NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624651 | 6c41 | 30396 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 HT1 VAL 1 6.721 9.134 5.406 2 H2 VAL 1 HT2 VAL 1 5.406 9.871 6.188 3 H3 VAL 1 HT3 VAL 1 5.145 8.701 4.989 4 HA VAL 1 HA VAL 1 5.733 8.383 7.782 5 HB VAL 1 HB VAL 1 4.567 6.233 7.350 6 HG11 VAL 1 HG11 VAL 1 2.889 8.086 5.771 7 HG12 VAL 1 HG12 VAL 1 3.488 8.750 7.291 8 HG13 VAL 1 HG13 VAL 1 2.540 7.263 7.297 9 HG21 VAL 1 HG21 VAL 1 3.863 6.885 4.571 10 HG22 VAL 1 HG22 VAL 1 4.353 5.344 5.264 11 HG23 VAL 1 HG23 VAL 1 5.575 6.510 4.774 12 H PHE 2 HN PHE 2 6.177 5.488 7.372 13 HA PHE 2 HA PHE 2 8.932 5.363 7.677 14 HB2 PHE 2 HB2 PHE 2 8.519 2.863 6.997 15 HB3 PHE 2 HB1 PHE 2 7.836 3.495 8.494 16 HD1 PHE 2 HD1 PHE 2 7.071 2.839 4.904 17 HD2 PHE 2 HD2 PHE 2 5.476 3.574 8.827 18 HE1 PHE 2 HE1 PHE 2 4.794 2.326 4.077 19 HE2 PHE 2 HE2 PHE 2 3.203 3.058 7.993 20 HZ PHE 2 HZ PHE 2 2.856 2.432 5.624 21 H GLN 3 HN GLN 3 7.010 5.145 4.752 22 HA GLN 3 HA GLN 3 8.813 4.024 2.984 23 HB2 GLN 3 HB2 GLN 3 6.966 6.352 2.409 24 HB3 GLN 3 HB1 GLN 3 7.710 5.310 1.205 25 HG2 GLN 3 HG2 GLN 3 6.544 3.357 2.169 26 HG3 GLN 3 HG1 GLN 3 5.789 4.406 3.369 27 HE21 GLN 3 HE21 GLN 3 3.897 3.211 1.979 28 HE22 GLN 3 HE22 GLN 3 3.277 4.158 0.720 29 H PHE 4 HN PHE 4 8.735 7.387 4.154 30 HA PHE 4 HA PHE 4 10.754 8.367 2.425 31 HB2 PHE 4 HB2 PHE 4 10.067 9.246 5.244 32 HB3 PHE 4 HB1 PHE 4 11.038 10.160 4.095 33 HD1 PHE 4 HD1 PHE 4 8.258 10.797 5.498 34 HD2 PHE 4 HD2 PHE 4 9.396 9.440 1.580 35 HE1 PHE 4 HE1 PHE 4 6.199 11.807 4.539 36 HE2 PHE 4 HE2 PHE 4 7.346 10.445 0.634 37 HZ PHE 4 HZ PHE 4 5.747 11.634 2.104 38 H LEU 5 HN LEU 5 10.859 6.930 5.636 39 HA LEU 5 HA LEU 5 13.682 7.068 5.918 40 HB2 LEU 5 HB2 LEU 5 12.333 4.882 7.355 41 HB3 LEU 5 HB1 LEU 5 13.326 6.200 7.980 42 HG LEU 5 HG LEU 5 10.431 6.442 7.099 43 HD11 LEU 5 HD11 LEU 5 10.093 6.891 9.563 44 HD12 LEU 5 HD12 LEU 5 11.733 6.292 9.819 45 HD13 LEU 5 HD13 LEU 5 10.499 5.225 9.149 46 HD21 LEU 5 HD21 LEU 5 11.909 8.513 8.703 47 HD22 LEU 5 HD22 LEU 5 10.529 8.713 7.635 48 HD23 LEU 5 HD23 LEU 5 12.134 8.476 6.956 49 H GLY 6 HN GLY 6 11.425 4.728 4.645 50 HA2 GLY 6 HA2 GLY 6 13.027 2.470 4.449 51 HA3 GLY 6 HA1 GLY 6 11.703 2.852 3.357 52 H LYS 7 HN LYS 7 12.709 5.152 2.083 53 HA LYS 7 HA LYS 7 14.489 3.914 0.242 54 HB2 LYS 7 HB2 LYS 7 14.646 6.280 -0.748 55 HB3 LYS 7 HB1 LYS 7 13.087 5.477 -0.780 56 HG2 LYS 7 HG2 LYS 7 12.513 7.590 0.004 57 HG3 LYS 7 HG1 LYS 7 12.702 6.693 1.506 58 HD2 LYS 7 HD2 LYS 7 13.864 8.817 1.700 59 HD3 LYS 7 HD1 LYS 7 15.056 7.528 1.651 60 HE2 LYS 7 HE2 LYS 7 14.420 8.419 -1.036 61 HE3 LYS 7 HE1 LYS 7 14.940 9.774 -0.040 62 HZ1 LYS 7 HZ1 LYS 7 16.981 8.814 0.370 63 HZ2 LYS 7 HZ2 LYS 7 16.702 8.373 -1.246 64 HZ3 LYS 7 HZ3 LYS 7 16.457 7.246 -0.001 65 H ILE 8 HN ILE 8 14.918 5.880 3.056 66 HA ILE 8 HA ILE 8 17.519 6.834 2.506 67 HB ILE 8 HB ILE 8 16.280 6.201 5.196 68 HG12 ILE 8 HG12 ILE 8 15.066 7.834 3.615 69 HG13 ILE 8 HG11 ILE 8 15.475 8.445 5.216 70 HG21 ILE 8 HG21 ILE 8 18.739 7.719 4.323 71 HG22 ILE 8 HG22 ILE 8 18.590 6.504 5.593 72 HG23 ILE 8 HG23 ILE 8 17.920 8.116 5.833 73 HD11 ILE 8 HD11 ILE 8 16.032 10.000 3.260 74 HD12 ILE 8 HD12 ILE 8 17.283 8.837 2.816 75 HD13 ILE 8 HD13 ILE 8 17.361 9.661 4.370 76 H ILE 9 HN ILE 9 16.479 4.013 4.446 77 HA ILE 9 HA ILE 9 19.133 3.016 4.763 78 HB ILE 9 HB ILE 9 17.794 0.856 5.351 79 HG12 ILE 9 HG12 ILE 9 15.473 2.555 5.954 80 HG13 ILE 9 HG11 ILE 9 15.719 2.322 4.227 81 HG21 ILE 9 HG21 ILE 9 18.825 2.403 6.991 82 HG22 ILE 9 HG22 ILE 9 17.279 1.780 7.562 83 HG23 ILE 9 HG23 ILE 9 17.385 3.418 6.921 84 HD11 ILE 9 HD11 ILE 9 15.336 0.201 6.341 85 HD12 ILE 9 HD12 ILE 9 15.968 -0.174 4.737 86 HD13 ILE 9 HD13 ILE 9 14.344 0.501 4.915 87 H HIS 10 HN HIS 10 16.527 2.392 2.526 88 HA HIS 10 HA HIS 10 17.486 0.097 1.261 89 HB2 HIS 10 HB2 HIS 10 15.229 0.932 0.891 90 HB3 HIS 10 HB1 HIS 10 15.867 2.375 0.106 91 HD2 HIS 10 HD2 HIS 10 17.476 -1.074 -0.842 92 HE1 HIS 10 HE1 HIS 10 15.135 0.212 -4.111 93 HE2 HIS 10 HE2 HIS 10 16.825 -1.515 -3.331 94 H HIS 11 HN HIS 11 18.412 3.484 0.778 95 HA HIS 11 HA HIS 11 19.820 3.029 -1.667 96 HB2 HIS 11 HB2 HIS 11 19.615 5.224 0.333 97 HB3 HIS 11 HB1 HIS 11 21.075 5.192 -0.653 98 HD2 HIS 11 HD2 HIS 11 17.257 4.629 -1.708 99 HE1 HIS 11 HE1 HIS 11 19.065 7.365 -4.364 100 HE2 HIS 11 HE2 HIS 11 16.916 6.132 -3.813 101 H VAL 12 HN VAL 12 20.708 3.190 1.710 102 HA VAL 12 HA VAL 12 23.459 2.725 1.375 103 HB VAL 12 HB VAL 12 22.285 1.822 3.888 104 HG11 VAL 12 HG11 VAL 12 23.853 3.437 4.788 105 HG12 VAL 12 HG12 VAL 12 24.027 4.200 3.208 106 HG13 VAL 12 HG13 VAL 12 24.647 2.571 3.472 107 HG21 VAL 12 HG21 VAL 12 21.552 4.550 2.782 108 HG22 VAL 12 HG22 VAL 12 21.510 4.169 4.501 109 HG23 VAL 12 HG23 VAL 12 20.459 3.304 3.385 110 H GLY 13 HN GLY 13 20.705 0.681 2.131 111 HA2 GLY 13 HA2 GLY 13 22.039 -1.771 2.489 112 HA3 GLY 13 HA1 GLY 13 20.361 -1.586 2.000 113 H ASN 14 HN ASN 14 20.799 -0.160 -0.392 114 HA ASN 14 HA ASN 14 21.042 -2.220 -2.235 115 HB2 ASN 14 HB2 ASN 14 20.286 -0.589 -3.566 116 HB3 ASN 14 HB1 ASN 14 20.618 0.598 -2.313 117 HD21 ASN 14 HD21 ASN 14 22.704 1.731 -2.388 118 HD22 ASN 14 HD22 ASN 14 23.634 1.737 -3.812 119 H PHE 15 HN PHE 15 23.576 -0.191 -0.826 120 HA PHE 15 HA PHE 15 25.555 -1.004 -2.738 121 HB2 PHE 15 HB2 PHE 15 25.684 0.392 -0.067 122 HB3 PHE 15 HB1 PHE 15 27.136 -0.048 -0.963 123 HD1 PHE 15 HD1 PHE 15 26.800 0.516 -3.671 124 HD2 PHE 15 HD2 PHE 15 25.020 2.590 -0.361 125 HE1 PHE 15 HE1 PHE 15 26.507 2.526 -5.096 126 HE2 PHE 15 HE2 PHE 15 24.729 4.600 -1.780 127 HZ PHE 15 HZ PHE 15 25.465 4.567 -4.149 128 H VAL 16 HN VAL 16 24.717 -1.828 0.556 129 HA VAL 16 HA VAL 16 26.687 -3.754 1.032 130 HB VAL 16 HB VAL 16 24.044 -4.197 2.243 131 HG11 VAL 16 HG11 VAL 16 26.800 -3.539 3.317 132 HG12 VAL 16 HG12 VAL 16 26.109 -5.153 3.153 133 HG13 VAL 16 HG13 VAL 16 25.415 -4.014 4.304 134 HG21 VAL 16 HG21 VAL 16 23.789 -1.834 1.905 135 HG22 VAL 16 HG22 VAL 16 25.442 -1.517 2.428 136 HG23 VAL 16 HG23 VAL 16 24.235 -2.073 3.589 137 H HIS 17 HN HIS 17 23.411 -3.953 -0.244 138 HA HIS 17 HA HIS 17 23.431 -6.770 -0.663 139 HB2 HIS 17 HB2 HIS 17 21.761 -4.578 -1.913 140 HB3 HIS 17 HB1 HIS 17 21.407 -6.302 -1.980 141 HD2 HIS 17 HD2 HIS 17 22.549 -6.015 1.494 142 HE1 HIS 17 HE1 HIS 17 18.555 -4.654 1.725 143 HE2 HIS 17 HE2 HIS 17 20.562 -5.430 3.088 144 H GLY 18 HN GLY 18 24.010 -3.900 -2.661 145 HA2 GLY 18 HA2 GLY 18 24.381 -5.174 -5.134 146 HA3 GLY 18 HA1 GLY 18 25.096 -3.633 -4.672 147 H PHE 19 HN PHE 19 26.618 -4.587 -2.462 148 HA PHE 19 HA PHE 19 29.017 -5.301 -3.700 149 HB2 PHE 19 HB2 PHE 19 28.022 -5.121 -0.945 150 HB3 PHE 19 HB1 PHE 19 29.291 -6.324 -1.153 151 HD1 PHE 19 HD1 PHE 19 31.370 -5.529 -2.616 152 HD2 PHE 19 HD2 PHE 19 28.625 -2.892 -0.614 153 HE1 PHE 19 HE1 PHE 19 33.053 -3.717 -2.692 154 HE2 PHE 19 HE2 PHE 19 30.318 -1.076 -0.695 155 HZ PHE 19 HZ PHE 19 32.532 -1.490 -1.732 156 H SER 20 HN SER 20 26.565 -7.282 -2.139 157 HA SER 20 HA SER 20 27.805 -9.787 -2.342 158 HB2 SER 20 HB2 SER 20 24.900 -9.772 -2.828 159 HB3 SER 20 HB1 SER 20 25.823 -10.598 -1.574 160 HG SER 20 HG SER 20 24.663 -8.066 -1.614 161 H HIS 21 HN HIS 21 25.707 -8.036 -4.565 162 HA HIS 21 HA HIS 21 25.540 -9.940 -6.617 163 HB2 HIS 21 HB2 HIS 21 24.319 -7.655 -6.362 164 HB3 HIS 21 HB1 HIS 21 25.733 -6.989 -7.176 165 HD2 HIS 21 HD2 HIS 21 24.292 -10.487 -8.280 166 HE1 HIS 21 HE1 HIS 21 23.506 -7.685 -11.350 167 HE2 HIS 21 HE2 HIS 21 23.404 -10.153 -10.722 168 H VAL 22 HN VAL 22 27.856 -7.321 -6.047 169 HA VAL 22 HA VAL 22 29.486 -7.852 -8.319 170 HB VAL 22 HB VAL 22 30.264 -6.538 -5.698 171 HG11 VAL 22 HG11 VAL 22 31.792 -5.290 -7.437 172 HG12 VAL 22 HG12 VAL 22 31.502 -6.715 -8.435 173 HG13 VAL 22 HG13 VAL 22 32.268 -6.891 -6.859 174 HG21 VAL 22 HG21 VAL 22 28.841 -4.882 -6.287 175 HG22 VAL 22 HG22 VAL 22 28.425 -5.718 -7.781 176 HG23 VAL 22 HG23 VAL 22 29.805 -4.626 -7.741 177 H PHE 23 HN PHE 23 29.768 -8.707 -4.881 178 HA PHE 23 HA PHE 23 32.144 -10.152 -4.959 179 HB2 PHE 23 HB2 PHE 23 30.459 -9.542 -2.988 180 HB3 PHE 23 HB1 PHE 23 29.907 -11.193 -3.278 181 HD1 PHE 23 HD1 PHE 23 31.089 -12.993 -2.339 182 HD2 PHE 23 HD2 PHE 23 33.017 -9.176 -2.761 183 HE1 PHE 23 HE1 PHE 23 33.049 -13.844 -1.080 184 HE2 PHE 23 HE2 PHE 23 34.975 -10.021 -1.506 185 HZ PHE 23 HZ PHE 23 34.992 -12.354 -0.660 186 HN1 NH2 24 H1 PHE 23 28.815 -11.416 -5.514 187 HN2 NH2 24 H2 PHE 23 29.340 -12.833 -6.288 Start of MODEL 2 1 H1 VAL 1 HT1 VAL 1 6.259 8.981 5.569 2 H2 VAL 1 HT2 VAL 1 5.070 8.545 6.695 3 H3 VAL 1 HT3 VAL 1 5.840 7.349 5.774 4 HA VAL 1 HA VAL 1 7.503 9.078 7.442 5 HB VAL 1 HB VAL 1 5.829 6.763 8.483 6 HG11 VAL 1 HG11 VAL 1 8.162 8.302 9.629 7 HG12 VAL 1 HG12 VAL 1 7.918 6.554 9.568 8 HG13 VAL 1 HG13 VAL 1 6.967 7.538 10.683 9 HG21 VAL 1 HG21 VAL 1 5.839 9.742 9.023 10 HG22 VAL 1 HG22 VAL 1 5.076 8.582 10.107 11 HG23 VAL 1 HG23 VAL 1 4.495 8.758 8.454 12 H PHE 2 HN PHE 2 6.873 5.585 7.466 13 HA PHE 2 HA PHE 2 9.552 4.854 7.238 14 HB2 PHE 2 HB2 PHE 2 8.273 2.692 6.158 15 HB3 PHE 2 HB1 PHE 2 8.476 2.984 7.884 16 HD1 PHE 2 HD1 PHE 2 6.610 3.556 9.273 17 HD2 PHE 2 HD2 PHE 2 6.178 3.414 5.008 18 HE1 PHE 2 HE1 PHE 2 4.146 3.717 9.517 19 HE2 PHE 2 HE2 PHE 2 3.722 3.571 5.245 20 HZ PHE 2 HZ PHE 2 2.700 3.723 7.496 21 H GLN 3 HN GLN 3 7.193 5.530 4.747 22 HA GLN 3 HA GLN 3 8.499 4.442 2.523 23 HB2 GLN 3 HB2 GLN 3 7.017 7.073 2.459 24 HB3 GLN 3 HB1 GLN 3 7.181 5.884 1.168 25 HG2 GLN 3 HG2 GLN 3 5.096 5.278 1.906 26 HG3 GLN 3 HG1 GLN 3 6.051 4.311 3.030 27 HE21 GLN 3 HE21 GLN 3 3.456 6.323 3.005 28 HE22 GLN 3 HE22 GLN 3 3.596 7.006 4.553 29 H PHE 4 HN PHE 4 9.238 7.276 4.412 30 HA PHE 4 HA PHE 4 11.063 8.370 2.432 31 HB2 PHE 4 HB2 PHE 4 9.728 9.730 4.123 32 HB3 PHE 4 HB1 PHE 4 10.827 9.116 5.352 33 HD1 PHE 4 HD1 PHE 4 13.349 9.453 4.972 34 HD2 PHE 4 HD2 PHE 4 10.337 11.629 2.815 35 HE1 PHE 4 HE1 PHE 4 15.013 11.198 4.407 36 HE2 PHE 4 HE2 PHE 4 12.005 13.375 2.252 37 HZ PHE 4 HZ PHE 4 14.350 13.160 3.051 38 H LEU 5 HN LEU 5 11.454 7.221 5.777 39 HA LEU 5 HA LEU 5 14.244 6.946 5.675 40 HB2 LEU 5 HB2 LEU 5 13.275 4.966 7.441 41 HB3 LEU 5 HB1 LEU 5 13.883 6.564 7.843 42 HG LEU 5 HG LEU 5 11.023 6.172 6.961 43 HD11 LEU 5 HD11 LEU 5 12.127 5.994 9.777 44 HD12 LEU 5 HD12 LEU 5 11.387 4.675 8.866 45 HD13 LEU 5 HD13 LEU 5 10.414 6.063 9.358 46 HD21 LEU 5 HD21 LEU 5 12.074 8.208 8.911 47 HD22 LEU 5 HD22 LEU 5 10.687 8.325 7.831 48 HD23 LEU 5 HD23 LEU 5 12.322 8.453 7.184 49 H GLY 6 HN GLY 6 11.657 4.662 4.998 50 HA2 GLY 6 HA2 GLY 6 13.130 2.328 4.648 51 HA3 GLY 6 HA1 GLY 6 11.621 2.699 3.827 52 H LYS 7 HN LYS 7 12.427 4.924 2.304 53 HA LYS 7 HA LYS 7 13.751 3.574 0.176 54 HB2 LYS 7 HB2 LYS 7 12.455 5.079 -0.870 55 HB3 LYS 7 HB1 LYS 7 12.319 6.080 0.567 56 HG2 LYS 7 HG2 LYS 7 14.895 6.086 -0.971 57 HG3 LYS 7 HG1 LYS 7 13.529 7.011 -1.579 58 HD2 LYS 7 HD2 LYS 7 13.411 7.817 0.963 59 HD3 LYS 7 HD1 LYS 7 15.126 7.410 0.906 60 HE2 LYS 7 HE2 LYS 7 14.772 9.769 0.303 61 HE3 LYS 7 HE1 LYS 7 15.412 8.868 -1.067 62 HZ1 LYS 7 HZ1 LYS 7 13.625 9.409 -2.239 63 HZ2 LYS 7 HZ2 LYS 7 13.050 10.339 -0.941 64 HZ3 LYS 7 HZ3 LYS 7 12.601 8.710 -1.084 65 H ILE 8 HN ILE 8 14.704 5.705 2.747 66 HA ILE 8 HA ILE 8 17.238 6.464 1.676 67 HB ILE 8 HB ILE 8 16.309 6.338 4.563 68 HG12 ILE 8 HG12 ILE 8 15.062 7.838 2.854 69 HG13 ILE 8 HG11 ILE 8 15.630 8.586 4.343 70 HG21 ILE 8 HG21 ILE 8 18.148 8.147 4.744 71 HG22 ILE 8 HG22 ILE 8 18.748 7.495 3.219 72 HG23 ILE 8 HG23 ILE 8 18.658 6.461 4.647 73 HD11 ILE 8 HD11 ILE 8 17.110 8.631 1.699 74 HD12 ILE 8 HD12 ILE 8 17.614 9.428 3.189 75 HD13 ILE 8 HD13 ILE 8 16.158 9.962 2.354 76 H ILE 9 HN ILE 9 16.329 4.068 4.173 77 HA ILE 9 HA ILE 9 18.893 2.956 4.492 78 HB ILE 9 HB ILE 9 17.551 0.867 5.209 79 HG12 ILE 9 HG12 ILE 9 15.170 2.332 5.765 80 HG13 ILE 9 HG11 ILE 9 15.486 2.451 4.039 81 HG21 ILE 9 HG21 ILE 9 16.941 3.480 6.604 82 HG22 ILE 9 HG22 ILE 9 18.504 2.674 6.696 83 HG23 ILE 9 HG23 ILE 9 17.065 1.885 7.342 84 HD11 ILE 9 HD11 ILE 9 15.842 -0.055 4.016 85 HD12 ILE 9 HD12 ILE 9 14.189 0.450 4.371 86 HD13 ILE 9 HD13 ILE 9 15.251 -0.081 5.679 87 H HIS 10 HN HIS 10 16.354 2.348 2.221 88 HA HIS 10 HA HIS 10 17.200 -0.051 1.086 89 HB2 HIS 10 HB2 HIS 10 15.064 1.399 0.642 90 HB3 HIS 10 HB1 HIS 10 16.043 2.125 -0.628 91 HD2 HIS 10 HD2 HIS 10 17.245 -1.378 -0.655 92 HE1 HIS 10 HE1 HIS 10 13.783 -1.511 -3.064 93 HE2 HIS 10 HE2 HIS 10 15.876 -2.778 -2.379 94 H HIS 11 HN HIS 11 18.344 3.257 0.514 95 HA HIS 11 HA HIS 11 19.882 2.581 -1.816 96 HB2 HIS 11 HB2 HIS 11 19.662 4.936 0.008 97 HB3 HIS 11 HB1 HIS 11 21.129 4.785 -0.954 98 HD2 HIS 11 HD2 HIS 11 17.239 4.533 -1.831 99 HE1 HIS 11 HE1 HIS 11 19.289 6.489 -4.972 100 HE2 HIS 11 HE2 HIS 11 17.003 5.694 -4.165 101 H VAL 12 HN VAL 12 20.443 2.875 1.605 102 HA VAL 12 HA VAL 12 23.211 2.356 1.631 103 HB VAL 12 HB VAL 12 21.558 1.503 3.933 104 HG11 VAL 12 HG11 VAL 12 24.070 1.861 3.906 105 HG12 VAL 12 HG12 VAL 12 23.211 2.777 5.146 106 HG13 VAL 12 HG13 VAL 12 23.744 3.578 3.671 107 HG21 VAL 12 HG21 VAL 12 21.089 3.942 4.477 108 HG22 VAL 12 HG22 VAL 12 20.135 3.288 3.151 109 HG23 VAL 12 HG23 VAL 12 21.519 4.321 2.809 110 H GLY 13 HN GLY 13 20.364 0.320 2.124 111 HA2 GLY 13 HA2 GLY 13 21.712 -2.125 2.547 112 HA3 GLY 13 HA1 GLY 13 20.064 -1.964 1.946 113 H ASN 14 HN ASN 14 20.575 -0.499 -0.363 114 HA ASN 14 HA ASN 14 21.100 -2.499 -2.240 115 HB2 ASN 14 HB2 ASN 14 20.188 -0.922 -3.539 116 HB3 ASN 14 HB1 ASN 14 20.410 0.283 -2.276 117 HD21 ASN 14 HD21 ASN 14 22.609 1.364 -2.212 118 HD22 ASN 14 HD22 ASN 14 23.448 1.553 -3.681 119 H PHE 15 HN PHE 15 23.273 -0.310 -0.575 120 HA PHE 15 HA PHE 15 25.474 -0.633 -2.367 121 HB2 PHE 15 HB2 PHE 15 24.995 0.628 0.255 122 HB3 PHE 15 HB1 PHE 15 26.598 -0.078 0.093 123 HD1 PHE 15 HD1 PHE 15 24.312 2.524 -1.111 124 HD2 PHE 15 HD2 PHE 15 28.153 0.687 -1.654 125 HE1 PHE 15 HE1 PHE 15 25.037 4.457 -2.481 126 HE2 PHE 15 HE2 PHE 15 28.885 2.620 -3.029 127 HZ PHE 15 HZ PHE 15 27.326 4.507 -3.439 128 H VAL 16 HN VAL 16 24.422 -2.076 0.636 129 HA VAL 16 HA VAL 16 26.546 -3.915 0.925 130 HB VAL 16 HB VAL 16 23.924 -4.652 2.021 131 HG11 VAL 16 HG11 VAL 16 25.184 -4.995 3.983 132 HG12 VAL 16 HG12 VAL 16 26.396 -3.803 3.516 133 HG13 VAL 16 HG13 VAL 16 26.334 -5.364 2.700 134 HG21 VAL 16 HG21 VAL 16 24.015 -2.696 3.650 135 HG22 VAL 16 HG22 VAL 16 23.485 -2.301 2.022 136 HG23 VAL 16 HG23 VAL 16 25.128 -1.921 2.525 137 H HIS 17 HN HIS 17 23.232 -4.205 -0.270 138 HA HIS 17 HA HIS 17 23.471 -6.912 -1.067 139 HB2 HIS 17 HB2 HIS 17 21.513 -4.762 -1.387 140 HB3 HIS 17 HB1 HIS 17 21.616 -5.798 -2.808 141 HD2 HIS 17 HD2 HIS 17 22.395 -8.306 -0.256 142 HE1 HIS 17 HE1 HIS 17 18.189 -8.041 -0.030 143 HE2 HIS 17 HE2 HIS 17 20.214 -9.425 0.632 144 H GLY 18 HN GLY 18 23.970 -3.833 -2.764 145 HA2 GLY 18 HA2 GLY 18 24.535 -4.858 -5.315 146 HA3 GLY 18 HA1 GLY 18 25.169 -3.342 -4.667 147 H PHE 19 HN PHE 19 26.688 -4.090 -2.577 148 HA PHE 19 HA PHE 19 29.093 -4.970 -3.713 149 HB2 PHE 19 HB2 PHE 19 28.098 -4.439 -0.988 150 HB3 PHE 19 HB1 PHE 19 29.396 -5.629 -1.067 151 HD1 PHE 19 HD1 PHE 19 31.343 -4.951 -2.815 152 HD2 PHE 19 HD2 PHE 19 28.739 -2.201 -0.789 153 HE1 PHE 19 HE1 PHE 19 33.000 -3.139 -3.148 154 HE2 PHE 19 HE2 PHE 19 30.398 -0.387 -1.122 155 HZ PHE 19 HZ PHE 19 32.529 -0.858 -2.298 156 H SER 20 HN SER 20 26.693 -6.684 -1.791 157 HA SER 20 HA SER 20 27.912 -9.219 -1.815 158 HB2 SER 20 HB2 SER 20 24.928 -8.835 -1.900 159 HB3 SER 20 HB1 SER 20 25.852 -10.081 -1.065 160 HG SER 20 HG SER 20 25.853 -7.282 -0.461 161 H HIS 21 HN HIS 21 25.811 -7.576 -4.076 162 HA HIS 21 HA HIS 21 25.360 -9.780 -5.807 163 HB2 HIS 21 HB2 HIS 21 24.409 -7.197 -5.647 164 HB3 HIS 21 HB1 HIS 21 25.416 -7.135 -7.089 165 HD2 HIS 21 HD2 HIS 21 22.037 -7.214 -7.253 166 HE1 HIS 21 HE1 HIS 21 22.697 -11.044 -8.906 167 HE2 HIS 21 HE2 HIS 21 20.997 -9.171 -8.629 168 H VAL 22 HN VAL 22 27.654 -7.067 -5.918 169 HA VAL 22 HA VAL 22 28.976 -7.956 -8.276 170 HB VAL 22 HB VAL 22 29.945 -6.120 -6.070 171 HG11 VAL 22 HG11 VAL 22 31.458 -5.268 -7.882 172 HG12 VAL 22 HG12 VAL 22 30.942 -6.625 -8.888 173 HG13 VAL 22 HG13 VAL 22 31.824 -6.923 -7.384 174 HG21 VAL 22 HG21 VAL 22 29.062 -4.332 -7.359 175 HG22 VAL 22 HG22 VAL 22 27.792 -5.552 -7.410 176 HG23 VAL 22 HG23 VAL 22 28.870 -5.343 -8.788 177 H PHE 23 HN PHE 23 29.854 -8.172 -4.826 178 HA PHE 23 HA PHE 23 32.074 -9.962 -5.477 179 HB2 PHE 23 HB2 PHE 23 31.088 -8.806 -2.860 180 HB3 PHE 23 HB1 PHE 23 32.465 -9.899 -2.996 181 HD1 PHE 23 HD1 PHE 23 34.615 -9.040 -3.490 182 HD2 PHE 23 HD2 PHE 23 31.130 -6.661 -4.319 183 HE1 PHE 23 HE1 PHE 23 36.068 -7.120 -4.073 184 HE2 PHE 23 HE2 PHE 23 32.588 -4.742 -4.903 185 HZ PHE 23 HZ PHE 23 35.050 -4.962 -4.774 186 HN1 NH2 24 H1 PHE 23 29.047 -10.703 -5.644 187 HN2 NH2 24 H2 PHE 23 28.965 -12.160 -4.783 Start of MODEL 3 1 H1 VAL 1 HT1 VAL 1 5.639 9.881 5.891 2 H2 VAL 1 HT2 VAL 1 5.325 8.416 5.098 3 H3 VAL 1 HT3 VAL 1 6.874 9.104 5.049 4 HA VAL 1 HA VAL 1 6.821 8.909 7.580 5 HB VAL 1 HB VAL 1 5.475 6.700 8.085 6 HG11 VAL 1 HG11 VAL 1 4.119 9.391 7.770 7 HG12 VAL 1 HG12 VAL 1 5.068 8.866 9.159 8 HG13 VAL 1 HG13 VAL 1 3.543 8.068 8.783 9 HG21 VAL 1 HG21 VAL 1 3.745 7.895 5.902 10 HG22 VAL 1 HG22 VAL 1 3.463 6.409 6.805 11 HG23 VAL 1 HG23 VAL 1 4.781 6.490 5.637 12 H PHE 2 HN PHE 2 6.232 5.663 6.955 13 HA PHE 2 HA PHE 2 8.907 4.906 7.038 14 HB2 PHE 2 HB2 PHE 2 7.546 2.873 5.612 15 HB3 PHE 2 HB1 PHE 2 7.926 2.917 7.331 16 HD1 PHE 2 HD1 PHE 2 5.340 3.470 4.790 17 HD2 PHE 2 HD2 PHE 2 6.281 3.747 8.971 18 HE1 PHE 2 HE1 PHE 2 2.933 3.717 5.317 19 HE2 PHE 2 HE2 PHE 2 3.872 3.993 9.497 20 HZ PHE 2 HZ PHE 2 2.193 3.971 7.670 21 H GLN 3 HN GLN 3 6.827 5.409 4.247 22 HA GLN 3 HA GLN 3 8.451 4.453 2.219 23 HB2 GLN 3 HB2 GLN 3 6.634 6.873 2.228 24 HB3 GLN 3 HB1 GLN 3 7.377 6.211 0.774 25 HG2 GLN 3 HG2 GLN 3 5.676 4.553 2.647 26 HG3 GLN 3 HG1 GLN 3 5.024 5.383 1.238 27 HE21 GLN 3 HE21 GLN 3 5.600 4.567 -0.881 28 HE22 GLN 3 HE22 GLN 3 6.377 3.072 -1.081 29 H PHE 4 HN PHE 4 8.832 7.313 4.163 30 HA PHE 4 HA PHE 4 10.753 8.564 2.417 31 HB2 PHE 4 HB2 PHE 4 9.231 9.428 4.522 32 HB3 PHE 4 HB1 PHE 4 10.815 9.270 5.277 33 HD1 PHE 4 HD1 PHE 4 8.733 11.428 3.426 34 HD2 PHE 4 HD2 PHE 4 12.833 10.206 3.795 35 HE1 PHE 4 HE1 PHE 4 9.448 13.533 2.337 36 HE2 PHE 4 HE2 PHE 4 13.547 12.316 2.706 37 HZ PHE 4 HZ PHE 4 11.855 13.980 1.978 38 H LEU 5 HN LEU 5 11.043 7.177 5.671 39 HA LEU 5 HA LEU 5 13.873 7.023 5.616 40 HB2 LEU 5 HB2 LEU 5 13.069 5.179 7.516 41 HB3 LEU 5 HB1 LEU 5 13.384 6.888 7.797 42 HG LEU 5 HG LEU 5 10.677 6.049 6.798 43 HD11 LEU 5 HD11 LEU 5 11.501 5.997 9.708 44 HD12 LEU 5 HD12 LEU 5 11.278 4.557 8.719 45 HD13 LEU 5 HD13 LEU 5 9.914 5.625 9.046 46 HD21 LEU 5 HD21 LEU 5 11.435 8.138 8.852 47 HD22 LEU 5 HD22 LEU 5 9.974 8.051 7.870 48 HD23 LEU 5 HD23 LEU 5 11.515 8.470 7.123 49 H GLY 6 HN GLY 6 11.340 4.718 4.899 50 HA2 GLY 6 HA2 GLY 6 12.716 2.333 4.981 51 HA3 GLY 6 HA1 GLY 6 11.377 2.650 3.890 52 H LYS 7 HN LYS 7 12.520 4.511 2.134 53 HA LYS 7 HA LYS 7 14.142 2.738 0.594 54 HB2 LYS 7 HB2 LYS 7 14.453 5.021 -0.792 55 HB3 LYS 7 HB1 LYS 7 13.068 3.958 -0.971 56 HG2 LYS 7 HG2 LYS 7 11.919 5.901 -0.621 57 HG3 LYS 7 HG1 LYS 7 12.175 5.499 1.066 58 HD2 LYS 7 HD2 LYS 7 13.979 6.993 1.286 59 HD3 LYS 7 HD1 LYS 7 14.225 7.092 -0.455 60 HE2 LYS 7 HE2 LYS 7 12.631 8.783 1.215 61 HE3 LYS 7 HE1 LYS 7 12.906 8.914 -0.519 62 HZ1 LYS 7 HZ1 LYS 7 10.543 8.678 0.128 63 HZ2 LYS 7 HZ2 LYS 7 10.878 7.113 0.705 64 HZ3 LYS 7 HZ3 LYS 7 11.070 7.479 -0.947 65 H ILE 8 HN ILE 8 14.782 5.401 2.724 66 HA ILE 8 HA ILE 8 17.416 5.976 1.902 67 HB ILE 8 HB ILE 8 16.270 6.153 4.697 68 HG12 ILE 8 HG12 ILE 8 14.978 7.368 2.884 69 HG13 ILE 8 HG11 ILE 8 15.640 8.417 4.130 70 HG21 ILE 8 HG21 ILE 8 18.630 7.502 3.351 71 HG22 ILE 8 HG22 ILE 8 18.703 6.355 4.684 72 HG23 ILE 8 HG23 ILE 8 17.998 7.951 4.932 73 HD11 ILE 8 HD11 ILE 8 17.051 7.864 1.500 74 HD12 ILE 8 HD12 ILE 8 17.479 9.071 2.709 75 HD13 ILE 8 HD13 ILE 8 16.004 9.255 1.767 76 H ILE 9 HN ILE 9 16.298 3.841 4.564 77 HA ILE 9 HA ILE 9 18.842 2.834 5.232 78 HB ILE 9 HB ILE 9 17.302 0.697 5.808 79 HG12 ILE 9 HG12 ILE 9 15.220 2.720 6.320 80 HG13 ILE 9 HG11 ILE 9 15.445 2.356 4.613 81 HG21 ILE 9 HG21 ILE 9 18.288 1.701 7.635 82 HG22 ILE 9 HG22 ILE 9 16.616 2.180 7.904 83 HG23 ILE 9 HG23 ILE 9 17.750 3.316 7.181 84 HD11 ILE 9 HD11 ILE 9 13.838 0.895 6.163 85 HD12 ILE 9 HD12 ILE 9 15.353 0.049 6.488 86 HD13 ILE 9 HD13 ILE 9 14.754 0.185 4.832 87 H HIS 10 HN HIS 10 16.551 1.995 2.773 88 HA HIS 10 HA HIS 10 17.797 -0.421 1.920 89 HB2 HIS 10 HB2 HIS 10 15.416 0.151 1.445 90 HB3 HIS 10 HB1 HIS 10 15.968 1.419 0.352 91 HD2 HIS 10 HD2 HIS 10 18.066 -1.835 0.135 92 HE1 HIS 10 HE1 HIS 10 15.396 -1.842 -3.140 93 HE2 HIS 10 HE2 HIS 10 17.426 -2.989 -2.120 94 H HIS 11 HN HIS 11 18.213 2.995 1.109 95 HA HIS 11 HA HIS 11 19.713 2.579 -1.273 96 HB2 HIS 11 HB2 HIS 11 19.219 4.853 0.588 97 HB3 HIS 11 HB1 HIS 11 20.663 4.945 -0.417 98 HD2 HIS 11 HD2 HIS 11 17.121 3.559 -1.586 99 HE1 HIS 11 HE1 HIS 11 18.252 6.773 -4.090 100 HE2 HIS 11 HE2 HIS 11 16.495 4.972 -3.696 101 H VAL 12 HN VAL 12 20.517 2.985 2.113 102 HA VAL 12 HA VAL 12 23.312 2.927 1.858 103 HB VAL 12 HB VAL 12 22.203 1.700 4.270 104 HG11 VAL 12 HG11 VAL 12 23.287 3.995 5.093 105 HG12 VAL 12 HG12 VAL 12 24.017 3.936 3.490 106 HG13 VAL 12 HG13 VAL 12 24.292 2.621 4.633 107 HG21 VAL 12 HG21 VAL 12 21.141 3.931 4.967 108 HG22 VAL 12 HG22 VAL 12 20.223 2.919 3.857 109 HG23 VAL 12 HG23 VAL 12 21.105 4.318 3.242 110 H GLY 13 HN GLY 13 20.898 0.444 2.482 111 HA2 GLY 13 HA2 GLY 13 22.666 -1.773 2.599 112 HA3 GLY 13 HA1 GLY 13 20.935 -1.857 2.291 113 H ASN 14 HN ASN 14 20.902 -0.180 0.001 114 HA ASN 14 HA ASN 14 21.250 -2.006 -2.064 115 HB2 ASN 14 HB2 ASN 14 19.982 0.279 -2.008 116 HB3 ASN 14 HB1 ASN 14 21.506 0.930 -2.603 117 HD21 ASN 14 HD21 ASN 14 22.350 -1.196 -4.277 118 HD22 ASN 14 HD22 ASN 14 21.252 -1.335 -5.563 119 H PHE 15 HN PHE 15 23.592 0.225 -0.662 120 HA PHE 15 HA PHE 15 25.467 0.013 -2.826 121 HB2 PHE 15 HB2 PHE 15 25.449 1.177 -0.083 122 HB3 PHE 15 HB1 PHE 15 27.022 0.709 -0.726 123 HD1 PHE 15 HD1 PHE 15 28.184 2.374 -1.872 124 HD2 PHE 15 HD2 PHE 15 23.893 2.378 -1.990 125 HE1 PHE 15 HE1 PHE 15 28.224 4.429 -3.260 126 HE2 PHE 15 HE2 PHE 15 23.929 4.431 -3.379 127 HZ PHE 15 HZ PHE 15 26.099 5.459 -4.011 128 H VAL 16 HN VAL 16 24.905 -1.452 0.278 129 HA VAL 16 HA VAL 16 27.104 -3.230 0.288 130 HB VAL 16 HB VAL 16 24.606 -3.937 1.725 131 HG11 VAL 16 HG11 VAL 16 26.235 -4.181 3.574 132 HG12 VAL 16 HG12 VAL 16 27.497 -3.524 2.534 133 HG13 VAL 16 HG13 VAL 16 26.747 -5.073 2.139 134 HG21 VAL 16 HG21 VAL 16 24.370 -1.565 1.888 135 HG22 VAL 16 HG22 VAL 16 26.101 -1.328 2.089 136 HG23 VAL 16 HG23 VAL 16 25.150 -2.049 3.389 137 H HIS 17 HN HIS 17 23.741 -3.424 -0.663 138 HA HIS 17 HA HIS 17 23.596 -6.145 -1.350 139 HB2 HIS 17 HB2 HIS 17 21.594 -4.725 -1.241 140 HB3 HIS 17 HB1 HIS 17 22.182 -3.775 -2.604 141 HD2 HIS 17 HD2 HIS 17 21.354 -4.734 -5.031 142 HE1 HIS 17 HE1 HIS 17 20.284 -8.632 -3.814 143 HE2 HIS 17 HE2 HIS 17 20.305 -7.005 -5.772 144 H GLY 18 HN GLY 18 24.589 -3.291 -3.200 145 HA2 GLY 18 HA2 GLY 18 25.081 -4.587 -5.656 146 HA3 GLY 18 HA1 GLY 18 25.845 -3.094 -5.117 147 H PHE 19 HN PHE 19 27.209 -3.779 -2.925 148 HA PHE 19 HA PHE 19 29.558 -4.972 -3.860 149 HB2 PHE 19 HB2 PHE 19 29.509 -3.551 -1.864 150 HB3 PHE 19 HB1 PHE 19 28.509 -4.733 -1.027 151 HD1 PHE 19 HD1 PHE 19 29.700 -5.861 0.614 152 HD2 PHE 19 HD2 PHE 19 31.632 -4.958 -3.116 153 HE1 PHE 19 HE1 PHE 19 31.725 -7.062 1.377 154 HE2 PHE 19 HE2 PHE 19 33.659 -6.163 -2.352 155 HZ PHE 19 HZ PHE 19 33.708 -7.216 -0.111 156 H SER 20 HN SER 20 26.810 -6.284 -2.122 157 HA SER 20 HA SER 20 27.814 -8.934 -1.873 158 HB2 SER 20 HB2 SER 20 24.879 -8.273 -1.984 159 HB3 SER 20 HB1 SER 20 25.694 -9.514 -1.036 160 HG SER 20 HG SER 20 26.069 -6.704 -0.682 161 H HIS 21 HN HIS 21 25.858 -7.211 -4.214 162 HA HIS 21 HA HIS 21 25.046 -9.337 -5.843 163 HB2 HIS 21 HB2 HIS 21 24.645 -6.662 -5.891 164 HB3 HIS 21 HB1 HIS 21 25.818 -6.807 -7.196 165 HD2 HIS 21 HD2 HIS 21 22.519 -6.250 -7.776 166 HE1 HIS 21 HE1 HIS 21 22.670 -10.165 -9.375 167 HE2 HIS 21 HE2 HIS 21 21.323 -8.006 -9.315 168 H VAL 22 HN VAL 22 28.056 -7.474 -5.784 169 HA VAL 22 HA VAL 22 29.198 -8.477 -8.138 170 HB VAL 22 HB VAL 22 30.696 -7.844 -5.581 171 HG11 VAL 22 HG11 VAL 22 32.480 -7.197 -7.146 172 HG12 VAL 22 HG12 VAL 22 31.444 -7.594 -8.516 173 HG13 VAL 22 HG13 VAL 22 32.002 -8.869 -7.431 174 HG21 VAL 22 HG21 VAL 22 30.824 -5.548 -6.948 175 HG22 VAL 22 HG22 VAL 22 29.512 -5.872 -5.818 176 HG23 VAL 22 HG23 VAL 22 29.263 -6.102 -7.548 177 H PHE 23 HN PHE 23 29.127 -9.745 -4.841 178 HA PHE 23 HA PHE 23 30.773 -12.020 -5.322 179 HB2 PHE 23 HB2 PHE 23 28.802 -11.229 -3.201 180 HB3 PHE 23 HB1 PHE 23 29.346 -12.903 -3.277 181 HD1 PHE 23 HD1 PHE 23 30.311 -9.437 -2.594 182 HD2 PHE 23 HD2 PHE 23 31.732 -13.475 -2.952 183 HE1 PHE 23 HE1 PHE 23 32.416 -8.795 -1.460 184 HE2 PHE 23 HE2 PHE 23 33.843 -12.830 -1.817 185 HZ PHE 23 HZ PHE 23 34.185 -10.491 -1.071 186 HN1 NH2 24 H1 PHE 23 27.450 -11.295 -6.116 187 HN2 NH2 24 H2 PHE 23 27.042 -12.849 -6.665 Start of MODEL 4 1 H1 VAL 1 HT1 VAL 1 7.317 10.499 3.173 2 H2 VAL 1 HT2 VAL 1 5.635 10.387 2.991 3 H3 VAL 1 HT3 VAL 1 6.602 8.993 2.877 4 HA VAL 1 HA VAL 1 6.675 10.583 5.327 5 HB VAL 1 HB VAL 1 4.266 10.282 4.793 6 HG11 VAL 1 HG11 VAL 1 4.103 8.364 3.460 7 HG12 VAL 1 HG12 VAL 1 3.433 7.846 5.005 8 HG13 VAL 1 HG13 VAL 1 5.076 7.392 4.565 9 HG21 VAL 1 HG21 VAL 1 5.641 9.369 7.161 10 HG22 VAL 1 HG22 VAL 1 4.164 8.431 6.937 11 HG23 VAL 1 HG23 VAL 1 4.088 10.188 7.029 12 H PHE 2 HN PHE 2 5.786 7.665 6.270 13 HA PHE 2 HA PHE 2 8.277 6.800 7.118 14 HB2 PHE 2 HB2 PHE 2 7.227 4.755 7.795 15 HB3 PHE 2 HB1 PHE 2 6.030 6.033 7.996 16 HD1 PHE 2 HD1 PHE 2 4.040 6.124 6.594 17 HD2 PHE 2 HD2 PHE 2 7.109 3.195 5.894 18 HE1 PHE 2 HE1 PHE 2 2.526 4.896 5.050 19 HE2 PHE 2 HE2 PHE 2 5.600 1.976 4.358 20 HZ PHE 2 HZ PHE 2 3.314 2.822 3.933 21 H GLN 3 HN GLN 3 6.562 5.893 4.178 22 HA GLN 3 HA GLN 3 8.125 3.737 3.393 23 HB2 GLN 3 HB2 GLN 3 7.512 5.406 1.094 24 HB3 GLN 3 HB1 GLN 3 6.925 3.798 1.499 25 HG2 GLN 3 HG2 GLN 3 4.939 4.970 1.579 26 HG3 GLN 3 HG1 GLN 3 5.448 5.181 3.254 27 HE21 GLN 3 HE21 GLN 3 4.438 6.887 0.516 28 HE22 GLN 3 HE22 GLN 3 5.023 8.421 0.949 29 H PHE 4 HN PHE 4 8.965 7.111 3.485 30 HA PHE 4 HA PHE 4 11.187 6.817 1.658 31 HB2 PHE 4 HB2 PHE 4 10.651 9.037 3.649 32 HB3 PHE 4 HB1 PHE 4 11.736 9.089 2.260 33 HD1 PHE 4 HD1 PHE 4 9.611 11.138 2.526 34 HD2 PHE 4 HD2 PHE 4 9.438 7.210 0.763 35 HE1 PHE 4 HE1 PHE 4 7.752 11.865 1.056 36 HE2 PHE 4 HE2 PHE 4 7.580 7.948 -0.696 37 HZ PHE 4 HZ PHE 4 6.738 10.273 -0.546 38 H LEU 5 HN LEU 5 10.615 6.818 5.100 39 HA LEU 5 HA LEU 5 13.240 6.875 6.056 40 HB2 LEU 5 HB2 LEU 5 10.772 5.499 7.144 41 HB3 LEU 5 HB1 LEU 5 12.287 5.617 8.024 42 HG LEU 5 HG LEU 5 10.406 7.407 8.426 43 HD11 LEU 5 HD11 LEU 5 12.604 7.563 9.449 44 HD12 LEU 5 HD12 LEU 5 12.162 9.143 8.812 45 HD13 LEU 5 HD13 LEU 5 13.308 8.129 7.937 46 HD21 LEU 5 HD21 LEU 5 10.057 8.011 6.079 47 HD22 LEU 5 HD22 LEU 5 11.740 8.506 5.941 48 HD23 LEU 5 HD23 LEU 5 10.642 9.396 6.989 49 H GLY 6 HN GLY 6 11.242 4.244 4.855 50 HA2 GLY 6 HA2 GLY 6 12.954 2.098 5.533 51 HA3 GLY 6 HA1 GLY 6 11.741 2.084 4.255 52 H LYS 7 HN LYS 7 12.782 4.240 2.715 53 HA LYS 7 HA LYS 7 14.725 2.832 1.197 54 HB2 LYS 7 HB2 LYS 7 13.738 4.138 -0.344 55 HB3 LYS 7 HB1 LYS 7 13.100 5.222 0.884 56 HG2 LYS 7 HG2 LYS 7 16.017 5.396 0.196 57 HG3 LYS 7 HG1 LYS 7 14.837 6.095 -0.912 58 HD2 LYS 7 HD2 LYS 7 13.859 7.391 0.951 59 HD3 LYS 7 HD1 LYS 7 15.069 6.736 2.049 60 HE2 LYS 7 HE2 LYS 7 15.386 8.740 -0.157 61 HE3 LYS 7 HE1 LYS 7 16.082 8.738 1.457 62 HZ1 LYS 7 HZ1 LYS 7 16.872 6.802 -0.650 63 HZ2 LYS 7 HZ2 LYS 7 17.648 7.088 0.831 64 HZ3 LYS 7 HZ3 LYS 7 17.680 8.268 -0.388 65 H ILE 8 HN ILE 8 14.862 5.329 3.629 66 HA ILE 8 HA ILE 8 17.422 6.349 3.190 67 HB ILE 8 HB ILE 8 16.097 5.796 5.861 68 HG12 ILE 8 HG12 ILE 8 14.825 7.236 4.151 69 HG13 ILE 8 HG11 ILE 8 15.158 7.998 5.701 70 HG21 ILE 8 HG21 ILE 8 17.689 8.106 5.998 71 HG22 ILE 8 HG22 ILE 8 18.673 6.945 5.116 72 HG23 ILE 8 HG23 ILE 8 18.057 6.539 6.715 73 HD11 ILE 8 HD11 ILE 8 17.037 8.309 3.356 74 HD12 ILE 8 HD12 ILE 8 16.926 9.306 4.804 75 HD13 ILE 8 HD13 ILE 8 15.658 9.386 3.580 76 H ILE 9 HN ILE 9 16.505 3.616 5.311 77 HA ILE 9 HA ILE 9 19.229 2.838 5.743 78 HB ILE 9 HB ILE 9 17.947 0.659 6.541 79 HG12 ILE 9 HG12 ILE 9 15.704 2.444 7.183 80 HG13 ILE 9 HG11 ILE 9 15.823 2.091 5.462 81 HG21 ILE 9 HG21 ILE 9 17.369 1.981 8.682 82 HG22 ILE 9 HG22 ILE 9 18.003 3.388 7.827 83 HG23 ILE 9 HG23 ILE 9 19.048 2.003 8.143 84 HD11 ILE 9 HD11 ILE 9 15.776 -0.285 5.874 85 HD12 ILE 9 HD12 ILE 9 14.430 0.444 6.746 86 HD13 ILE 9 HD13 ILE 9 15.888 -0.027 7.616 87 H HIS 10 HN HIS 10 16.661 1.853 3.610 88 HA HIS 10 HA HIS 10 17.870 -0.502 2.621 89 HB2 HIS 10 HB2 HIS 10 15.425 0.242 2.444 90 HB3 HIS 10 HB1 HIS 10 15.946 1.207 1.065 91 HD2 HIS 10 HD2 HIS 10 17.840 -2.130 1.206 92 HE1 HIS 10 HE1 HIS 10 14.641 -2.695 -1.485 93 HE2 HIS 10 HE2 HIS 10 16.787 -3.709 -0.583 94 H HIS 11 HN HIS 11 18.142 2.888 1.610 95 HA HIS 11 HA HIS 11 19.332 2.354 -0.914 96 HB2 HIS 11 HB2 HIS 11 19.020 4.710 0.864 97 HB3 HIS 11 HB1 HIS 11 20.339 4.774 -0.308 98 HD2 HIS 11 HD2 HIS 11 17.397 2.778 -1.727 99 HE1 HIS 11 HE1 HIS 11 16.985 6.696 -3.245 100 HE2 HIS 11 HE2 HIS 11 16.171 4.300 -3.460 101 H VAL 12 HN VAL 12 20.585 2.869 2.305 102 HA VAL 12 HA VAL 12 23.312 2.935 1.648 103 HB VAL 12 HB VAL 12 22.624 1.774 4.240 104 HG11 VAL 12 HG11 VAL 12 24.738 2.829 3.992 105 HG12 VAL 12 HG12 VAL 12 23.771 3.961 4.937 106 HG13 VAL 12 HG13 VAL 12 24.023 4.244 3.214 107 HG21 VAL 12 HG21 VAL 12 21.280 4.319 3.306 108 HG22 VAL 12 HG22 VAL 12 21.527 3.942 5.012 109 HG23 VAL 12 HG23 VAL 12 20.519 2.897 4.014 110 H GLY 13 HN GLY 13 21.172 0.353 2.713 111 HA2 GLY 13 HA2 GLY 13 23.101 -1.730 2.678 112 HA3 GLY 13 HA1 GLY 13 21.356 -1.943 2.682 113 H ASN 14 HN ASN 14 20.810 -0.503 0.289 114 HA ASN 14 HA ASN 14 20.947 -2.518 -1.626 115 HB2 ASN 14 HB2 ASN 14 19.403 -0.569 -1.701 116 HB3 ASN 14 HB1 ASN 14 20.758 0.444 -2.199 117 HD21 ASN 14 HD21 ASN 14 21.225 0.478 -4.433 118 HD22 ASN 14 HD22 ASN 14 20.559 -0.599 -5.562 119 H PHE 15 HN PHE 15 23.316 -0.003 -0.920 120 HA PHE 15 HA PHE 15 24.786 -0.366 -3.359 121 HB2 PHE 15 HB2 PHE 15 25.388 0.983 -0.730 122 HB3 PHE 15 HB1 PHE 15 26.626 0.810 -1.975 123 HD1 PHE 15 HD1 PHE 15 23.881 2.769 -0.825 124 HD2 PHE 15 HD2 PHE 15 25.987 1.616 -4.388 125 HE1 PHE 15 HE1 PHE 15 22.937 4.729 -2.014 126 HE2 PHE 15 HE2 PHE 15 25.043 3.580 -5.574 127 HZ PHE 15 HZ PHE 15 23.520 5.136 -4.389 128 H VAL 16 HN VAL 16 24.890 -1.556 -0.101 129 HA VAL 16 HA VAL 16 27.271 -3.056 -0.317 130 HB VAL 16 HB VAL 16 25.128 -3.942 1.522 131 HG11 VAL 16 HG11 VAL 16 28.045 -3.187 1.725 132 HG12 VAL 16 HG12 VAL 16 27.342 -4.800 1.826 133 HG13 VAL 16 HG13 VAL 16 27.068 -3.638 3.124 134 HG21 VAL 16 HG21 VAL 16 24.579 -1.608 1.512 135 HG22 VAL 16 HG22 VAL 16 26.274 -1.133 1.522 136 HG23 VAL 16 HG23 VAL 16 25.556 -1.873 2.954 137 H HIS 17 HN HIS 17 23.852 -3.770 -0.667 138 HA HIS 17 HA HIS 17 24.051 -6.534 -1.160 139 HB2 HIS 17 HB2 HIS 17 21.966 -4.804 -0.933 140 HB3 HIS 17 HB1 HIS 17 21.986 -5.041 -2.680 141 HD2 HIS 17 HD2 HIS 17 20.351 -7.170 -3.283 142 HE1 HIS 17 HE1 HIS 17 21.160 -9.553 0.109 143 HE2 HIS 17 HE2 HIS 17 19.880 -9.447 -2.086 144 H GLY 18 HN GLY 18 24.174 -3.724 -3.329 145 HA2 GLY 18 HA2 GLY 18 24.355 -5.131 -5.762 146 HA3 GLY 18 HA1 GLY 18 24.990 -3.509 -5.475 147 H PHE 19 HN PHE 19 26.873 -3.898 -3.579 148 HA PHE 19 HA PHE 19 29.092 -4.851 -5.023 149 HB2 PHE 19 HB2 PHE 19 28.861 -3.279 -2.881 150 HB3 PHE 19 HB1 PHE 19 29.176 -4.794 -2.040 151 HD1 PHE 19 HD1 PHE 19 31.211 -6.183 -2.807 152 HD2 PHE 19 HD2 PHE 19 30.641 -2.049 -3.827 153 HE1 PHE 19 HE1 PHE 19 33.633 -5.970 -3.298 154 HE2 PHE 19 HE2 PHE 19 33.063 -1.836 -4.320 155 HZ PHE 19 HZ PHE 19 34.556 -3.798 -4.059 156 H SER 20 HN SER 20 27.259 -6.240 -2.356 157 HA SER 20 HA SER 20 28.681 -8.666 -2.155 158 HB2 SER 20 HB2 SER 20 25.766 -8.324 -1.495 159 HB3 SER 20 HB1 SER 20 26.940 -9.386 -0.719 160 HG SER 20 HG SER 20 26.712 -6.557 -0.601 161 H HIS 21 HN HIS 21 25.893 -7.676 -4.037 162 HA HIS 21 HA HIS 21 25.112 -10.178 -5.044 163 HB2 HIS 21 HB2 HIS 21 23.701 -8.251 -5.401 164 HB3 HIS 21 HB1 HIS 21 24.981 -7.413 -6.271 165 HD2 HIS 21 HD2 HIS 21 24.013 -11.155 -7.125 166 HE1 HIS 21 HE1 HIS 21 23.031 -8.707 -10.422 167 HE2 HIS 21 HE2 HIS 21 23.169 -11.107 -9.600 168 H VAL 22 HN VAL 22 27.341 -7.754 -6.424 169 HA VAL 22 HA VAL 22 28.197 -9.457 -8.564 170 HB VAL 22 HB VAL 22 29.539 -7.013 -7.363 171 HG11 VAL 22 HG11 VAL 22 30.580 -6.879 -9.650 172 HG12 VAL 22 HG12 VAL 22 29.928 -8.481 -9.992 173 HG13 VAL 22 HG13 VAL 22 31.122 -8.266 -8.710 174 HG21 VAL 22 HG21 VAL 22 27.768 -7.228 -9.813 175 HG22 VAL 22 HG22 VAL 22 28.387 -5.757 -9.066 176 HG23 VAL 22 HG23 VAL 22 27.175 -6.725 -8.230 177 H PHE 23 HN PHE 23 29.657 -8.441 -5.478 178 HA PHE 23 HA PHE 23 31.312 -9.359 -4.188 179 HB2 PHE 23 HB2 PHE 23 29.524 -11.412 -4.780 180 HB3 PHE 23 HB1 PHE 23 31.095 -12.107 -5.169 181 HD1 PHE 23 HD1 PHE 23 32.944 -10.950 -3.294 182 HD2 PHE 23 HD2 PHE 23 28.857 -12.129 -2.653 183 HE1 PHE 23 HE1 PHE 23 33.409 -11.247 -0.879 184 HE2 PHE 23 HE2 PHE 23 29.330 -12.428 -0.236 185 HZ PHE 23 HZ PHE 23 31.608 -11.982 0.653 186 HN1 NH2 24 H1 PHE 23 32.310 -8.241 -6.570 187 HN2 NH2 24 H2 PHE 23 33.610 -9.183 -7.122 Start of MODEL 5 1 H1 VAL 1 HT1 VAL 1 8.062 11.386 8.184 2 H2 VAL 1 HT2 VAL 1 7.891 10.025 9.180 3 H3 VAL 1 HT3 VAL 1 6.556 11.015 8.857 4 HA VAL 1 HA VAL 1 6.095 9.412 7.381 5 HB VAL 1 HB VAL 1 6.398 11.398 6.033 6 HG11 VAL 1 HG11 VAL 1 8.827 11.565 4.931 7 HG12 VAL 1 HG12 VAL 1 9.295 10.808 6.454 8 HG13 VAL 1 HG13 VAL 1 8.450 12.351 6.462 9 HG21 VAL 1 HG21 VAL 1 6.004 9.512 4.644 10 HG22 VAL 1 HG22 VAL 1 7.650 8.921 4.833 11 HG23 VAL 1 HG23 VAL 1 7.339 10.370 3.881 12 H PHE 2 HN PHE 2 6.988 7.585 8.550 13 HA PHE 2 HA PHE 2 9.629 6.684 8.378 14 HB2 PHE 2 HB2 PHE 2 7.073 5.567 9.221 15 HB3 PHE 2 HB1 PHE 2 8.119 4.355 8.476 16 HD1 PHE 2 HD1 PHE 2 9.819 3.372 9.730 17 HD2 PHE 2 HD2 PHE 2 8.236 7.175 10.944 18 HE1 PHE 2 HE1 PHE 2 11.226 3.309 11.767 19 HE2 PHE 2 HE2 PHE 2 9.642 7.108 12.984 20 HZ PHE 2 HZ PHE 2 11.139 5.177 13.396 21 H GLN 3 HN GLN 3 6.991 6.417 6.138 22 HA GLN 3 HA GLN 3 7.880 4.370 4.469 23 HB2 GLN 3 HB2 GLN 3 6.318 6.895 3.882 24 HB3 GLN 3 HB1 GLN 3 6.674 5.700 2.636 25 HG2 GLN 3 HG2 GLN 3 5.411 4.024 3.699 26 HG3 GLN 3 HG1 GLN 3 5.432 4.860 5.245 27 HE21 GLN 3 HE21 GLN 3 3.418 4.208 2.647 28 HE22 GLN 3 HE22 GLN 3 2.357 5.521 2.813 29 H PHE 4 HN PHE 4 9.067 7.607 4.917 30 HA PHE 4 HA PHE 4 10.527 7.821 2.464 31 HB2 PHE 4 HB2 PHE 4 9.835 9.712 4.049 32 HB3 PHE 4 HB1 PHE 4 11.206 9.234 5.045 33 HD1 PHE 4 HD1 PHE 4 10.142 10.745 1.882 34 HD2 PHE 4 HD2 PHE 4 13.524 9.421 4.184 35 HE1 PHE 4 HE1 PHE 4 11.664 12.019 0.391 36 HE2 PHE 4 HE2 PHE 4 15.038 10.697 2.698 37 HZ PHE 4 HZ PHE 4 14.112 12.000 0.806 38 H LEU 5 HN LEU 5 11.345 6.817 5.751 39 HA LEU 5 HA LEU 5 14.090 6.432 5.367 40 HB2 LEU 5 HB2 LEU 5 12.551 4.554 7.110 41 HB3 LEU 5 HB1 LEU 5 14.075 5.381 7.420 42 HG LEU 5 HG LEU 5 11.295 6.577 7.458 43 HD11 LEU 5 HD11 LEU 5 13.459 6.379 9.564 44 HD12 LEU 5 HD12 LEU 5 12.000 5.387 9.492 45 HD13 LEU 5 HD13 LEU 5 11.874 7.124 9.778 46 HD21 LEU 5 HD21 LEU 5 13.070 8.522 8.337 47 HD22 LEU 5 HD22 LEU 5 12.252 8.496 6.775 48 HD23 LEU 5 HD23 LEU 5 13.879 7.833 6.927 49 H GLY 6 HN GLY 6 11.344 4.483 4.476 50 HA2 GLY 6 HA2 GLY 6 12.543 2.008 4.049 51 HA3 GLY 6 HA1 GLY 6 11.159 2.616 3.148 52 H LYS 7 HN LYS 7 12.274 4.755 1.762 53 HA LYS 7 HA LYS 7 13.694 3.347 -0.272 54 HB2 LYS 7 HB2 LYS 7 14.010 5.780 -1.211 55 HB3 LYS 7 HB1 LYS 7 12.440 4.999 -1.274 56 HG2 LYS 7 HG2 LYS 7 11.809 7.022 -0.383 57 HG3 LYS 7 HG1 LYS 7 12.170 6.178 1.111 58 HD2 LYS 7 HD2 LYS 7 13.471 8.067 1.456 59 HD3 LYS 7 HD1 LYS 7 14.642 7.086 0.580 60 HE2 LYS 7 HE2 LYS 7 14.456 9.412 -0.328 61 HE3 LYS 7 HE1 LYS 7 14.069 8.174 -1.518 62 HZ1 LYS 7 HZ1 LYS 7 11.861 8.674 -1.468 63 HZ2 LYS 7 HZ2 LYS 7 12.515 10.212 -1.179 64 HZ3 LYS 7 HZ3 LYS 7 11.897 9.287 0.107 65 H ILE 8 HN ILE 8 14.550 5.308 2.433 66 HA ILE 8 HA ILE 8 17.221 5.914 1.627 67 HB ILE 8 HB ILE 8 16.091 5.732 4.436 68 HG12 ILE 8 HG12 ILE 8 14.923 7.314 2.753 69 HG13 ILE 8 HG11 ILE 8 15.498 8.032 4.254 70 HG21 ILE 8 HG21 ILE 8 18.630 6.766 3.220 71 HG22 ILE 8 HG22 ILE 8 18.391 5.881 4.730 72 HG23 ILE 8 HG23 ILE 8 17.961 7.589 4.629 73 HD11 ILE 8 HD11 ILE 8 17.436 7.968 2.000 74 HD12 ILE 8 HD12 ILE 8 17.158 9.219 3.215 75 HD13 ILE 8 HD13 ILE 8 16.072 9.071 1.830 76 H ILE 9 HN ILE 9 15.927 3.490 3.954 77 HA ILE 9 HA ILE 9 18.387 2.232 4.460 78 HB ILE 9 HB ILE 9 16.855 0.151 4.847 79 HG12 ILE 9 HG12 ILE 9 14.589 1.908 5.301 80 HG13 ILE 9 HG11 ILE 9 15.032 1.879 3.600 81 HG21 ILE 9 HG21 ILE 9 16.364 0.946 7.039 82 HG22 ILE 9 HG22 ILE 9 16.264 2.621 6.488 83 HG23 ILE 9 HG23 ILE 9 17.826 1.803 6.551 84 HD11 ILE 9 HD11 ILE 9 13.721 -0.162 5.177 85 HD12 ILE 9 HD12 ILE 9 15.189 -0.800 4.441 86 HD13 ILE 9 HD13 ILE 9 13.934 -0.082 3.432 87 H HIS 10 HN HIS 10 16.051 1.829 1.919 88 HA HIS 10 HA HIS 10 17.048 -0.512 0.743 89 HB2 HIS 10 HB2 HIS 10 14.862 0.677 0.219 90 HB3 HIS 10 HB1 HIS 10 15.808 1.765 -0.798 91 HD2 HIS 10 HD2 HIS 10 16.793 0.596 -3.200 92 HE1 HIS 10 HE1 HIS 10 15.018 -3.199 -2.615 93 HE2 HIS 10 HE2 HIS 10 16.290 -1.737 -4.273 94 H HIS 11 HN HIS 11 18.091 2.860 0.424 95 HA HIS 11 HA HIS 11 19.773 2.368 -1.851 96 HB2 HIS 11 HB2 HIS 11 19.402 4.620 0.097 97 HB3 HIS 11 HB1 HIS 11 20.875 4.570 -0.874 98 HD2 HIS 11 HD2 HIS 11 17.169 3.734 -2.093 99 HE1 HIS 11 HE1 HIS 11 18.831 6.736 -4.565 100 HE2 HIS 11 HE2 HIS 11 16.796 5.252 -4.197 101 H VAL 12 HN VAL 12 20.134 2.472 1.615 102 HA VAL 12 HA VAL 12 22.929 2.052 1.689 103 HB VAL 12 HB VAL 12 21.266 1.065 3.924 104 HG11 VAL 12 HG11 VAL 12 23.644 1.378 4.209 105 HG12 VAL 12 HG12 VAL 12 22.815 2.620 5.147 106 HG13 VAL 12 HG13 VAL 12 23.546 3.028 3.593 107 HG21 VAL 12 HG21 VAL 12 21.006 3.804 2.728 108 HG22 VAL 12 HG22 VAL 12 20.902 3.609 4.475 109 HG23 VAL 12 HG23 VAL 12 19.767 2.773 3.429 110 H GLY 13 HN GLY 13 20.109 -0.051 1.974 111 HA2 GLY 13 HA2 GLY 13 21.478 -2.497 2.315 112 HA3 GLY 13 HA1 GLY 13 19.853 -2.326 1.656 113 H ASN 14 HN ASN 14 20.407 -0.735 -0.554 114 HA ASN 14 HA ASN 14 21.155 -2.607 -2.508 115 HB2 ASN 14 HB2 ASN 14 19.782 -0.571 -2.933 116 HB3 ASN 14 HB1 ASN 14 21.236 0.406 -2.749 117 HD21 ASN 14 HD21 ASN 14 22.636 0.558 -4.558 118 HD22 ASN 14 HD22 ASN 14 22.402 -0.318 -5.994 119 H PHE 15 HN PHE 15 23.028 -0.381 -0.567 120 HA PHE 15 HA PHE 15 25.376 -0.348 -2.181 121 HB2 PHE 15 HB2 PHE 15 24.661 1.175 -0.142 122 HB3 PHE 15 HB1 PHE 15 25.468 -0.070 0.809 123 HD1 PHE 15 HD1 PHE 15 25.932 2.257 -2.050 124 HD2 PHE 15 HD2 PHE 15 27.840 -0.161 0.940 125 HE1 PHE 15 HE1 PHE 15 28.126 3.219 -2.676 126 HE2 PHE 15 HE2 PHE 15 30.040 0.802 0.318 127 HZ PHE 15 HZ PHE 15 30.187 2.487 -1.498 128 H VAL 16 HN VAL 16 24.245 -2.164 0.571 129 HA VAL 16 HA VAL 16 26.485 -3.870 0.818 130 HB VAL 16 HB VAL 16 23.876 -4.902 1.671 131 HG11 VAL 16 HG11 VAL 16 26.135 -5.642 2.482 132 HG12 VAL 16 HG12 VAL 16 25.052 -5.135 3.780 133 HG13 VAL 16 HG13 VAL 16 26.329 -4.052 3.225 134 HG21 VAL 16 HG21 VAL 16 23.257 -2.588 1.834 135 HG22 VAL 16 HG22 VAL 16 24.810 -2.149 2.536 136 HG23 VAL 16 HG23 VAL 16 23.666 -3.117 3.460 137 H HIS 17 HN HIS 17 23.347 -4.044 -0.741 138 HA HIS 17 HA HIS 17 23.483 -6.658 -1.767 139 HB2 HIS 17 HB2 HIS 17 21.633 -4.659 -1.840 140 HB3 HIS 17 HB1 HIS 17 22.245 -4.588 -3.493 141 HD2 HIS 17 HD2 HIS 17 22.655 -7.843 -3.958 142 HE1 HIS 17 HE1 HIS 17 18.541 -8.084 -3.031 143 HE2 HIS 17 HE2 HIS 17 20.489 -9.301 -4.118 144 H GLY 18 HN GLY 18 24.597 -3.539 -3.030 145 HA2 GLY 18 HA2 GLY 18 25.537 -4.385 -5.536 146 HA3 GLY 18 HA1 GLY 18 26.177 -3.014 -4.623 147 H PHE 19 HN PHE 19 27.246 -4.091 -2.412 148 HA PHE 19 HA PHE 19 29.707 -5.150 -3.248 149 HB2 PHE 19 HB2 PHE 19 28.356 -4.670 -0.676 150 HB3 PHE 19 HB1 PHE 19 29.504 -6.007 -0.644 151 HD1 PHE 19 HD1 PHE 19 29.103 -2.404 -0.833 152 HD2 PHE 19 HD2 PHE 19 31.886 -5.623 -1.411 153 HE1 PHE 19 HE1 PHE 19 30.981 -0.786 -0.778 154 HE2 PHE 19 HE2 PHE 19 33.767 -4.005 -1.354 155 HZ PHE 19 HZ PHE 19 33.314 -1.582 -1.036 156 H SER 20 HN SER 20 26.754 -6.653 -2.111 157 HA SER 20 HA SER 20 27.694 -9.318 -2.057 158 HB2 SER 20 HB2 SER 20 24.861 -8.532 -2.713 159 HB3 SER 20 HB1 SER 20 25.433 -9.973 -1.869 160 HG SER 20 HG SER 20 25.698 -7.280 -0.936 161 H HIS 21 HN HIS 21 26.221 -7.303 -4.509 162 HA HIS 21 HA HIS 21 26.079 -9.282 -6.553 163 HB2 HIS 21 HB2 HIS 21 26.198 -6.262 -6.668 164 HB3 HIS 21 HB1 HIS 21 26.017 -7.276 -8.096 165 HD2 HIS 21 HD2 HIS 21 23.593 -5.286 -6.411 166 HE1 HIS 21 HE1 HIS 21 21.591 -9.001 -6.525 167 HE2 HIS 21 HE2 HIS 21 21.293 -6.498 -6.195 168 H VAL 22 HN VAL 22 28.458 -6.827 -5.632 169 HA VAL 22 HA VAL 22 30.327 -7.235 -7.689 170 HB VAL 22 HB VAL 22 30.800 -6.491 -4.781 171 HG11 VAL 22 HG11 VAL 22 32.556 -5.801 -7.134 172 HG12 VAL 22 HG12 VAL 22 32.797 -7.282 -6.214 173 HG13 VAL 22 HG13 VAL 22 32.935 -5.720 -5.418 174 HG21 VAL 22 HG21 VAL 22 30.180 -4.363 -5.304 175 HG22 VAL 22 HG22 VAL 22 29.320 -5.117 -6.649 176 HG23 VAL 22 HG23 VAL 22 30.930 -4.438 -6.895 177 H PHE 23 HN PHE 23 29.842 -8.845 -4.577 178 HA PHE 23 HA PHE 23 32.087 -10.602 -4.778 179 HB2 PHE 23 HB2 PHE 23 30.269 -9.977 -2.793 180 HB3 PHE 23 HB1 PHE 23 29.755 -11.595 -3.266 181 HD1 PHE 23 HD1 PHE 23 31.383 -10.278 -0.759 182 HD2 PHE 23 HD2 PHE 23 32.334 -12.820 -4.075 183 HE1 PHE 23 HE1 PHE 23 33.275 -11.230 0.518 184 HE2 PHE 23 HE2 PHE 23 34.236 -13.777 -2.799 185 HZ PHE 23 HZ PHE 23 34.705 -12.976 -0.496 186 HN1 NH2 24 H1 PHE 23 28.572 -11.171 -5.339 187 HN2 NH2 24 H2 PHE 23 28.806 -12.479 -6.396 Start of MODEL 6 1 H1 VAL 1 HT1 VAL 1 5.222 10.604 4.013 2 H2 VAL 1 HT2 VAL 1 6.852 10.679 4.466 3 H3 VAL 1 HT3 VAL 1 5.723 11.716 5.191 4 HA VAL 1 HA VAL 1 5.335 10.271 6.772 5 HB VAL 1 HB VAL 1 3.693 9.405 4.998 6 HG11 VAL 1 HG11 VAL 1 5.990 8.041 4.089 7 HG12 VAL 1 HG12 VAL 1 4.330 7.828 3.529 8 HG13 VAL 1 HG13 VAL 1 4.960 6.806 4.818 9 HG21 VAL 1 HG21 VAL 1 4.560 7.205 6.860 10 HG22 VAL 1 HG22 VAL 1 2.934 7.751 6.471 11 HG23 VAL 1 HG23 VAL 1 3.960 8.726 7.518 12 H PHE 2 HN PHE 2 6.041 7.992 7.625 13 HA PHE 2 HA PHE 2 8.820 7.989 7.820 14 HB2 PHE 2 HB2 PHE 2 7.775 5.335 8.282 15 HB3 PHE 2 HB1 PHE 2 8.421 6.499 9.436 16 HD1 PHE 2 HD1 PHE 2 5.538 4.695 8.620 17 HD2 PHE 2 HD2 PHE 2 6.795 8.634 9.795 18 HE1 PHE 2 HE1 PHE 2 3.263 5.168 9.470 19 HE2 PHE 2 HE2 PHE 2 4.511 9.109 10.650 20 HZ PHE 2 HZ PHE 2 2.749 7.367 10.480 21 H GLN 3 HN GLN 3 6.698 6.307 5.625 22 HA GLN 3 HA GLN 3 8.392 4.383 4.573 23 HB2 GLN 3 HB2 GLN 3 6.286 6.047 3.184 24 HB3 GLN 3 HB1 GLN 3 7.097 4.683 2.428 25 HG2 GLN 3 HG2 GLN 3 6.194 3.883 5.030 26 HG3 GLN 3 HG1 GLN 3 4.851 4.635 4.176 27 HE21 GLN 3 HE21 GLN 3 5.635 1.665 4.784 28 HE22 GLN 3 HE22 GLN 3 5.453 0.907 3.276 29 H PHE 4 HN PHE 4 8.498 7.848 4.140 30 HA PHE 4 HA PHE 4 10.074 7.867 1.770 31 HB2 PHE 4 HB2 PHE 4 8.739 9.805 3.008 32 HB3 PHE 4 HB1 PHE 4 10.305 10.079 3.771 33 HD1 PHE 4 HD1 PHE 4 11.481 11.802 2.731 34 HD2 PHE 4 HD2 PHE 4 9.186 9.094 0.321 35 HE1 PHE 4 HE1 PHE 4 12.275 12.955 0.683 36 HE2 PHE 4 HE2 PHE 4 9.980 10.242 -1.729 37 HZ PHE 4 HZ PHE 4 11.531 12.169 -1.544 38 H LEU 5 HN LEU 5 10.958 8.485 5.155 39 HA LEU 5 HA LEU 5 13.756 8.360 4.650 40 HB2 LEU 5 HB2 LEU 5 12.661 7.845 7.383 41 HB3 LEU 5 HB1 LEU 5 14.028 8.842 6.884 42 HG LEU 5 HG LEU 5 12.148 10.277 5.688 43 HD11 LEU 5 HD11 LEU 5 10.387 9.843 7.917 44 HD12 LEU 5 HD12 LEU 5 10.620 8.322 7.052 45 HD13 LEU 5 HD13 LEU 5 10.029 9.745 6.193 46 HD21 LEU 5 HD21 LEU 5 12.896 10.241 8.612 47 HD22 LEU 5 HD22 LEU 5 11.827 11.488 7.959 48 HD23 LEU 5 HD23 LEU 5 13.471 11.322 7.339 49 H GLY 6 HN GLY 6 11.303 6.050 5.627 50 HA2 GLY 6 HA2 GLY 6 12.884 4.014 6.666 51 HA3 GLY 6 HA1 GLY 6 11.342 3.763 5.861 52 H LYS 7 HN LYS 7 11.987 4.511 3.228 53 HA LYS 7 HA LYS 7 13.128 2.146 2.267 54 HB2 LYS 7 HB2 LYS 7 13.381 3.430 0.068 55 HB3 LYS 7 HB1 LYS 7 11.760 3.283 0.731 56 HG2 LYS 7 HG2 LYS 7 12.024 5.574 0.063 57 HG3 LYS 7 HG1 LYS 7 12.119 5.548 1.821 58 HD2 LYS 7 HD2 LYS 7 14.282 6.214 1.830 59 HD3 LYS 7 HD1 LYS 7 14.709 5.147 0.488 60 HE2 LYS 7 HE2 LYS 7 14.951 7.532 -0.132 61 HE3 LYS 7 HE1 LYS 7 13.721 6.729 -1.108 62 HZ1 LYS 7 HZ1 LYS 7 13.384 9.025 0.308 63 HZ2 LYS 7 HZ2 LYS 7 12.681 7.856 1.325 64 HZ3 LYS 7 HZ3 LYS 7 12.131 8.035 -0.277 65 H ILE 8 HN ILE 8 14.661 5.028 3.360 66 HA ILE 8 HA ILE 8 17.031 5.074 1.956 67 HB ILE 8 HB ILE 8 16.646 5.582 4.916 68 HG12 ILE 8 HG12 ILE 8 16.626 7.470 2.535 69 HG13 ILE 8 HG11 ILE 8 15.188 6.930 3.398 70 HG21 ILE 8 HG21 ILE 8 19.042 5.287 4.224 71 HG22 ILE 8 HG22 ILE 8 18.679 6.923 4.771 72 HG23 ILE 8 HG23 ILE 8 18.817 6.584 3.049 73 HD11 ILE 8 HD11 ILE 8 15.969 7.972 5.454 74 HD12 ILE 8 HD12 ILE 8 15.989 9.166 4.160 75 HD13 ILE 8 HD13 ILE 8 17.493 8.412 4.683 76 H ILE 9 HN ILE 9 16.180 2.910 4.677 77 HA ILE 9 HA ILE 9 18.728 1.823 5.106 78 HB ILE 9 HB ILE 9 17.452 -0.285 5.769 79 HG12 ILE 9 HG12 ILE 9 14.916 1.091 5.992 80 HG13 ILE 9 HG11 ILE 9 15.400 0.989 4.303 81 HG21 ILE 9 HG21 ILE 9 16.473 0.850 7.772 82 HG22 ILE 9 HG22 ILE 9 16.743 2.402 6.975 83 HG23 ILE 9 HG23 ILE 9 18.115 1.381 7.409 84 HD11 ILE 9 HD11 ILE 9 14.125 -1.015 5.617 85 HD12 ILE 9 HD12 ILE 9 15.804 -1.477 5.898 86 HD13 ILE 9 HD13 ILE 9 15.207 -1.285 4.248 87 H HIS 10 HN HIS 10 16.274 1.112 2.761 88 HA HIS 10 HA HIS 10 17.478 -1.162 1.577 89 HB2 HIS 10 HB2 HIS 10 15.050 -0.186 1.322 90 HB3 HIS 10 HB1 HIS 10 15.763 0.722 -0.010 91 HD2 HIS 10 HD2 HIS 10 17.474 -1.358 -1.638 92 HE1 HIS 10 HE1 HIS 10 14.327 -4.141 -1.195 93 HE2 HIS 10 HE2 HIS 10 16.442 -3.599 -2.504 94 H HIS 11 HN HIS 11 17.927 2.309 1.134 95 HA HIS 11 HA HIS 11 19.307 2.133 -1.356 96 HB2 HIS 11 HB2 HIS 11 19.254 4.202 0.839 97 HB3 HIS 11 HB1 HIS 11 20.277 4.382 -0.582 98 HD2 HIS 11 HD2 HIS 11 16.661 2.898 -1.014 99 HE1 HIS 11 HE1 HIS 11 16.690 6.773 -2.708 100 HE2 HIS 11 HE2 HIS 11 15.322 4.644 -2.431 101 H VAL 12 HN VAL 12 20.217 2.107 2.006 102 HA VAL 12 HA VAL 12 23.006 2.027 1.637 103 HB VAL 12 HB VAL 12 21.853 0.660 3.984 104 HG11 VAL 12 HG11 VAL 12 23.321 3.145 4.368 105 HG12 VAL 12 HG12 VAL 12 24.182 2.020 3.323 106 HG13 VAL 12 HG13 VAL 12 23.698 1.524 4.941 107 HG21 VAL 12 HG21 VAL 12 21.124 2.995 4.874 108 HG22 VAL 12 HG22 VAL 12 20.033 2.144 3.792 109 HG23 VAL 12 HG23 VAL 12 21.034 3.454 3.176 110 H GLY 13 HN GLY 13 20.554 -0.436 2.218 111 HA2 GLY 13 HA2 GLY 13 22.225 -2.699 2.127 112 HA3 GLY 13 HA1 GLY 13 20.498 -2.697 1.796 113 H ASN 14 HN ASN 14 20.530 -0.899 -0.384 114 HA ASN 14 HA ASN 14 20.899 -2.617 -2.545 115 HB2 ASN 14 HB2 ASN 14 19.803 -0.957 -3.570 116 HB3 ASN 14 HB1 ASN 14 20.023 0.056 -2.148 117 HD21 ASN 14 HD21 ASN 14 22.054 1.406 -2.087 118 HD22 ASN 14 HD22 ASN 14 22.785 1.854 -3.554 119 H PHE 15 HN PHE 15 23.212 -0.472 -0.964 120 HA PHE 15 HA PHE 15 25.125 -0.625 -3.104 121 HB2 PHE 15 HB2 PHE 15 24.902 0.736 -0.558 122 HB3 PHE 15 HB1 PHE 15 26.486 -0.021 -0.715 123 HD1 PHE 15 HD1 PHE 15 24.582 2.841 -1.507 124 HD2 PHE 15 HD2 PHE 15 27.616 0.256 -3.110 125 HE1 PHE 15 HE1 PHE 15 25.269 4.624 -3.083 126 HE2 PHE 15 HE2 PHE 15 28.304 2.042 -4.688 127 HZ PHE 15 HZ PHE 15 27.133 4.228 -4.677 128 H VAL 16 HN VAL 16 24.663 -2.111 0.031 129 HA VAL 16 HA VAL 16 26.889 -3.808 0.009 130 HB VAL 16 HB VAL 16 24.417 -4.814 1.253 131 HG11 VAL 16 HG11 VAL 16 26.585 -5.714 1.864 132 HG12 VAL 16 HG12 VAL 16 25.949 -4.814 3.239 133 HG13 VAL 16 HG13 VAL 16 27.194 -4.098 2.220 134 HG21 VAL 16 HG21 VAL 16 24.486 -2.989 2.998 135 HG22 VAL 16 HG22 VAL 16 23.886 -2.481 1.427 136 HG23 VAL 16 HG23 VAL 16 25.528 -2.074 1.910 137 H HIS 17 HN HIS 17 23.600 -4.107 -1.173 138 HA HIS 17 HA HIS 17 23.674 -6.791 -2.030 139 HB2 HIS 17 HB2 HIS 17 21.631 -5.291 -1.932 140 HB3 HIS 17 HB1 HIS 17 22.220 -4.511 -3.397 141 HD2 HIS 17 HD2 HIS 17 22.166 -6.187 -5.738 142 HE1 HIS 17 HE1 HIS 17 19.830 -9.225 -3.966 143 HE2 HIS 17 HE2 HIS 17 20.760 -8.348 -6.164 144 H GLY 18 HN GLY 18 24.584 -3.745 -3.602 145 HA2 GLY 18 HA2 GLY 18 25.339 -4.826 -6.115 146 HA3 GLY 18 HA1 GLY 18 25.917 -3.305 -5.438 147 H PHE 19 HN PHE 19 27.265 -3.972 -3.228 148 HA PHE 19 HA PHE 19 29.742 -4.914 -4.139 149 HB2 PHE 19 HB2 PHE 19 28.628 -4.844 -1.322 150 HB3 PHE 19 HB1 PHE 19 30.318 -5.143 -1.716 151 HD1 PHE 19 HD1 PHE 19 30.782 -3.241 -3.945 152 HD2 PHE 19 HD2 PHE 19 28.600 -2.735 -0.275 153 HE1 PHE 19 HE1 PHE 19 31.176 -0.794 -4.050 154 HE2 PHE 19 HE2 PHE 19 28.992 -0.292 -0.378 155 HZ PHE 19 HZ PHE 19 30.273 0.686 -2.267 156 H SER 20 HN SER 20 27.180 -6.533 -2.340 157 HA SER 20 HA SER 20 28.358 -9.057 -2.076 158 HB2 SER 20 HB2 SER 20 25.433 -8.581 -2.628 159 HB3 SER 20 HB1 SER 20 26.150 -9.926 -1.748 160 HG SER 20 HG SER 20 26.274 -7.179 -0.986 161 H HIS 21 HN HIS 21 26.434 -7.662 -4.669 162 HA HIS 21 HA HIS 21 26.303 -9.902 -6.359 163 HB2 HIS 21 HB2 HIS 21 25.879 -7.007 -6.603 164 HB3 HIS 21 HB1 HIS 21 26.468 -7.746 -8.089 165 HD2 HIS 21 HD2 HIS 21 23.733 -7.379 -9.085 166 HE1 HIS 21 HE1 HIS 21 22.197 -10.578 -6.796 167 HE2 HIS 21 HE2 HIS 21 21.703 -8.982 -8.712 168 H VAL 22 HN VAL 22 28.635 -7.216 -6.257 169 HA VAL 22 HA VAL 22 30.334 -8.207 -8.290 170 HB VAL 22 HB VAL 22 31.274 -6.556 -5.938 171 HG11 VAL 22 HG11 VAL 22 32.785 -7.443 -7.874 172 HG12 VAL 22 HG12 VAL 22 32.902 -5.739 -7.433 173 HG13 VAL 22 HG13 VAL 22 31.972 -6.221 -8.853 174 HG21 VAL 22 HG21 VAL 22 29.679 -5.035 -6.430 175 HG22 VAL 22 HG22 VAL 22 29.162 -5.939 -7.854 176 HG23 VAL 22 HG23 VAL 22 30.501 -4.798 -7.970 177 H PHE 23 HN PHE 23 30.378 -8.544 -4.744 178 HA PHE 23 HA PHE 23 32.594 -10.456 -4.931 179 HB2 PHE 23 HB2 PHE 23 31.154 -9.566 -2.425 180 HB3 PHE 23 HB1 PHE 23 32.764 -10.270 -2.560 181 HD1 PHE 23 HD1 PHE 23 33.796 -8.719 -4.926 182 HD2 PHE 23 HD2 PHE 23 31.621 -7.449 -1.452 183 HE1 PHE 23 HE1 PHE 23 34.763 -6.452 -5.153 184 HE2 PHE 23 HE2 PHE 23 32.594 -5.177 -1.678 185 HZ PHE 23 HZ PHE 23 34.158 -4.679 -3.536 186 HN1 NH2 24 H1 PHE 23 30.192 -11.377 -6.144 187 HN2 NH2 24 H2 PHE 23 29.584 -12.653 -5.205 Start of MODEL 7 1 H1 VAL 1 HT1 VAL 1 6.018 9.753 8.411 2 H2 VAL 1 HT2 VAL 1 5.180 10.136 6.988 3 H3 VAL 1 HT3 VAL 1 5.816 11.367 7.961 4 HA VAL 1 HA VAL 1 7.034 10.528 5.795 5 HB VAL 1 HB VAL 1 9.156 11.345 6.879 6 HG11 VAL 1 HG11 VAL 1 6.922 12.750 6.191 7 HG12 VAL 1 HG12 VAL 1 8.411 13.512 6.754 8 HG13 VAL 1 HG13 VAL 1 7.083 13.227 7.882 9 HG21 VAL 1 HG21 VAL 1 7.558 11.882 9.364 10 HG22 VAL 1 HG22 VAL 1 9.303 11.755 9.169 11 HG23 VAL 1 HG23 VAL 1 8.309 10.299 9.169 12 H PHE 2 HN PHE 2 6.319 8.267 8.035 13 HA PHE 2 HA PHE 2 8.660 6.791 8.431 14 HB2 PHE 2 HB2 PHE 2 5.949 5.574 7.920 15 HB3 PHE 2 HB1 PHE 2 7.252 4.933 8.916 16 HD1 PHE 2 HD1 PHE 2 8.084 6.619 10.825 17 HD2 PHE 2 HD2 PHE 2 4.188 6.660 9.021 18 HE1 PHE 2 HE1 PHE 2 7.189 7.817 12.797 19 HE2 PHE 2 HE2 PHE 2 3.285 7.860 11.000 20 HZ PHE 2 HZ PHE 2 4.790 8.442 12.886 21 H GLN 3 HN GLN 3 6.590 7.104 5.663 22 HA GLN 3 HA GLN 3 7.392 4.831 4.196 23 HB2 GLN 3 HB2 GLN 3 6.591 7.461 2.961 24 HB3 GLN 3 HB1 GLN 3 6.312 5.837 2.344 25 HG2 GLN 3 HG2 GLN 3 4.227 6.246 3.242 26 HG3 GLN 3 HG1 GLN 3 5.014 5.575 4.668 27 HE21 GLN 3 HE21 GLN 3 2.996 7.993 3.895 28 HE22 GLN 3 HE22 GLN 3 3.494 9.180 5.000 29 H PHE 4 HN PHE 4 8.862 7.990 4.595 30 HA PHE 4 HA PHE 4 10.624 7.811 2.359 31 HB2 PHE 4 HB2 PHE 4 11.178 9.375 4.886 32 HB3 PHE 4 HB1 PHE 4 11.737 9.717 3.253 33 HD1 PHE 4 HD1 PHE 4 10.344 11.774 4.927 34 HD2 PHE 4 HD2 PHE 4 8.747 8.837 2.210 35 HE1 PHE 4 HE1 PHE 4 8.343 13.189 4.561 36 HE2 PHE 4 HE2 PHE 4 6.746 10.259 1.860 37 HZ PHE 4 HZ PHE 4 6.542 12.430 3.033 38 H LEU 5 HN LEU 5 10.957 7.046 5.795 39 HA LEU 5 HA LEU 5 13.663 6.376 5.824 40 HB2 LEU 5 HB2 LEU 5 11.898 4.672 7.477 41 HB3 LEU 5 HB1 LEU 5 13.299 5.635 7.941 42 HG LEU 5 HG LEU 5 10.526 6.724 7.344 43 HD11 LEU 5 HD11 LEU 5 10.596 5.552 9.471 44 HD12 LEU 5 HD12 LEU 5 10.577 7.288 9.775 45 HD13 LEU 5 HD13 LEU 5 12.084 6.385 9.916 46 HD21 LEU 5 HD21 LEU 5 13.195 7.998 7.864 47 HD22 LEU 5 HD22 LEU 5 11.749 8.784 8.493 48 HD23 LEU 5 HD23 LEU 5 11.917 8.503 6.758 49 H GLY 6 HN GLY 6 10.867 4.504 4.850 50 HA2 GLY 6 HA2 GLY 6 12.011 1.952 4.688 51 HA3 GLY 6 HA1 GLY 6 10.672 2.524 3.697 52 H LYS 7 HN LYS 7 11.936 4.590 2.320 53 HA LYS 7 HA LYS 7 13.267 3.064 0.317 54 HB2 LYS 7 HB2 LYS 7 12.423 4.709 -0.926 55 HB3 LYS 7 HB1 LYS 7 12.028 5.640 0.503 56 HG2 LYS 7 HG2 LYS 7 14.887 5.673 -0.401 57 HG3 LYS 7 HG1 LYS 7 13.708 6.568 -1.352 58 HD2 LYS 7 HD2 LYS 7 12.991 7.285 1.195 59 HD3 LYS 7 HD1 LYS 7 14.741 7.133 1.346 60 HE2 LYS 7 HE2 LYS 7 15.092 8.679 -0.497 61 HE3 LYS 7 HE1 LYS 7 13.361 8.720 -0.835 62 HZ1 LYS 7 HZ1 LYS 7 14.554 10.531 0.644 63 HZ2 LYS 7 HZ2 LYS 7 14.179 9.429 1.876 64 HZ3 LYS 7 HZ3 LYS 7 12.947 10.075 0.902 65 H ILE 8 HN ILE 8 14.299 5.177 2.879 66 HA ILE 8 HA ILE 8 16.905 5.743 2.057 67 HB ILE 8 HB ILE 8 15.844 5.348 4.868 68 HG12 ILE 8 HG12 ILE 8 14.755 7.112 3.373 69 HG13 ILE 8 HG11 ILE 8 15.451 7.711 4.875 70 HG21 ILE 8 HG21 ILE 8 18.405 6.556 3.804 71 HG22 ILE 8 HG22 ILE 8 18.231 5.258 4.986 72 HG23 ILE 8 HG23 ILE 8 17.786 6.911 5.418 73 HD11 ILE 8 HD11 ILE 8 16.062 9.136 2.932 74 HD12 ILE 8 HD12 ILE 8 16.849 7.749 2.185 75 HD13 ILE 8 HD13 ILE 8 17.477 8.409 3.690 76 H ILE 9 HN ILE 9 15.830 3.034 4.153 77 HA ILE 9 HA ILE 9 18.346 1.895 4.550 78 HB ILE 9 HB ILE 9 17.011 -0.304 4.742 79 HG12 ILE 9 HG12 ILE 9 14.499 1.028 5.163 80 HG13 ILE 9 HG11 ILE 9 15.060 1.403 3.535 81 HG21 ILE 9 HG21 ILE 9 17.514 0.659 6.799 82 HG22 ILE 9 HG22 ILE 9 15.755 0.786 6.821 83 HG23 ILE 9 HG23 ILE 9 16.737 2.188 6.389 84 HD11 ILE 9 HD11 ILE 9 14.933 -1.403 4.670 85 HD12 ILE 9 HD12 ILE 9 15.319 -0.951 3.013 86 HD13 ILE 9 HD13 ILE 9 13.693 -0.692 3.641 87 H HIS 10 HN HIS 10 16.081 1.528 1.934 88 HA HIS 10 HA HIS 10 17.260 -0.606 0.570 89 HB2 HIS 10 HB2 HIS 10 15.032 0.744 0.123 90 HB3 HIS 10 HB1 HIS 10 16.060 1.654 -0.984 91 HD2 HIS 10 HD2 HIS 10 16.902 0.223 -3.281 92 HE1 HIS 10 HE1 HIS 10 14.829 -3.345 -2.393 93 HE2 HIS 10 HE2 HIS 10 16.167 -2.120 -4.171 94 H HIS 11 HN HIS 11 18.131 2.820 0.639 95 HA HIS 11 HA HIS 11 19.908 2.675 -1.611 96 HB2 HIS 11 HB2 HIS 11 19.202 4.665 0.463 97 HB3 HIS 11 HB1 HIS 11 20.845 4.777 -0.164 98 HD2 HIS 11 HD2 HIS 11 17.196 4.629 -1.782 99 HE1 HIS 11 HE1 HIS 11 19.785 6.822 -4.305 100 HE2 HIS 11 HE2 HIS 11 17.383 6.031 -3.986 101 H VAL 12 HN VAL 12 20.225 2.541 1.868 102 HA VAL 12 HA VAL 12 23.016 2.285 1.997 103 HB VAL 12 HB VAL 12 21.396 0.932 4.054 104 HG11 VAL 12 HG11 VAL 12 23.685 1.478 4.540 105 HG12 VAL 12 HG12 VAL 12 22.690 2.607 5.465 106 HG13 VAL 12 HG13 VAL 12 23.465 3.135 3.969 107 HG21 VAL 12 HG21 VAL 12 20.912 3.801 3.226 108 HG22 VAL 12 HG22 VAL 12 20.594 3.242 4.866 109 HG23 VAL 12 HG23 VAL 12 19.728 2.532 3.511 110 H GLY 13 HN GLY 13 20.395 -0.076 2.028 111 HA2 GLY 13 HA2 GLY 13 21.979 -2.407 2.166 112 HA3 GLY 13 HA1 GLY 13 20.335 -2.331 1.555 113 H ASN 14 HN ASN 14 20.776 -0.504 -0.548 114 HA ASN 14 HA ASN 14 21.402 -2.178 -2.673 115 HB2 ASN 14 HB2 ASN 14 20.288 -0.378 -3.488 116 HB3 ASN 14 HB1 ASN 14 20.985 0.719 -2.303 117 HD21 ASN 14 HD21 ASN 14 21.952 -1.121 -5.256 118 HD22 ASN 14 HD22 ASN 14 23.055 0.052 -5.790 119 H PHE 15 HN PHE 15 23.564 -0.154 -0.750 120 HA PHE 15 HA PHE 15 25.757 -0.388 -2.592 121 HB2 PHE 15 HB2 PHE 15 25.352 0.752 0.133 122 HB3 PHE 15 HB1 PHE 15 26.993 0.270 -0.299 123 HD1 PHE 15 HD1 PHE 15 24.257 2.611 -0.968 124 HD2 PHE 15 HD2 PHE 15 28.137 1.281 -2.251 125 HE1 PHE 15 HE1 PHE 15 24.507 4.657 -2.347 126 HE2 PHE 15 HE2 PHE 15 28.388 3.328 -3.624 127 HZ PHE 15 HZ PHE 15 26.578 5.021 -3.672 128 H VAL 16 HN VAL 16 24.733 -1.938 0.383 129 HA VAL 16 HA VAL 16 26.935 -3.686 0.630 130 HB VAL 16 HB VAL 16 24.395 -4.625 1.728 131 HG11 VAL 16 HG11 VAL 16 26.971 -3.639 2.976 132 HG12 VAL 16 HG12 VAL 16 26.652 -5.307 2.495 133 HG13 VAL 16 HG13 VAL 16 25.722 -4.568 3.799 134 HG21 VAL 16 HG21 VAL 16 25.348 -1.805 2.303 135 HG22 VAL 16 HG22 VAL 16 24.218 -2.684 3.334 136 HG23 VAL 16 HG23 VAL 16 23.779 -2.287 1.676 137 H HIS 17 HN HIS 17 23.687 -3.973 -0.702 138 HA HIS 17 HA HIS 17 23.792 -6.668 -1.489 139 HB2 HIS 17 HB2 HIS 17 22.256 -4.262 -2.416 140 HB3 HIS 17 HB1 HIS 17 22.149 -5.767 -3.330 141 HD2 HIS 17 HD2 HIS 17 21.683 -8.038 -1.216 142 HE1 HIS 17 HE1 HIS 17 18.969 -5.490 0.774 143 HE2 HIS 17 HE2 HIS 17 19.762 -7.893 0.544 144 H GLY 18 HN GLY 18 24.766 -3.682 -3.131 145 HA2 GLY 18 HA2 GLY 18 25.513 -4.762 -5.609 146 HA3 GLY 18 HA1 GLY 18 26.229 -3.327 -4.884 147 H PHE 19 HN PHE 19 27.438 -4.232 -2.662 148 HA PHE 19 HA PHE 19 29.866 -5.310 -3.524 149 HB2 PHE 19 HB2 PHE 19 28.529 -4.980 -0.872 150 HB3 PHE 19 HB1 PHE 19 29.925 -6.049 -0.955 151 HD1 PHE 19 HD1 PHE 19 32.001 -5.062 -2.301 152 HD2 PHE 19 HD2 PHE 19 28.891 -2.725 -0.486 153 HE1 PHE 19 HE1 PHE 19 33.511 -3.097 -2.243 154 HE2 PHE 19 HE2 PHE 19 30.397 -0.763 -0.431 155 HZ PHE 19 HZ PHE 19 32.714 -0.941 -1.307 156 H SER 20 HN SER 20 27.118 -6.839 -1.955 157 HA SER 20 HA SER 20 28.096 -9.466 -1.871 158 HB2 SER 20 HB2 SER 20 25.181 -9.017 -2.265 159 HB3 SER 20 HB1 SER 20 26.008 -10.055 -1.110 160 HG SER 20 HG SER 20 25.841 -7.200 -1.047 161 H HIS 21 HN HIS 21 26.230 -7.766 -4.327 162 HA HIS 21 HA HIS 21 25.890 -10.038 -6.018 163 HB2 HIS 21 HB2 HIS 21 25.436 -7.105 -6.241 164 HB3 HIS 21 HB1 HIS 21 25.614 -8.000 -7.751 165 HD2 HIS 21 HD2 HIS 21 22.734 -7.033 -5.647 166 HE1 HIS 21 HE1 HIS 21 21.740 -10.925 -6.953 167 HE2 HIS 21 HE2 HIS 21 20.825 -8.804 -5.888 168 H VAL 22 HN VAL 22 28.154 -7.263 -6.160 169 HA VAL 22 HA VAL 22 29.507 -8.170 -8.478 170 HB VAL 22 HB VAL 22 30.696 -6.438 -6.299 171 HG11 VAL 22 HG11 VAL 22 31.320 -7.068 -9.149 172 HG12 VAL 22 HG12 VAL 22 32.414 -6.685 -7.819 173 HG13 VAL 22 HG13 VAL 22 31.538 -5.392 -8.641 174 HG21 VAL 22 HG21 VAL 22 29.187 -4.841 -6.753 175 HG22 VAL 22 HG22 VAL 22 28.313 -5.979 -7.774 176 HG23 VAL 22 HG23 VAL 22 29.556 -4.943 -8.472 177 H PHE 23 HN PHE 23 30.166 -8.589 -5.018 178 HA PHE 23 HA PHE 23 32.261 -10.555 -5.731 179 HB2 PHE 23 HB2 PHE 23 31.981 -9.103 -3.086 180 HB3 PHE 23 HB1 PHE 23 33.352 -10.050 -3.662 181 HD1 PHE 23 HD1 PHE 23 34.436 -9.259 -5.922 182 HD2 PHE 23 HD2 PHE 23 31.965 -6.799 -3.419 183 HE1 PHE 23 HE1 PHE 23 35.400 -7.232 -6.971 184 HE2 PHE 23 HE2 PHE 23 32.928 -4.766 -4.467 185 HZ PHE 23 HZ PHE 23 34.649 -4.981 -6.248 186 HN1 NH2 24 H1 PHE 23 29.545 -11.396 -5.740 187 HN2 NH2 24 H2 PHE 23 29.300 -12.431 -4.418 Start of MODEL 8 1 H1 VAL 1 HT1 VAL 1 6.510 10.368 7.914 2 H2 VAL 1 HT2 VAL 1 6.504 11.137 6.404 3 H3 VAL 1 HT3 VAL 1 7.881 10.299 6.919 4 HA VAL 1 HA VAL 1 5.486 8.704 6.876 5 HB VAL 1 HB VAL 1 5.651 8.435 4.363 6 HG11 VAL 1 HG11 VAL 1 4.122 10.211 3.932 7 HG12 VAL 1 HG12 VAL 1 4.853 11.247 5.157 8 HG13 VAL 1 HG13 VAL 1 3.917 9.832 5.642 9 HG21 VAL 1 HG21 VAL 1 7.109 9.675 3.131 10 HG22 VAL 1 HG22 VAL 1 7.907 10.036 4.661 11 HG23 VAL 1 HG23 VAL 1 6.710 11.153 4.010 12 H PHE 2 HN PHE 2 6.172 6.684 7.131 13 HA PHE 2 HA PHE 2 8.847 6.024 7.545 14 HB2 PHE 2 HB2 PHE 2 6.552 4.196 6.843 15 HB3 PHE 2 HB1 PHE 2 8.097 3.673 7.508 16 HD1 PHE 2 HD1 PHE 2 8.702 4.158 9.853 17 HD2 PHE 2 HD2 PHE 2 4.963 5.472 8.182 18 HE1 PHE 2 HE1 PHE 2 7.844 4.646 12.133 19 HE2 PHE 2 HE2 PHE 2 4.112 5.962 10.457 20 HZ PHE 2 HZ PHE 2 5.550 5.542 12.436 21 H GLN 3 HN GLN 3 6.878 5.697 4.658 22 HA GLN 3 HA GLN 3 8.481 4.075 3.102 23 HB2 GLN 3 HB2 GLN 3 7.630 5.690 1.173 24 HB3 GLN 3 HB1 GLN 3 6.541 4.575 1.992 25 HG2 GLN 3 HG2 GLN 3 6.936 7.341 3.092 26 HG3 GLN 3 HG1 GLN 3 5.859 7.092 1.724 27 HE21 GLN 3 HE21 GLN 3 3.933 5.696 2.084 28 HE22 GLN 3 HE22 GLN 3 3.380 5.396 3.660 29 H PHE 4 HN PHE 4 9.005 7.424 3.993 30 HA PHE 4 HA PHE 4 11.063 7.894 2.047 31 HB2 PHE 4 HB2 PHE 4 9.880 9.345 4.321 32 HB3 PHE 4 HB1 PHE 4 11.596 9.654 4.083 33 HD1 PHE 4 HD1 PHE 4 8.826 8.919 1.663 34 HD2 PHE 4 HD2 PHE 4 11.838 11.696 2.965 35 HE1 PHE 4 HE1 PHE 4 8.324 10.378 -0.278 36 HE2 PHE 4 HE2 PHE 4 11.323 13.148 1.027 37 HZ PHE 4 HZ PHE 4 9.577 12.491 -0.603 38 H LEU 5 HN LEU 5 11.079 7.219 5.532 39 HA LEU 5 HA LEU 5 13.880 6.962 5.785 40 HB2 LEU 5 HB2 LEU 5 12.307 5.225 7.559 41 HB3 LEU 5 HB1 LEU 5 13.434 6.516 7.965 42 HG LEU 5 HG LEU 5 10.567 6.909 7.058 43 HD11 LEU 5 HD11 LEU 5 10.610 6.047 9.306 44 HD12 LEU 5 HD12 LEU 5 10.294 7.777 9.401 45 HD13 LEU 5 HD13 LEU 5 11.902 7.154 9.762 46 HD21 LEU 5 HD21 LEU 5 12.859 8.690 7.168 47 HD22 LEU 5 HD22 LEU 5 11.574 9.250 8.236 48 HD23 LEU 5 HD23 LEU 5 11.246 8.994 6.522 49 H GLY 6 HN GLY 6 11.313 4.724 4.933 50 HA2 GLY 6 HA2 GLY 6 12.661 2.283 5.092 51 HA3 GLY 6 HA1 GLY 6 11.332 2.632 3.994 52 H LYS 7 HN LYS 7 12.458 4.551 2.300 53 HA LYS 7 HA LYS 7 14.088 2.852 0.690 54 HB2 LYS 7 HB2 LYS 7 14.315 4.945 -0.788 55 HB3 LYS 7 HB1 LYS 7 12.715 4.238 -0.611 56 HG2 LYS 7 HG2 LYS 7 12.269 6.515 -0.271 57 HG3 LYS 7 HG1 LYS 7 12.477 5.944 1.378 58 HD2 LYS 7 HD2 LYS 7 13.801 7.884 1.303 59 HD3 LYS 7 HD1 LYS 7 14.965 6.587 1.075 60 HE2 LYS 7 HE2 LYS 7 13.674 7.777 -1.352 61 HE3 LYS 7 HE1 LYS 7 14.946 8.692 -0.545 62 HZ1 LYS 7 HZ1 LYS 7 15.809 6.047 -0.743 63 HZ2 LYS 7 HZ2 LYS 7 16.429 7.410 -1.539 64 HZ3 LYS 7 HZ3 LYS 7 15.201 6.488 -2.262 65 H ILE 8 HN ILE 8 14.754 5.392 2.973 66 HA ILE 8 HA ILE 8 17.332 6.104 2.117 67 HB ILE 8 HB ILE 8 16.263 5.994 4.946 68 HG12 ILE 8 HG12 ILE 8 15.187 7.417 2.917 69 HG13 ILE 8 HG11 ILE 8 15.245 8.017 4.568 70 HG21 ILE 8 HG21 ILE 8 18.662 6.215 4.997 71 HG22 ILE 8 HG22 ILE 8 17.998 7.824 5.270 72 HG23 ILE 8 HG23 ILE 8 18.642 7.391 3.686 73 HD11 ILE 8 HD11 ILE 8 16.054 9.707 2.933 74 HD12 ILE 8 HD12 ILE 8 17.332 8.598 2.444 75 HD13 ILE 8 HD13 ILE 8 17.310 9.247 4.082 76 H ILE 9 HN ILE 9 16.412 3.733 4.644 77 HA ILE 9 HA ILE 9 19.020 2.757 5.067 78 HB ILE 9 HB ILE 9 17.739 0.647 5.855 79 HG12 ILE 9 HG12 ILE 9 15.305 2.190 6.217 80 HG13 ILE 9 HG11 ILE 9 15.648 1.952 4.510 81 HG21 ILE 9 HG21 ILE 9 16.995 3.278 7.150 82 HG22 ILE 9 HG22 ILE 9 18.608 2.576 7.261 83 HG23 ILE 9 HG23 ILE 9 17.227 1.720 7.941 84 HD11 ILE 9 HD11 ILE 9 14.281 0.112 5.558 85 HD12 ILE 9 HD12 ILE 9 15.688 -0.285 6.540 86 HD13 ILE 9 HD13 ILE 9 15.766 -0.442 4.784 87 H HIS 10 HN HIS 10 16.518 1.877 2.826 88 HA HIS 10 HA HIS 10 17.644 -0.491 1.797 89 HB2 HIS 10 HB2 HIS 10 15.268 0.644 1.453 90 HB3 HIS 10 HB1 HIS 10 16.054 1.316 0.024 91 HD2 HIS 10 HD2 HIS 10 15.145 -2.264 1.465 92 HE1 HIS 10 HE1 HIS 10 16.049 -2.655 -2.637 93 HE2 HIS 10 HE2 HIS 10 15.214 -3.884 -0.576 94 H HIS 11 HN HIS 11 18.202 2.921 1.048 95 HA HIS 11 HA HIS 11 19.624 2.432 -1.380 96 HB2 HIS 11 HB2 HIS 11 19.278 4.784 0.448 97 HB3 HIS 11 HB1 HIS 11 20.582 4.811 -0.736 98 HD2 HIS 11 HD2 HIS 11 17.351 2.988 -1.878 99 HE1 HIS 11 HE1 HIS 11 17.413 6.744 -3.799 100 HE2 HIS 11 HE2 HIS 11 16.256 4.483 -3.716 101 H VAL 12 HN VAL 12 20.509 2.847 1.991 102 HA VAL 12 HA VAL 12 23.307 2.697 1.634 103 HB VAL 12 HB VAL 12 22.288 1.674 4.160 104 HG11 VAL 12 HG11 VAL 12 23.668 4.285 3.524 105 HG12 VAL 12 HG12 VAL 12 24.531 2.749 3.659 106 HG13 VAL 12 HG13 VAL 12 23.682 3.412 5.057 107 HG21 VAL 12 HG21 VAL 12 21.222 4.307 3.110 108 HG22 VAL 12 HG22 VAL 12 21.215 3.860 4.817 109 HG23 VAL 12 HG23 VAL 12 20.290 2.917 3.657 110 H GLY 13 HN GLY 13 20.742 0.401 2.317 111 HA2 GLY 13 HA2 GLY 13 22.389 -1.909 2.588 112 HA3 GLY 13 HA1 GLY 13 20.665 -1.906 2.246 113 H ASN 14 HN ASN 14 20.763 -0.344 -0.105 114 HA ASN 14 HA ASN 14 21.027 -2.268 -2.088 115 HB2 ASN 14 HB2 ASN 14 19.759 -0.200 -2.394 116 HB3 ASN 14 HB1 ASN 14 21.249 0.734 -2.352 117 HD21 ASN 14 HD21 ASN 14 19.273 -1.386 -4.348 118 HD22 ASN 14 HD22 ASN 14 20.209 -1.235 -5.754 119 H PHE 15 HN PHE 15 23.489 -0.100 -0.771 120 HA PHE 15 HA PHE 15 25.355 -0.545 -2.903 121 HB2 PHE 15 HB2 PHE 15 25.396 0.783 -0.243 122 HB3 PHE 15 HB1 PHE 15 26.943 0.202 -0.858 123 HD1 PHE 15 HD1 PHE 15 28.153 1.558 -2.343 124 HD2 PHE 15 HD2 PHE 15 23.901 2.079 -2.009 125 HE1 PHE 15 HE1 PHE 15 28.275 3.497 -3.882 126 HE2 PHE 15 HE2 PHE 15 24.025 4.025 -3.550 127 HZ PHE 15 HZ PHE 15 26.213 4.730 -4.484 128 H VAL 16 HN VAL 16 24.641 -1.876 0.210 129 HA VAL 16 HA VAL 16 26.820 -3.675 0.369 130 HB VAL 16 HB VAL 16 24.241 -4.307 1.706 131 HG11 VAL 16 HG11 VAL 16 25.776 -4.524 3.643 132 HG12 VAL 16 HG12 VAL 16 27.104 -3.945 2.638 133 HG13 VAL 16 HG13 VAL 16 26.325 -5.485 2.269 134 HG21 VAL 16 HG21 VAL 16 25.794 -1.737 2.106 135 HG22 VAL 16 HG22 VAL 16 24.737 -2.407 3.350 136 HG23 VAL 16 HG23 VAL 16 24.071 -1.922 1.795 137 H HIS 17 HN HIS 17 23.455 -3.913 -0.629 138 HA HIS 17 HA HIS 17 23.445 -6.644 -1.319 139 HB2 HIS 17 HB2 HIS 17 21.769 -4.269 -2.022 140 HB3 HIS 17 HB1 HIS 17 21.623 -5.709 -3.028 141 HD2 HIS 17 HD2 HIS 17 21.047 -4.721 0.768 142 HE1 HIS 17 HE1 HIS 17 19.191 -8.442 0.011 143 HE2 HIS 17 HE2 HIS 17 19.517 -6.603 1.743 144 H GLY 18 HN GLY 18 24.166 -3.716 -3.205 145 HA2 GLY 18 HA2 GLY 18 24.673 -5.007 -5.677 146 HA3 GLY 18 HA1 GLY 18 25.323 -3.437 -5.187 147 H PHE 19 HN PHE 19 26.844 -3.953 -3.059 148 HA PHE 19 HA PHE 19 29.254 -4.925 -4.081 149 HB2 PHE 19 HB2 PHE 19 29.080 -3.471 -2.080 150 HB3 PHE 19 HB1 PHE 19 28.355 -4.805 -1.186 151 HD1 PHE 19 HD1 PHE 19 29.707 -6.941 -0.853 152 HD2 PHE 19 HD2 PHE 19 31.448 -3.301 -2.338 153 HE1 PHE 19 HE1 PHE 19 31.967 -7.787 -0.290 154 HE2 PHE 19 HE2 PHE 19 33.706 -4.150 -1.769 155 HZ PHE 19 HZ PHE 19 33.962 -6.392 -0.741 156 H SER 20 HN SER 20 26.855 -6.454 -2.015 157 HA SER 20 HA SER 20 28.111 -8.959 -1.774 158 HB2 SER 20 HB2 SER 20 25.129 -8.458 -1.790 159 HB3 SER 20 HB1 SER 20 25.983 -9.791 -1.019 160 HG SER 20 HG SER 20 26.164 -7.016 -0.384 161 H HIS 21 HN HIS 21 25.883 -7.648 -4.148 162 HA HIS 21 HA HIS 21 25.504 -10.061 -5.609 163 HB2 HIS 21 HB2 HIS 21 24.510 -7.429 -5.763 164 HB3 HIS 21 HB1 HIS 21 25.329 -7.713 -7.295 165 HD2 HIS 21 HD2 HIS 21 24.357 -10.134 -8.674 166 HE1 HIS 21 HE1 HIS 21 20.685 -10.146 -6.584 167 HE2 HIS 21 HE2 HIS 21 21.939 -11.129 -8.570 168 H VAL 22 HN VAL 22 27.658 -7.266 -6.061 169 HA VAL 22 HA VAL 22 28.942 -8.175 -8.387 170 HB VAL 22 HB VAL 22 30.022 -6.464 -6.130 171 HG11 VAL 22 HG11 VAL 22 31.708 -7.566 -7.750 172 HG12 VAL 22 HG12 VAL 22 31.787 -5.815 -7.550 173 HG13 VAL 22 HG13 VAL 22 31.013 -6.507 -8.980 174 HG21 VAL 22 HG21 VAL 22 29.316 -5.244 -8.719 175 HG22 VAL 22 HG22 VAL 22 28.918 -4.717 -7.082 176 HG23 VAL 22 HG23 VAL 22 27.937 -5.951 -7.874 177 H PHE 23 HN PHE 23 29.854 -8.574 -4.964 178 HA PHE 23 HA PHE 23 32.058 -10.317 -5.615 179 HB2 PHE 23 HB2 PHE 23 30.785 -9.294 -3.117 180 HB3 PHE 23 HB1 PHE 23 31.733 -10.776 -3.007 181 HD1 PHE 23 HD1 PHE 23 34.130 -10.783 -3.386 182 HD2 PHE 23 HD2 PHE 23 31.841 -7.176 -3.846 183 HE1 PHE 23 HE1 PHE 23 36.226 -9.458 -3.470 184 HE2 PHE 23 HE2 PHE 23 33.937 -5.855 -3.929 185 HZ PHE 23 HZ PHE 23 36.133 -6.995 -3.743 186 HN1 NH2 24 H1 PHE 23 28.644 -10.797 -5.119 187 HN2 NH2 24 H2 PHE 23 28.688 -12.496 -5.092 Start of MODEL 9 1 H1 VAL 1 HT1 VAL 1 6.238 9.256 6.855 2 H2 VAL 1 HT2 VAL 1 7.625 10.172 6.508 3 H3 VAL 1 HT3 VAL 1 6.368 10.842 7.429 4 HA VAL 1 HA VAL 1 8.148 10.260 8.889 5 HB VAL 1 HB VAL 1 6.062 8.073 9.164 6 HG11 VAL 1 HG11 VAL 1 6.297 8.739 11.588 7 HG12 VAL 1 HG12 VAL 1 7.608 9.817 11.111 8 HG13 VAL 1 HG13 VAL 1 7.772 8.074 10.886 9 HG21 VAL 1 HG21 VAL 1 5.718 11.024 9.164 10 HG22 VAL 1 HG22 VAL 1 4.969 10.165 10.508 11 HG23 VAL 1 HG23 VAL 1 4.543 9.753 8.849 12 H PHE 2 HN PHE 2 7.380 7.022 9.166 13 HA PHE 2 HA PHE 2 9.946 6.056 8.629 14 HB2 PHE 2 HB2 PHE 2 7.828 4.090 8.117 15 HB3 PHE 2 HB1 PHE 2 9.109 4.072 9.329 16 HD1 PHE 2 HD1 PHE 2 8.796 5.172 11.506 17 HD2 PHE 2 HD2 PHE 2 5.656 5.063 8.579 18 HE1 PHE 2 HE1 PHE 2 7.166 5.872 13.229 19 HE2 PHE 2 HE2 PHE 2 4.023 5.760 10.307 20 HZ PHE 2 HZ PHE 2 4.774 6.164 12.636 21 H GLN 3 HN GLN 3 7.228 6.605 6.552 22 HA GLN 3 HA GLN 3 7.960 5.078 4.309 23 HB2 GLN 3 HB2 GLN 3 6.662 7.805 4.150 24 HB3 GLN 3 HB1 GLN 3 6.446 6.428 3.067 25 HG2 GLN 3 HG2 GLN 3 4.559 6.109 4.318 26 HG3 GLN 3 HG1 GLN 3 5.684 5.283 5.390 27 HE21 GLN 3 HE21 GLN 3 3.162 7.200 5.732 28 HE22 GLN 3 HE22 GLN 3 3.673 8.207 6.999 29 H PHE 4 HN PHE 4 9.212 8.100 5.551 30 HA PHE 4 HA PHE 4 10.588 8.830 3.129 31 HB2 PHE 4 HB2 PHE 4 10.156 9.967 5.742 32 HB3 PHE 4 HB1 PHE 4 11.874 10.014 5.354 33 HD1 PHE 4 HD1 PHE 4 12.241 12.310 4.823 34 HD2 PHE 4 HD2 PHE 4 8.983 10.196 2.977 35 HE1 PHE 4 HE1 PHE 4 11.827 14.246 3.325 36 HE2 PHE 4 HE2 PHE 4 8.575 12.133 1.480 37 HZ PHE 4 HZ PHE 4 9.990 14.158 1.657 38 H LEU 5 HN LEU 5 11.373 7.156 6.101 39 HA LEU 5 HA LEU 5 14.147 6.855 5.564 40 HB2 LEU 5 HB2 LEU 5 12.756 4.853 7.254 41 HB3 LEU 5 HB1 LEU 5 14.256 5.729 7.551 42 HG LEU 5 HG LEU 5 11.469 6.939 7.709 43 HD11 LEU 5 HD11 LEU 5 11.763 6.917 10.102 44 HD12 LEU 5 HD12 LEU 5 13.420 6.341 9.947 45 HD13 LEU 5 HD13 LEU 5 12.078 5.281 9.521 46 HD21 LEU 5 HD21 LEU 5 12.826 8.793 8.864 47 HD22 LEU 5 HD22 LEU 5 13.006 8.672 7.118 48 HD23 LEU 5 HD23 LEU 5 14.255 8.026 8.178 49 H GLY 6 HN GLY 6 11.260 5.085 4.781 50 HA2 GLY 6 HA2 GLY 6 12.243 2.568 4.172 51 HA3 GLY 6 HA1 GLY 6 10.869 3.303 3.369 52 H LYS 7 HN LYS 7 12.111 5.390 1.934 53 HA LYS 7 HA LYS 7 13.289 3.876 -0.187 54 HB2 LYS 7 HB2 LYS 7 13.770 6.763 -0.327 55 HB3 LYS 7 HB1 LYS 7 12.975 5.694 -1.478 56 HG2 LYS 7 HG2 LYS 7 11.138 6.923 -0.850 57 HG3 LYS 7 HG1 LYS 7 11.077 5.722 0.439 58 HD2 LYS 7 HD2 LYS 7 11.315 7.369 1.934 59 HD3 LYS 7 HD1 LYS 7 12.923 7.691 1.292 60 HE2 LYS 7 HE2 LYS 7 10.319 8.920 0.329 61 HE3 LYS 7 HE1 LYS 7 11.595 9.739 1.228 62 HZ1 LYS 7 HZ1 LYS 7 13.047 8.883 -0.746 63 HZ2 LYS 7 HZ2 LYS 7 12.128 10.303 -0.905 64 HZ3 LYS 7 HZ3 LYS 7 11.564 8.844 -1.560 65 H ILE 8 HN ILE 8 14.462 5.811 2.450 66 HA ILE 8 HA ILE 8 17.125 6.160 1.591 67 HB ILE 8 HB ILE 8 16.033 5.937 4.408 68 HG12 ILE 8 HG12 ILE 8 15.064 7.705 2.803 69 HG13 ILE 8 HG11 ILE 8 15.692 8.273 4.345 70 HG21 ILE 8 HG21 ILE 8 18.059 7.394 4.901 71 HG22 ILE 8 HG22 ILE 8 18.643 6.986 3.288 72 HG23 ILE 8 HG23 ILE 8 18.420 5.717 4.493 73 HD11 ILE 8 HD11 ILE 8 17.665 8.125 2.134 74 HD12 ILE 8 HD12 ILE 8 17.455 9.357 3.380 75 HD13 ILE 8 HD13 ILE 8 16.410 9.353 1.963 76 H ILE 9 HN ILE 9 15.745 3.720 3.839 77 HA ILE 9 HA ILE 9 18.129 2.240 4.128 78 HB ILE 9 HB ILE 9 16.488 0.306 4.631 79 HG12 ILE 9 HG12 ILE 9 14.279 1.873 5.341 80 HG13 ILE 9 HG11 ILE 9 14.675 2.395 3.709 81 HG21 ILE 9 HG21 ILE 9 15.837 1.499 6.806 82 HG22 ILE 9 HG22 ILE 9 16.640 2.921 6.144 83 HG23 ILE 9 HG23 ILE 9 17.555 1.443 6.430 84 HD11 ILE 9 HD11 ILE 9 14.731 -0.025 3.023 85 HD12 ILE 9 HD12 ILE 9 13.144 0.542 3.536 86 HD13 ILE 9 HD13 ILE 9 14.124 -0.434 4.627 87 H HIS 10 HN HIS 10 15.598 2.176 1.781 88 HA HIS 10 HA HIS 10 16.124 -0.206 0.438 89 HB2 HIS 10 HB2 HIS 10 14.635 2.244 -0.056 90 HB3 HIS 10 HB1 HIS 10 15.330 1.595 -1.540 91 HD2 HIS 10 HD2 HIS 10 13.166 0.106 1.455 92 HE1 HIS 10 HE1 HIS 10 12.155 -1.879 -2.128 93 HE2 HIS 10 HE2 HIS 10 11.620 -1.681 0.351 94 H HIS 11 HN HIS 11 17.709 2.950 0.162 95 HA HIS 11 HA HIS 11 19.185 2.266 -2.205 96 HB2 HIS 11 HB2 HIS 11 19.216 4.508 -0.225 97 HB3 HIS 11 HB1 HIS 11 20.656 4.253 -1.213 98 HD2 HIS 11 HD2 HIS 11 16.906 5.324 -1.693 99 HE1 HIS 11 HE1 HIS 11 18.892 5.737 -5.395 100 HE2 HIS 11 HE2 HIS 11 16.715 6.177 -4.155 101 H VAL 12 HN VAL 12 19.798 2.305 1.247 102 HA VAL 12 HA VAL 12 22.487 1.534 1.213 103 HB VAL 12 HB VAL 12 20.817 0.503 3.405 104 HG11 VAL 12 HG11 VAL 12 23.240 0.717 3.600 105 HG12 VAL 12 HG12 VAL 12 22.467 1.865 4.700 106 HG13 VAL 12 HG13 VAL 12 23.145 2.424 3.171 107 HG21 VAL 12 HG21 VAL 12 20.818 3.442 2.645 108 HG22 VAL 12 HG22 VAL 12 20.343 2.837 4.232 109 HG23 VAL 12 HG23 VAL 12 19.416 2.386 2.808 110 H GLY 13 HN GLY 13 19.487 -0.251 1.026 111 HA2 GLY 13 HA2 GLY 13 20.458 -2.864 1.420 112 HA3 GLY 13 HA1 GLY 13 19.026 -2.448 0.482 113 H ASN 14 HN ASN 14 20.380 -0.758 -1.382 114 HA ASN 14 HA ASN 14 21.140 -2.652 -3.335 115 HB2 ASN 14 HB2 ASN 14 20.851 -0.906 -4.709 116 HB3 ASN 14 HB1 ASN 14 20.509 0.086 -3.292 117 HD21 ASN 14 HD21 ASN 14 22.292 1.378 -2.395 118 HD22 ASN 14 HD22 ASN 14 23.693 1.676 -3.319 119 H PHE 15 HN PHE 15 22.979 -0.850 -0.948 120 HA PHE 15 HA PHE 15 25.528 -1.186 -2.185 121 HB2 PHE 15 HB2 PHE 15 24.611 -0.515 0.603 122 HB3 PHE 15 HB1 PHE 15 26.305 -0.885 0.288 123 HD1 PHE 15 HD1 PHE 15 23.522 1.418 -0.566 124 HD2 PHE 15 HD2 PHE 15 27.729 0.637 -0.914 125 HE1 PHE 15 HE1 PHE 15 23.870 3.709 -1.445 126 HE2 PHE 15 HE2 PHE 15 28.074 2.930 -1.793 127 HZ PHE 15 HZ PHE 15 26.148 4.465 -2.062 128 H VAL 16 HN VAL 16 23.578 -2.926 0.096 129 HA VAL 16 HA VAL 16 25.400 -4.920 0.828 130 HB VAL 16 HB VAL 16 22.501 -5.542 0.588 131 HG11 VAL 16 HG11 VAL 16 24.622 -6.618 1.927 132 HG12 VAL 16 HG12 VAL 16 22.945 -6.806 2.434 133 HG13 VAL 16 HG13 VAL 16 23.951 -5.555 3.164 134 HG21 VAL 16 HG21 VAL 16 23.667 -3.280 2.242 135 HG22 VAL 16 HG22 VAL 16 22.139 -4.051 2.643 136 HG23 VAL 16 HG23 VAL 16 22.318 -3.201 1.118 137 H HIS 17 HN HIS 17 22.920 -4.782 -1.679 138 HA HIS 17 HA HIS 17 23.524 -7.308 -2.829 139 HB2 HIS 17 HB2 HIS 17 21.392 -6.115 -3.294 140 HB3 HIS 17 HB1 HIS 17 22.298 -4.874 -4.165 141 HD2 HIS 17 HD2 HIS 17 23.465 -5.779 -6.640 142 HE1 HIS 17 HE1 HIS 17 21.309 -9.408 -6.755 143 HE2 HIS 17 HE2 HIS 17 22.819 -7.857 -8.086 144 H GLY 18 HN GLY 18 24.556 -3.971 -3.464 145 HA2 GLY 18 HA2 GLY 18 26.186 -4.453 -5.702 146 HA3 GLY 18 HA1 GLY 18 26.431 -3.144 -4.543 147 H PHE 19 HN PHE 19 26.945 -4.427 -2.223 148 HA PHE 19 HA PHE 19 29.640 -5.175 -2.390 149 HB2 PHE 19 HB2 PHE 19 27.516 -5.295 -0.340 150 HB3 PHE 19 HB1 PHE 19 28.822 -6.457 -0.127 151 HD1 PHE 19 HD1 PHE 19 28.647 -2.895 -1.334 152 HD2 PHE 19 HD2 PHE 19 30.411 -5.709 1.394 153 HE1 PHE 19 HE1 PHE 19 30.096 -1.101 -0.415 154 HE2 PHE 19 HE2 PHE 19 31.851 -3.918 2.303 155 HZ PHE 19 HZ PHE 19 31.701 -1.615 1.408 156 H SER 20 HN SER 20 26.725 -7.135 -2.112 157 HA SER 20 HA SER 20 27.953 -9.654 -2.214 158 HB2 SER 20 HB2 SER 20 25.229 -8.959 -3.324 159 HB3 SER 20 HB1 SER 20 25.779 -10.528 -2.745 160 HG SER 20 HG SER 20 25.226 -8.154 -1.278 161 H HIS 21 HN HIS 21 26.812 -7.479 -4.713 162 HA HIS 21 HA HIS 21 27.260 -9.148 -6.945 163 HB2 HIS 21 HB2 HIS 21 26.365 -6.514 -6.519 164 HB3 HIS 21 HB1 HIS 21 27.800 -6.359 -7.527 165 HD2 HIS 21 HD2 HIS 21 24.828 -9.021 -7.731 166 HE1 HIS 21 HE1 HIS 21 25.489 -7.353 -11.556 167 HE2 HIS 21 HE2 HIS 21 24.113 -9.044 -10.244 168 H VAL 22 HN VAL 22 29.280 -6.621 -5.444 169 HA VAL 22 HA VAL 22 31.550 -7.084 -7.096 170 HB VAL 22 HB VAL 22 31.451 -5.914 -4.300 171 HG11 VAL 22 HG11 VAL 22 33.602 -6.442 -6.174 172 HG12 VAL 22 HG12 VAL 22 33.691 -5.797 -4.537 173 HG13 VAL 22 HG13 VAL 22 33.441 -4.707 -5.900 174 HG21 VAL 22 HG21 VAL 22 30.031 -4.934 -6.342 175 HG22 VAL 22 HG22 VAL 22 31.599 -4.274 -6.802 176 HG23 VAL 22 HG23 VAL 22 30.895 -3.867 -5.238 177 H PHE 23 HN PHE 23 30.513 -8.338 -3.952 178 HA PHE 23 HA PHE 23 32.872 -9.819 -3.378 179 HB2 PHE 23 HB2 PHE 23 30.059 -9.799 -2.372 180 HB3 PHE 23 HB1 PHE 23 31.026 -11.236 -2.053 181 HD1 PHE 23 HD1 PHE 23 31.947 -11.215 0.076 182 HD2 PHE 23 HD2 PHE 23 31.731 -7.535 -2.125 183 HE1 PHE 23 HE1 PHE 23 33.099 -10.040 1.931 184 HE2 PHE 23 HE2 PHE 23 32.879 -6.360 -0.272 185 HZ PHE 23 HZ PHE 23 33.569 -7.612 1.757 186 HN1 NH2 24 H1 PHE 23 29.743 -10.839 -4.855 187 HN2 NH2 24 H2 PHE 23 30.386 -12.230 -5.591 Start of MODEL 10 1 H1 VAL 1 HT1 VAL 1 8.173 10.689 9.378 2 H2 VAL 1 HT2 VAL 1 7.888 12.083 8.456 3 H3 VAL 1 HT3 VAL 1 9.285 11.154 8.197 4 HA VAL 1 HA VAL 1 6.546 10.120 7.789 5 HB VAL 1 HB VAL 1 8.511 11.179 5.727 6 HG11 VAL 1 HG11 VAL 1 7.340 9.678 4.463 7 HG12 VAL 1 HG12 VAL 1 6.115 10.943 4.462 8 HG13 VAL 1 HG13 VAL 1 5.996 9.604 5.603 9 HG21 VAL 1 HG21 VAL 1 6.307 12.703 5.417 10 HG22 VAL 1 HG22 VAL 1 7.635 13.166 6.475 11 HG23 VAL 1 HG23 VAL 1 6.196 12.404 7.149 12 H PHE 2 HN PHE 2 6.782 7.992 8.146 13 HA PHE 2 HA PHE 2 9.188 6.581 8.202 14 HB2 PHE 2 HB2 PHE 2 6.378 5.586 7.717 15 HB3 PHE 2 HB1 PHE 2 7.760 4.533 8.007 16 HD1 PHE 2 HD1 PHE 2 5.088 6.163 9.566 17 HD2 PHE 2 HD2 PHE 2 9.263 5.316 10.106 18 HE1 PHE 2 HE1 PHE 2 4.842 6.505 12.011 19 HE2 PHE 2 HE2 PHE 2 9.022 5.660 12.552 20 HZ PHE 2 HZ PHE 2 6.804 6.250 13.509 21 H GLN 3 HN GLN 3 6.973 7.193 5.552 22 HA GLN 3 HA GLN 3 7.943 5.414 3.645 23 HB2 GLN 3 HB2 GLN 3 6.518 7.993 3.584 24 HB3 GLN 3 HB1 GLN 3 7.442 7.629 2.127 25 HG2 GLN 3 HG2 GLN 3 5.855 5.380 3.237 26 HG3 GLN 3 HG1 GLN 3 4.920 6.715 2.567 27 HE21 GLN 3 HE21 GLN 3 7.286 4.196 1.757 28 HE22 GLN 3 HE22 GLN 3 7.121 4.347 0.074 29 H PHE 4 HN PHE 4 9.393 8.303 4.948 30 HA PHE 4 HA PHE 4 11.391 8.541 2.862 31 HB2 PHE 4 HB2 PHE 4 10.859 9.913 5.476 32 HB3 PHE 4 HB1 PHE 4 12.485 9.986 4.806 33 HD1 PHE 4 HD1 PHE 4 12.888 11.952 3.681 34 HD2 PHE 4 HD2 PHE 4 9.018 10.123 3.337 35 HE1 PHE 4 HE1 PHE 4 12.193 13.725 2.105 36 HE2 PHE 4 HE2 PHE 4 8.318 11.903 1.755 37 HZ PHE 4 HZ PHE 4 9.907 13.702 1.137 38 H LEU 5 HN LEU 5 11.192 7.313 6.154 39 HA LEU 5 HA LEU 5 13.899 6.480 6.340 40 HB2 LEU 5 HB2 LEU 5 11.761 5.100 7.901 41 HB3 LEU 5 HB1 LEU 5 13.344 5.678 8.430 42 HG LEU 5 HG LEU 5 10.950 7.434 7.759 43 HD11 LEU 5 HD11 LEU 5 12.151 7.415 10.466 44 HD12 LEU 5 HD12 LEU 5 11.260 5.961 10.015 45 HD13 LEU 5 HD13 LEU 5 10.455 7.532 9.978 46 HD21 LEU 5 HD21 LEU 5 13.765 7.994 7.907 47 HD22 LEU 5 HD22 LEU 5 12.948 8.800 9.244 48 HD23 LEU 5 HD23 LEU 5 12.438 9.102 7.585 49 H GLY 6 HN GLY 6 10.954 5.040 5.154 50 HA2 GLY 6 HA2 GLY 6 11.721 2.344 5.092 51 HA3 GLY 6 HA1 GLY 6 10.518 3.082 4.048 52 H LYS 7 HN LYS 7 12.089 4.868 2.574 53 HA LYS 7 HA LYS 7 13.277 3.050 0.737 54 HB2 LYS 7 HB2 LYS 7 14.036 5.202 -0.432 55 HB3 LYS 7 HB1 LYS 7 12.305 4.910 -0.294 56 HG2 LYS 7 HG2 LYS 7 12.415 7.117 0.400 57 HG3 LYS 7 HG1 LYS 7 12.567 6.301 1.948 58 HD2 LYS 7 HD2 LYS 7 14.378 7.686 2.126 59 HD3 LYS 7 HD1 LYS 7 15.157 6.352 1.286 60 HE2 LYS 7 HE2 LYS 7 15.671 8.545 0.247 61 HE3 LYS 7 HE1 LYS 7 14.819 7.473 -0.865 62 HZ1 LYS 7 HZ1 LYS 7 12.827 8.629 -0.536 63 HZ2 LYS 7 HZ2 LYS 7 14.000 9.841 -0.698 64 HZ3 LYS 7 HZ3 LYS 7 13.401 9.433 0.835 65 H ILE 8 HN ILE 8 14.484 5.020 3.318 66 HA ILE 8 HA ILE 8 17.154 5.298 2.606 67 HB ILE 8 HB ILE 8 15.921 4.884 5.341 68 HG12 ILE 8 HG12 ILE 8 15.437 6.947 3.814 69 HG13 ILE 8 HG11 ILE 8 15.878 7.223 5.497 70 HG21 ILE 8 HG21 ILE 8 18.223 4.261 5.581 71 HG22 ILE 8 HG22 ILE 8 18.094 5.923 6.151 72 HG23 ILE 8 HG23 ILE 8 18.760 5.590 4.552 73 HD11 ILE 8 HD11 ILE 8 18.172 7.691 4.878 74 HD12 ILE 8 HD12 ILE 8 17.109 8.686 3.882 75 HD13 ILE 8 HD13 ILE 8 17.850 7.237 3.202 76 H ILE 9 HN ILE 9 15.749 2.632 4.575 77 HA ILE 9 HA ILE 9 18.104 1.120 4.784 78 HB ILE 9 HB ILE 9 16.461 -0.863 4.973 79 HG12 ILE 9 HG12 ILE 9 14.313 1.138 5.421 80 HG13 ILE 9 HG11 ILE 9 14.724 0.823 3.737 81 HG21 ILE 9 HG21 ILE 9 17.353 0.140 6.959 82 HG22 ILE 9 HG22 ILE 9 15.612 0.043 7.193 83 HG23 ILE 9 HG23 ILE 9 16.356 1.580 6.759 84 HD11 ILE 9 HD11 ILE 9 13.046 -0.729 5.318 85 HD12 ILE 9 HD12 ILE 9 14.556 -1.639 5.291 86 HD13 ILE 9 HD13 ILE 9 13.755 -1.212 3.777 87 H HIS 10 HN HIS 10 15.642 1.231 2.354 88 HA HIS 10 HA HIS 10 16.513 -0.940 0.767 89 HB2 HIS 10 HB2 HIS 10 14.253 0.183 0.689 90 HB3 HIS 10 HB1 HIS 10 15.015 1.520 -0.159 91 HD2 HIS 10 HD2 HIS 10 16.642 -1.666 -1.420 92 HE1 HIS 10 HE1 HIS 10 13.398 -0.947 -4.032 93 HE2 HIS 10 HE2 HIS 10 15.522 -2.308 -3.693 94 H HIS 11 HN HIS 11 17.451 2.454 0.939 95 HA HIS 11 HA HIS 11 18.858 2.476 -1.562 96 HB2 HIS 11 HB2 HIS 11 18.591 4.295 0.784 97 HB3 HIS 11 HB1 HIS 11 20.032 4.487 -0.213 98 HD2 HIS 11 HD2 HIS 11 16.331 3.771 -1.493 99 HE1 HIS 11 HE1 HIS 11 17.797 7.266 -3.355 100 HE2 HIS 11 HE2 HIS 11 15.838 5.649 -3.239 101 H VAL 12 HN VAL 12 19.657 1.909 1.789 102 HA VAL 12 HA VAL 12 22.445 1.692 1.473 103 HB VAL 12 HB VAL 12 21.118 0.083 3.565 104 HG11 VAL 12 HG11 VAL 12 22.982 2.385 3.989 105 HG12 VAL 12 HG12 VAL 12 23.608 0.907 3.250 106 HG13 VAL 12 HG13 VAL 12 22.879 0.861 4.859 107 HG21 VAL 12 HG21 VAL 12 20.523 2.973 3.068 108 HG22 VAL 12 HG22 VAL 12 20.745 2.449 4.735 109 HG23 VAL 12 HG23 VAL 12 19.494 1.716 3.741 110 H GLY 13 HN GLY 13 19.853 -0.718 1.596 111 HA2 GLY 13 HA2 GLY 13 21.423 -3.025 1.299 112 HA3 GLY 13 HA1 GLY 13 19.748 -2.879 0.786 113 H ASN 14 HN ASN 14 19.956 -0.877 -1.084 114 HA ASN 14 HA ASN 14 20.653 -2.249 -3.417 115 HB2 ASN 14 HB2 ASN 14 19.146 -0.479 -3.713 116 HB3 ASN 14 HB1 ASN 14 20.136 0.649 -2.790 117 HD21 ASN 14 HD21 ASN 14 20.449 -1.380 -5.772 118 HD22 ASN 14 HD22 ASN 14 21.283 -0.193 -6.653 119 H PHE 15 HN PHE 15 22.585 -0.272 -1.247 120 HA PHE 15 HA PHE 15 24.765 0.082 -3.096 121 HB2 PHE 15 HB2 PHE 15 24.061 1.360 -0.798 122 HB3 PHE 15 HB1 PHE 15 25.291 0.257 -0.181 123 HD1 PHE 15 HD1 PHE 15 24.641 2.803 -2.838 124 HD2 PHE 15 HD2 PHE 15 27.600 0.666 -0.563 125 HE1 PHE 15 HE1 PHE 15 26.421 4.251 -3.792 126 HE2 PHE 15 HE2 PHE 15 29.375 2.113 -1.513 127 HZ PHE 15 HZ PHE 15 28.786 3.902 -3.129 128 H VAL 16 HN VAL 16 24.027 -1.865 -0.293 129 HA VAL 16 HA VAL 16 26.392 -3.352 -0.180 130 HB VAL 16 HB VAL 16 23.802 -4.579 0.631 131 HG11 VAL 16 HG11 VAL 16 25.130 -5.130 2.606 132 HG12 VAL 16 HG12 VAL 16 26.441 -4.092 2.038 133 HG13 VAL 16 HG13 VAL 16 26.029 -5.561 1.153 134 HG21 VAL 16 HG21 VAL 16 24.761 -1.869 1.409 135 HG22 VAL 16 HG22 VAL 16 24.266 -2.920 2.734 136 HG23 VAL 16 HG23 VAL 16 23.136 -2.542 1.444 137 H HIS 17 HN HIS 17 23.459 -3.703 -2.039 138 HA HIS 17 HA HIS 17 23.806 -6.324 -2.987 139 HB2 HIS 17 HB2 HIS 17 21.777 -4.884 -3.402 140 HB3 HIS 17 HB1 HIS 17 22.722 -4.001 -4.605 141 HD2 HIS 17 HD2 HIS 17 21.668 -5.045 -6.955 142 HE1 HIS 17 HE1 HIS 17 22.144 -9.136 -6.010 143 HE2 HIS 17 HE2 HIS 17 21.480 -7.500 -7.835 144 H GLY 18 HN GLY 18 25.100 -3.221 -4.082 145 HA2 GLY 18 HA2 GLY 18 26.462 -4.080 -6.382 146 HA3 GLY 18 HA1 GLY 18 26.950 -2.720 -5.371 147 H PHE 19 HN PHE 19 27.466 -3.972 -2.985 148 HA PHE 19 HA PHE 19 30.054 -5.068 -3.432 149 HB2 PHE 19 HB2 PHE 19 29.549 -3.804 -1.384 150 HB3 PHE 19 HB1 PHE 19 28.356 -5.017 -0.916 151 HD1 PHE 19 HD1 PHE 19 29.030 -6.949 0.309 152 HD2 PHE 19 HD2 PHE 19 31.952 -4.568 -1.744 153 HE1 PHE 19 HE1 PHE 19 30.854 -8.270 1.364 154 HE2 PHE 19 HE2 PHE 19 33.765 -5.882 -0.699 155 HZ PHE 19 HZ PHE 19 33.224 -7.732 0.852 156 H SER 20 HN SER 20 26.900 -6.352 -2.595 157 HA SER 20 HA SER 20 27.552 -9.011 -2.092 158 HB2 SER 20 HB2 SER 20 25.085 -8.135 -3.595 159 HB3 SER 20 HB1 SER 20 25.263 -9.532 -2.536 160 HG SER 20 HG SER 20 25.628 -6.838 -1.684 161 H HIS 21 HN HIS 21 26.989 -7.323 -5.108 162 HA HIS 21 HA HIS 21 27.122 -9.504 -6.881 163 HB2 HIS 21 HB2 HIS 21 26.486 -7.086 -7.415 164 HB3 HIS 21 HB1 HIS 21 28.216 -6.745 -7.465 165 HD2 HIS 21 HD2 HIS 21 26.072 -9.651 -9.190 166 HE1 HIS 21 HE1 HIS 21 28.761 -8.019 -12.003 167 HE2 HIS 21 HE2 HIS 21 26.958 -9.773 -11.644 168 H VAL 22 HN VAL 22 29.625 -7.447 -5.461 169 HA VAL 22 HA VAL 22 31.806 -8.695 -6.833 170 HB VAL 22 HB VAL 22 31.951 -7.235 -4.186 171 HG11 VAL 22 HG11 VAL 22 34.003 -8.332 -4.977 172 HG12 VAL 22 HG12 VAL 22 34.163 -6.581 -5.058 173 HG13 VAL 22 HG13 VAL 22 33.855 -7.503 -6.527 174 HG21 VAL 22 HG21 VAL 22 31.179 -6.238 -6.858 175 HG22 VAL 22 HG22 VAL 22 32.514 -5.354 -6.119 176 HG23 VAL 22 HG23 VAL 22 30.970 -5.486 -5.276 177 H PHE 23 HN PHE 23 30.259 -9.067 -3.676 178 HA PHE 23 HA PHE 23 31.991 -10.976 -2.566 179 HB2 PHE 23 HB2 PHE 23 30.103 -9.749 -1.395 180 HB3 PHE 23 HB1 PHE 23 28.998 -10.897 -2.151 181 HD1 PHE 23 HD1 PHE 23 28.969 -13.247 -1.504 182 HD2 PHE 23 HD2 PHE 23 31.723 -10.494 0.300 183 HE1 PHE 23 HE1 PHE 23 29.474 -14.913 0.265 184 HE2 PHE 23 HE2 PHE 23 32.229 -12.158 2.069 185 HZ PHE 23 HZ PHE 23 31.107 -14.368 2.052 186 HN1 NH2 24 H1 PHE 23 28.979 -11.534 -4.463 187 HN2 NH2 24 H2 PHE 23 29.377 -13.132 -4.889
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