER 13 2HB SER 13 -0.877 -5.757 1.006 140 HB3 SER 13 1HB SER 13 -0.983 -4.808 -0.476 141 HG SER 13 HG SER 13 -1.803 -6.606 -1.534 142 H LEU 14 H LEU 14 1.517 -4.813 -2.353 143 HA LEU 14 HA LEU 14 0.404 -6.330 -4.467 144 HB2 LEU 14 2HB LEU 14 0.784 -4.359 -5.460 145 HB3 LEU 14 1HB LEU 14 1.849 -3.858 -4.164 146 HG LEU 14 HG LEU 14 3.029 -5.712 -6.137 147 HD11 LEU 14 1HD1 LEU 14 1.639 -4.231 -7.544 148 HD12 LEU 14 2HD1 LEU 14 3.370 -4.031 -7.815 149 HD13 LEU 14 3HD1 LEU 14 2.484 -2.842 -6.860 150 HD21 LEU 14 1HD2 LEU 14 4.862 -3.950 -5.905 151 HD22 LEU 14 2HD2 LEU 14 4.490 -4.931 -4.487 152 HD23 LEU 14 3HD2 LEU 14 3.882 -3.278 -4.602 153 H LYS 15 H LYS 15 3.439 -6.290 -2.763 154 HA LYS 15 HA LYS 15 4.704 -8.080 -4.621 155 HB2 LYS 15 2HB LYS 15 6.049 -6.415 -3.473 156 HB3 LYS 15 1HB LYS 15 5.591 -7.086 -1.915 157 HG2 LYS 15 2HG LYS 15 6.928 -8.854 -3.899 158 HG3 LYS 15 1HG LYS 15 7.894 -7.671 -3.014 159 HD2 LYS 15 2HD LYS 15 6.618 -8.662 -0.938 160 HD3 LYS 15 1HD LYS 15 6.400 -10.049 -2.007 161 HE2 LYS 15 2HE LYS 15 8.988 -8.828 -1.075 162 HE3 LYS 15 1HE LYS 15 8.377 -10.449 -0.750 163 HZ1 LYS 15 1HZ LYS 15 9.799 -9.450 -3.047 164 HZ2 LYS 15 2HZ LYS 15 8.439 -10.372 -3.446 165 HZ3 LYS 15 3HZ LYS 15 9.650 -11.035 -2.469 166 H ARG 16 H ARG 16 4.571 -8.512 -1.114 167 HA ARG 16 HA ARG 16 4.205 -11.366 -1.535 168 HB2 ARG 16 2HB ARG 16 5.959 -10.560 0.005 169 HB3 ARG 16 1HB ARG 16 4.715 -9.856 1.027 170 HG2 ARG 16 2HG ARG 16 5.761 -12.208 1.558 171 HG3 ARG 16 1HG ARG 16 4.057 -11.870 1.864 172 HD2 ARG 16 2HD ARG 16 3.352 -13.145 0.075 173 HD3 ARG 16 1HD ARG 16 4.878 -12.977 -0.785 174 HE ARG 16 HE ARG 16 5.756 -14.469 1.106 175 HH11 ARG 16 1HH1 ARG 16 2.526 -14.685 -0.235 176 HH12 ARG 16 2HH1 ARG 16 2.357 -16.366 0.138 177 HH21 ARG 16 1HH2 ARG 16 5.524 -16.675 1.585 178 HH22 ARG 16 2HH2 ARG 16 4.057 -17.496 1.167 179 H LEU 17 H LEU 17 2.097 -8.898 -1.295 180 HA LEU 17 HA LEU 17 -0.172 -8.902 -0.947 181 HB2 LEU 17 2HB LEU 17 -1.310 -10.847 -0.855 182 HB3 LEU 17 1HB LEU 17 0.251 -11.558 -1.203 183 HG LEU 17 HG LEU 17 0.285 -11.476 1.539 184 HD11 LEU 17 1HD1 LEU 17 -1.747 -11.756 2.476 185 HD12 LEU 17 2HD1 LEU 17 -2.397 -12.604 1.073 186 HD13 LEU 17 3HD1 LEU 17 -2.287 -10.843 1.068 187 HD21 LEU 17 1HD2 LEU 17 0.183 -13.802 1.429 188 HD22 LEU 17 2HD2 LEU 17 0.779 -13.331 -0.163 189 HD23 LEU 17 3HD2 LEU 17 -0.913 -13.781 0.046 190 H GLY 18 H GLY 18 2.082 -8.201 0.824 191 HA2 GLY 18 2HA GLY 18 2.297 -7.165 2.875 192 HA3 GLY 18 1HA GLY 18 0.551 -7.288 3.047
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