NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614410 | 5u9s | 30213 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 7.312 17.383 0.921 2 H2 GLY 1 2HT GLY 1 5.980 16.863 1.839 3 H3 GLY 1 3HT GLY 1 5.860 18.258 0.877 4 HA2 GLY 1 2HA GLY 1 5.049 17.015 -0.749 5 HA3 GLY 1 1HA GLY 1 6.642 16.263 -0.853 6 H VAL 2 H VAL 2 6.328 15.307 1.989 7 HA VAL 2 HA VAL 2 5.520 12.691 1.513 8 HB VAL 2 HB VAL 2 5.276 12.536 4.014 9 HG11 VAL 2 1HG1 VAL 2 7.706 13.873 2.799 10 HG12 VAL 2 2HG1 VAL 2 7.448 12.149 3.066 11 HG13 VAL 2 3HG1 VAL 2 7.684 13.228 4.440 12 HG21 VAL 2 1HG2 VAL 2 4.422 14.896 4.258 13 HG22 VAL 2 2HG2 VAL 2 6.053 15.466 3.910 14 HG23 VAL 2 3HG2 VAL 2 5.746 14.501 5.354 15 H VAL 3 H VAL 3 3.615 15.510 2.290 16 HA VAL 3 HA VAL 3 1.274 14.441 3.272 17 HB VAL 3 HB VAL 3 1.312 16.569 1.129 18 HG11 VAL 3 1HG1 VAL 3 -0.362 16.283 3.639 19 HG12 VAL 3 2HG1 VAL 3 -0.869 15.682 2.060 20 HG13 VAL 3 3HG1 VAL 3 -0.617 17.410 2.307 21 HG21 VAL 3 1HG2 VAL 3 3.067 17.200 2.644 22 HG22 VAL 3 2HG2 VAL 3 2.113 16.719 4.047 23 HG23 VAL 3 3HG2 VAL 3 1.647 18.139 3.110 24 H ASP 4 H ASP 4 2.196 14.777 -0.156 25 HA ASP 4 HA ASP 4 -0.058 13.754 -1.370 26 HB2 ASP 4 2HB ASP 4 1.942 14.669 -2.549 27 HB3 ASP 4 1HB ASP 4 2.791 13.157 -2.199 28 H ILE 5 H ILE 5 2.280 12.085 0.575 29 HA ILE 5 HA ILE 5 1.620 9.450 -0.387 30 HB ILE 5 HB ILE 5 2.980 10.141 2.216 31 HG12 ILE 5 2HG1 ILE 5 4.214 9.792 -0.538 32 HG13 ILE 5 1HG1 ILE 5 4.054 11.337 0.311 33 HG21 ILE 5 1HG2 ILE 5 2.241 7.777 1.792 34 HG22 ILE 5 2HG2 ILE 5 3.990 7.949 1.949 35 HG23 ILE 5 3HG2 ILE 5 3.261 7.766 0.354 36 HD11 ILE 5 1HD1 ILE 5 5.714 8.938 1.119 37 HD12 ILE 5 2HD1 ILE 5 5.353 10.261 2.229 38 HD13 ILE 5 3HD1 ILE 5 6.275 10.571 0.759 39 H LEU 6 H LEU 6 0.439 11.593 2.083 40 HA LEU 6 HA LEU 6 -0.890 9.661 3.681 41 HB2 LEU 6 2HB LEU 6 -0.878 12.608 3.418 42 HB3 LEU 6 1HB LEU 6 -2.380 11.921 4.042 43 HG LEU 6 HG LEU 6 0.268 11.019 5.164 44 HD11 LEU 6 1HD1 LEU 6 -1.281 13.511 5.927 45 HD12 LEU 6 2HD1 LEU 6 0.375 13.440 5.324 46 HD13 LEU 6 3HD1 LEU 6 -0.012 12.790 6.918 47 HD21 LEU 6 1HD2 LEU 6 -2.545 11.287 6.279 48 HD22 LEU 6 2HD2 LEU 6 -1.156 10.685 7.181 49 HD23 LEU 6 3HD2 LEU 6 -1.762 9.784 5.793 50 H LYS 7 H LYS 7 -2.170 11.891 1.188 51 HA LYS 7 HA LYS 7 -4.762 10.861 1.141 52 HB2 LYS 7 2HB LYS 7 -4.420 11.697 -1.429 53 HB3 LYS 7 1HB LYS 7 -4.798 12.768 -0.087 54 HG2 LYS 7 2HG LYS 7 -1.930 12.087 -0.567 55 HG3 LYS 7 1HG LYS 7 -2.700 13.213 -1.680 56 HD2 LYS 7 2HD LYS 7 -2.762 13.528 1.337 57 HD3 LYS 7 1HD LYS 7 -1.584 14.322 0.294 58 HE2 LYS 7 2HE LYS 7 -3.127 16.002 0.222 59 HE3 LYS 7 1HE LYS 7 -3.933 14.978 -0.966 60 HZ1 LYS 7 1HZ LYS 7 -4.813 13.927 1.329 61 HZ2 LYS 7 2HZ LYS 7 -5.640 15.127 0.454 62 HZ3 LYS 7 3HZ LYS 7 -4.660 15.556 1.773 63 H GLY 8 H GLY 8 -1.817 9.782 -0.425 64 HA2 GLY 8 2HA GLY 8 -3.102 7.898 -2.175 65 HA3 GLY 8 1HA GLY 8 -1.379 7.988 -1.820 66 H ALA 9 H ALA 9 -1.695 7.808 1.050 67 HA ALA 9 HA ALA 9 -1.507 5.044 1.422 68 HB1 ALA 9 1HB ALA 9 -0.671 6.866 2.975 69 HB2 ALA 9 2HB ALA 9 -1.455 5.499 3.767 70 HB3 ALA 9 3HB ALA 9 -2.329 7.015 3.557 71 H ALA 10 H ALA 10 -4.285 7.166 1.476 72 HA ALA 10 HA ALA 10 -6.118 5.569 2.847 73 HB1 ALA 10 1HB ALA 10 -6.478 7.932 2.016 74 HB2 ALA 10 2HB ALA 10 -7.834 6.834 1.753 75 HB3 ALA 10 3HB ALA 10 -6.760 7.246 0.415 76 H LYS 11 H LYS 11 -5.437 5.683 -0.645 77 HA LYS 11 HA LYS 11 -7.063 3.377 -1.171 78 HB2 LYS 11 2HB LYS 11 -6.899 5.162 -2.800 79 HB3 LYS 11 1HB LYS 11 -5.178 4.875 -2.915 80 HG2 LYS 11 2HG LYS 11 -5.412 3.022 -4.218 81 HG3 LYS 11 1HG LYS 11 -6.834 2.479 -3.336 82 HD2 LYS 11 2HD LYS 11 -8.192 4.172 -4.419 83 HD3 LYS 11 1HD LYS 11 -6.777 4.748 -5.288 84 HE2 LYS 11 2HE LYS 11 -6.589 2.722 -6.542 85 HE3 LYS 11 1HE LYS 11 -7.735 1.891 -5.490 86 HZ1 LYS 11 1HZ LYS 11 -8.779 2.549 -7.559 87 HZ2 LYS 11 2HZ LYS 11 -8.362 4.173 -7.285 88 HZ3 LYS 11 3HZ LYS 11 -9.469 3.393 -6.258 89 H ASP 12 H ASP 12 -3.710 3.997 -0.518 90 HA ASP 12 HA ASP 12 -2.375 1.887 -1.660 91 HB2 ASP 12 2HB ASP 12 -1.232 3.470 -0.198 92 HB3 ASP 12 1HB ASP 12 -2.113 2.853 1.200 93 H ILE 13 H ILE 13 -5.095 1.744 0.141 94 HA ILE 13 HA ILE 13 -5.014 -0.517 1.749 95 HB ILE 13 HB ILE 13 -7.103 0.832 0.056 96 HG12 ILE 13 2HG1 ILE 13 -7.012 0.417 3.041 97 HG13 ILE 13 1HG1 ILE 13 -6.210 1.778 2.256 98 HG21 ILE 13 1HG2 ILE 13 -7.371 -1.731 1.605 99 HG22 ILE 13 2HG2 ILE 13 -7.927 -1.363 -0.028 100 HG23 ILE 13 3HG2 ILE 13 -8.749 -0.657 1.363 101 HD11 ILE 13 1HD1 ILE 13 -8.336 2.637 2.815 102 HD12 ILE 13 2HD1 ILE 13 -9.154 1.137 2.378 103 HD13 ILE 13 3HD1 ILE 13 -8.512 2.190 1.118 104 H ALA 14 H ALA 14 -5.997 -0.232 -1.651 105 HA ALA 14 HA ALA 14 -6.419 -2.937 -2.192 106 HB1 ALA 14 1HB ALA 14 -5.459 -0.713 -4.003 107 HB2 ALA 14 2HB ALA 14 -7.117 -1.271 -3.782 108 HB3 ALA 14 3HB ALA 14 -5.937 -2.310 -4.581 109 H GLY 15 H GLY 15 -3.448 -1.014 -2.504 110 HA2 GLY 15 2HA GLY 15 -1.850 -3.195 -3.446 111 HA3 GLY 15 1HA GLY 15 -1.255 -1.644 -2.866 112 H HIS 16 H HIS 16 -2.656 -1.888 -0.290 113 HA HIS 16 HA HIS 16 -0.609 -3.074 1.231 114 HB2 HIS 16 2HB HIS 16 -2.040 -1.376 2.195 115 HB3 HIS 16 1HB HIS 16 -3.462 -2.395 1.976 116 HD2 HIS 16 2HD HIS 16 -3.665 -4.573 3.819 117 HE1 HIS 16 1HE HIS 16 -0.441 -3.346 6.254 118 HE2 HIS 16 2HE HIS 16 -2.406 -4.946 6.077 119 H LEU 17 H LEU 17 -3.719 -4.326 0.108 120 HA LEU 17 HA LEU 17 -3.625 -6.745 1.580 121 HB2 LEU 17 2HB LEU 17 -5.575 -5.504 0.258 122 HB3 LEU 17 1HB LEU 17 -5.048 -6.587 -1.018 123 HG LEU 17 HG LEU 17 -6.807 -7.698 0.210 124 HD11 LEU 17 1HD1 LEU 17 -4.642 -8.946 -0.448 125 HD12 LEU 17 2HD1 LEU 17 -5.721 -9.733 0.702 126 HD13 LEU 17 3HD1 LEU 17 -4.265 -8.922 1.275 127 HD21 LEU 17 1HD2 LEU 17 -7.022 -7.706 2.500 128 HD22 LEU 17 2HD2 LEU 17 -6.073 -6.229 2.358 129 HD23 LEU 17 3HD2 LEU 17 -5.283 -7.748 2.775 130 H ALA 18 H ALA 18 -2.705 -5.868 -1.735 131 HA ALA 18 HA ALA 18 -1.945 -8.441 -2.591 132 HB1 ALA 18 1HB ALA 18 -0.783 -5.762 -3.403 133 HB2 ALA 18 2HB ALA 18 -2.196 -6.524 -4.131 134 HB3 ALA 18 3HB ALA 18 -0.608 -7.274 -4.292 135 H SER 19 H SER 19 0.115 -5.783 -1.390 136 HA SER 19 HA SER 19 2.500 -7.178 -1.227 137 HB2 SER 19 2HB SER 19 3.262 -5.326 -0.147 138 HB3 SER 19 1HB SER 19 1.671 -4.666 -0.506 139 HG SER 19 HG SER 19 2.765 -5.282 1.868 140 H LYS 20 H LYS 20 -0.252 -7.169 0.963 141 HA LYS 20 HA LYS 20 0.925 -8.582 3.100 142 HB2 LYS 20 2HB LYS 20 -1.712 -7.711 2.293 143 HB3 LYS 20 1HB LYS 20 -1.794 -9.342 2.942 144 HG2 LYS 20 2HG LYS 20 -0.523 -8.573 4.947 145 HG3 LYS 20 1HG LYS 20 -0.560 -6.930 4.305 146 HD2 LYS 20 2HD LYS 20 -2.928 -6.796 4.496 147 HD3 LYS 20 1HD LYS 20 -3.083 -8.537 4.735 148 HE2 LYS 20 2HE LYS 20 -1.829 -8.316 6.882 149 HE3 LYS 20 1HE LYS 20 -1.806 -6.567 6.654 150 HZ1 LYS 20 1HZ LYS 20 -4.363 -6.936 6.366 151 HZ2 LYS 20 2HZ LYS 20 -3.674 -6.805 7.914 152 HZ3 LYS 20 3HZ LYS 20 -4.061 -8.333 7.279 153 H VAL 21 H VAL 21 -1.040 -9.701 0.357 154 HA VAL 21 HA VAL 21 -0.640 -12.468 0.931 155 HB VAL 21 HB VAL 21 -1.554 -11.211 -1.655 156 HG11 VAL 21 1HG1 VAL 21 -1.849 -13.974 -0.442 157 HG12 VAL 21 2HG1 VAL 21 -0.927 -13.551 -1.885 158 HG13 VAL 21 3HG1 VAL 21 -2.687 -13.432 -1.896 159 HG21 VAL 21 1HG2 VAL 21 -2.843 -10.591 0.491 160 HG22 VAL 21 2HG2 VAL 21 -3.291 -12.294 0.574 161 HG23 VAL 21 3HG2 VAL 21 -3.781 -11.319 -0.812 162 H MET 22 H MET 22 0.811 -10.177 -1.329 163 HA MET 22 HA MET 22 2.378 -11.996 -2.781 164 HB2 MET 22 2HB MET 22 2.269 -9.117 -2.408 165 HB3 MET 22 1HB MET 22 3.919 -9.682 -2.634 166 HG2 MET 22 2HG MET 22 3.362 -10.733 -4.719 167 HG3 MET 22 1HG MET 22 1.630 -10.495 -4.445 168 HE1 MET 22 1HE MET 22 1.688 -9.771 -6.816 169 HE2 MET 22 2HE MET 22 1.634 -8.052 -7.197 170 HE3 MET 22 3HE MET 22 0.514 -8.718 -6.012 171 H ASN 23 H ASN 23 3.239 -10.048 0.070 172 HA ASN 23 HA ASN 23 5.827 -11.052 0.428 173 HB2 ASN 23 2HB ASN 23 4.715 -9.070 1.588 174 HB3 ASN 23 1HB ASN 23 4.030 -10.262 2.684 175 HD21 ASN 23 1HD2 ASN 23 5.455 -8.972 4.301 176 HD22 ASN 23 2HD2 ASN 23 7.068 -9.475 4.465 177 H LYS 24 H LYS 24 2.708 -12.237 1.599 178 HA LYS 24 HA LYS 24 3.721 -14.268 3.279 179 HB2 LYS 24 2HB LYS 24 1.391 -13.459 3.380 180 HB3 LYS 24 1HB LYS 24 1.083 -14.175 1.798 181 HG2 LYS 24 2HG LYS 24 1.297 -16.373 2.608 182 HG3 LYS 24 1HG LYS 24 2.178 -15.857 4.046 183 HD2 LYS 24 2HD LYS 24 0.214 -14.956 5.052 184 HD3 LYS 24 1HD LYS 24 -0.690 -15.046 3.540 185 HE2 LYS 24 2HE LYS 24 0.440 -17.541 4.801 186 HE3 LYS 24 1HE LYS 24 -1.109 -16.886 5.332 187 HZ1 LYS 24 1HZ LYS 24 -0.868 -18.577 3.310 188 HZ2 LYS 24 2HZ LYS 24 -0.721 -17.114 2.459 189 HZ3 LYS 24 3HZ LYS 24 -2.103 -17.419 3.399 190 H LEU 25 H LEU 25 3.119 -14.103 -0.165 191 HA LEU 25 HA LEU 25 3.246 -16.873 -0.705 192 HB2 LEU 25 2HB LEU 25 2.447 -14.848 -2.175 193 HB3 LEU 25 1HB LEU 25 4.134 -14.837 -2.685 194 HG LEU 25 HG LEU 25 2.896 -16.225 -4.232 195 HD11 LEU 25 1HD1 LEU 25 5.182 -16.968 -3.363 196 HD12 LEU 25 2HD1 LEU 25 4.193 -18.217 -4.118 197 HD13 LEU 25 3HD1 LEU 25 4.312 -18.130 -2.360 198 HD21 LEU 25 1HD2 LEU 25 1.300 -17.773 -3.643 199 HD22 LEU 25 2HD2 LEU 25 1.170 -16.741 -2.220 200 HD23 LEU 25 3HD2 LEU 25 2.125 -18.222 -2.151 201 HN1 NH2 26 HN1 NH2 26 5.749 -14.472 -1.663 202 HN2 NH2 26 HN2 NH2 26 7.066 -15.503 -1.332 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 3.143 18.778 -0.225 2 H2 GLY 1 2HT GLY 1 2.363 18.251 -1.639 3 H3 GLY 1 3HT GLY 1 3.582 19.432 -1.728 4 HA2 GLY 1 2HA GLY 1 4.217 17.084 -2.398 5 HA3 GLY 1 1HA GLY 1 5.276 17.918 -1.260 6 H VAL 2 H VAL 2 4.655 17.613 1.106 7 HA VAL 2 HA VAL 2 4.675 14.845 1.721 8 HB VAL 2 HB VAL 2 4.362 15.676 4.097 9 HG11 VAL 2 1HG1 VAL 2 6.583 15.359 2.996 10 HG12 VAL 2 2HG1 VAL 2 6.592 16.663 4.184 11 HG13 VAL 2 3HG1 VAL 2 6.524 17.039 2.462 12 HG21 VAL 2 1HG2 VAL 2 4.560 18.382 2.739 13 HG22 VAL 2 2HG2 VAL 2 4.425 18.075 4.471 14 HG23 VAL 2 3HG2 VAL 2 3.067 17.721 3.404 15 H VAL 3 H VAL 3 2.134 17.259 1.571 16 HA VAL 3 HA VAL 3 0.119 15.963 3.003 17 HB VAL 3 HB VAL 3 -0.255 17.579 0.471 18 HG11 VAL 3 1HG1 VAL 3 -2.381 18.218 1.706 19 HG12 VAL 3 2HG1 VAL 3 -2.007 16.935 2.857 20 HG13 VAL 3 3HG1 VAL 3 -2.309 16.540 1.165 21 HG21 VAL 3 1HG2 VAL 3 -0.036 18.518 3.351 22 HG22 VAL 3 2HG2 VAL 3 -0.336 19.538 1.943 23 HG23 VAL 3 3HG2 VAL 3 1.217 18.723 2.127 24 H ASP 4 H ASP 4 1.201 15.523 -0.332 25 HA ASP 4 HA ASP 4 -0.852 13.849 -1.241 26 HB2 ASP 4 2HB ASP 4 0.979 14.868 -2.637 27 HB3 ASP 4 1HB ASP 4 2.069 13.633 -1.994 28 H ILE 5 H ILE 5 1.737 13.253 0.981 29 HA ILE 5 HA ILE 5 1.811 10.412 0.721 30 HB ILE 5 HB ILE 5 2.588 12.056 3.134 31 HG12 ILE 5 2HG1 ILE 5 4.282 11.266 0.741 32 HG13 ILE 5 1HG1 ILE 5 3.619 12.886 0.999 33 HG21 ILE 5 1HG2 ILE 5 2.485 9.623 3.497 34 HG22 ILE 5 2HG2 ILE 5 4.160 10.176 3.498 35 HG23 ILE 5 3HG2 ILE 5 3.502 9.361 2.079 36 HD11 ILE 5 1HD1 ILE 5 5.563 11.415 2.804 37 HD12 ILE 5 2HD1 ILE 5 4.807 12.958 3.206 38 HD13 ILE 5 3HD1 ILE 5 5.904 12.845 1.829 39 H LEU 6 H LEU 6 -0.197 12.638 2.480 40 HA LEU 6 HA LEU 6 -1.229 10.786 4.379 41 HB2 LEU 6 2HB LEU 6 -1.891 13.529 3.448 42 HB3 LEU 6 1HB LEU 6 -3.212 12.617 4.183 43 HG LEU 6 HG LEU 6 -0.527 12.685 5.542 44 HD11 LEU 6 1HD1 LEU 6 -1.247 14.699 6.781 45 HD12 LEU 6 2HD1 LEU 6 -2.675 14.818 5.754 46 HD13 LEU 6 3HD1 LEU 6 -1.069 15.041 5.060 47 HD21 LEU 6 1HD2 LEU 6 -1.954 12.439 7.544 48 HD22 LEU 6 2HD2 LEU 6 -2.310 11.176 6.365 49 HD23 LEU 6 3HD2 LEU 6 -3.395 12.556 6.534 50 H LYS 7 H LYS 7 -2.651 12.120 1.374 51 HA LYS 7 HA LYS 7 -4.851 10.325 1.393 52 HB2 LYS 7 2HB LYS 7 -4.803 11.090 -1.154 53 HB3 LYS 7 1HB LYS 7 -5.362 12.165 0.119 54 HG2 LYS 7 2HG LYS 7 -2.438 12.155 -0.406 55 HG3 LYS 7 1HG LYS 7 -3.444 12.856 -1.670 56 HD2 LYS 7 2HD LYS 7 -3.595 13.642 1.257 57 HD3 LYS 7 1HD LYS 7 -2.685 14.530 0.037 58 HE2 LYS 7 2HE LYS 7 -5.120 14.337 -1.193 59 HE3 LYS 7 1HE LYS 7 -5.607 14.431 0.500 60 HZ1 LYS 7 1HZ LYS 7 -5.447 16.632 -0.243 61 HZ2 LYS 7 2HZ LYS 7 -3.970 16.357 -1.039 62 HZ3 LYS 7 3HZ LYS 7 -4.033 16.374 0.658 63 H GLY 8 H GLY 8 -1.628 10.243 0.022 64 HA2 GLY 8 2HA GLY 8 -1.901 8.187 -1.845 65 HA3 GLY 8 1HA GLY 8 -0.426 8.535 -0.947 66 H ALA 9 H ALA 9 -1.466 8.043 1.662 67 HA ALA 9 HA ALA 9 -0.962 5.311 1.955 68 HB1 ALA 9 1HB ALA 9 -1.697 5.568 4.240 69 HB2 ALA 9 2HB ALA 9 -2.597 7.028 3.832 70 HB3 ALA 9 3HB ALA 9 -0.834 7.034 3.771 71 H ALA 10 H ALA 10 -3.945 7.027 1.323 72 HA ALA 10 HA ALA 10 -5.820 5.085 2.046 73 HB1 ALA 10 1HB ALA 10 -7.353 6.223 0.609 74 HB2 ALA 10 2HB ALA 10 -6.045 6.878 -0.376 75 HB3 ALA 10 3HB ALA 10 -6.280 7.456 1.274 76 H LYS 11 H LYS 11 -4.172 5.574 -1.073 77 HA LYS 11 HA LYS 11 -5.320 3.243 -2.250 78 HB2 LYS 11 2HB LYS 11 -4.699 5.108 -3.634 79 HB3 LYS 11 1HB LYS 11 -3.039 4.942 -3.118 80 HG2 LYS 11 2HG LYS 11 -2.625 3.162 -4.480 81 HG3 LYS 11 1HG LYS 11 -4.223 2.478 -4.209 82 HD2 LYS 11 2HD LYS 11 -5.221 4.149 -5.656 83 HD3 LYS 11 1HD LYS 11 -3.639 4.867 -5.915 84 HE2 LYS 11 2HE LYS 11 -2.879 2.595 -6.788 85 HE3 LYS 11 1HE LYS 11 -4.581 2.132 -6.788 86 HZ1 LYS 11 1HZ LYS 11 -3.164 4.011 -8.508 87 HZ2 LYS 11 2HZ LYS 11 -4.750 4.430 -8.065 88 HZ3 LYS 11 3HZ LYS 11 -4.449 2.964 -8.870 89 H ASP 12 H ASP 12 -2.384 3.978 -0.508 90 HA ASP 12 HA ASP 12 -0.720 1.881 -1.179 91 HB2 ASP 12 2HB ASP 12 -0.180 3.653 0.494 92 HB3 ASP 12 1HB ASP 12 -1.249 2.851 1.642 93 H ILE 13 H ILE 13 -3.846 1.739 -0.039 94 HA ILE 13 HA ILE 13 -4.022 -0.490 1.604 95 HB ILE 13 HB ILE 13 -5.719 1.022 -0.294 96 HG12 ILE 13 2HG1 ILE 13 -5.320 1.156 2.339 97 HG13 ILE 13 1HG1 ILE 13 -6.884 1.538 1.624 98 HG21 ILE 13 1HG2 ILE 13 -6.318 -1.836 0.484 99 HG22 ILE 13 2HG2 ILE 13 -6.410 -1.087 -1.110 100 HG23 ILE 13 3HG2 ILE 13 -7.603 -0.684 0.121 101 HD11 ILE 13 1HD1 ILE 13 -7.778 -0.589 2.175 102 HD12 ILE 13 2HD1 ILE 13 -6.874 -0.101 3.608 103 HD13 ILE 13 3HD1 ILE 13 -6.179 -1.266 2.482 104 H ALA 14 H ALA 14 -4.422 -0.304 -1.888 105 HA ALA 14 HA ALA 14 -4.674 -3.005 -2.475 106 HB1 ALA 14 1HB ALA 14 -4.047 -2.451 -4.739 107 HB2 ALA 14 2HB ALA 14 -3.242 -0.975 -4.202 108 HB3 ALA 14 3HB ALA 14 -4.998 -1.115 -4.090 109 H GLY 15 H GLY 15 -1.731 -1.051 -2.182 110 HA2 GLY 15 2HA GLY 15 0.057 -3.187 -2.845 111 HA3 GLY 15 1HA GLY 15 0.499 -1.645 -2.121 112 H HIS 16 H HIS 16 -1.378 -1.981 0.124 113 HA HIS 16 HA HIS 16 0.383 -3.349 1.909 114 HB2 HIS 16 2HB HIS 16 -0.861 -1.458 2.727 115 HB3 HIS 16 1HB HIS 16 -2.393 -2.207 2.276 116 HD2 HIS 16 2HD HIS 16 -3.527 -3.619 4.353 117 HE1 HIS 16 1HE HIS 16 -0.043 -4.208 6.662 118 HE2 HIS 16 2HE HIS 16 -2.553 -4.581 6.577 119 H LEU 17 H LEU 17 -2.932 -4.053 0.762 120 HA LEU 17 HA LEU 17 -3.085 -6.553 2.095 121 HB2 LEU 17 2HB LEU 17 -5.180 -6.768 1.086 122 HB3 LEU 17 1HB LEU 17 -4.982 -5.030 1.219 123 HG LEU 17 HG LEU 17 -3.890 -5.330 -1.202 124 HD11 LEU 17 1HD1 LEU 17 -4.472 -7.201 -2.378 125 HD12 LEU 17 2HD1 LEU 17 -6.047 -7.327 -1.599 126 HD13 LEU 17 3HD1 LEU 17 -4.610 -7.938 -0.783 127 HD21 LEU 17 1HD2 LEU 17 -6.875 -5.334 -0.654 128 HD22 LEU 17 2HD2 LEU 17 -6.115 -4.805 -2.155 129 HD23 LEU 17 3HD2 LEU 17 -5.829 -3.913 -0.661 130 H ALA 18 H ALA 18 -1.903 -5.520 -1.035 131 HA ALA 18 HA ALA 18 -1.854 -8.061 -2.296 132 HB1 ALA 18 1HB ALA 18 -1.574 -6.108 -3.662 133 HB2 ALA 18 2HB ALA 18 -0.051 -6.995 -3.721 134 HB3 ALA 18 3HB ALA 18 -0.198 -5.561 -2.703 135 H SER 19 H SER 19 0.805 -6.226 -0.760 136 HA SER 19 HA SER 19 2.732 -8.212 -0.839 137 HB2 SER 19 2HB SER 19 3.939 -6.794 0.467 138 HB3 SER 19 1HB SER 19 2.586 -5.693 0.235 139 HG SER 19 HG SER 19 3.395 -6.409 2.490 140 H LYS 20 H LYS 20 0.059 -7.760 1.409 141 HA LYS 20 HA LYS 20 0.764 -9.701 3.314 142 HB2 LYS 20 2HB LYS 20 -1.523 -8.083 2.652 143 HB3 LYS 20 1HB LYS 20 -2.056 -9.712 3.038 144 HG2 LYS 20 2HG LYS 20 -0.104 -8.191 4.783 145 HG3 LYS 20 1HG LYS 20 -1.845 -8.103 5.012 146 HD2 LYS 20 2HD LYS 20 -1.770 -10.697 5.051 147 HD3 LYS 20 1HD LYS 20 -0.039 -10.495 5.316 148 HE2 LYS 20 2HE LYS 20 -0.663 -8.915 7.229 149 HE3 LYS 20 1HE LYS 20 -2.308 -9.525 7.059 150 HZ1 LYS 20 1HZ LYS 20 -0.594 -10.661 8.661 151 HZ2 LYS 20 2HZ LYS 20 -0.126 -11.467 7.241 152 HZ3 LYS 20 3HZ LYS 20 -1.728 -11.580 7.798 153 H VAL 21 H VAL 21 -1.350 -9.925 0.468 154 HA VAL 21 HA VAL 21 -1.664 -12.754 0.666 155 HB VAL 21 HB VAL 21 -2.196 -10.967 -1.705 156 HG11 VAL 21 1HG1 VAL 21 -3.851 -12.806 -2.206 157 HG12 VAL 21 2HG1 VAL 21 -3.116 -13.739 -0.901 158 HG13 VAL 21 3HG1 VAL 21 -2.162 -13.303 -2.320 159 HG21 VAL 21 1HG2 VAL 21 -4.204 -11.919 0.346 160 HG22 VAL 21 2HG2 VAL 21 -4.384 -10.632 -0.845 161 HG23 VAL 21 3HG2 VAL 21 -3.336 -10.398 0.553 162 H MET 22 H MET 22 0.326 -10.624 -1.330 163 HA MET 22 HA MET 22 1.429 -12.587 -3.004 164 HB2 MET 22 2HB MET 22 2.009 -9.825 -2.305 165 HB3 MET 22 1HB MET 22 3.472 -10.739 -2.643 166 HG2 MET 22 2HG MET 22 1.051 -10.771 -4.464 167 HG3 MET 22 1HG MET 22 2.391 -9.633 -4.664 168 HE1 MET 22 1HE MET 22 4.293 -10.269 -6.439 169 HE2 MET 22 2HE MET 22 5.350 -11.497 -5.748 170 HE3 MET 22 3HE MET 22 4.716 -10.212 -4.722 171 H ASN 23 H ASN 23 2.695 -11.238 0.037 172 HA ASN 23 HA ASN 23 4.987 -12.817 0.242 173 HB2 ASN 23 2HB ASN 23 4.354 -10.836 1.675 174 HB3 ASN 23 1HB ASN 23 3.319 -11.940 2.569 175 HD21 ASN 23 1HD2 ASN 23 6.713 -11.969 1.332 176 HD22 ASN 23 2HD2 ASN 23 7.373 -12.606 2.760 177 H LYS 24 H LYS 24 1.647 -13.514 1.100 178 HA LYS 24 HA LYS 24 2.108 -15.865 2.586 179 HB2 LYS 24 2HB LYS 24 -0.062 -14.514 2.368 180 HB3 LYS 24 1HB LYS 24 -0.316 -15.392 0.859 181 HG2 LYS 24 2HG LYS 24 -0.240 -17.525 2.030 182 HG3 LYS 24 1HG LYS 24 0.167 -16.717 3.543 183 HD2 LYS 24 2HD LYS 24 -2.193 -17.180 3.612 184 HD3 LYS 24 1HD LYS 24 -2.012 -15.446 3.346 185 HE2 LYS 24 2HE LYS 24 -2.613 -15.605 1.076 186 HE3 LYS 24 1HE LYS 24 -2.279 -17.335 1.012 187 HZ1 LYS 24 1HZ LYS 24 -4.171 -17.766 2.383 188 HZ2 LYS 24 2HZ LYS 24 -4.669 -16.792 1.083 189 HZ3 LYS 24 3HZ LYS 24 -4.448 -16.110 2.623 190 H LEU 25 H LEU 25 1.113 -15.487 -0.824 191 HA LEU 25 HA LEU 25 1.361 -18.202 -1.498 192 HB2 LEU 25 2HB LEU 25 0.222 -16.180 -2.717 193 HB3 LEU 25 1HB LEU 25 1.800 -16.039 -3.493 194 HG LEU 25 HG LEU 25 0.116 -18.556 -3.426 195 HD11 LEU 25 1HD1 LEU 25 -0.948 -16.988 -4.881 196 HD12 LEU 25 2HD1 LEU 25 -0.012 -18.059 -5.924 197 HD13 LEU 25 3HD1 LEU 25 0.596 -16.448 -5.540 198 HD21 LEU 25 1HD2 LEU 25 2.820 -17.849 -4.567 199 HD22 LEU 25 2HD2 LEU 25 1.853 -19.143 -5.272 200 HD23 LEU 25 3HD2 LEU 25 2.368 -19.247 -3.590 201 HN1 NH2 26 HN1 NH2 26 3.564 -15.574 -2.618 202 HN2 NH2 26 HN2 NH2 26 4.962 -16.553 -2.604 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 3.979 16.751 -1.994 2 H2 GLY 1 2HT GLY 1 4.221 18.427 -1.867 3 H3 GLY 1 3HT GLY 1 2.790 17.726 -1.276 4 HA2 GLY 1 2HA GLY 1 5.475 17.053 -0.213 5 HA3 GLY 1 1HA GLY 1 4.466 18.334 0.463 6 H VAL 2 H VAL 2 3.988 17.391 2.419 7 HA VAL 2 HA VAL 2 3.406 14.753 2.986 8 HB VAL 2 HB VAL 2 3.670 16.463 4.721 9 HG11 VAL 2 1HG1 VAL 2 0.905 17.413 3.924 10 HG12 VAL 2 2HG1 VAL 2 2.392 18.228 3.439 11 HG13 VAL 2 3HG1 VAL 2 1.965 18.116 5.146 12 HG21 VAL 2 1HG2 VAL 2 0.881 15.287 4.877 13 HG22 VAL 2 2HG2 VAL 2 1.964 15.658 6.218 14 HG23 VAL 2 3HG2 VAL 2 2.343 14.331 5.119 15 H VAL 3 H VAL 3 1.264 17.257 1.711 16 HA VAL 3 HA VAL 3 -1.188 15.946 1.940 17 HB VAL 3 HB VAL 3 -0.273 17.750 -0.313 18 HG11 VAL 3 1HG1 VAL 3 -2.353 16.610 -0.852 19 HG12 VAL 3 2HG1 VAL 3 -2.722 18.279 -0.420 20 HG13 VAL 3 3HG1 VAL 3 -3.013 16.984 0.741 21 HG21 VAL 3 1HG2 VAL 3 0.042 18.684 1.997 22 HG22 VAL 3 2HG2 VAL 3 -1.679 18.436 2.288 23 HG23 VAL 3 3HG2 VAL 3 -1.149 19.570 1.046 24 H ASP 4 H ASP 4 1.382 15.586 -0.439 25 HA ASP 4 HA ASP 4 -0.114 13.936 -2.236 26 HB2 ASP 4 2HB ASP 4 1.848 15.174 -3.001 27 HB3 ASP 4 1HB ASP 4 2.876 14.267 -1.883 28 H ILE 5 H ILE 5 2.041 13.333 0.495 29 HA ILE 5 HA ILE 5 2.127 10.492 0.126 30 HB ILE 5 HB ILE 5 2.721 12.120 2.606 31 HG12 ILE 5 2HG1 ILE 5 4.619 11.091 0.472 32 HG13 ILE 5 1HG1 ILE 5 4.030 12.757 0.543 33 HG21 ILE 5 1HG2 ILE 5 2.417 9.757 3.105 34 HG22 ILE 5 2HG2 ILE 5 4.140 10.131 3.155 35 HG23 ILE 5 3HG2 ILE 5 3.457 9.304 1.755 36 HD11 ILE 5 1HD1 ILE 5 5.022 13.057 2.748 37 HD12 ILE 5 2HD1 ILE 5 6.260 12.468 1.639 38 HD13 ILE 5 3HD1 ILE 5 5.513 11.364 2.793 39 H LEU 6 H LEU 6 0.012 12.718 1.735 40 HA LEU 6 HA LEU 6 -1.254 10.973 3.543 41 HB2 LEU 6 2HB LEU 6 -1.794 13.615 2.349 42 HB3 LEU 6 1HB LEU 6 -3.249 12.722 2.807 43 HG LEU 6 HG LEU 6 -0.930 12.924 4.727 44 HD11 LEU 6 1HD1 LEU 6 -1.348 15.228 4.171 45 HD12 LEU 6 2HD1 LEU 6 -2.153 14.914 5.708 46 HD13 LEU 6 3HD1 LEU 6 -3.094 14.982 4.217 47 HD21 LEU 6 1HD2 LEU 6 -3.940 12.662 5.045 48 HD22 LEU 6 2HD2 LEU 6 -2.777 12.697 6.370 49 HD23 LEU 6 3HD2 LEU 6 -2.769 11.357 5.224 50 H LYS 7 H LYS 7 -1.829 11.651 0.127 51 HA LYS 7 HA LYS 7 -4.183 9.995 -0.005 52 HB2 LYS 7 2HB LYS 7 -2.735 11.732 -1.883 53 HB3 LYS 7 1HB LYS 7 -3.300 10.239 -2.622 54 HG2 LYS 7 2HG LYS 7 -5.037 11.930 -2.792 55 HG3 LYS 7 1HG LYS 7 -5.569 10.671 -1.684 56 HD2 LYS 7 2HD LYS 7 -5.258 12.020 0.208 57 HD3 LYS 7 1HD LYS 7 -4.130 13.093 -0.621 58 HE2 LYS 7 2HE LYS 7 -6.437 14.071 -0.231 59 HE3 LYS 7 1HE LYS 7 -5.900 14.088 -1.910 60 HZ1 LYS 7 1HZ LYS 7 -7.897 13.136 -2.237 61 HZ2 LYS 7 2HZ LYS 7 -8.011 12.538 -0.651 62 HZ3 LYS 7 3HZ LYS 7 -7.077 11.715 -1.808 63 H GLY 8 H GLY 8 -0.744 9.514 -0.443 64 HA2 GLY 8 2HA GLY 8 -0.839 7.083 -1.884 65 HA3 GLY 8 1HA GLY 8 0.500 7.631 -0.880 66 H ALA 9 H ALA 9 -0.440 7.691 1.616 67 HA ALA 9 HA ALA 9 -0.493 4.989 2.405 68 HB1 ALA 9 1HB ALA 9 -1.137 5.933 4.657 69 HB2 ALA 9 2HB ALA 9 -1.203 7.522 3.892 70 HB3 ALA 9 3HB ALA 9 0.320 6.632 3.951 71 H ALA 10 H ALA 10 -3.078 7.342 1.912 72 HA ALA 10 HA ALA 10 -5.190 5.902 3.056 73 HB1 ALA 10 1HB ALA 10 -6.613 7.169 1.375 74 HB2 ALA 10 2HB ALA 10 -5.112 7.835 0.734 75 HB3 ALA 10 3HB ALA 10 -5.582 8.167 2.401 76 H LYS 11 H LYS 11 -4.063 5.947 -0.322 77 HA LYS 11 HA LYS 11 -5.766 3.755 -1.058 78 HB2 LYS 11 2HB LYS 11 -5.263 5.522 -2.645 79 HB3 LYS 11 1HB LYS 11 -3.569 5.099 -2.544 80 HG2 LYS 11 2HG LYS 11 -3.785 3.261 -3.874 81 HG3 LYS 11 1HG LYS 11 -5.344 2.837 -3.180 82 HD2 LYS 11 2HD LYS 11 -6.418 4.626 -4.416 83 HD3 LYS 11 1HD LYS 11 -4.864 5.081 -5.100 84 HE2 LYS 11 2HE LYS 11 -4.667 2.884 -6.185 85 HE3 LYS 11 1HE LYS 11 -6.203 2.390 -5.474 86 HZ1 LYS 11 1HZ LYS 11 -6.234 4.877 -6.974 87 HZ2 LYS 11 2HZ LYS 11 -7.377 3.620 -6.925 88 HZ3 LYS 11 3HZ LYS 11 -5.987 3.471 -7.891 89 H ASP 12 H ASP 12 -2.507 4.152 0.046 90 HA ASP 12 HA ASP 12 -1.157 1.963 -0.915 91 HB2 ASP 12 2HB ASP 12 -0.154 3.483 0.724 92 HB3 ASP 12 1HB ASP 12 -1.247 2.883 1.971 93 H ILE 13 H ILE 13 -4.100 2.012 0.512 94 HA ILE 13 HA ILE 13 -4.390 -0.267 2.073 95 HB ILE 13 HB ILE 13 -6.146 1.237 0.146 96 HG12 ILE 13 2HG1 ILE 13 -6.466 0.809 3.112 97 HG13 ILE 13 1HG1 ILE 13 -5.477 2.113 2.453 98 HG21 ILE 13 1HG2 ILE 13 -7.098 -0.897 -0.067 99 HG22 ILE 13 2HG2 ILE 13 -8.044 -0.138 1.214 100 HG23 ILE 13 3HG2 ILE 13 -6.784 -1.305 1.620 101 HD11 ILE 13 1HD1 ILE 13 -7.577 2.694 1.037 102 HD12 ILE 13 2HD1 ILE 13 -7.596 3.114 2.749 103 HD13 ILE 13 3HD1 ILE 13 -8.449 1.678 2.185 104 H ALA 14 H ALA 14 -4.890 0.130 -1.423 105 HA ALA 14 HA ALA 14 -5.397 -2.551 -2.055 106 HB1 ALA 14 1HB ALA 14 -5.858 -0.884 -3.704 107 HB2 ALA 14 2HB ALA 14 -4.571 -1.892 -4.364 108 HB3 ALA 14 3HB ALA 14 -4.190 -0.310 -3.685 109 H GLY 15 H GLY 15 -2.370 -0.811 -1.631 110 HA2 GLY 15 2HA GLY 15 -0.681 -2.885 -2.652 111 HA3 GLY 15 1HA GLY 15 -0.168 -1.505 -1.686 112 H HIS 16 H HIS 16 -1.886 -1.991 0.548 113 HA HIS 16 HA HIS 16 -0.277 -3.653 2.122 114 HB2 HIS 16 2HB HIS 16 -1.676 -2.003 3.171 115 HB3 HIS 16 1HB HIS 16 -3.134 -2.731 2.494 116 HD2 HIS 16 2HD HIS 16 -4.151 -4.895 3.952 117 HE1 HIS 16 1HE HIS 16 -1.068 -5.073 6.832 118 HE2 HIS 16 2HE HIS 16 -3.348 -5.985 6.186 119 H LEU 17 H LEU 17 -3.261 -4.333 0.341 120 HA LEU 17 HA LEU 17 -3.640 -6.957 1.323 121 HB2 LEU 17 2HB LEU 17 -5.141 -5.233 -0.084 122 HB3 LEU 17 1HB LEU 17 -4.549 -6.242 -1.394 123 HG LEU 17 HG LEU 17 -5.970 -7.224 1.091 124 HD11 LEU 17 1HD1 LEU 17 -7.808 -7.721 -0.402 125 HD12 LEU 17 2HD1 LEU 17 -6.855 -7.239 -1.806 126 HD13 LEU 17 3HD1 LEU 17 -7.363 -6.029 -0.627 127 HD21 LEU 17 1HD2 LEU 17 -5.988 -9.376 -0.383 128 HD22 LEU 17 2HD2 LEU 17 -4.510 -8.969 0.486 129 HD23 LEU 17 3HD2 LEU 17 -4.646 -8.613 -1.237 130 H ALA 18 H ALA 18 -1.852 -5.595 -1.394 131 HA ALA 18 HA ALA 18 -1.287 -8.009 -2.745 132 HB1 ALA 18 1HB ALA 18 0.556 -6.776 -3.786 133 HB2 ALA 18 2HB ALA 18 0.413 -5.507 -2.569 134 HB3 ALA 18 3HB ALA 18 -0.891 -5.770 -3.727 135 H SER 19 H SER 19 0.782 -6.151 -0.499 136 HA SER 19 HA SER 19 2.832 -7.991 -0.246 137 HB2 SER 19 2HB SER 19 3.564 -6.629 1.423 138 HB3 SER 19 1HB SER 19 2.219 -5.599 0.945 139 HG SER 19 HG SER 19 2.559 -7.174 3.178 140 H LYS 20 H LYS 20 -0.353 -7.965 1.207 141 HA LYS 20 HA LYS 20 0.054 -10.039 3.088 142 HB2 LYS 20 2HB LYS 20 -2.147 -8.464 2.057 143 HB3 LYS 20 1HB LYS 20 -2.632 -10.144 2.229 144 HG2 LYS 20 2HG LYS 20 -1.765 -10.123 4.568 145 HG3 LYS 20 1HG LYS 20 -1.388 -8.410 4.383 146 HD2 LYS 20 2HD LYS 20 -3.709 -7.851 4.070 147 HD3 LYS 20 1HD LYS 20 -4.160 -9.554 3.965 148 HE2 LYS 20 2HE LYS 20 -3.300 -9.841 6.319 149 HE3 LYS 20 1HE LYS 20 -3.107 -8.091 6.399 150 HZ1 LYS 20 1HZ LYS 20 -5.427 -7.791 6.044 151 HZ2 LYS 20 2HZ LYS 20 -5.247 -8.921 7.300 152 HZ3 LYS 20 3HZ LYS 20 -5.663 -9.441 5.737 153 H VAL 21 H VAL 21 -1.330 -10.029 -0.187 154 HA VAL 21 HA VAL 21 -1.536 -12.872 -0.336 155 HB VAL 21 HB VAL 21 -1.571 -10.858 -2.583 156 HG11 VAL 21 1HG1 VAL 21 -1.250 -13.088 -3.423 157 HG12 VAL 21 2HG1 VAL 21 -2.957 -12.702 -3.641 158 HG13 VAL 21 3HG1 VAL 21 -2.451 -13.743 -2.310 159 HG21 VAL 21 1HG2 VAL 21 -3.924 -10.707 -2.274 160 HG22 VAL 21 2HG2 VAL 21 -3.264 -10.579 -0.645 161 HG23 VAL 21 3HG2 VAL 21 -3.955 -12.103 -1.198 162 H MET 22 H MET 22 0.805 -10.493 -1.468 163 HA MET 22 HA MET 22 2.367 -12.213 -3.051 164 HB2 MET 22 2HB MET 22 2.632 -9.556 -1.901 165 HB3 MET 22 1HB MET 22 4.173 -10.401 -1.956 166 HG2 MET 22 2HG MET 22 2.295 -10.215 -4.327 167 HG3 MET 22 1HG MET 22 3.613 -9.070 -4.040 168 HE1 MET 22 1HE MET 22 3.388 -10.570 -6.671 169 HE2 MET 22 2HE MET 22 5.030 -11.144 -6.947 170 HE3 MET 22 3HE MET 22 4.768 -9.536 -6.275 171 H ASN 23 H ASN 23 2.810 -11.233 0.346 172 HA ASN 23 HA ASN 23 5.014 -12.883 0.887 173 HB2 ASN 23 2HB ASN 23 4.025 -10.975 2.295 174 HB3 ASN 23 1HB ASN 23 2.940 -12.204 2.928 175 HD21 ASN 23 1HD2 ASN 23 6.191 -10.970 3.069 176 HD22 ASN 23 2HD2 ASN 23 6.784 -12.102 4.187 177 H LYS 24 H LYS 24 1.557 -13.510 0.948 178 HA LYS 24 HA LYS 24 1.572 -15.956 2.325 179 HB2 LYS 24 2HB LYS 24 -0.480 -14.682 1.771 180 HB3 LYS 24 1HB LYS 24 -0.265 -15.106 0.073 181 HG2 LYS 24 2HG LYS 24 -0.469 -17.479 0.592 182 HG3 LYS 24 1HG LYS 24 -0.553 -17.122 2.318 183 HD2 LYS 24 2HD LYS 24 -2.666 -16.017 2.079 184 HD3 LYS 24 1HD LYS 24 -2.536 -16.015 0.320 185 HE2 LYS 24 2HE LYS 24 -4.066 -17.794 1.094 186 HE3 LYS 24 1HE LYS 24 -2.645 -18.477 0.301 187 HZ1 LYS 24 1HZ LYS 24 -1.662 -18.926 2.416 188 HZ2 LYS 24 2HZ LYS 24 -3.229 -19.581 2.415 189 HZ3 LYS 24 3HZ LYS 24 -2.914 -18.128 3.236 190 H LEU 25 H LEU 25 2.267 -15.165 -1.030 191 HA LEU 25 HA LEU 25 2.220 -17.788 -2.061 192 HB2 LEU 25 2HB LEU 25 2.318 -15.440 -3.241 193 HB3 LEU 25 1HB LEU 25 4.056 -15.711 -3.142 194 HG LEU 25 HG LEU 25 3.294 -16.560 -5.274 195 HD11 LEU 25 1HD1 LEU 25 4.140 -18.781 -5.160 196 HD12 LEU 25 2HD1 LEU 25 3.613 -18.979 -3.491 197 HD13 LEU 25 3HD1 LEU 25 4.956 -17.899 -3.871 198 HD21 LEU 25 1HD2 LEU 25 1.383 -17.799 -5.604 199 HD22 LEU 25 2HD2 LEU 25 0.888 -16.980 -4.125 200 HD23 LEU 25 3HD2 LEU 25 1.516 -18.625 -4.054 201 HN1 NH2 26 HN1 NH2 26 5.203 -15.835 -1.543 202 HN2 NH2 26 HN2 NH2 26 6.149 -17.161 -1.036 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 6.343 18.177 0.104 2 H2 GLY 1 2HT GLY 1 6.030 16.509 0.001 3 H3 GLY 1 3HT GLY 1 6.150 17.262 1.520 4 HA2 GLY 1 2HA GLY 1 4.157 18.522 1.126 5 HA3 GLY 1 1HA GLY 1 4.052 17.844 -0.499 6 H VAL 2 H VAL 2 4.256 16.847 2.917 7 HA VAL 2 HA VAL 2 3.530 14.199 2.717 8 HB VAL 2 HB VAL 2 2.491 14.500 4.991 9 HG11 VAL 2 1HG1 VAL 2 4.917 14.098 4.673 10 HG12 VAL 2 2HG1 VAL 2 4.611 15.138 6.063 11 HG13 VAL 2 3HG1 VAL 2 5.180 15.837 4.548 12 HG21 VAL 2 1HG2 VAL 2 2.675 16.743 6.012 13 HG22 VAL 2 2HG2 VAL 2 1.605 16.778 4.610 14 HG23 VAL 2 3HG2 VAL 2 3.251 17.395 4.478 15 H VAL 3 H VAL 3 1.522 17.041 2.351 16 HA VAL 3 HA VAL 3 -1.021 15.935 2.658 17 HB VAL 3 HB VAL 3 -0.149 18.069 0.695 18 HG11 VAL 3 1HG1 VAL 3 -2.352 17.340 0.112 19 HG12 VAL 3 2HG1 VAL 3 -2.563 18.808 1.067 20 HG13 VAL 3 3HG1 VAL 3 -2.835 17.230 1.805 21 HG21 VAL 3 1HG2 VAL 3 0.508 18.685 2.943 22 HG22 VAL 3 2HG2 VAL 3 -1.051 18.173 3.588 23 HG23 VAL 3 3HG2 VAL 3 -0.952 19.591 2.544 24 H ASP 4 H ASP 4 1.156 15.917 -0.126 25 HA ASP 4 HA ASP 4 -0.723 14.712 -1.919 26 HB2 ASP 4 2HB ASP 4 1.283 16.055 -2.622 27 HB3 ASP 4 1HB ASP 4 2.296 14.697 -2.114 28 H ILE 5 H ILE 5 1.910 13.501 0.121 29 HA ILE 5 HA ILE 5 1.730 10.800 -0.754 30 HB ILE 5 HB ILE 5 2.762 11.797 1.907 31 HG12 ILE 5 2HG1 ILE 5 4.227 11.511 -0.740 32 HG13 ILE 5 1HG1 ILE 5 3.750 13.050 -0.009 33 HG21 ILE 5 1HG2 ILE 5 2.466 9.335 1.638 34 HG22 ILE 5 2HG2 ILE 5 4.162 9.793 1.794 35 HG23 ILE 5 3HG2 ILE 5 3.498 9.391 0.210 36 HD11 ILE 5 1HD1 ILE 5 5.720 11.020 1.068 37 HD12 ILE 5 2HD1 ILE 5 5.070 12.331 2.051 38 HD13 ILE 5 3HD1 ILE 5 6.033 12.696 0.620 39 H LEU 6 H LEU 6 0.020 12.701 1.588 40 HA LEU 6 HA LEU 6 -1.033 10.667 3.214 41 HB2 LEU 6 2HB LEU 6 -1.616 13.495 2.646 42 HB3 LEU 6 1HB LEU 6 -3.039 12.563 3.125 43 HG LEU 6 HG LEU 6 -0.469 12.340 4.690 44 HD11 LEU 6 1HD1 LEU 6 -2.617 14.462 4.947 45 HD12 LEU 6 2HD1 LEU 6 -0.895 14.716 4.657 46 HD13 LEU 6 3HD1 LEU 6 -1.446 14.098 6.214 47 HD21 LEU 6 1HD2 LEU 6 -1.887 11.529 6.412 48 HD22 LEU 6 2HD2 LEU 6 -2.537 10.799 4.944 49 HD23 LEU 6 3HD2 LEU 6 -3.330 12.203 5.656 50 H LYS 7 H LYS 7 -2.285 12.123 0.224 51 HA LYS 7 HA LYS 7 -4.646 10.531 0.147 52 HB2 LYS 7 2HB LYS 7 -3.414 12.528 -1.610 53 HB3 LYS 7 1HB LYS 7 -4.119 11.192 -2.510 54 HG2 LYS 7 2HG LYS 7 -5.818 12.884 -2.161 55 HG3 LYS 7 1HG LYS 7 -6.227 11.472 -1.195 56 HD2 LYS 7 2HD LYS 7 -5.593 12.508 0.819 57 HD3 LYS 7 1HD LYS 7 -4.597 13.710 -0.002 58 HE2 LYS 7 2HE LYS 7 -7.589 13.585 -0.400 59 HE3 LYS 7 1HE LYS 7 -6.863 14.514 0.911 60 HZ1 LYS 7 1HZ LYS 7 -5.884 14.858 -1.842 61 HZ2 LYS 7 2HZ LYS 7 -5.852 15.954 -0.544 62 HZ3 LYS 7 3HZ LYS 7 -7.310 15.639 -1.357 63 H GLY 8 H GLY 8 -1.355 10.013 -0.921 64 HA2 GLY 8 2HA GLY 8 -1.946 7.757 -2.599 65 HA3 GLY 8 1HA GLY 8 -0.355 8.241 -2.020 66 H ALA 9 H ALA 9 -0.687 8.165 0.705 67 HA ALA 9 HA ALA 9 -0.355 5.435 1.300 68 HB1 ALA 9 1HB ALA 9 -0.482 6.181 3.684 69 HB2 ALA 9 2HB ALA 9 -0.941 7.785 3.112 70 HB3 ALA 9 3HB ALA 9 0.646 7.126 2.711 71 H ALA 10 H ALA 10 -3.172 7.503 1.312 72 HA ALA 10 HA ALA 10 -4.895 6.000 2.918 73 HB1 ALA 10 1HB ALA 10 -6.707 7.103 1.750 74 HB2 ALA 10 2HB ALA 10 -5.648 7.495 0.395 75 HB3 ALA 10 3HB ALA 10 -5.393 8.261 1.963 76 H LYS 11 H LYS 11 -4.394 5.822 -0.604 77 HA LYS 11 HA LYS 11 -5.998 3.455 -0.848 78 HB2 LYS 11 2HB LYS 11 -5.952 5.081 -2.635 79 HB3 LYS 11 1HB LYS 11 -4.229 4.832 -2.799 80 HG2 LYS 11 2HG LYS 11 -4.456 2.862 -3.920 81 HG3 LYS 11 1HG LYS 11 -5.829 2.365 -2.938 82 HD2 LYS 11 2HD LYS 11 -7.274 3.919 -4.111 83 HD3 LYS 11 1HD LYS 11 -5.909 4.454 -5.081 84 HE2 LYS 11 2HE LYS 11 -7.225 1.734 -5.088 85 HE3 LYS 11 1HE LYS 11 -7.065 2.858 -6.437 86 HZ1 LYS 11 1HZ LYS 11 -4.513 2.518 -5.733 87 HZ2 LYS 11 2HZ LYS 11 -5.295 1.596 -6.928 88 HZ3 LYS 11 3HZ LYS 11 -5.140 0.989 -5.349 89 H ASP 12 H ASP 12 -2.632 4.174 -0.406 90 HA ASP 12 HA ASP 12 -1.313 1.992 -1.427 91 HB2 ASP 12 2HB ASP 12 -0.118 3.695 -0.162 92 HB3 ASP 12 1HB ASP 12 -0.944 3.215 1.320 93 H ILE 13 H ILE 13 -3.941 1.983 0.520 94 HA ILE 13 HA ILE 13 -3.753 -0.150 2.290 95 HB ILE 13 HB ILE 13 -5.948 1.052 0.618 96 HG12 ILE 13 2HG1 ILE 13 -5.673 0.885 3.615 97 HG13 ILE 13 1HG1 ILE 13 -4.941 2.184 2.675 98 HG21 ILE 13 1HG2 ILE 13 -7.501 -0.334 2.137 99 HG22 ILE 13 2HG2 ILE 13 -6.099 -1.376 2.385 100 HG23 ILE 13 3HG2 ILE 13 -6.752 -1.147 0.762 101 HD11 ILE 13 1HD1 ILE 13 -7.038 3.071 3.286 102 HD12 ILE 13 2HD1 ILE 13 -7.861 1.529 3.045 103 HD13 ILE 13 3HD1 ILE 13 -7.322 2.468 1.652 104 H ALA 14 H ALA 14 -4.927 -0.120 -1.063 105 HA ALA 14 HA ALA 14 -5.354 -2.862 -1.375 106 HB1 ALA 14 1HB ALA 14 -4.377 -0.986 -3.536 107 HB2 ALA 14 2HB ALA 14 -6.048 -1.049 -2.976 108 HB3 ALA 14 3HB ALA 14 -5.324 -2.460 -3.747 109 H GLY 15 H GLY 15 -2.404 -0.975 -1.596 110 HA2 GLY 15 2HA GLY 15 -0.797 -3.039 -2.758 111 HA3 GLY 15 1HA GLY 15 -0.207 -1.573 -1.981 112 H HIS 16 H HIS 16 -1.668 -2.117 0.515 113 HA HIS 16 HA HIS 16 0.349 -3.583 1.869 114 HB2 HIS 16 2HB HIS 16 -0.858 -1.875 3.058 115 HB3 HIS 16 1HB HIS 16 -2.400 -2.666 2.734 116 HD2 HIS 16 2HD HIS 16 -3.139 -4.492 4.679 117 HE1 HIS 16 1HE HIS 16 0.611 -4.862 6.585 118 HE2 HIS 16 2HE HIS 16 -1.834 -5.547 6.680 119 H LEU 17 H LEU 17 -3.049 -4.380 1.101 120 HA LEU 17 HA LEU 17 -2.997 -6.967 2.206 121 HB2 LEU 17 2HB LEU 17 -5.142 -7.143 1.423 122 HB3 LEU 17 1HB LEU 17 -4.955 -5.402 1.278 123 HG LEU 17 HG LEU 17 -4.073 -5.909 -1.118 124 HD11 LEU 17 1HD1 LEU 17 -4.600 -8.568 -0.214 125 HD12 LEU 17 2HD1 LEU 17 -4.076 -8.053 -1.814 126 HD13 LEU 17 3HD1 LEU 17 -5.796 -8.192 -1.456 127 HD21 LEU 17 1HD2 LEU 17 -6.346 -5.813 -1.997 128 HD22 LEU 17 2HD2 LEU 17 -6.255 -4.828 -0.537 129 HD23 LEU 17 3HD2 LEU 17 -6.993 -6.428 -0.475 130 H ALA 18 H ALA 18 -1.937 -5.707 -0.880 131 HA ALA 18 HA ALA 18 -1.783 -8.164 -2.287 132 HB1 ALA 18 1HB ALA 18 -0.434 -6.995 -3.867 133 HB2 ALA 18 2HB ALA 18 0.072 -5.809 -2.665 134 HB3 ALA 18 3HB ALA 18 -1.589 -5.812 -3.256 135 H SER 19 H SER 19 0.817 -6.292 -0.690 136 HA SER 19 HA SER 19 2.830 -8.182 -0.926 137 HB2 SER 19 2HB SER 19 4.005 -6.780 0.425 138 HB3 SER 19 1HB SER 19 2.594 -5.735 0.299 139 HG SER 19 HG SER 19 3.499 -7.282 2.399 140 H LYS 20 H LYS 20 0.142 -8.019 1.308 141 HA LYS 20 HA LYS 20 0.998 -10.047 3.089 142 HB2 LYS 20 2HB LYS 20 -1.387 -8.452 2.611 143 HB3 LYS 20 1HB LYS 20 -1.806 -10.105 3.041 144 HG2 LYS 20 2HG LYS 20 -0.342 -9.947 5.035 145 HG3 LYS 20 1HG LYS 20 0.038 -8.278 4.610 146 HD2 LYS 20 2HD LYS 20 -2.246 -7.594 4.920 147 HD3 LYS 20 1HD LYS 20 -2.786 -9.267 5.069 148 HE2 LYS 20 2HE LYS 20 -1.355 -9.487 7.115 149 HE3 LYS 20 1HE LYS 20 -0.996 -7.765 6.999 150 HZ1 LYS 20 1HZ LYS 20 -2.790 -7.892 8.454 151 HZ2 LYS 20 2HZ LYS 20 -3.590 -9.075 7.534 152 HZ3 LYS 20 3HZ LYS 20 -3.509 -7.472 6.976 153 H VAL 21 H VAL 21 -1.205 -10.084 0.297 154 HA VAL 21 HA VAL 21 -1.531 -12.919 0.322 155 HB VAL 21 HB VAL 21 -2.099 -10.950 -1.892 156 HG11 VAL 21 1HG1 VAL 21 -2.903 -13.823 -1.372 157 HG12 VAL 21 2HG1 VAL 21 -2.011 -13.192 -2.758 158 HG13 VAL 21 3HG1 VAL 21 -3.716 -12.791 -2.549 159 HG21 VAL 21 1HG2 VAL 21 -3.246 -10.660 0.424 160 HG22 VAL 21 2HG2 VAL 21 -4.084 -12.162 0.039 161 HG23 VAL 21 3HG2 VAL 21 -4.285 -10.751 -0.999 162 H MET 22 H MET 22 0.512 -10.672 -1.464 163 HA MET 22 HA MET 22 1.561 -12.505 -3.324 164 HB2 MET 22 2HB MET 22 2.189 -9.823 -2.402 165 HB3 MET 22 1HB MET 22 3.641 -10.730 -2.799 166 HG2 MET 22 2HG MET 22 1.240 -10.580 -4.639 167 HG3 MET 22 1HG MET 22 2.598 -9.449 -4.733 168 HE1 MET 22 1HE MET 22 2.653 -9.986 -7.023 169 HE2 MET 22 2HE MET 22 3.646 -11.253 -7.738 170 HE3 MET 22 3HE MET 22 4.396 -10.022 -6.724 171 H ASN 23 H ASN 23 2.886 -11.429 -0.199 172 HA ASN 23 HA ASN 23 5.076 -13.213 -0.197 173 HB2 ASN 23 2HB ASN 23 4.631 -11.099 1.246 174 HB3 ASN 23 1HB ASN 23 3.805 -12.225 2.313 175 HD21 ASN 23 1HD2 ASN 23 5.101 -13.926 3.349 176 HD22 ASN 23 2HD2 ASN 23 6.793 -13.805 3.415 177 H LYS 24 H LYS 24 1.764 -13.492 0.949 178 HA LYS 24 HA LYS 24 1.904 -15.714 2.580 179 HB2 LYS 24 2HB LYS 24 -0.174 -14.461 2.173 180 HB3 LYS 24 1HB LYS 24 -0.239 -15.099 0.530 181 HG2 LYS 24 2HG LYS 24 -0.485 -17.362 1.347 182 HG3 LYS 24 1HG LYS 24 -0.201 -16.841 3.008 183 HD2 LYS 24 2HD LYS 24 -2.265 -15.624 3.074 184 HD3 LYS 24 1HD LYS 24 -2.495 -15.796 1.335 185 HE2 LYS 24 2HE LYS 24 -3.926 -17.400 2.479 186 HE3 LYS 24 1HE LYS 24 -2.640 -18.274 1.647 187 HZ1 LYS 24 1HZ LYS 24 -3.009 -19.029 3.950 188 HZ2 LYS 24 2HZ LYS 24 -2.553 -17.491 4.508 189 HZ3 LYS 24 3HZ LYS 24 -1.431 -18.466 3.684 190 H LEU 25 H LEU 25 2.035 -15.552 -0.934 191 HA LEU 25 HA LEU 25 1.779 -18.323 -1.421 192 HB2 LEU 25 2HB LEU 25 1.638 -16.247 -3.028 193 HB3 LEU 25 1HB LEU 25 3.363 -16.552 -3.210 194 HG LEU 25 HG LEU 25 2.206 -17.765 -4.954 195 HD11 LEU 25 1HD1 LEU 25 3.073 -19.950 -4.579 196 HD12 LEU 25 2HD1 LEU 25 2.878 -19.811 -2.833 197 HD13 LEU 25 3HD1 LEU 25 4.116 -18.865 -3.660 198 HD21 LEU 25 1HD2 LEU 25 0.712 -19.508 -3.046 199 HD22 LEU 25 2HD2 LEU 25 0.272 -18.976 -4.667 200 HD23 LEU 25 3HD2 LEU 25 0.072 -17.884 -3.299 201 HN1 NH2 26 HN1 NH2 26 4.795 -16.399 -1.841 202 HN2 NH2 26 HN2 NH2 26 5.828 -17.638 -1.285 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 3.328 19.931 -0.483 2 H2 GLY 1 2HT GLY 1 2.195 20.899 -1.299 3 H3 GLY 1 3HT GLY 1 2.213 19.218 -1.545 4 HA2 GLY 1 2HA GLY 1 1.636 20.498 1.069 5 HA3 GLY 1 1HA GLY 1 0.390 19.990 -0.073 6 H VAL 2 H VAL 2 1.739 19.050 2.676 7 HA VAL 2 HA VAL 2 2.656 16.439 2.375 8 HB VAL 2 HB VAL 2 2.730 17.694 4.501 9 HG11 VAL 2 1HG1 VAL 2 -0.210 17.029 4.763 10 HG12 VAL 2 2HG1 VAL 2 0.362 18.600 4.199 11 HG13 VAL 2 3HG1 VAL 2 0.767 18.044 5.823 12 HG21 VAL 2 1HG2 VAL 2 2.799 15.143 4.355 13 HG22 VAL 2 2HG2 VAL 2 1.105 15.164 4.848 14 HG23 VAL 2 3HG2 VAL 2 2.344 15.808 5.925 15 H VAL 3 H VAL 3 -0.600 17.715 2.277 16 HA VAL 3 HA VAL 3 -2.135 15.452 2.711 17 HB VAL 3 HB VAL 3 -2.580 17.673 0.702 18 HG11 VAL 3 1HG1 VAL 3 -4.367 15.471 1.752 19 HG12 VAL 3 2HG1 VAL 3 -4.028 15.888 0.072 20 HG13 VAL 3 3HG1 VAL 3 -5.017 16.959 1.063 21 HG21 VAL 3 1HG2 VAL 3 -2.401 18.533 2.956 22 HG22 VAL 3 2HG2 VAL 3 -3.428 17.243 3.582 23 HG23 VAL 3 3HG2 VAL 3 -4.114 18.489 2.539 24 H ASP 4 H ASP 4 -0.080 16.233 0.020 25 HA ASP 4 HA ASP 4 -1.206 14.372 -1.840 26 HB2 ASP 4 2HB ASP 4 0.234 16.350 -2.446 27 HB3 ASP 4 1HB ASP 4 1.618 15.455 -1.802 28 H ILE 5 H ILE 5 1.551 14.282 0.399 29 HA ILE 5 HA ILE 5 2.449 11.693 -0.307 30 HB ILE 5 HB ILE 5 2.731 13.004 2.400 31 HG12 ILE 5 2HG1 ILE 5 4.426 13.367 -0.095 32 HG13 ILE 5 1HG1 ILE 5 3.344 14.588 0.591 33 HG21 ILE 5 1HG2 ILE 5 3.442 10.603 2.090 34 HG22 ILE 5 2HG2 ILE 5 4.755 11.690 2.543 35 HG23 ILE 5 3HG2 ILE 5 4.586 11.160 0.870 36 HD11 ILE 5 1HD1 ILE 5 5.793 13.383 1.914 37 HD12 ILE 5 2HD1 ILE 5 4.655 14.455 2.729 38 HD13 ILE 5 3HD1 ILE 5 5.601 15.046 1.363 39 H LEU 6 H LEU 6 -0.094 12.843 1.748 40 HA LEU 6 HA LEU 6 -0.479 10.425 3.224 41 HB2 LEU 6 2HB LEU 6 -1.932 13.006 2.855 42 HB3 LEU 6 1HB LEU 6 -2.863 11.629 3.452 43 HG LEU 6 HG LEU 6 -0.198 12.251 4.704 44 HD11 LEU 6 1HD1 LEU 6 -1.381 13.713 6.339 45 HD12 LEU 6 2HD1 LEU 6 -2.825 13.636 5.328 46 HD13 LEU 6 3HD1 LEU 6 -1.358 14.402 4.716 47 HD21 LEU 6 1HD2 LEU 6 -2.773 11.300 5.977 48 HD22 LEU 6 2HD2 LEU 6 -1.126 11.114 6.578 49 HD23 LEU 6 3HD2 LEU 6 -1.665 10.184 5.181 50 H LYS 7 H LYS 7 -2.245 11.937 0.522 51 HA LYS 7 HA LYS 7 -4.152 9.996 0.082 52 HB2 LYS 7 2HB LYS 7 -3.003 12.153 -1.522 53 HB3 LYS 7 1HB LYS 7 -3.411 10.757 -2.503 54 HG2 LYS 7 2HG LYS 7 -5.358 12.175 -2.373 55 HG3 LYS 7 1HG LYS 7 -5.680 10.732 -1.421 56 HD2 LYS 7 2HD LYS 7 -5.384 11.871 0.627 57 HD3 LYS 7 1HD LYS 7 -4.524 13.207 -0.137 58 HE2 LYS 7 2HE LYS 7 -7.381 12.622 -0.889 59 HE3 LYS 7 1HE LYS 7 -7.017 13.555 0.562 60 HZ1 LYS 7 1HZ LYS 7 -5.406 14.632 -1.358 61 HZ2 LYS 7 2HZ LYS 7 -6.860 15.297 -0.783 62 HZ3 LYS 7 3HZ LYS 7 -6.857 14.334 -2.182 63 H GLY 8 H GLY 8 -0.732 9.886 -0.660 64 HA2 GLY 8 2HA GLY 8 -0.883 7.597 -2.390 65 HA3 GLY 8 1HA GLY 8 0.576 8.262 -1.661 66 H ALA 9 H ALA 9 0.365 8.026 0.933 67 HA ALA 9 HA ALA 9 0.749 5.307 1.493 68 HB1 ALA 9 1HB ALA 9 0.495 6.078 3.923 69 HB2 ALA 9 2HB ALA 9 0.222 7.690 3.264 70 HB3 ALA 9 3HB ALA 9 1.752 6.864 2.970 71 H ALA 10 H ALA 10 -2.133 7.286 1.586 72 HA ALA 10 HA ALA 10 -3.769 5.655 3.176 73 HB1 ALA 10 1HB ALA 10 -5.648 6.676 1.775 74 HB2 ALA 10 2HB ALA 10 -4.381 7.525 0.888 75 HB3 ALA 10 3HB ALA 10 -4.591 7.812 2.615 76 H LYS 11 H LYS 11 -3.388 5.703 -0.367 77 HA LYS 11 HA LYS 11 -4.925 3.300 -0.691 78 HB2 LYS 11 2HB LYS 11 -5.016 5.026 -2.380 79 HB3 LYS 11 1HB LYS 11 -3.292 4.860 -2.625 80 HG2 LYS 11 2HG LYS 11 -3.489 2.952 -3.856 81 HG3 LYS 11 1HG LYS 11 -4.798 2.341 -2.851 82 HD2 LYS 11 2HD LYS 11 -6.354 3.888 -3.869 83 HD3 LYS 11 1HD LYS 11 -5.057 4.554 -4.850 84 HE2 LYS 11 2HE LYS 11 -6.213 2.985 -6.254 85 HE3 LYS 11 1HE LYS 11 -4.699 2.214 -5.779 86 HZ1 LYS 11 1HZ LYS 11 -5.755 0.754 -4.423 87 HZ2 LYS 11 2HZ LYS 11 -7.008 0.999 -5.545 88 HZ3 LYS 11 3HZ LYS 11 -7.026 1.817 -4.055 89 H ASP 12 H ASP 12 -1.573 4.121 -0.347 90 HA ASP 12 HA ASP 12 -0.216 2.056 -1.544 91 HB2 ASP 12 2HB ASP 12 0.918 3.769 -0.197 92 HB3 ASP 12 1HB ASP 12 0.233 3.078 1.274 93 H ILE 13 H ILE 13 -2.759 1.827 0.501 94 HA ILE 13 HA ILE 13 -2.415 -0.388 2.141 95 HB ILE 13 HB ILE 13 -4.719 0.814 0.623 96 HG12 ILE 13 2HG1 ILE 13 -4.316 0.489 3.593 97 HG13 ILE 13 1HG1 ILE 13 -3.677 1.870 2.701 98 HG21 ILE 13 1HG2 ILE 13 -4.709 -1.714 2.251 99 HG22 ILE 13 2HG2 ILE 13 -5.433 -1.420 0.669 100 HG23 ILE 13 3HG2 ILE 13 -6.156 -0.716 2.115 101 HD11 ILE 13 1HD1 ILE 13 -5.782 2.630 3.442 102 HD12 ILE 13 2HD1 ILE 13 -6.549 1.071 3.146 103 HD13 ILE 13 3HD1 ILE 13 -6.108 2.106 1.791 104 H ALA 14 H ALA 14 -3.720 -0.230 -1.159 105 HA ALA 14 HA ALA 14 -4.145 -2.910 -1.659 106 HB1 ALA 14 1HB ALA 14 -4.595 -0.874 -3.171 107 HB2 ALA 14 2HB ALA 14 -4.136 -2.384 -3.957 108 HB3 ALA 14 3HB ALA 14 -2.944 -1.101 -3.748 109 H GLY 15 H GLY 15 -1.114 -1.136 -1.652 110 HA2 GLY 15 2HA GLY 15 0.462 -3.213 -2.838 111 HA3 GLY 15 1HA GLY 15 1.074 -1.812 -1.965 112 H HIS 16 H HIS 16 0.014 -2.089 0.519 113 HA HIS 16 HA HIS 16 1.695 -3.984 1.741 114 HB2 HIS 16 2HB HIS 16 0.935 -2.032 2.958 115 HB3 HIS 16 1HB HIS 16 -0.745 -2.545 2.806 116 HD2 HIS 16 2HD HIS 16 -1.504 -4.678 4.536 117 HE1 HIS 16 1HE HIS 16 2.132 -4.804 6.677 118 HE2 HIS 16 2HE HIS 16 -0.261 -5.650 6.617 119 H LEU 17 H LEU 17 -1.836 -4.026 1.224 120 HA LEU 17 HA LEU 17 -2.319 -6.541 2.361 121 HB2 LEU 17 2HB LEU 17 -3.997 -4.759 1.742 122 HB3 LEU 17 1HB LEU 17 -3.831 -5.321 0.087 123 HG LEU 17 HG LEU 17 -4.439 -7.627 0.862 124 HD11 LEU 17 1HD1 LEU 17 -5.783 -7.421 3.157 125 HD12 LEU 17 2HD1 LEU 17 -4.614 -6.137 3.461 126 HD13 LEU 17 3HD1 LEU 17 -4.058 -7.780 3.148 127 HD21 LEU 17 1HD2 LEU 17 -6.826 -7.119 1.030 128 HD22 LEU 17 2HD2 LEU 17 -6.069 -6.034 -0.136 129 HD23 LEU 17 3HD2 LEU 17 -6.460 -5.455 1.483 130 H ALA 18 H ALA 18 -1.353 -5.587 -0.894 131 HA ALA 18 HA ALA 18 -1.767 -8.065 -2.173 132 HB1 ALA 18 1HB ALA 18 -0.004 -7.239 -3.775 133 HB2 ALA 18 2HB ALA 18 0.219 -5.846 -2.716 134 HB3 ALA 18 3HB ALA 18 -1.333 -6.110 -3.510 135 H SER 19 H SER 19 1.269 -6.694 -0.881 136 HA SER 19 HA SER 19 2.847 -8.959 -1.203 137 HB2 SER 19 2HB SER 19 4.404 -7.762 -0.061 138 HB3 SER 19 1HB SER 19 3.216 -6.465 -0.106 139 HG SER 19 HG SER 19 2.383 -7.601 1.885 140 H LYS 20 H LYS 20 0.521 -8.151 1.301 141 HA LYS 20 HA LYS 20 1.148 -10.274 3.069 142 HB2 LYS 20 2HB LYS 20 -0.910 -8.222 2.790 143 HB3 LYS 20 1HB LYS 20 -1.550 -9.728 3.438 144 HG2 LYS 20 2HG LYS 20 -0.798 -8.418 5.307 145 HG3 LYS 20 1HG LYS 20 0.368 -9.717 5.096 146 HD2 LYS 20 2HD LYS 20 1.728 -8.091 3.677 147 HD3 LYS 20 1HD LYS 20 0.649 -6.823 4.258 148 HE2 LYS 20 2HE LYS 20 2.624 -6.902 5.686 149 HE3 LYS 20 1HE LYS 20 1.226 -7.465 6.603 150 HZ1 LYS 20 1HZ LYS 20 1.934 -9.628 6.538 151 HZ2 LYS 20 2HZ LYS 20 3.427 -8.819 6.615 152 HZ3 LYS 20 3HZ LYS 20 2.855 -9.414 5.130 153 H VAL 21 H VAL 21 -1.289 -9.878 0.520 154 HA VAL 21 HA VAL 21 -2.302 -12.536 0.755 155 HB VAL 21 HB VAL 21 -2.574 -10.575 -1.521 156 HG11 VAL 21 1HG1 VAL 21 -3.116 -12.797 -2.262 157 HG12 VAL 21 2HG1 VAL 21 -4.646 -11.981 -1.937 158 HG13 VAL 21 3HG1 VAL 21 -3.999 -13.139 -0.775 159 HG21 VAL 21 1HG2 VAL 21 -4.460 -9.712 -0.445 160 HG22 VAL 21 2HG2 VAL 21 -3.414 -10.029 0.938 161 HG23 VAL 21 3HG2 VAL 21 -4.697 -11.164 0.527 162 H MET 22 H MET 22 0.040 -10.947 -1.345 163 HA MET 22 HA MET 22 0.427 -13.058 -3.161 164 HB2 MET 22 2HB MET 22 1.778 -10.581 -2.467 165 HB3 MET 22 1HB MET 22 2.921 -11.839 -2.922 166 HG2 MET 22 2HG MET 22 1.617 -12.243 -4.998 167 HG3 MET 22 1HG MET 22 0.522 -10.928 -4.546 168 HE1 MET 22 1HE MET 22 1.627 -10.833 -7.232 169 HE2 MET 22 2HE MET 22 3.094 -11.747 -6.897 170 HE3 MET 22 3HE MET 22 3.212 -10.112 -7.540 171 H ASN 23 H ASN 23 2.279 -12.220 -0.236 172 HA ASN 23 HA ASN 23 4.012 -14.422 -0.280 173 HB2 ASN 23 2HB ASN 23 4.056 -12.289 1.186 174 HB3 ASN 23 1HB ASN 23 3.034 -13.223 2.269 175 HD21 ASN 23 1HD2 ASN 23 4.126 -15.788 2.074 176 HD22 ASN 23 2HD2 ASN 23 5.736 -15.767 2.610 177 H LYS 24 H LYS 24 0.717 -14.103 0.827 178 HA LYS 24 HA LYS 24 0.548 -16.407 2.433 179 HB2 LYS 24 2HB LYS 24 -1.167 -14.531 2.183 180 HB3 LYS 24 1HB LYS 24 -1.694 -15.349 0.712 181 HG2 LYS 24 2HG LYS 24 -1.987 -17.448 2.084 182 HG3 LYS 24 1HG LYS 24 -1.682 -16.475 3.523 183 HD2 LYS 24 2HD LYS 24 -3.600 -15.064 3.043 184 HD3 LYS 24 1HD LYS 24 -3.864 -15.886 1.505 185 HE2 LYS 24 2HE LYS 24 -4.243 -18.015 2.740 186 HE3 LYS 24 1HE LYS 24 -4.071 -17.136 4.259 187 HZ1 LYS 24 1HZ LYS 24 -6.316 -17.300 2.512 188 HZ2 LYS 24 2HZ LYS 24 -5.881 -15.684 2.805 189 HZ3 LYS 24 3HZ LYS 24 -6.232 -16.720 4.104 190 H LEU 25 H LEU 25 -0.325 -15.955 -1.000 191 HA LEU 25 HA LEU 25 -0.872 -18.686 -1.474 192 HB2 LEU 25 2HB LEU 25 -1.506 -16.519 -2.822 193 HB3 LEU 25 1HB LEU 25 0.014 -16.858 -3.647 194 HG LEU 25 HG LEU 25 -1.760 -17.939 -4.884 195 HD11 LEU 25 1HD1 LEU 25 -0.915 -20.163 -4.953 196 HD12 LEU 25 2HD1 LEU 25 -0.443 -20.118 -3.256 197 HD13 LEU 25 3HD1 LEU 25 0.441 -19.160 -4.444 198 HD21 LEU 25 1HD2 LEU 25 -2.518 -19.745 -2.630 199 HD22 LEU 25 2HD2 LEU 25 -3.501 -19.120 -3.952 200 HD23 LEU 25 3HD2 LEU 25 -3.137 -18.094 -2.568 201 HN1 NH2 26 HN1 NH2 26 1.865 -16.809 -2.878 202 HN2 NH2 26 HN2 NH2 26 2.970 -18.107 -2.813 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 2.119 19.850 -2.437 2 H2 GLY 1 2HT GLY 1 1.232 19.455 -1.043 3 H3 GLY 1 3HT GLY 1 1.760 18.229 -2.094 4 HA2 GLY 1 2HA GLY 1 4.108 19.129 -1.575 5 HA3 GLY 1 1HA GLY 1 3.309 19.813 -0.160 6 H VAL 2 H VAL 2 3.969 18.522 1.480 7 HA VAL 2 HA VAL 2 4.368 15.709 1.241 8 HB VAL 2 HB VAL 2 4.597 15.763 3.698 9 HG11 VAL 2 1HG1 VAL 2 6.416 16.561 2.087 10 HG12 VAL 2 2HG1 VAL 2 6.553 17.133 3.750 11 HG13 VAL 2 3HG1 VAL 2 5.922 18.204 2.498 12 HG21 VAL 2 1HG2 VAL 2 4.416 18.087 4.755 13 HG22 VAL 2 2HG2 VAL 2 2.887 17.307 4.348 14 HG23 VAL 2 3HG2 VAL 2 3.537 18.572 3.305 15 H VAL 3 H VAL 3 1.693 17.734 2.317 16 HA VAL 3 HA VAL 3 0.077 15.868 3.577 17 HB VAL 3 HB VAL 3 -0.410 18.305 3.399 18 HG11 VAL 3 1HG1 VAL 3 -1.470 17.631 0.645 19 HG12 VAL 3 2HG1 VAL 3 0.112 18.366 0.908 20 HG13 VAL 3 3HG1 VAL 3 -1.350 19.223 1.394 21 HG21 VAL 3 1HG2 VAL 3 -2.145 16.585 4.030 22 HG22 VAL 3 2HG2 VAL 3 -2.664 16.569 2.344 23 HG23 VAL 3 3HG2 VAL 3 -2.819 18.043 3.300 24 H ASP 4 H ASP 4 0.819 16.228 0.191 25 HA ASP 4 HA ASP 4 -1.351 14.688 -0.834 26 HB2 ASP 4 2HB ASP 4 -0.072 16.204 -2.266 27 HB3 ASP 4 1HB ASP 4 1.389 15.241 -2.003 28 H ILE 5 H ILE 5 2.007 13.908 0.032 29 HA ILE 5 HA ILE 5 1.992 11.218 -0.760 30 HB ILE 5 HB ILE 5 3.515 12.571 1.477 31 HG12 ILE 5 2HG1 ILE 5 4.424 11.790 -1.309 32 HG13 ILE 5 1HG1 ILE 5 3.818 13.404 -0.908 33 HG21 ILE 5 1HG2 ILE 5 3.770 9.840 0.199 34 HG22 ILE 5 2HG2 ILE 5 3.581 10.219 1.911 35 HG23 ILE 5 3HG2 ILE 5 5.091 10.600 1.086 36 HD11 ILE 5 1HD1 ILE 5 6.349 13.130 -0.806 37 HD12 ILE 5 2HD1 ILE 5 6.094 12.089 0.595 38 HD13 ILE 5 3HD1 ILE 5 5.598 13.780 0.650 39 H LEU 6 H LEU 6 0.656 12.807 2.016 40 HA LEU 6 HA LEU 6 0.334 10.494 3.654 41 HB2 LEU 6 2HB LEU 6 -0.575 13.323 3.675 42 HB3 LEU 6 1HB LEU 6 -1.588 12.177 4.562 43 HG LEU 6 HG LEU 6 1.400 12.128 4.944 44 HD11 LEU 6 1HD1 LEU 6 0.978 14.432 5.350 45 HD12 LEU 6 2HD1 LEU 6 0.935 13.676 6.941 46 HD13 LEU 6 3HD1 LEU 6 -0.570 14.093 6.123 47 HD21 LEU 6 1HD2 LEU 6 0.844 11.112 7.021 48 HD22 LEU 6 2HD2 LEU 6 -0.282 10.399 5.867 49 HD23 LEU 6 3HD2 LEU 6 -0.822 11.684 6.947 50 H LYS 7 H LYS 7 -1.412 11.854 0.993 51 HA LYS 7 HA LYS 7 -3.885 10.478 1.534 52 HB2 LYS 7 2HB LYS 7 -2.943 12.356 -0.518 53 HB3 LYS 7 1HB LYS 7 -3.940 11.066 -1.176 54 HG2 LYS 7 2HG LYS 7 -5.360 12.917 -0.494 55 HG3 LYS 7 1HG LYS 7 -5.657 11.544 0.565 56 HD2 LYS 7 2HD LYS 7 -4.534 12.524 2.371 57 HD3 LYS 7 1HD LYS 7 -3.594 13.596 1.333 58 HE2 LYS 7 2HE LYS 7 -5.593 14.585 2.707 59 HE3 LYS 7 1HE LYS 7 -5.378 15.080 1.028 60 HZ1 LYS 7 1HZ LYS 7 -7.295 13.117 2.129 61 HZ2 LYS 7 2HZ LYS 7 -6.905 13.155 0.475 62 HZ3 LYS 7 3HZ LYS 7 -7.620 14.508 1.213 63 H GLY 8 H GLY 8 -0.929 9.748 -0.190 64 HA2 GLY 8 2HA GLY 8 -1.824 7.648 -1.822 65 HA3 GLY 8 1HA GLY 8 -0.187 7.820 -1.195 66 H ALA 9 H ALA 9 -0.852 7.712 1.579 67 HA ALA 9 HA ALA 9 -0.681 4.989 2.105 68 HB1 ALA 9 1HB ALA 9 -1.005 5.529 4.398 69 HB2 ALA 9 2HB ALA 9 -1.938 6.972 4.001 70 HB3 ALA 9 3HB ALA 9 -0.203 6.929 3.688 71 H ALA 10 H ALA 10 -3.508 7.020 1.683 72 HA ALA 10 HA ALA 10 -5.465 5.318 2.745 73 HB1 ALA 10 1HB ALA 10 -5.846 7.674 1.992 74 HB2 ALA 10 2HB ALA 10 -7.048 6.538 1.376 75 HB3 ALA 10 3HB ALA 10 -5.754 7.111 0.322 76 H LYS 11 H LYS 11 -4.283 5.588 -0.605 77 HA LYS 11 HA LYS 11 -5.716 3.244 -1.439 78 HB2 LYS 11 2HB LYS 11 -5.390 5.086 -2.974 79 HB3 LYS 11 1HB LYS 11 -3.658 4.883 -2.827 80 HG2 LYS 11 2HG LYS 11 -3.595 3.068 -4.204 81 HG3 LYS 11 1HG LYS 11 -5.109 2.430 -3.572 82 HD2 LYS 11 2HD LYS 11 -6.365 4.095 -4.805 83 HD3 LYS 11 1HD LYS 11 -4.865 4.773 -5.420 84 HE2 LYS 11 2HE LYS 11 -4.347 2.519 -6.433 85 HE3 LYS 11 1HE LYS 11 -5.974 2.013 -5.977 86 HZ1 LYS 11 1HZ LYS 11 -6.889 3.770 -7.321 87 HZ2 LYS 11 2HZ LYS 11 -5.848 2.822 -8.271 88 HZ3 LYS 11 3HZ LYS 11 -5.341 4.342 -7.707 89 H ASP 12 H ASP 12 -2.534 3.966 -0.261 90 HA ASP 12 HA ASP 12 -0.944 1.957 -1.247 91 HB2 ASP 12 2HB ASP 12 -0.126 3.532 0.436 92 HB3 ASP 12 1HB ASP 12 -1.176 2.806 1.653 93 H ILE 13 H ILE 13 -3.898 1.651 0.122 94 HA ILE 13 HA ILE 13 -3.967 -0.677 1.635 95 HB ILE 13 HB ILE 13 -5.840 0.670 -0.297 96 HG12 ILE 13 2HG1 ILE 13 -6.161 0.143 2.653 97 HG13 ILE 13 1HG1 ILE 13 -5.314 1.562 2.039 98 HG21 ILE 13 1HG2 ILE 13 -6.228 -1.956 1.114 99 HG22 ILE 13 2HG2 ILE 13 -6.550 -1.550 -0.573 100 HG23 ILE 13 3HG2 ILE 13 -7.598 -0.924 0.700 101 HD11 ILE 13 1HD1 ILE 13 -7.446 1.931 0.595 102 HD12 ILE 13 2HD1 ILE 13 -7.533 2.318 2.313 103 HD13 ILE 13 3HD1 ILE 13 -8.215 0.807 1.714 104 H ALA 14 H ALA 14 -4.449 -0.267 -1.862 105 HA ALA 14 HA ALA 14 -4.727 -2.920 -2.613 106 HB1 ALA 14 1HB ALA 14 -3.742 -2.170 -4.825 107 HB2 ALA 14 2HB ALA 14 -3.453 -0.602 -4.073 108 HB3 ALA 14 3HB ALA 14 -5.101 -1.208 -4.241 109 H GLY 15 H GLY 15 -1.767 -1.069 -2.049 110 HA2 GLY 15 2HA GLY 15 0.015 -3.144 -2.895 111 HA3 GLY 15 1HA GLY 15 0.451 -1.709 -1.973 112 H HIS 16 H HIS 16 -1.240 -2.061 0.243 113 HA HIS 16 HA HIS 16 0.314 -3.763 1.868 114 HB2 HIS 16 2HB HIS 16 -0.894 -1.903 2.838 115 HB3 HIS 16 1HB HIS 16 -2.435 -2.576 2.308 116 HD2 HIS 16 2HD HIS 16 -3.412 -4.714 3.895 117 HE1 HIS 16 1HE HIS 16 -0.309 -4.613 6.754 118 HE2 HIS 16 2HE HIS 16 -2.579 -5.608 6.202 119 H LEU 17 H LEU 17 -2.778 -4.229 0.220 120 HA LEU 17 HA LEU 17 -3.381 -6.741 1.378 121 HB2 LEU 17 2HB LEU 17 -4.812 -4.991 -0.037 122 HB3 LEU 17 1HB LEU 17 -4.330 -6.058 -1.343 123 HG LEU 17 HG LEU 17 -6.443 -6.853 -0.491 124 HD11 LEU 17 1HD1 LEU 17 -5.887 -9.106 -0.093 125 HD12 LEU 17 2HD1 LEU 17 -4.411 -8.687 0.772 126 HD13 LEU 17 3HD1 LEU 17 -4.494 -8.487 -0.979 127 HD21 LEU 17 1HD2 LEU 17 -7.004 -7.009 1.737 128 HD22 LEU 17 2HD2 LEU 17 -5.783 -5.746 1.877 129 HD23 LEU 17 3HD2 LEU 17 -5.364 -7.421 2.237 130 H ALA 18 H ALA 18 -1.648 -5.732 -1.528 131 HA ALA 18 HA ALA 18 -1.351 -8.272 -2.714 132 HB1 ALA 18 1HB ALA 18 0.381 -5.792 -2.810 133 HB2 ALA 18 2HB ALA 18 -0.801 -6.325 -4.006 134 HB3 ALA 18 3HB ALA 18 0.696 -7.230 -3.781 135 H SER 19 H SER 19 0.979 -6.451 -0.706 136 HA SER 19 HA SER 19 2.882 -8.441 -0.417 137 HB2 SER 19 2HB SER 19 3.813 -7.031 1.106 138 HB3 SER 19 1HB SER 19 2.528 -5.928 0.629 139 HG SER 19 HG SER 19 1.295 -7.234 2.314 140 H LYS 20 H LYS 20 -0.198 -8.026 1.210 141 HA LYS 20 HA LYS 20 0.134 -9.994 3.206 142 HB2 LYS 20 2HB LYS 20 -1.970 -8.308 2.176 143 HB3 LYS 20 1HB LYS 20 -2.591 -9.926 2.465 144 HG2 LYS 20 2HG LYS 20 -0.924 -8.446 4.511 145 HG3 LYS 20 1HG LYS 20 -2.676 -8.319 4.450 146 HD2 LYS 20 2HD LYS 20 -2.670 -10.910 4.497 147 HD3 LYS 20 1HD LYS 20 -0.999 -10.752 5.037 148 HE2 LYS 20 2HE LYS 20 -1.851 -9.186 6.847 149 HE3 LYS 20 1HE LYS 20 -3.482 -9.679 6.393 150 HZ1 LYS 20 1HZ LYS 20 -3.086 -11.861 7.037 151 HZ2 LYS 20 2HZ LYS 20 -2.325 -10.953 8.255 152 HZ3 LYS 20 3HZ LYS 20 -1.400 -11.675 7.026 153 H VAL 21 H VAL 21 -1.426 -10.105 0.015 154 HA VAL 21 HA VAL 21 -1.863 -12.923 0.094 155 HB VAL 21 HB VAL 21 -1.861 -11.094 -2.305 156 HG11 VAL 21 1HG1 VAL 21 -3.047 -13.827 -1.747 157 HG12 VAL 21 2HG1 VAL 21 -1.778 -13.443 -2.910 158 HG13 VAL 21 3HG1 VAL 21 -3.422 -12.859 -3.173 159 HG21 VAL 21 1HG2 VAL 21 -3.400 -10.493 -0.316 160 HG22 VAL 21 2HG2 VAL 21 -4.255 -11.988 -0.686 161 HG23 VAL 21 3HG2 VAL 21 -4.170 -10.700 -1.887 162 H MET 22 H MET 22 0.588 -10.840 -1.353 163 HA MET 22 HA MET 22 1.915 -12.789 -2.875 164 HB2 MET 22 2HB MET 22 2.469 -10.103 -1.923 165 HB3 MET 22 1HB MET 22 3.926 -11.085 -1.974 166 HG2 MET 22 2HG MET 22 1.969 -10.814 -4.276 167 HG3 MET 22 1HG MET 22 3.467 -9.883 -4.126 168 HE1 MET 22 1HE MET 22 5.762 -10.901 -5.381 169 HE2 MET 22 2HE MET 22 6.287 -12.224 -4.343 170 HE3 MET 22 3HE MET 22 5.578 -10.780 -3.625 171 H ASN 23 H ASN 23 2.591 -11.654 0.430 172 HA ASN 23 HA ASN 23 4.691 -13.387 1.021 173 HB2 ASN 23 2HB ASN 23 4.178 -11.551 2.481 174 HB3 ASN 23 1HB ASN 23 2.589 -12.222 2.814 175 HD21 ASN 23 1HD2 ASN 23 2.423 -13.685 4.549 176 HD22 ASN 23 2HD2 ASN 23 3.759 -14.341 5.366 177 H LYS 24 H LYS 24 1.198 -13.864 1.288 178 HA LYS 24 HA LYS 24 1.227 -16.335 2.624 179 HB2 LYS 24 2HB LYS 24 -0.828 -15.075 2.388 180 HB3 LYS 24 1HB LYS 24 -0.752 -15.206 0.631 181 HG2 LYS 24 2HG LYS 24 -1.117 -17.572 0.700 182 HG3 LYS 24 1HG LYS 24 -0.867 -17.625 2.446 183 HD2 LYS 24 2HD LYS 24 -2.918 -16.516 2.886 184 HD3 LYS 24 1HD LYS 24 -3.080 -15.980 1.212 185 HE2 LYS 24 2HE LYS 24 -4.485 -18.037 2.040 186 HE3 LYS 24 1HE LYS 24 -3.713 -18.101 0.455 187 HZ1 LYS 24 1HZ LYS 24 -3.093 -20.087 1.429 188 HZ2 LYS 24 2HZ LYS 24 -2.887 -19.400 2.970 189 HZ3 LYS 24 3HZ LYS 24 -1.750 -19.098 1.744 190 H LEU 25 H LEU 25 1.399 -15.539 -0.824 191 HA LEU 25 HA LEU 25 1.283 -18.190 -1.781 192 HB2 LEU 25 2HB LEU 25 1.044 -15.877 -3.005 193 HB3 LEU 25 1HB LEU 25 2.782 -16.063 -3.223 194 HG LEU 25 HG LEU 25 1.685 -17.007 -5.161 195 HD11 LEU 25 1HD1 LEU 25 2.453 -19.357 -3.422 196 HD12 LEU 25 2HD1 LEU 25 3.645 -18.224 -4.062 197 HD13 LEU 25 3HD1 LEU 25 2.655 -19.181 -5.165 198 HD21 LEU 25 1HD2 LEU 25 -0.445 -17.508 -3.580 199 HD22 LEU 25 2HD2 LEU 25 0.273 -19.119 -3.590 200 HD23 LEU 25 3HD2 LEU 25 -0.184 -18.349 -5.107 201 HN1 NH2 26 HN1 NH2 26 4.205 -16.081 -1.799 202 HN2 NH2 26 HN2 NH2 26 5.294 -17.354 -1.476 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 2.465 20.642 -1.917 2 H2 GLY 1 2HT GLY 1 3.444 20.205 -0.598 3 H3 GLY 1 3HT GLY 1 2.713 21.738 -0.645 4 HA2 GLY 1 2HA GLY 1 1.104 20.869 0.599 5 HA3 GLY 1 1HA GLY 1 0.592 20.068 -0.887 6 H VAL 2 H VAL 2 1.724 19.613 2.264 7 HA VAL 2 HA VAL 2 3.012 17.074 1.933 8 HB VAL 2 HB VAL 2 2.791 16.922 4.399 9 HG11 VAL 2 1HG1 VAL 2 4.685 18.139 3.484 10 HG12 VAL 2 2HG1 VAL 2 4.089 19.012 4.896 11 HG13 VAL 2 3HG1 VAL 2 3.701 19.588 3.274 12 HG21 VAL 2 1HG2 VAL 2 1.170 19.452 3.985 13 HG22 VAL 2 2HG2 VAL 2 1.810 18.949 5.550 14 HG23 VAL 2 3HG2 VAL 2 0.621 17.945 4.718 15 H VAL 3 H VAL 3 -0.277 18.155 2.505 16 HA VAL 3 HA VAL 3 -1.463 15.790 3.378 17 HB VAL 3 HB VAL 3 -2.595 18.010 3.230 18 HG11 VAL 3 1HG1 VAL 3 -3.414 18.828 1.139 19 HG12 VAL 3 2HG1 VAL 3 -2.989 17.331 0.309 20 HG13 VAL 3 3HG1 VAL 3 -1.720 18.422 0.864 21 HG21 VAL 3 1HG2 VAL 3 -4.779 17.099 2.677 22 HG22 VAL 3 2HG2 VAL 3 -3.841 15.839 3.478 23 HG23 VAL 3 3HG2 VAL 3 -4.044 15.809 1.727 24 H ASP 4 H ASP 4 -0.232 16.654 0.253 25 HA ASP 4 HA ASP 4 -1.680 14.747 -1.290 26 HB2 ASP 4 2HB ASP 4 -0.519 16.695 -2.281 27 HB3 ASP 4 1HB ASP 4 1.034 15.978 -1.832 28 H ILE 5 H ILE 5 1.588 14.719 0.133 29 HA ILE 5 HA ILE 5 2.417 12.214 -0.722 30 HB ILE 5 HB ILE 5 2.983 13.585 1.915 31 HG12 ILE 5 2HG1 ILE 5 4.660 13.463 -0.609 32 HG13 ILE 5 1HG1 ILE 5 3.557 14.800 -0.247 33 HG21 ILE 5 1HG2 ILE 5 3.604 11.293 2.169 34 HG22 ILE 5 2HG2 ILE 5 5.092 12.142 1.753 35 HG23 ILE 5 3HG2 ILE 5 4.237 11.209 0.526 36 HD11 ILE 5 1HD1 ILE 5 4.765 15.111 1.938 37 HD12 ILE 5 2HD1 ILE 5 5.771 15.420 0.522 38 HD13 ILE 5 3HD1 ILE 5 5.936 13.904 1.406 39 H LEU 6 H LEU 6 0.119 13.078 1.727 40 HA LEU 6 HA LEU 6 0.055 10.528 3.034 41 HB2 LEU 6 2HB LEU 6 -1.469 13.076 3.152 42 HB3 LEU 6 1HB LEU 6 -2.340 11.627 3.665 43 HG LEU 6 HG LEU 6 0.445 12.131 4.696 44 HD11 LEU 6 1HD1 LEU 6 -0.621 14.218 5.201 45 HD12 LEU 6 2HD1 LEU 6 -0.692 13.256 6.677 46 HD13 LEU 6 3HD1 LEU 6 -2.122 13.415 5.659 47 HD21 LEU 6 1HD2 LEU 6 -2.010 10.876 5.965 48 HD22 LEU 6 2HD2 LEU 6 -0.354 10.806 6.568 49 HD23 LEU 6 3HD2 LEU 6 -0.788 9.963 5.080 50 H LYS 7 H LYS 7 -1.839 12.109 0.501 51 HA LYS 7 HA LYS 7 -3.919 10.318 0.202 52 HB2 LYS 7 2HB LYS 7 -2.699 12.342 -1.496 53 HB3 LYS 7 1HB LYS 7 -3.169 10.940 -2.441 54 HG2 LYS 7 2HG LYS 7 -5.063 12.418 -2.348 55 HG3 LYS 7 1HG LYS 7 -5.428 11.035 -1.324 56 HD2 LYS 7 2HD LYS 7 -5.063 12.258 0.664 57 HD3 LYS 7 1HD LYS 7 -4.165 13.524 -0.175 58 HE2 LYS 7 2HE LYS 7 -6.183 14.309 -1.269 59 HE3 LYS 7 1HE LYS 7 -7.110 12.959 -0.614 60 HZ1 LYS 7 1HZ LYS 7 -6.915 13.793 1.552 61 HZ2 LYS 7 2HZ LYS 7 -7.294 15.147 0.599 62 HZ3 LYS 7 3HZ LYS 7 -5.697 14.893 1.122 63 H GLY 8 H GLY 8 -0.555 9.914 -0.668 64 HA2 GLY 8 2HA GLY 8 -0.904 7.627 -2.344 65 HA3 GLY 8 1HA GLY 8 0.601 8.144 -1.589 66 H ALA 9 H ALA 9 -0.130 8.068 1.098 67 HA ALA 9 HA ALA 9 0.346 5.418 1.803 68 HB1 ALA 9 1HB ALA 9 -1.158 7.364 3.552 69 HB2 ALA 9 2HB ALA 9 0.574 7.504 3.256 70 HB3 ALA 9 3HB ALA 9 -0.072 6.068 4.051 71 H ALA 10 H ALA 10 -2.714 7.143 1.413 72 HA ALA 10 HA ALA 10 -4.461 5.256 2.492 73 HB1 ALA 10 1HB ALA 10 -4.969 6.962 0.045 74 HB2 ALA 10 2HB ALA 10 -5.092 7.546 1.704 75 HB3 ALA 10 3HB ALA 10 -6.180 6.282 1.132 76 H LYS 11 H LYS 11 -3.222 5.532 -0.830 77 HA LYS 11 HA LYS 11 -4.529 3.152 -1.711 78 HB2 LYS 11 2HB LYS 11 -4.089 4.915 -3.278 79 HB3 LYS 11 1HB LYS 11 -2.377 4.781 -2.961 80 HG2 LYS 11 2HG LYS 11 -2.123 2.917 -4.249 81 HG3 LYS 11 1HG LYS 11 -3.673 2.254 -3.740 82 HD2 LYS 11 2HD LYS 11 -4.849 3.829 -5.157 83 HD3 LYS 11 1HD LYS 11 -3.317 4.532 -5.651 84 HE2 LYS 11 2HE LYS 11 -2.658 2.192 -6.452 85 HE3 LYS 11 1HE LYS 11 -4.355 1.759 -6.247 86 HZ1 LYS 11 1HZ LYS 11 -4.649 3.967 -7.636 87 HZ2 LYS 11 2HZ LYS 11 -4.412 2.461 -8.385 88 HZ3 LYS 11 3HZ LYS 11 -3.110 3.536 -8.201 89 H ASP 12 H ASP 12 -1.387 3.956 -0.413 90 HA ASP 12 HA ASP 12 0.167 1.803 -1.161 91 HB2 ASP 12 2HB ASP 12 0.892 3.685 0.335 92 HB3 ASP 12 1HB ASP 12 0.017 2.912 1.655 93 H ILE 13 H ILE 13 -2.784 1.776 0.390 94 HA ILE 13 HA ILE 13 -2.756 -0.356 2.167 95 HB ILE 13 HB ILE 13 -4.682 1.074 0.430 96 HG12 ILE 13 2HG1 ILE 13 -3.921 1.367 2.967 97 HG13 ILE 13 1HG1 ILE 13 -5.569 1.724 2.455 98 HG21 ILE 13 1HG2 ILE 13 -6.506 -0.569 1.212 99 HG22 ILE 13 2HG2 ILE 13 -5.194 -1.720 1.457 100 HG23 ILE 13 3HG2 ILE 13 -5.504 -1.064 -0.150 101 HD11 ILE 13 1HD1 ILE 13 -4.766 -1.032 3.376 102 HD12 ILE 13 2HD1 ILE 13 -6.389 -0.345 3.265 103 HD13 ILE 13 3HD1 ILE 13 -5.278 0.209 4.519 104 H ALA 14 H ALA 14 -3.631 -0.355 -1.243 105 HA ALA 14 HA ALA 14 -4.042 -3.041 -1.683 106 HB1 ALA 14 1HB ALA 14 -3.658 -2.633 -3.999 107 HB2 ALA 14 2HB ALA 14 -2.582 -1.278 -3.653 108 HB3 ALA 14 3HB ALA 14 -4.313 -1.132 -3.342 109 H GLY 15 H GLY 15 -1.000 -1.320 -1.371 110 HA2 GLY 15 2HA GLY 15 0.669 -3.466 -2.270 111 HA3 GLY 15 1HA GLY 15 1.194 -2.043 -1.375 112 H HIS 16 H HIS 16 -0.514 -2.376 0.881 113 HA HIS 16 HA HIS 16 1.070 -4.122 2.460 114 HB2 HIS 16 2HB HIS 16 0.009 -2.211 3.486 115 HB3 HIS 16 1HB HIS 16 -1.588 -2.784 3.006 116 HD2 HIS 16 2HD HIS 16 -2.733 -4.637 4.754 117 HE1 HIS 16 1HE HIS 16 0.622 -5.143 7.268 118 HE2 HIS 16 2HE HIS 16 -1.834 -5.714 6.956 119 H LEU 17 H LEU 17 -2.295 -4.365 1.297 120 HA LEU 17 HA LEU 17 -2.753 -6.947 2.355 121 HB2 LEU 17 2HB LEU 17 -4.380 -5.078 1.459 122 HB3 LEU 17 1HB LEU 17 -4.185 -5.954 -0.050 123 HG LEU 17 HG LEU 17 -4.826 -8.062 1.149 124 HD11 LEU 17 1HD1 LEU 17 -4.933 -6.122 3.414 125 HD12 LEU 17 2HD1 LEU 17 -4.555 -7.844 3.423 126 HD13 LEU 17 3HD1 LEU 17 -6.232 -7.312 3.337 127 HD21 LEU 17 1HD2 LEU 17 -6.467 -6.836 -0.167 128 HD22 LEU 17 2HD2 LEU 17 -6.773 -5.739 1.179 129 HD23 LEU 17 3HD2 LEU 17 -7.243 -7.435 1.298 130 H ALA 18 H ALA 18 -1.580 -5.769 -0.759 131 HA ALA 18 HA ALA 18 -1.702 -8.188 -2.187 132 HB1 ALA 18 1HB ALA 18 0.140 -5.802 -2.407 133 HB2 ALA 18 2HB ALA 18 -1.255 -6.190 -3.414 134 HB3 ALA 18 3HB ALA 18 0.210 -7.166 -3.523 135 H SER 19 H SER 19 1.093 -6.737 -0.505 136 HA SER 19 HA SER 19 2.831 -8.894 -0.788 137 HB2 SER 19 2HB SER 19 4.195 -7.681 0.565 138 HB3 SER 19 1HB SER 19 2.944 -6.447 0.461 139 HG SER 19 HG SER 19 3.776 -7.708 2.603 140 H LYS 20 H LYS 20 0.299 -8.302 1.592 141 HA LYS 20 HA LYS 20 0.856 -10.517 3.261 142 HB2 LYS 20 2HB LYS 20 -1.283 -8.536 2.916 143 HB3 LYS 20 1HB LYS 20 -1.865 -10.092 3.493 144 HG2 LYS 20 2HG LYS 20 -0.230 -10.045 5.328 145 HG3 LYS 20 1HG LYS 20 0.411 -8.516 4.732 146 HD2 LYS 20 2HD LYS 20 -1.067 -7.778 6.381 147 HD3 LYS 20 1HD LYS 20 -2.086 -7.705 4.943 148 HE2 LYS 20 2HE LYS 20 -3.052 -9.888 5.474 149 HE3 LYS 20 1HE LYS 20 -1.974 -10.055 6.860 150 HZ1 LYS 20 1HZ LYS 20 -4.327 -8.355 6.526 151 HZ2 LYS 20 2HZ LYS 20 -3.046 -7.745 7.462 152 HZ3 LYS 20 3HZ LYS 20 -3.793 -9.211 7.890 153 H VAL 21 H VAL 21 -1.379 -10.056 0.539 154 HA VAL 21 HA VAL 21 -2.329 -12.748 0.566 155 HB VAL 21 HB VAL 21 -2.477 -10.669 -1.614 156 HG11 VAL 21 1HG1 VAL 21 -2.859 -12.844 -2.551 157 HG12 VAL 21 2HG1 VAL 21 -4.449 -12.127 -2.292 158 HG13 VAL 21 3HG1 VAL 21 -3.834 -13.337 -1.167 159 HG21 VAL 21 1HG2 VAL 21 -4.751 -11.472 0.181 160 HG22 VAL 21 2HG2 VAL 21 -4.480 -9.945 -0.659 161 HG23 VAL 21 3HG2 VAL 21 -3.556 -10.328 0.792 162 H MET 22 H MET 22 0.149 -11.007 -1.229 163 HA MET 22 HA MET 22 0.743 -12.960 -3.147 164 HB2 MET 22 2HB MET 22 2.021 -10.579 -2.076 165 HB3 MET 22 1HB MET 22 3.196 -11.801 -2.537 166 HG2 MET 22 2HG MET 22 2.684 -10.320 -4.440 167 HG3 MET 22 1HG MET 22 2.139 -11.971 -4.766 168 HE1 MET 22 1HE MET 22 -0.337 -9.499 -6.492 169 HE2 MET 22 2HE MET 22 0.205 -11.163 -6.697 170 HE3 MET 22 3HE MET 22 1.389 -9.884 -6.443 171 H ASN 23 H ASN 23 2.214 -12.424 0.047 172 HA ASN 23 HA ASN 23 4.004 -14.557 0.036 173 HB2 ASN 23 2HB ASN 23 4.115 -12.890 1.759 174 HB3 ASN 23 1HB ASN 23 2.503 -13.313 2.314 175 HD21 ASN 23 1HD2 ASN 23 2.472 -14.718 4.073 176 HD22 ASN 23 2HD2 ASN 23 3.715 -15.805 4.466 177 H LYS 24 H LYS 24 0.582 -14.472 0.892 178 HA LYS 24 HA LYS 24 0.336 -17.053 1.958 179 HB2 LYS 24 2HB LYS 24 -1.401 -15.192 1.952 180 HB3 LYS 24 1HB LYS 24 -1.776 -15.674 0.297 181 HG2 LYS 24 2HG LYS 24 -2.327 -17.932 1.033 182 HG3 LYS 24 1HG LYS 24 -1.843 -17.541 2.684 183 HD2 LYS 24 2HD LYS 24 -3.606 -15.751 2.709 184 HD3 LYS 24 1HD LYS 24 -4.151 -16.333 1.134 185 HE2 LYS 24 2HE LYS 24 -4.733 -18.481 2.037 186 HE3 LYS 24 1HE LYS 24 -3.943 -18.117 3.571 187 HZ1 LYS 24 1HZ LYS 24 -6.108 -16.381 2.598 188 HZ2 LYS 24 2HZ LYS 24 -5.602 -16.679 4.192 189 HZ3 LYS 24 3HZ LYS 24 -6.493 -17.853 3.347 190 H LEU 25 H LEU 25 0.407 -15.914 -1.369 191 HA LEU 25 HA LEU 25 -0.486 -18.281 -2.608 192 HB2 LEU 25 2HB LEU 25 -0.108 -15.850 -3.535 193 HB3 LEU 25 1HB LEU 25 1.494 -16.481 -3.911 194 HG LEU 25 HG LEU 25 0.091 -16.818 -5.851 195 HD11 LEU 25 1HD1 LEU 25 0.227 -19.497 -4.458 196 HD12 LEU 25 2HD1 LEU 25 1.664 -18.669 -5.059 197 HD13 LEU 25 3HD1 LEU 25 0.394 -19.157 -6.179 198 HD21 LEU 25 1HD2 LEU 25 -2.081 -17.578 -5.805 199 HD22 LEU 25 2HD2 LEU 25 -2.023 -16.909 -4.176 200 HD23 LEU 25 3HD2 LEU 25 -1.799 -18.639 -4.426 201 HN1 NH2 26 HN1 NH2 26 2.908 -17.092 -2.746 202 HN2 NH2 26 HN2 NH2 26 3.604 -18.643 -2.604 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 6.027 17.205 -0.120 2 H2 GLY 1 2HT GLY 1 5.866 18.726 -0.859 3 H3 GLY 1 3HT GLY 1 5.091 17.369 -1.524 4 HA2 GLY 1 2HA GLY 1 4.432 18.830 0.961 5 HA3 GLY 1 1HA GLY 1 3.392 18.509 -0.429 6 H VAL 2 H VAL 2 3.694 17.689 2.648 7 HA VAL 2 HA VAL 2 3.690 14.842 2.640 8 HB VAL 2 HB VAL 2 2.668 15.130 4.931 9 HG11 VAL 2 1HG1 VAL 2 4.696 16.162 5.879 10 HG12 VAL 2 2HG1 VAL 2 5.113 16.811 4.294 11 HG13 VAL 2 3HG1 VAL 2 5.114 15.067 4.561 12 HG21 VAL 2 1HG2 VAL 2 3.057 18.077 4.337 13 HG22 VAL 2 2HG2 VAL 2 2.401 17.365 5.811 14 HG23 VAL 2 3HG2 VAL 2 1.485 17.277 4.306 15 H VAL 3 H VAL 3 1.235 17.274 2.139 16 HA VAL 3 HA VAL 3 -1.078 15.771 2.627 17 HB VAL 3 HB VAL 3 -1.113 18.194 2.225 18 HG11 VAL 3 1HG1 VAL 3 0.649 18.056 0.388 19 HG12 VAL 3 2HG1 VAL 3 -0.710 19.130 0.056 20 HG13 VAL 3 3HG1 VAL 3 -0.644 17.536 -0.692 21 HG21 VAL 3 1HG2 VAL 3 -3.116 16.680 1.751 22 HG22 VAL 3 2HG2 VAL 3 -2.683 16.794 0.045 23 HG23 VAL 3 3HG2 VAL 3 -3.136 18.246 0.940 24 H ASP 4 H ASP 4 0.973 15.989 -0.247 25 HA ASP 4 HA ASP 4 -0.729 14.383 -1.898 26 HB2 ASP 4 2HB ASP 4 1.035 16.038 -2.689 27 HB3 ASP 4 1HB ASP 4 2.237 14.811 -2.267 28 H ILE 5 H ILE 5 1.907 13.749 0.322 29 HA ILE 5 HA ILE 5 2.234 11.000 -0.506 30 HB ILE 5 HB ILE 5 3.273 12.477 1.921 31 HG12 ILE 5 2HG1 ILE 5 4.742 11.659 -0.600 32 HG13 ILE 5 1HG1 ILE 5 4.008 13.257 -0.396 33 HG21 ILE 5 1HG2 ILE 5 4.924 10.547 1.926 34 HG22 ILE 5 2HG2 ILE 5 3.866 9.739 0.770 35 HG23 ILE 5 3HG2 ILE 5 3.276 10.117 2.388 36 HD11 ILE 5 1HD1 ILE 5 6.472 13.100 0.229 37 HD12 ILE 5 2HD1 ILE 5 5.977 12.092 1.588 38 HD13 ILE 5 3HD1 ILE 5 5.415 13.761 1.476 39 H LEU 6 H LEU 6 0.378 12.761 1.835 40 HA LEU 6 HA LEU 6 -0.281 10.522 3.494 41 HB2 LEU 6 2HB LEU 6 -1.113 13.371 3.247 42 HB3 LEU 6 1HB LEU 6 -2.254 12.273 4.032 43 HG LEU 6 HG LEU 6 0.645 12.214 4.842 44 HD11 LEU 6 1HD1 LEU 6 0.175 13.932 6.551 45 HD12 LEU 6 2HD1 LEU 6 -1.434 14.172 5.869 46 HD13 LEU 6 3HD1 LEU 6 -0.005 14.593 4.926 47 HD21 LEU 6 1HD2 LEU 6 -0.385 11.571 7.011 48 HD22 LEU 6 2HD2 LEU 6 -0.893 10.497 5.709 49 HD23 LEU 6 3HD2 LEU 6 -1.985 11.752 6.292 50 H LYS 7 H LYS 7 -1.532 11.881 0.551 51 HA LYS 7 HA LYS 7 -4.088 10.557 0.704 52 HB2 LYS 7 2HB LYS 7 -2.813 12.413 -1.168 53 HB3 LYS 7 1HB LYS 7 -3.673 11.120 -1.995 54 HG2 LYS 7 2HG LYS 7 -5.192 12.975 -1.571 55 HG3 LYS 7 1HG LYS 7 -5.676 11.592 -0.599 56 HD2 LYS 7 2HD LYS 7 -4.965 12.567 1.392 57 HD3 LYS 7 1HD LYS 7 -3.773 13.588 0.589 58 HE2 LYS 7 2HE LYS 7 -5.919 14.724 1.495 59 HE3 LYS 7 1HE LYS 7 -5.409 15.124 -0.145 60 HZ1 LYS 7 1HZ LYS 7 -6.939 12.951 -0.540 61 HZ2 LYS 7 2HZ LYS 7 -7.487 14.553 -0.678 62 HZ3 LYS 7 3HZ LYS 7 -7.741 13.687 0.761 63 H GLY 8 H GLY 8 -0.916 9.754 -0.539 64 HA2 GLY 8 2HA GLY 8 -1.693 7.593 -2.210 65 HA3 GLY 8 1HA GLY 8 -0.089 7.849 -1.531 66 H ALA 9 H ALA 9 -0.778 7.809 1.208 67 HA ALA 9 HA ALA 9 -0.654 5.067 1.780 68 HB1 ALA 9 1HB ALA 9 0.086 6.909 3.305 69 HB2 ALA 9 2HB ALA 9 -0.916 5.695 4.099 70 HB3 ALA 9 3HB ALA 9 -1.611 7.250 3.642 71 H ALA 10 H ALA 10 -3.384 7.224 1.410 72 HA ALA 10 HA ALA 10 -5.369 5.705 2.675 73 HB1 ALA 10 1HB ALA 10 -5.663 7.383 0.171 74 HB2 ALA 10 2HB ALA 10 -5.693 8.016 1.817 75 HB3 ALA 10 3HB ALA 10 -6.956 6.910 1.273 76 H LYS 11 H LYS 11 -4.366 5.695 -0.744 77 HA LYS 11 HA LYS 11 -5.969 3.388 -1.338 78 HB2 LYS 11 2HB LYS 11 -5.640 5.112 -3.006 79 HB3 LYS 11 1HB LYS 11 -3.918 4.813 -2.951 80 HG2 LYS 11 2HG LYS 11 -4.045 2.915 -4.205 81 HG3 LYS 11 1HG LYS 11 -5.550 2.413 -3.445 82 HD2 LYS 11 2HD LYS 11 -6.784 4.069 -4.707 83 HD3 LYS 11 1HD LYS 11 -5.291 4.620 -5.450 84 HE2 LYS 11 2HE LYS 11 -6.624 1.929 -5.789 85 HE3 LYS 11 1HE LYS 11 -6.309 3.134 -7.035 86 HZ1 LYS 11 1HZ LYS 11 -3.859 2.696 -5.999 87 HZ2 LYS 11 2HZ LYS 11 -4.466 1.962 -7.405 88 HZ3 LYS 11 3HZ LYS 11 -4.552 1.150 -5.914 89 H ASP 12 H ASP 12 -2.685 3.999 -0.401 90 HA ASP 12 HA ASP 12 -1.274 1.841 -1.343 91 HB2 ASP 12 2HB ASP 12 -0.276 3.482 0.178 92 HB3 ASP 12 1HB ASP 12 -1.266 2.875 1.505 93 H ILE 13 H ILE 13 -4.148 1.791 0.213 94 HA ILE 13 HA ILE 13 -4.243 -0.421 1.888 95 HB ILE 13 HB ILE 13 -6.156 0.900 -0.021 96 HG12 ILE 13 2HG1 ILE 13 -6.325 0.582 2.972 97 HG13 ILE 13 1HG1 ILE 13 -5.444 1.909 2.216 98 HG21 ILE 13 1HG2 ILE 13 -6.594 -1.609 1.576 99 HG22 ILE 13 2HG2 ILE 13 -7.002 -1.284 -0.109 100 HG23 ILE 13 3HG2 ILE 13 -7.931 -0.527 1.184 101 HD11 ILE 13 1HD1 ILE 13 -8.395 1.299 2.114 102 HD12 ILE 13 2HD1 ILE 13 -7.641 2.300 0.874 103 HD13 ILE 13 3HD1 ILE 13 -7.598 2.806 2.563 104 H ALA 14 H ALA 14 -4.924 -0.225 -1.593 105 HA ALA 14 HA ALA 14 -5.347 -2.935 -2.093 106 HB1 ALA 14 1HB ALA 14 -4.023 -0.984 -3.987 107 HB2 ALA 14 2HB ALA 14 -5.762 -1.054 -3.700 108 HB3 ALA 14 3HB ALA 14 -4.931 -2.435 -4.416 109 H GLY 15 H GLY 15 -2.325 -1.086 -2.065 110 HA2 GLY 15 2HA GLY 15 -0.678 -3.276 -2.896 111 HA3 GLY 15 1HA GLY 15 -0.120 -1.758 -2.201 112 H HIS 16 H HIS 16 -1.808 -2.050 0.192 113 HA HIS 16 HA HIS 16 0.040 -3.376 1.869 114 HB2 HIS 16 2HB HIS 16 -1.353 -1.587 2.727 115 HB3 HIS 16 1HB HIS 16 -2.814 -2.512 2.379 116 HD2 HIS 16 2HD HIS 16 -3.235 -4.768 4.130 117 HE1 HIS 16 1HE HIS 16 -0.277 -3.618 6.915 118 HE2 HIS 16 2HE HIS 16 -2.228 -5.191 6.502 119 H LEU 17 H LEU 17 -3.244 -4.322 0.823 120 HA LEU 17 HA LEU 17 -3.195 -6.830 2.132 121 HB2 LEU 17 2HB LEU 17 -5.293 -7.146 1.222 122 HB3 LEU 17 1HB LEU 17 -5.174 -5.396 1.144 123 HG LEU 17 HG LEU 17 -4.135 -5.843 -1.231 124 HD11 LEU 17 1HD1 LEU 17 -5.951 -8.096 -1.587 125 HD12 LEU 17 2HD1 LEU 17 -4.665 -8.495 -0.452 126 HD13 LEU 17 3HD1 LEU 17 -4.265 -7.934 -2.073 127 HD21 LEU 17 1HD2 LEU 17 -7.089 -6.216 -0.645 128 HD22 LEU 17 2HD2 LEU 17 -6.410 -5.738 -2.201 129 HD23 LEU 17 3HD2 LEU 17 -6.258 -4.668 -0.807 130 H ALA 18 H ALA 18 -2.070 -5.724 -0.992 131 HA ALA 18 HA ALA 18 -1.836 -8.255 -2.248 132 HB1 ALA 18 1HB ALA 18 -1.685 -6.266 -3.597 133 HB2 ALA 18 2HB ALA 18 -0.124 -7.082 -3.680 134 HB3 ALA 18 3HB ALA 18 -0.324 -5.665 -2.649 135 H SER 19 H SER 19 0.684 -6.245 -0.697 136 HA SER 19 HA SER 19 2.736 -8.106 -0.769 137 HB2 SER 19 2HB SER 19 3.852 -6.605 0.524 138 HB3 SER 19 1HB SER 19 2.428 -5.595 0.296 139 HG SER 19 HG SER 19 1.630 -6.919 2.204 140 H LYS 20 H LYS 20 0.015 -7.837 1.431 141 HA LYS 20 HA LYS 20 0.866 -9.737 3.340 142 HB2 LYS 20 2HB LYS 20 -1.533 -8.226 2.721 143 HB3 LYS 20 1HB LYS 20 -1.943 -9.867 3.207 144 HG2 LYS 20 2HG LYS 20 -0.582 -9.613 5.246 145 HG3 LYS 20 1HG LYS 20 -0.148 -7.974 4.757 146 HD2 LYS 20 2HD LYS 20 -2.461 -7.257 4.894 147 HD3 LYS 20 1HD LYS 20 -2.996 -8.910 5.201 148 HE2 LYS 20 2HE LYS 20 -1.559 -8.898 7.279 149 HE3 LYS 20 1HE LYS 20 -1.287 -7.177 7.005 150 HZ1 LYS 20 1HZ LYS 20 -3.157 -7.723 8.542 151 HZ2 LYS 20 2HZ LYS 20 -3.986 -8.384 7.215 152 HZ3 LYS 20 3HZ LYS 20 -3.584 -6.734 7.232 153 H VAL 21 H VAL 21 -1.290 -10.017 0.524 154 HA VAL 21 HA VAL 21 -1.524 -12.854 0.727 155 HB VAL 21 HB VAL 21 -2.136 -11.060 -1.620 156 HG11 VAL 21 1HG1 VAL 21 -3.714 -12.982 -2.133 157 HG12 VAL 21 2HG1 VAL 21 -2.873 -13.904 -0.887 158 HG13 VAL 21 3HG1 VAL 21 -2.001 -13.357 -2.318 159 HG21 VAL 21 1HG2 VAL 21 -4.324 -10.834 -0.745 160 HG22 VAL 21 2HG2 VAL 21 -3.295 -10.624 0.669 161 HG23 VAL 21 3HG2 VAL 21 -4.103 -12.165 0.390 162 H MET 22 H MET 22 0.466 -10.668 -1.200 163 HA MET 22 HA MET 22 1.565 -12.567 -2.947 164 HB2 MET 22 2HB MET 22 2.179 -9.849 -2.106 165 HB3 MET 22 1HB MET 22 3.625 -10.767 -2.492 166 HG2 MET 22 2HG MET 22 2.750 -9.634 -4.498 167 HG3 MET 22 1HG MET 22 2.638 -11.392 -4.674 168 HE1 MET 22 1HE MET 22 1.329 -10.197 -6.615 169 HE2 MET 22 2HE MET 22 -0.431 -10.285 -6.599 170 HE3 MET 22 3HE MET 22 0.520 -11.749 -6.358 171 H ASN 23 H ASN 23 2.793 -11.386 0.177 172 HA ASN 23 HA ASN 23 5.085 -12.937 0.357 173 HB2 ASN 23 2HB ASN 23 4.214 -11.100 1.934 174 HB3 ASN 23 1HB ASN 23 3.348 -12.406 2.728 175 HD21 ASN 23 1HD2 ASN 23 5.823 -10.722 3.547 176 HD22 ASN 23 2HD2 ASN 23 6.956 -11.895 4.016 177 H LYS 24 H LYS 24 1.743 -13.777 1.136 178 HA LYS 24 HA LYS 24 2.213 -16.249 2.379 179 HB2 LYS 24 2HB LYS 24 0.018 -15.042 2.302 180 HB3 LYS 24 1HB LYS 24 -0.142 -15.539 0.617 181 HG2 LYS 24 2HG LYS 24 0.532 -17.884 2.075 182 HG3 LYS 24 1HG LYS 24 -0.717 -17.062 3.009 183 HD2 LYS 24 2HD LYS 24 -2.106 -16.897 0.942 184 HD3 LYS 24 1HD LYS 24 -0.878 -17.821 0.077 185 HE2 LYS 24 2HE LYS 24 -2.437 -19.464 0.730 186 HE3 LYS 24 1HE LYS 24 -1.178 -19.584 1.958 187 HZ1 LYS 24 1HZ LYS 24 -3.241 -17.650 2.537 188 HZ2 LYS 24 2HZ LYS 24 -2.537 -18.824 3.542 189 HZ3 LYS 24 3HZ LYS 24 -3.790 -19.254 2.479 190 H LEU 25 H LEU 25 1.855 -15.395 -1.038 191 HA LEU 25 HA LEU 25 1.880 -18.033 -2.040 192 HB2 LEU 25 2HB LEU 25 1.254 -15.738 -3.163 193 HB3 LEU 25 1HB LEU 25 2.959 -15.747 -3.609 194 HG LEU 25 HG LEU 25 1.714 -16.772 -5.411 195 HD11 LEU 25 1HD1 LEU 25 3.912 -17.800 -4.606 196 HD12 LEU 25 2HD1 LEU 25 2.884 -18.836 -5.595 197 HD13 LEU 25 3HD1 LEU 25 2.931 -19.054 -3.847 198 HD21 LEU 25 1HD2 LEU 25 0.006 -18.291 -5.148 199 HD22 LEU 25 2HD2 LEU 25 -0.127 -17.505 -3.577 200 HD23 LEU 25 3HD2 LEU 25 0.735 -19.035 -3.727 201 HN1 NH2 26 HN1 NH2 26 4.545 -15.637 -2.413 202 HN2 NH2 26 HN2 NH2 26 5.791 -16.792 -2.250 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 3.022 18.766 0.391 2 H2 GLY 1 2HT GLY 1 4.284 19.582 -0.401 3 H3 GLY 1 3HT GLY 1 4.506 18.997 1.178 4 HA2 GLY 1 2HA GLY 1 4.253 17.434 -1.325 5 HA3 GLY 1 1HA GLY 1 5.622 17.483 -0.214 6 H VAL 2 H VAL 2 5.032 16.865 2.114 7 HA VAL 2 HA VAL 2 4.300 14.230 2.302 8 HB VAL 2 HB VAL 2 3.749 14.745 4.720 9 HG11 VAL 2 1HG1 VAL 2 6.298 15.739 3.426 10 HG12 VAL 2 2HG1 VAL 2 6.009 14.173 4.184 11 HG13 VAL 2 3HG1 VAL 2 6.101 15.629 5.175 12 HG21 VAL 2 1HG2 VAL 2 4.568 17.552 3.924 13 HG22 VAL 2 2HG2 VAL 2 4.024 17.004 5.509 14 HG23 VAL 2 3HG2 VAL 2 2.889 17.069 4.162 15 H VAL 3 H VAL 3 2.220 17.026 2.113 16 HA VAL 3 HA VAL 3 -0.180 15.937 3.066 17 HB VAL 3 HB VAL 3 0.220 18.346 2.499 18 HG11 VAL 3 1HG1 VAL 3 -0.366 17.499 -0.345 19 HG12 VAL 3 2HG1 VAL 3 1.279 17.738 0.246 20 HG13 VAL 3 3HG1 VAL 3 0.143 19.086 0.232 21 HG21 VAL 3 1HG2 VAL 3 -2.066 18.717 1.619 22 HG22 VAL 3 2HG2 VAL 3 -2.057 17.475 2.871 23 HG23 VAL 3 3HG2 VAL 3 -2.164 17.013 1.172 24 H ASP 4 H ASP 4 1.350 15.754 -0.114 25 HA ASP 4 HA ASP 4 -0.859 14.428 -1.376 26 HB2 ASP 4 2HB ASP 4 0.975 15.775 -2.528 27 HB3 ASP 4 1HB ASP 4 2.018 14.366 -2.288 28 H ILE 5 H ILE 5 2.365 13.314 -0.319 29 HA ILE 5 HA ILE 5 2.155 10.634 -0.888 30 HB ILE 5 HB ILE 5 3.428 11.929 1.531 31 HG12 ILE 5 2HG1 ILE 5 4.681 10.949 -1.051 32 HG13 ILE 5 1HG1 ILE 5 4.189 12.628 -0.791 33 HG21 ILE 5 1HG2 ILE 5 4.846 9.798 1.440 34 HG22 ILE 5 2HG2 ILE 5 3.594 9.131 0.393 35 HG23 ILE 5 3HG2 ILE 5 3.200 9.608 2.044 36 HD11 ILE 5 1HD1 ILE 5 5.734 12.892 1.021 37 HD12 ILE 5 2HD1 ILE 5 6.632 12.111 -0.280 38 HD13 ILE 5 3HD1 ILE 5 6.054 11.159 1.087 39 H LEU 6 H LEU 6 0.553 12.439 1.602 40 HA LEU 6 HA LEU 6 -0.248 10.216 3.204 41 HB2 LEU 6 2HB LEU 6 -0.896 13.120 3.031 42 HB3 LEU 6 1HB LEU 6 -2.073 12.080 3.837 43 HG LEU 6 HG LEU 6 0.841 11.826 4.541 44 HD11 LEU 6 1HD1 LEU 6 0.538 13.539 6.297 45 HD12 LEU 6 2HD1 LEU 6 -1.072 13.894 5.670 46 HD13 LEU 6 3HD1 LEU 6 0.352 14.239 4.688 47 HD21 LEU 6 1HD2 LEU 6 -0.001 10.932 6.567 48 HD22 LEU 6 2HD2 LEU 6 -1.100 10.299 5.342 49 HD23 LEU 6 3HD2 LEU 6 -1.585 11.672 6.337 50 H LYS 7 H LYS 7 -1.984 12.246 0.843 51 HA LYS 7 HA LYS 7 -4.432 10.972 0.862 52 HB2 LYS 7 2HB LYS 7 -3.060 12.746 -0.994 53 HB3 LYS 7 1HB LYS 7 -3.981 11.528 -1.860 54 HG2 LYS 7 2HG LYS 7 -5.448 13.387 -1.451 55 HG3 LYS 7 1HG LYS 7 -5.955 12.080 -0.389 56 HD2 LYS 7 2HD LYS 7 -5.005 13.103 1.519 57 HD3 LYS 7 1HD LYS 7 -3.996 14.177 0.550 58 HE2 LYS 7 2HE LYS 7 -6.131 15.168 1.652 59 HE3 LYS 7 1HE LYS 7 -5.810 15.556 -0.038 60 HZ1 LYS 7 1HZ LYS 7 -7.295 13.118 0.347 61 HZ2 LYS 7 2HZ LYS 7 -7.584 14.410 -0.717 62 HZ3 LYS 7 3HZ LYS 7 -8.108 14.502 0.896 63 H GLY 8 H GLY 8 -1.422 9.867 -0.536 64 HA2 GLY 8 2HA GLY 8 -2.561 7.781 -2.134 65 HA3 GLY 8 1HA GLY 8 -0.866 7.943 -1.686 66 H ALA 9 H ALA 9 -1.165 7.952 1.123 67 HA ALA 9 HA ALA 9 -0.994 5.282 1.783 68 HB1 ALA 9 1HB ALA 9 -0.405 7.312 3.217 69 HB2 ALA 9 2HB ALA 9 -1.117 5.937 4.062 70 HB3 ALA 9 3HB ALA 9 -2.106 7.347 3.681 71 H ALA 10 H ALA 10 -3.863 7.260 1.446 72 HA ALA 10 HA ALA 10 -5.711 5.621 2.775 73 HB1 ALA 10 1HB ALA 10 -6.282 7.871 1.993 74 HB2 ALA 10 2HB ALA 10 -7.406 6.687 1.324 75 HB3 ALA 10 3HB ALA 10 -6.115 7.346 0.319 76 H LYS 11 H LYS 11 -4.802 5.676 -0.669 77 HA LYS 11 HA LYS 11 -6.267 3.274 -1.232 78 HB2 LYS 11 2HB LYS 11 -6.074 5.032 -2.895 79 HB3 LYS 11 1HB LYS 11 -4.338 4.817 -2.888 80 HG2 LYS 11 2HG LYS 11 -4.407 2.925 -4.154 81 HG3 LYS 11 1HG LYS 11 -5.860 2.339 -3.352 82 HD2 LYS 11 2HD LYS 11 -7.214 3.945 -4.564 83 HD3 LYS 11 1HD LYS 11 -5.771 4.563 -5.354 84 HE2 LYS 11 2HE LYS 11 -5.389 2.449 -6.473 85 HE3 LYS 11 1HE LYS 11 -6.689 1.685 -5.558 86 HZ1 LYS 11 1HZ LYS 11 -7.815 3.902 -6.732 87 HZ2 LYS 11 2HZ LYS 11 -8.037 2.282 -7.193 88 HZ3 LYS 11 3HZ LYS 11 -6.837 3.225 -7.941 89 H ASP 12 H ASP 12 -3.018 4.090 -0.348 90 HA ASP 12 HA ASP 12 -1.476 2.042 -1.329 91 HB2 ASP 12 2HB ASP 12 -0.547 3.712 0.187 92 HB3 ASP 12 1HB ASP 12 -1.512 3.074 1.519 93 H ILE 13 H ILE 13 -4.315 1.792 0.276 94 HA ILE 13 HA ILE 13 -4.241 -0.447 1.918 95 HB ILE 13 HB ILE 13 -6.270 0.775 0.062 96 HG12 ILE 13 2HG1 ILE 13 -6.369 0.414 3.052 97 HG13 ILE 13 1HG1 ILE 13 -5.575 1.798 2.301 98 HG21 ILE 13 1HG2 ILE 13 -6.516 -1.775 1.635 99 HG22 ILE 13 2HG2 ILE 13 -6.982 -1.456 -0.037 100 HG23 ILE 13 3HG2 ILE 13 -7.927 -0.774 1.286 101 HD11 ILE 13 1HD1 ILE 13 -8.488 1.020 2.225 102 HD12 ILE 13 2HD1 ILE 13 -7.808 2.085 0.998 103 HD13 ILE 13 3HD1 ILE 13 -7.776 2.562 2.694 104 H ALA 14 H ALA 14 -4.991 -0.239 -1.549 105 HA ALA 14 HA ALA 14 -5.265 -2.956 -2.098 106 HB1 ALA 14 1HB ALA 14 -3.998 -0.994 -4.010 107 HB2 ALA 14 2HB ALA 14 -5.723 -0.976 -3.643 108 HB3 ALA 14 3HB ALA 14 -4.996 -2.397 -4.392 109 H GLY 15 H GLY 15 -2.356 -0.973 -1.889 110 HA2 GLY 15 2HA GLY 15 -0.567 -2.989 -2.858 111 HA3 GLY 15 1HA GLY 15 -0.114 -1.511 -2.016 112 H HIS 16 H HIS 16 -1.843 -2.112 0.293 113 HA HIS 16 HA HIS 16 0.049 -3.499 1.881 114 HB2 HIS 16 2HB HIS 16 -1.391 -1.844 2.888 115 HB3 HIS 16 1HB HIS 16 -2.831 -2.745 2.415 116 HD2 HIS 16 2HD HIS 16 -3.501 -4.880 4.116 117 HE1 HIS 16 1HE HIS 16 -0.215 -4.485 6.735 118 HE2 HIS 16 2HE HIS 16 -2.425 -5.677 6.357 119 H LEU 17 H LEU 17 -3.195 -4.469 0.728 120 HA LEU 17 HA LEU 17 -3.117 -7.052 1.850 121 HB2 LEU 17 2HB LEU 17 -5.138 -7.391 0.779 122 HB3 LEU 17 1HB LEU 17 -5.087 -5.637 0.836 123 HG LEU 17 HG LEU 17 -3.894 -5.855 -1.492 124 HD11 LEU 17 1HD1 LEU 17 -4.386 -8.591 -0.934 125 HD12 LEU 17 2HD1 LEU 17 -3.805 -7.896 -2.443 126 HD13 LEU 17 3HD1 LEU 17 -5.531 -8.137 -2.193 127 HD21 LEU 17 1HD2 LEU 17 -6.853 -6.458 -1.190 128 HD22 LEU 17 2HD2 LEU 17 -6.079 -5.735 -2.599 129 HD23 LEU 17 3HD2 LEU 17 -6.133 -4.853 -1.073 130 H ALA 18 H ALA 18 -1.847 -5.735 -1.137 131 HA ALA 18 HA ALA 18 -1.452 -8.180 -2.514 132 HB1 ALA 18 1HB ALA 18 0.363 -6.856 -3.716 133 HB2 ALA 18 2HB ALA 18 -0.057 -5.504 -2.665 134 HB3 ALA 18 3HB ALA 18 -1.258 -6.164 -3.775 135 H SER 19 H SER 19 0.898 -6.202 -0.682 136 HA SER 19 HA SER 19 3.003 -8.007 -0.723 137 HB2 SER 19 2HB SER 19 3.992 -6.547 0.711 138 HB3 SER 19 1HB SER 19 2.555 -5.565 0.453 139 HG SER 19 HG SER 19 3.359 -6.996 2.651 140 H LYS 20 H LYS 20 0.184 -7.872 1.388 141 HA LYS 20 HA LYS 20 0.961 -9.881 3.204 142 HB2 LYS 20 2HB LYS 20 -1.463 -8.403 2.512 143 HB3 LYS 20 1HB LYS 20 -1.813 -10.052 3.015 144 HG2 LYS 20 2HG LYS 20 -0.498 -9.713 5.072 145 HG3 LYS 20 1HG LYS 20 -0.117 -8.069 4.562 146 HD2 LYS 20 2HD LYS 20 -1.945 -7.663 5.935 147 HD3 LYS 20 1HD LYS 20 -2.754 -7.854 4.381 148 HE2 LYS 20 2HE LYS 20 -3.214 -10.215 4.889 149 HE3 LYS 20 1HE LYS 20 -2.366 -10.061 6.428 150 HZ1 LYS 20 1HZ LYS 20 -4.893 -9.822 6.421 151 HZ2 LYS 20 2HZ LYS 20 -4.624 -8.286 5.747 152 HZ3 LYS 20 3HZ LYS 20 -3.994 -8.668 7.278 153 H VAL 21 H VAL 21 -1.018 -10.027 0.247 154 HA VAL 21 HA VAL 21 -1.256 -12.871 0.306 155 HB VAL 21 HB VAL 21 -1.731 -10.951 -1.969 156 HG11 VAL 21 1HG1 VAL 21 -3.209 -12.878 -2.725 157 HG12 VAL 21 2HG1 VAL 21 -2.411 -13.862 -1.498 158 HG13 VAL 21 3HG1 VAL 21 -1.475 -13.176 -2.827 159 HG21 VAL 21 1HG2 VAL 21 -3.798 -12.257 -0.192 160 HG22 VAL 21 2HG2 VAL 21 -3.989 -10.861 -1.252 161 HG23 VAL 21 3HG2 VAL 21 -3.070 -10.712 0.246 162 H MET 22 H MET 22 0.833 -10.597 -1.400 163 HA MET 22 HA MET 22 2.071 -12.412 -3.139 164 HB2 MET 22 2HB MET 22 2.596 -9.726 -2.147 165 HB3 MET 22 1HB MET 22 4.075 -10.615 -2.481 166 HG2 MET 22 2HG MET 22 1.762 -10.387 -4.429 167 HG3 MET 22 1HG MET 22 3.186 -9.338 -4.460 168 HE1 MET 22 1HE MET 22 3.879 -11.360 -7.504 169 HE2 MET 22 2HE MET 22 2.924 -10.060 -6.796 170 HE3 MET 22 3HE MET 22 2.216 -11.663 -6.985 171 H ASN 23 H ASN 23 3.078 -11.347 0.105 172 HA ASN 23 HA ASN 23 5.307 -13.087 0.273 173 HB2 ASN 23 2HB ASN 23 4.696 -10.979 1.679 174 HB3 ASN 23 1HB ASN 23 3.835 -12.137 2.682 175 HD21 ASN 23 1HD2 ASN 23 5.068 -13.476 4.079 176 HD22 ASN 23 2HD2 ASN 23 6.763 -13.443 4.143 177 H LYS 24 H LYS 24 1.951 -13.347 1.359 178 HA LYS 24 HA LYS 24 2.181 -15.747 2.799 179 HB2 LYS 24 2HB LYS 24 0.195 -14.280 2.874 180 HB3 LYS 24 1HB LYS 24 -0.192 -14.733 1.215 181 HG2 LYS 24 2HG LYS 24 0.251 -17.037 3.012 182 HG3 LYS 24 1HG LYS 24 -1.133 -16.039 3.455 183 HD2 LYS 24 2HD LYS 24 -2.085 -16.271 1.235 184 HD3 LYS 24 1HD LYS 24 -0.649 -17.120 0.663 185 HE2 LYS 24 2HE LYS 24 -2.485 -18.696 1.201 186 HE3 LYS 24 1HE LYS 24 -1.082 -18.954 2.238 187 HZ1 LYS 24 1HZ LYS 24 -2.133 -18.054 4.044 188 HZ2 LYS 24 2HZ LYS 24 -3.451 -18.780 3.257 189 HZ3 LYS 24 3HZ LYS 24 -3.189 -17.107 3.115 190 H LEU 25 H LEU 25 1.412 -15.171 -0.627 191 HA LEU 25 HA LEU 25 1.056 -17.877 -1.323 192 HB2 LEU 25 2HB LEU 25 0.483 -15.647 -2.592 193 HB3 LEU 25 1HB LEU 25 2.091 -15.883 -3.273 194 HG LEU 25 HG LEU 25 0.496 -16.935 -4.755 195 HD11 LEU 25 1HD1 LEU 25 1.423 -19.126 -4.871 196 HD12 LEU 25 2HD1 LEU 25 1.716 -19.176 -3.134 197 HD13 LEU 25 3HD1 LEU 25 2.683 -18.117 -4.163 198 HD21 LEU 25 1HD2 LEU 25 -1.106 -17.281 -2.610 199 HD22 LEU 25 2HD2 LEU 25 -0.426 -18.905 -2.709 200 HD23 LEU 25 3HD2 LEU 25 -1.288 -18.224 -4.087 201 HN1 NH2 26 HN1 NH2 26 3.867 -15.805 -2.225 202 HN2 NH2 26 HN2 NH2 26 5.000 -17.079 -2.161 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 6.405 18.833 -0.425 2 H2 GLY 1 2HT GLY 1 5.694 18.247 1.004 3 H3 GLY 1 3HT GLY 1 5.102 19.664 0.276 4 HA2 GLY 1 2HA GLY 1 3.703 18.516 -0.974 5 HA3 GLY 1 1HA GLY 1 5.049 17.567 -1.608 6 H VAL 2 H VAL 2 4.204 17.770 1.798 7 HA VAL 2 HA VAL 2 4.141 14.930 2.078 8 HB VAL 2 HB VAL 2 4.834 16.493 3.890 9 HG11 VAL 2 1HG1 VAL 2 2.965 18.144 3.362 10 HG12 VAL 2 2HG1 VAL 2 3.204 17.794 5.075 11 HG13 VAL 2 3HG1 VAL 2 1.872 17.041 4.198 12 HG21 VAL 2 1HG2 VAL 2 4.049 14.156 4.343 13 HG22 VAL 2 2HG2 VAL 2 2.425 14.791 4.604 14 HG23 VAL 2 3HG2 VAL 2 3.739 15.259 5.684 15 H VAL 3 H VAL 3 1.729 17.403 1.559 16 HA VAL 3 HA VAL 3 -0.584 16.086 2.392 17 HB VAL 3 HB VAL 3 -0.346 17.849 -0.055 18 HG11 VAL 3 1HG1 VAL 3 -2.594 17.214 1.879 19 HG12 VAL 3 2HG1 VAL 3 -2.524 16.802 0.166 20 HG13 VAL 3 3HG1 VAL 3 -2.670 18.487 0.662 21 HG21 VAL 3 1HG2 VAL 3 -0.905 19.675 1.637 22 HG22 VAL 3 2HG2 VAL 3 0.733 19.028 1.734 23 HG23 VAL 3 3HG2 VAL 3 -0.490 18.513 2.897 24 H ASP 4 H ASP 4 1.418 15.585 -0.419 25 HA ASP 4 HA ASP 4 -0.476 14.077 -1.935 26 HB2 ASP 4 2HB ASP 4 1.451 15.129 -3.007 27 HB3 ASP 4 1HB ASP 4 2.550 14.127 -2.051 28 H ILE 5 H ILE 5 1.831 13.323 0.585 29 HA ILE 5 HA ILE 5 1.750 10.479 0.200 30 HB ILE 5 HB ILE 5 2.554 11.948 2.712 31 HG12 ILE 5 2HG1 ILE 5 4.187 11.344 0.223 32 HG13 ILE 5 1HG1 ILE 5 3.715 12.953 0.790 33 HG21 ILE 5 1HG2 ILE 5 3.898 10.002 3.129 34 HG22 ILE 5 2HG2 ILE 5 3.597 9.372 1.509 35 HG23 ILE 5 3HG2 ILE 5 2.291 9.420 2.694 36 HD11 ILE 5 1HD1 ILE 5 4.934 12.440 2.949 37 HD12 ILE 5 2HD1 ILE 5 5.976 12.574 1.533 38 HD13 ILE 5 3HD1 ILE 5 5.559 10.984 2.172 39 H LEU 6 H LEU 6 -0.116 12.816 1.955 40 HA LEU 6 HA LEU 6 -1.355 11.086 3.820 41 HB2 LEU 6 2HB LEU 6 -1.791 13.822 2.774 42 HB3 LEU 6 1HB LEU 6 -3.231 13.021 3.411 43 HG LEU 6 HG LEU 6 -0.668 12.967 4.994 44 HD11 LEU 6 1HD1 LEU 6 -2.642 15.247 4.765 45 HD12 LEU 6 2HD1 LEU 6 -0.888 15.310 4.597 46 HD13 LEU 6 3HD1 LEU 6 -1.613 15.029 6.181 47 HD21 LEU 6 1HD2 LEU 6 -2.564 11.565 5.714 48 HD22 LEU 6 2HD2 LEU 6 -3.619 12.980 5.718 49 HD23 LEU 6 3HD2 LEU 6 -2.290 12.866 6.873 50 H LYS 7 H LYS 7 -2.196 12.063 0.526 51 HA LYS 7 HA LYS 7 -4.669 10.584 0.524 52 HB2 LYS 7 2HB LYS 7 -3.303 12.375 -1.357 53 HB3 LYS 7 1HB LYS 7 -4.030 10.983 -2.150 54 HG2 LYS 7 2HG LYS 7 -5.662 12.779 -2.012 55 HG3 LYS 7 1HG LYS 7 -6.167 11.461 -0.963 56 HD2 LYS 7 2HD LYS 7 -5.626 12.628 0.989 57 HD3 LYS 7 1HD LYS 7 -4.476 13.679 0.163 58 HE2 LYS 7 2HE LYS 7 -6.260 14.898 -0.916 59 HE3 LYS 7 1HE LYS 7 -7.464 13.752 -0.328 60 HZ1 LYS 7 1HZ LYS 7 -5.774 15.028 1.672 61 HZ2 LYS 7 2HZ LYS 7 -7.422 14.619 1.741 62 HZ3 LYS 7 3HZ LYS 7 -6.923 16.016 0.912 63 H GLY 8 H GLY 8 -1.341 9.911 -0.323 64 HA2 GLY 8 2HA GLY 8 -1.772 7.615 -1.920 65 HA3 GLY 8 1HA GLY 8 -0.296 7.989 -1.035 66 H ALA 9 H ALA 9 -1.499 8.091 1.570 67 HA ALA 9 HA ALA 9 -1.202 5.470 2.433 68 HB1 ALA 9 1HB ALA 9 -2.719 7.785 3.644 69 HB2 ALA 9 2HB ALA 9 -1.095 7.227 4.046 70 HB3 ALA 9 3HB ALA 9 -2.495 6.246 4.477 71 H ALA 10 H ALA 10 -4.113 7.161 1.368 72 HA ALA 10 HA ALA 10 -6.029 5.273 2.159 73 HB1 ALA 10 1HB ALA 10 -6.650 7.489 1.339 74 HB2 ALA 10 2HB ALA 10 -7.435 6.244 0.366 75 HB3 ALA 10 3HB ALA 10 -6.021 7.093 -0.261 76 H LYS 11 H LYS 11 -4.332 5.602 -0.958 77 HA LYS 11 HA LYS 11 -5.401 3.174 -2.000 78 HB2 LYS 11 2HB LYS 11 -4.792 4.960 -3.489 79 HB3 LYS 11 1HB LYS 11 -3.139 4.866 -2.930 80 HG2 LYS 11 2HG LYS 11 -2.658 3.014 -4.169 81 HG3 LYS 11 1HG LYS 11 -4.246 2.311 -3.887 82 HD2 LYS 11 2HD LYS 11 -5.249 3.863 -5.456 83 HD3 LYS 11 1HD LYS 11 -3.678 4.603 -5.727 84 HE2 LYS 11 2HE LYS 11 -2.829 2.351 -6.486 85 HE3 LYS 11 1HE LYS 11 -4.491 1.767 -6.403 86 HZ1 LYS 11 1HZ LYS 11 -3.421 3.925 -8.132 87 HZ2 LYS 11 2HZ LYS 11 -5.082 3.628 -7.930 88 HZ3 LYS 11 3HZ LYS 11 -4.082 2.441 -8.622 89 H ASP 12 H ASP 12 -2.525 4.081 -0.247 90 HA ASP 12 HA ASP 12 -0.781 2.010 -0.745 91 HB2 ASP 12 2HB ASP 12 -0.400 3.888 0.877 92 HB3 ASP 12 1HB ASP 12 -1.447 3.049 2.022 93 H ILE 13 H ILE 13 -3.940 1.839 0.340 94 HA ILE 13 HA ILE 13 -4.090 -0.345 2.048 95 HB ILE 13 HB ILE 13 -5.796 1.060 0.075 96 HG12 ILE 13 2HG1 ILE 13 -5.423 1.328 2.697 97 HG13 ILE 13 1HG1 ILE 13 -6.995 1.631 1.962 98 HG21 ILE 13 1HG2 ILE 13 -6.340 -1.772 0.972 99 HG22 ILE 13 2HG2 ILE 13 -6.442 -1.094 -0.653 100 HG23 ILE 13 3HG2 ILE 13 -7.649 -0.666 0.558 101 HD11 ILE 13 1HD1 ILE 13 -6.934 0.082 4.022 102 HD12 ILE 13 2HD1 ILE 13 -6.214 -1.112 2.943 103 HD13 ILE 13 3HD1 ILE 13 -7.831 -0.487 2.614 104 H ALA 14 H ALA 14 -4.456 -0.270 -1.451 105 HA ALA 14 HA ALA 14 -4.641 -2.997 -1.955 106 HB1 ALA 14 1HB ALA 14 -3.405 -0.827 -3.667 107 HB2 ALA 14 2HB ALA 14 -5.084 -1.367 -3.696 108 HB3 ALA 14 3HB ALA 14 -3.801 -2.448 -4.240 109 H GLY 15 H GLY 15 -1.788 -0.986 -1.468 110 HA2 GLY 15 2HA GLY 15 0.131 -2.954 -2.237 111 HA3 GLY 15 1HA GLY 15 0.453 -1.506 -1.287 112 H HIS 16 H HIS 16 -1.517 -2.166 0.767 113 HA HIS 16 HA HIS 16 0.158 -3.754 2.459 114 HB2 HIS 16 2HB HIS 16 -1.158 -1.956 3.415 115 HB3 HIS 16 1HB HIS 16 -2.652 -2.693 2.835 116 HD2 HIS 16 2HD HIS 16 -3.717 -4.620 4.540 117 HE1 HIS 16 1HE HIS 16 -0.434 -4.897 7.180 118 HE2 HIS 16 2HE HIS 16 -2.825 -5.651 6.767 119 H LEU 17 H LEU 17 -2.926 -4.289 0.793 120 HA LEU 17 HA LEU 17 -3.343 -6.896 1.844 121 HB2 LEU 17 2HB LEU 17 -4.956 -5.134 0.654 122 HB3 LEU 17 1HB LEU 17 -4.517 -6.088 -0.751 123 HG LEU 17 HG LEU 17 -6.525 -7.043 0.195 124 HD11 LEU 17 1HD1 LEU 17 -5.835 -9.286 0.376 125 HD12 LEU 17 2HD1 LEU 17 -4.318 -8.855 1.162 126 HD13 LEU 17 3HD1 LEU 17 -4.544 -8.532 -0.558 127 HD21 LEU 17 1HD2 LEU 17 -5.715 -6.078 2.588 128 HD22 LEU 17 2HD2 LEU 17 -5.224 -7.760 2.783 129 HD23 LEU 17 3HD2 LEU 17 -6.907 -7.368 2.439 130 H ALA 18 H ALA 18 -1.846 -5.595 -1.072 131 HA ALA 18 HA ALA 18 -1.525 -8.014 -2.479 132 HB1 ALA 18 1HB ALA 18 -1.139 -5.753 -3.455 133 HB2 ALA 18 2HB ALA 18 0.212 -6.853 -3.732 134 HB3 ALA 18 3HB ALA 18 0.326 -5.615 -2.481 135 H SER 19 H SER 19 0.857 -6.271 -0.464 136 HA SER 19 HA SER 19 2.845 -8.196 -0.455 137 HB2 SER 19 2HB SER 19 3.814 -6.880 1.128 138 HB3 SER 19 1HB SER 19 2.459 -5.797 0.823 139 HG SER 19 HG SER 19 1.380 -6.706 2.547 140 H LYS 20 H LYS 20 -0.150 -8.059 1.359 141 HA LYS 20 HA LYS 20 0.369 -10.162 3.170 142 HB2 LYS 20 2HB LYS 20 -1.834 -8.484 2.424 143 HB3 LYS 20 1HB LYS 20 -2.396 -10.147 2.520 144 HG2 LYS 20 2HG LYS 20 -0.781 -8.759 4.681 145 HG3 LYS 20 1HG LYS 20 -2.530 -8.942 4.705 146 HD2 LYS 20 2HD LYS 20 -1.808 -11.524 4.257 147 HD3 LYS 20 1HD LYS 20 -0.415 -10.972 5.185 148 HE2 LYS 20 2HE LYS 20 -2.018 -11.805 6.769 149 HE3 LYS 20 1HE LYS 20 -2.049 -10.046 6.890 150 HZ1 LYS 20 1HZ LYS 20 -4.236 -11.482 6.610 151 HZ2 LYS 20 2HZ LYS 20 -3.861 -11.278 4.966 152 HZ3 LYS 20 3HZ LYS 20 -4.092 -9.921 5.963 153 H VAL 21 H VAL 21 -1.370 -10.088 0.076 154 HA VAL 21 HA VAL 21 -1.670 -12.922 -0.070 155 HB VAL 21 HB VAL 21 -1.903 -10.901 -2.297 156 HG11 VAL 21 1HG1 VAL 21 -3.439 -12.653 -3.219 157 HG12 VAL 21 2HG1 VAL 21 -2.958 -13.716 -1.895 158 HG13 VAL 21 3HG1 VAL 21 -1.766 -13.199 -3.089 159 HG21 VAL 21 1HG2 VAL 21 -4.207 -10.675 -1.709 160 HG22 VAL 21 2HG2 VAL 21 -3.327 -10.506 -0.192 161 HG23 VAL 21 3HG2 VAL 21 -4.128 -12.027 -0.580 162 H MET 22 H MET 22 0.592 -10.601 -1.460 163 HA MET 22 HA MET 22 1.905 -12.355 -3.222 164 HB2 MET 22 2HB MET 22 2.375 -9.711 -2.119 165 HB3 MET 22 1HB MET 22 3.879 -10.601 -2.321 166 HG2 MET 22 2HG MET 22 3.306 -9.333 -4.365 167 HG3 MET 22 1HG MET 22 3.288 -11.077 -4.667 168 HE1 MET 22 1HE MET 22 1.624 -8.700 -6.507 169 HE2 MET 22 2HE MET 22 0.534 -9.988 -7.011 170 HE3 MET 22 3HE MET 22 2.244 -10.336 -6.765 171 H ASN 23 H ASN 23 2.782 -11.402 0.096 172 HA ASN 23 HA ASN 23 4.973 -13.139 0.368 173 HB2 ASN 23 2HB ASN 23 4.305 -11.194 1.871 174 HB3 ASN 23 1HB ASN 23 3.182 -12.320 2.620 175 HD21 ASN 23 1HD2 ASN 23 4.026 -13.858 4.101 176 HD22 ASN 23 2HD2 ASN 23 5.679 -13.991 4.461 177 H LYS 24 H LYS 24 1.528 -13.614 0.890 178 HA LYS 24 HA LYS 24 1.632 -16.062 2.265 179 HB2 LYS 24 2HB LYS 24 -0.417 -14.687 2.006 180 HB3 LYS 24 1HB LYS 24 -0.474 -15.130 0.300 181 HG2 LYS 24 2HG LYS 24 -0.869 -17.419 0.793 182 HG3 LYS 24 1HG LYS 24 -0.394 -17.220 2.480 183 HD2 LYS 24 2HD LYS 24 -2.359 -15.745 2.840 184 HD3 LYS 24 1HD LYS 24 -2.849 -16.013 1.167 185 HE2 LYS 24 2HE LYS 24 -3.278 -18.317 1.546 186 HE3 LYS 24 1HE LYS 24 -2.402 -18.311 3.077 187 HZ1 LYS 24 1HZ LYS 24 -4.250 -17.747 4.129 188 HZ2 LYS 24 2HZ LYS 24 -5.112 -17.863 2.669 189 HZ3 LYS 24 3HZ LYS 24 -4.447 -16.375 3.151 190 H LEU 25 H LEU 25 1.858 -15.295 -1.161 191 HA LEU 25 HA LEU 25 1.552 -17.917 -2.152 192 HB2 LEU 25 2HB LEU 25 1.552 -15.580 -3.355 193 HB3 LEU 25 1HB LEU 25 3.274 -15.914 -3.521 194 HG LEU 25 HG LEU 25 2.165 -16.743 -5.503 195 HD11 LEU 25 1HD1 LEU 25 3.973 -18.137 -4.356 196 HD12 LEU 25 2HD1 LEU 25 2.939 -18.994 -5.499 197 HD13 LEU 25 3HD1 LEU 25 2.667 -19.165 -3.765 198 HD21 LEU 25 1HD2 LEU 25 0.184 -17.914 -5.526 199 HD22 LEU 25 2HD2 LEU 25 -0.052 -17.069 -3.998 200 HD23 LEU 25 3HD2 LEU 25 0.522 -18.736 -4.004 201 HN1 NH2 26 HN1 NH2 26 4.646 -16.071 -2.088 202 HN2 NH2 26 HN2 NH2 26 5.610 -17.432 -1.730
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