NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
3548 | 1du9 | 4585 | cing | recoord | dress | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HT1 VAL 1 -9.443 1.620 2.016 2 2H VAL 1 HT2 VAL 1 -9.360 2.333 0.457 3 3H VAL 1 HT3 VAL 1 -9.676 3.309 1.834 4 HA VAL 1 HA VAL 1 -7.496 2.633 2.707 5 HB VAL 1 HB VAL 1 -6.847 1.874 -0.127 6 1HG1 VAL 1 1HG1 VAL 1 -5.457 1.983 2.459 7 2HG1 VAL 1 2HG1 VAL 1 -4.827 2.149 0.820 8 3HG1 VAL 1 3HG1 VAL 1 -5.130 0.546 1.491 9 1HG2 VAL 1 1HG2 VAL 1 -6.981 -0.484 0.493 10 2HG2 VAL 1 2HG2 VAL 1 -8.557 0.295 0.631 11 3HG2 VAL 1 3HG2 VAL 1 -7.609 -0.039 2.080 12 H GLY 2 HN GLY 2 -5.574 3.951 2.117 13 1HA GLY 2 HA2 GLY 2 -6.013 6.001 0.101 14 2HA GLY 2 HA1 GLY 2 -6.000 6.556 1.768 15 H CYS 3 HN CYS 3 -4.182 7.678 0.215 16 HA CYS 3 HA CYS 3 -1.723 6.263 0.020 17 1HB CYS 3 HB2 CYS 3 -2.734 8.719 -0.887 18 2HB CYS 3 HB1 CYS 3 -1.370 9.132 0.147 19 H GLU 4 HN GLU 4 -3.238 8.176 2.503 20 HA GLU 4 HA GLU 4 -0.785 8.201 4.089 21 1HB GLU 4 HB2 GLU 4 -3.444 9.564 4.433 22 2HB GLU 4 HB1 GLU 4 -2.180 9.616 5.654 23 1HG GLU 4 HG2 GLU 4 -0.845 10.996 4.419 24 2HG GLU 4 HG1 GLU 4 -1.494 10.429 2.881 25 H GLU 5 HN GLU 5 -3.113 6.078 3.564 26 HA GLU 5 HA GLU 5 -2.914 4.968 6.263 27 1HB GLU 5 HB2 GLU 5 -5.423 5.435 4.684 28 2HB GLU 5 HB1 GLU 5 -5.341 4.137 5.867 29 1HG GLU 5 HG2 GLU 5 -4.465 6.074 7.422 30 2HG GLU 5 HG1 GLU 5 -5.342 7.077 6.269 31 H CYS 6 HN CYS 6 -1.693 4.436 3.549 32 HA CYS 6 HA CYS 6 -2.736 1.881 2.784 33 1HB CYS 6 HB2 CYS 6 -1.265 3.796 1.483 34 2HB CYS 6 HB1 CYS 6 -0.073 2.537 1.785 35 HA PRO 7 HA PRO 7 1.715 0.648 4.642 36 1HB PRO 7 HB2 PRO 7 1.515 2.662 6.834 37 2HB PRO 7 HB1 PRO 7 2.945 2.048 5.997 38 1HG PRO 7 HG2 PRO 7 1.951 4.470 5.449 39 2HG PRO 7 HG1 PRO 7 2.649 3.446 4.181 40 1HD PRO 7 HD2 PRO 7 -0.204 4.080 4.740 41 2HD PRO 7 HD1 PRO 7 0.588 3.707 3.202 42 H MET 8 HN MET 8 -0.977 1.908 6.572 43 HA MET 8 HA MET 8 -0.742 0.020 8.673 44 1HB MET 8 HB2 MET 8 -2.798 1.987 7.792 45 2HB MET 8 HB1 MET 8 -3.296 0.724 8.908 46 1HG MET 8 HG2 MET 8 -1.322 1.437 10.343 47 2HG MET 8 HG1 MET 8 -1.239 2.865 9.314 48 1HE MET 8 HE1 MET 8 -4.835 1.229 10.287 49 2HE MET 8 HE2 MET 8 -4.794 1.706 11.984 50 3HE MET 8 HE3 MET 8 -3.556 0.627 11.341 51 H HIS 9 HN HIS 9 -2.947 0.201 5.881 52 HA HIS 9 HA HIS 9 -4.341 -2.165 6.374 53 1HB HIS 9 HB2 HIS 9 -3.975 -0.342 4.105 54 2HB HIS 9 HB1 HIS 9 -4.331 -2.000 3.632 55 HD1 HIS 9 HD1 HIS 9 -6.373 -2.815 5.713 56 HD2 HIS 9 HD2 HIS 9 -6.364 0.909 3.873 57 HE1 HIS 9 HE1 HIS 9 -8.728 -1.959 5.918 58 HE2 HIS 9 HE2 HIS 9 -8.718 0.260 4.725 59 H CYS 10 HN CYS 10 -2.103 -1.894 3.631 60 HA CYS 10 HA CYS 10 -1.500 -4.711 3.824 61 1HB CYS 10 HB2 CYS 10 -1.781 -3.241 1.678 62 2HB CYS 10 HB1 CYS 10 -0.090 -2.837 1.955 63 H LYS 11 HN LYS 11 -0.039 -5.426 5.219 64 HA LYS 11 HA LYS 11 2.535 -4.047 5.400 65 1HB LYS 11 HB2 LYS 11 2.477 -4.506 7.917 66 2HB LYS 11 HB1 LYS 11 1.516 -3.160 7.321 67 1HG LYS 11 HG2 LYS 11 -0.462 -4.177 7.791 68 2HG LYS 11 HG1 LYS 11 0.187 -5.800 7.546 69 1HD LYS 11 HD2 LYS 11 0.952 -4.057 9.879 70 2HD LYS 11 HD1 LYS 11 -0.398 -5.192 9.928 71 1HE LYS 11 HE2 LYS 11 1.572 -6.784 8.971 72 2HE LYS 11 HE1 LYS 11 2.502 -5.688 9.992 73 1HZ LYS 11 HZ1 LYS 11 1.922 -7.265 11.505 74 2HZ LYS 11 HZ2 LYS 11 0.460 -7.645 10.744 75 3HZ LYS 11 HZ3 LYS 11 0.587 -6.239 11.675 76 H GLY 12 HN GLY 12 4.017 -5.494 4.854 77 1HA GLY 12 HA2 GLY 12 3.838 -8.192 5.999 78 2HA GLY 12 HA1 GLY 12 4.037 -8.015 4.263 79 H LYS 13 HN LYS 13 6.034 -7.692 3.440 80 HA LYS 13 HA LYS 13 8.194 -6.739 5.060 81 1HB LYS 13 HB2 LYS 13 7.729 -9.447 5.155 82 2HB LYS 13 HB1 LYS 13 8.947 -9.314 3.895 83 1HG LYS 13 HG2 LYS 13 10.157 -9.637 5.865 84 2HG LYS 13 HG1 LYS 13 10.273 -7.904 5.549 85 1HD LYS 13 HD2 LYS 13 8.498 -7.474 7.158 86 2HD LYS 13 HD1 LYS 13 8.317 -9.206 7.443 87 1HE LYS 13 HE2 LYS 13 9.664 -8.650 9.205 88 2HE LYS 13 HE1 LYS 13 10.886 -9.041 7.996 89 1HZ LYS 13 HZ1 LYS 13 9.927 -6.274 8.207 90 2HZ LYS 13 HZ2 LYS 13 11.437 -6.853 7.712 91 3HZ LYS 13 HZ3 LYS 13 11.033 -6.844 9.354 92 H ASN 14 HN ASN 14 7.196 -8.249 2.033 93 HA ASN 14 HA ASN 14 9.084 -6.516 0.642 94 1HB ASN 14 HB2 ASN 14 8.344 -9.376 0.046 95 2HB ASN 14 HB1 ASN 14 9.080 -8.328 -1.163 96 1HD2 ASN 14 1HD2 ASN 14 9.665 -10.532 1.241 97 2HD2 ASN 14 2HD2 ASN 14 11.342 -10.212 1.505 98 H ALA 15 HN ALA 15 6.406 -5.959 1.403 99 HA ALA 15 HA ALA 15 5.110 -5.847 -1.235 100 1HB ALA 15 HB1 ALA 15 3.539 -7.058 -0.151 101 2HB ALA 15 HB2 ALA 15 3.025 -5.465 0.402 102 3HB ALA 15 HB3 ALA 15 4.032 -6.475 1.439 103 H LYS 16 HN LYS 16 5.724 -3.856 -1.945 104 HA LYS 16 HA LYS 16 5.565 -1.575 -0.147 105 1HB LYS 16 HB2 LYS 16 7.511 -1.573 -1.492 106 2HB LYS 16 HB1 LYS 16 6.599 -1.928 -2.952 107 1HG LYS 16 HG2 LYS 16 6.224 0.228 -3.361 108 2HG LYS 16 HG1 LYS 16 5.758 0.550 -1.691 109 1HD LYS 16 HD2 LYS 16 7.925 1.040 -1.044 110 2HD LYS 16 HD1 LYS 16 8.637 0.123 -2.374 111 1HE LYS 16 HE2 LYS 16 7.265 2.016 -3.739 112 2HE LYS 16 HE1 LYS 16 7.691 2.910 -2.280 113 1HZ LYS 16 HZ1 LYS 16 9.502 3.281 -3.616 114 2HZ LYS 16 HZ2 LYS 16 9.455 1.746 -4.324 115 3HZ LYS 16 HZ3 LYS 16 10.031 1.930 -2.745 116 HA PRO 17 HA PRO 17 1.513 -0.547 -1.687 117 1HB PRO 17 HB2 PRO 17 1.133 1.711 -0.298 118 2HB PRO 17 HB1 PRO 17 1.158 0.132 0.499 119 1HG PRO 17 HG2 PRO 17 3.314 2.201 0.324 120 2HG PRO 17 HG1 PRO 17 2.815 1.220 1.714 121 1HD PRO 17 HD2 PRO 17 4.980 0.644 0.121 122 2HD PRO 17 HD1 PRO 17 4.083 -0.567 1.057 123 H THR 18 HN THR 18 0.571 0.836 -3.177 124 HA THR 18 HA THR 18 2.151 3.097 -4.140 125 HB THR 18 HB THR 18 2.628 1.070 -5.537 126 HG1 THR 18 HG1 THR 18 3.011 2.598 -6.902 127 1HG2 THR 18 1HG2 THR 18 -0.176 0.859 -5.545 128 2HG2 THR 18 2HG2 THR 18 1.008 -0.182 -6.334 129 3HG2 THR 18 3HG2 THR 18 0.342 1.208 -7.192 130 H CYS 19 HN CYS 19 0.955 4.701 -5.277 131 HA CYS 19 HA CYS 19 -1.946 4.542 -4.782 132 1HB CYS 19 HB2 CYS 19 0.013 6.776 -4.454 133 2HB CYS 19 HB1 CYS 19 -1.658 7.157 -4.859 134 H ASP 20 HN ASP 20 -3.115 4.409 -6.566 135 HA ASP 20 HA ASP 20 -2.218 5.812 -8.963 136 1HB ASP 20 HB2 ASP 20 -1.994 3.198 -8.871 137 2HB ASP 20 HB1 ASP 20 -3.725 3.244 -9.179 138 H ASP 21 HN ASP 21 -3.621 7.472 -9.084 139 HA ASP 21 HA ASP 21 -5.572 8.649 -9.135 140 1HB ASP 21 HB2 ASP 21 -6.325 6.023 -10.389 141 2HB ASP 21 HB1 ASP 21 -7.525 7.296 -10.190 142 H GLY 22 HN GLY 22 -5.076 7.921 -6.635 143 1HA GLY 22 HA2 GLY 22 -6.075 7.780 -4.592 144 2HA GLY 22 HA1 GLY 22 -7.606 7.898 -5.432 145 H VAL 23 HN VAL 23 -5.592 5.347 -6.478 146 HA VAL 23 HA VAL 23 -7.210 3.432 -4.929 147 HB VAL 23 HB VAL 23 -5.910 2.955 -7.612 148 1HG1 VAL 23 1HG1 VAL 23 -7.109 0.903 -7.664 149 2HG1 VAL 23 2HG1 VAL 23 -8.022 1.326 -6.216 150 3HG1 VAL 23 3HG1 VAL 23 -6.296 0.984 -6.100 151 1HG2 VAL 23 1HG2 VAL 23 -8.857 3.276 -7.149 152 2HG2 VAL 23 2HG2 VAL 23 -7.963 3.324 -8.668 153 3HG2 VAL 23 3HG2 VAL 23 -7.825 4.657 -7.522 154 H CYS 24 HN CYS 24 -5.944 2.875 -3.242 155 HA CYS 24 HA CYS 24 -3.109 2.633 -3.411 156 1HB CYS 24 HB2 CYS 24 -5.088 2.633 -1.355 157 2HB CYS 24 HB1 CYS 24 -4.098 1.191 -1.159 158 H ASN 25 HN ASN 25 -1.829 0.821 -3.536 159 HA ASN 25 HA ASN 25 -2.937 -1.820 -3.534 160 1HB ASN 25 HB2 ASN 25 -2.753 -0.409 -6.012 161 2HB ASN 25 HB1 ASN 25 -1.621 -1.756 -6.028 162 1HD2 ASN 25 1HD2 ASN 25 -4.227 -1.214 -7.410 163 2HD2 ASN 25 2HD2 ASN 25 -5.181 -2.621 -7.100 164 H CYS 26 HN CYS 26 -1.467 -3.110 -2.687 165 HA CYS 26 HA CYS 26 1.338 -2.258 -2.694 166 1HB CYS 26 HB2 CYS 26 1.582 -3.963 -0.861 167 2HB CYS 26 HB1 CYS 26 0.493 -2.632 -0.484 168 H ASN 27 HN ASN 27 2.897 -3.387 -3.700 169 HA ASN 27 HA ASN 27 2.216 -6.038 -4.769 170 1HB ASN 27 HB2 ASN 27 3.514 -3.731 -6.201 171 2HB ASN 27 HB1 ASN 27 3.660 -5.391 -6.773 172 1HD2 ASN 27 1HD2 ASN 27 2.048 -2.649 -7.274 173 2HD2 ASN 27 2HD2 ASN 27 0.543 -3.265 -7.859 174 H VAL 28 HN VAL 28 5.169 -4.197 -5.183 175 HA VAL 28 HA VAL 28 6.565 -5.936 -3.289 176 HB VAL 28 HB VAL 28 7.607 -5.484 -6.085 177 1HG1 VAL 28 1HG1 VAL 28 9.336 -5.834 -4.416 178 2HG1 VAL 28 2HG1 VAL 28 9.213 -7.239 -5.475 179 3HG1 VAL 28 3HG1 VAL 28 8.523 -7.294 -3.853 180 1HG2 VAL 28 1HG2 VAL 28 6.081 -7.795 -4.916 181 2HG2 VAL 28 2HG2 VAL 28 7.127 -7.971 -6.325 182 3HG2 VAL 28 3HG2 VAL 28 5.739 -6.885 -6.387 Start of MODEL 2 1 1H VAL 1 HT1 VAL 1 -8.706 2.651 4.795 2 2H VAL 1 HT2 VAL 1 -8.375 4.079 5.687 3 3H VAL 1 HT3 VAL 1 -7.100 3.241 4.901 4 HA VAL 1 HA VAL 1 -8.204 3.671 2.781 5 HB VAL 1 HB VAL 1 -9.763 5.786 4.238 6 1HG1 VAL 1 1HG1 VAL 1 -11.174 5.199 2.041 7 2HG1 VAL 1 2HG1 VAL 1 -9.567 4.732 1.484 8 3HG1 VAL 1 3HG1 VAL 1 -9.860 6.375 2.055 9 1HG2 VAL 1 1HG2 VAL 1 -10.835 3.070 3.480 10 2HG2 VAL 1 2HG2 VAL 1 -11.729 4.392 4.230 11 3HG2 VAL 1 3HG2 VAL 1 -10.449 3.573 5.125 12 H GLY 2 HN GLY 2 -7.739 5.727 1.621 13 1HA GLY 2 HA2 GLY 2 -6.707 7.863 1.525 14 2HA GLY 2 HA1 GLY 2 -6.059 7.593 3.135 15 H CYS 3 HN CYS 3 -4.733 8.421 0.626 16 HA CYS 3 HA CYS 3 -3.084 6.185 -0.149 17 1HB CYS 3 HB2 CYS 3 -3.561 8.908 -1.084 18 2HB CYS 3 HB1 CYS 3 -1.857 8.470 -1.127 19 H GLU 4 HN GLU 4 -2.931 8.807 2.121 20 HA GLU 4 HA GLU 4 -0.088 8.519 2.560 21 1HB GLU 4 HB2 GLU 4 -1.585 10.667 2.759 22 2HB GLU 4 HB1 GLU 4 -1.876 10.059 4.382 23 1HG GLU 4 HG2 GLU 4 0.266 10.439 5.065 24 2HG GLU 4 HG1 GLU 4 0.933 10.257 3.443 25 H GLU 5 HN GLU 5 -2.562 6.659 3.358 26 HA GLU 5 HA GLU 5 -1.363 5.852 5.914 27 1HB GLU 5 HB2 GLU 5 -4.260 6.055 5.145 28 2HB GLU 5 HB1 GLU 5 -3.739 4.972 6.428 29 1HG GLU 5 HG2 GLU 5 -3.089 7.903 6.410 30 2HG GLU 5 HG1 GLU 5 -4.555 7.247 7.138 31 H CYS 6 HN CYS 6 -0.849 4.936 3.159 32 HA CYS 6 HA CYS 6 -2.043 2.354 2.914 33 1HB CYS 6 HB2 CYS 6 -0.794 4.058 1.163 34 2HB CYS 6 HB1 CYS 6 0.403 2.785 1.380 35 HA PRO 7 HA PRO 7 2.667 1.158 4.043 36 1HB PRO 7 HB2 PRO 7 2.847 3.375 6.037 37 2HB PRO 7 HB1 PRO 7 4.120 2.638 5.058 38 1HG PRO 7 HG2 PRO 7 3.092 5.017 4.413 39 2HG PRO 7 HG1 PRO 7 3.549 3.842 3.166 40 1HD PRO 7 HD2 PRO 7 0.843 4.637 4.111 41 2HD PRO 7 HD1 PRO 7 1.357 4.069 2.515 42 H MET 8 HN MET 8 0.149 2.469 6.105 43 HA MET 8 HA MET 8 0.762 0.576 8.235 44 1HB MET 8 HB2 MET 8 -0.078 3.101 8.409 45 2HB MET 8 HB1 MET 8 -1.651 2.318 8.333 46 1HG MET 8 HG2 MET 8 -1.121 0.986 10.278 47 2HG MET 8 HG1 MET 8 0.505 1.664 10.328 48 1HE MET 8 HE1 MET 8 -2.899 2.392 12.459 49 2HE MET 8 HE2 MET 8 -3.040 1.843 10.789 50 3HE MET 8 HE3 MET 8 -3.483 3.496 11.214 51 H HIS 9 HN HIS 9 -1.596 1.132 5.711 52 HA HIS 9 HA HIS 9 -3.170 -1.170 6.612 53 1HB HIS 9 HB2 HIS 9 -3.775 0.815 4.411 54 2HB HIS 9 HB1 HIS 9 -4.869 -0.415 5.036 55 HD1 HIS 9 HD1 HIS 9 -4.366 0.111 8.077 56 HD2 HIS 9 HD2 HIS 9 -5.140 3.041 5.233 57 HE1 HIS 9 HE1 HIS 9 -5.294 2.065 9.360 58 HE2 HIS 9 HE2 HIS 9 -5.838 3.792 7.608 59 H CYS 10 HN CYS 10 -1.142 -2.419 5.919 60 HA CYS 10 HA CYS 10 -1.726 -3.868 3.593 61 1HB CYS 10 HB2 CYS 10 -0.439 -1.484 2.980 62 2HB CYS 10 HB1 CYS 10 0.858 -2.673 2.967 63 H LYS 11 HN LYS 11 -0.976 -5.833 3.986 64 HA LYS 11 HA LYS 11 1.185 -6.176 5.916 65 1HB LYS 11 HB2 LYS 11 -1.063 -7.437 5.968 66 2HB LYS 11 HB1 LYS 11 -0.401 -8.395 4.651 67 1HG LYS 11 HG2 LYS 11 1.587 -8.360 6.613 68 2HG LYS 11 HG1 LYS 11 0.068 -8.595 7.480 69 1HD LYS 11 HD2 LYS 11 -0.427 -10.378 5.685 70 2HD LYS 11 HD1 LYS 11 1.302 -10.297 5.340 71 1HE LYS 11 HE2 LYS 11 1.042 -12.058 6.885 72 2HE LYS 11 HE1 LYS 11 1.674 -10.699 7.812 73 1HZ LYS 11 HZ1 LYS 11 -0.931 -11.987 7.946 74 2HZ LYS 11 HZ2 LYS 11 -0.926 -10.304 8.117 75 3HZ LYS 11 HZ3 LYS 11 -0.015 -11.263 9.172 76 H GLY 12 HN GLY 12 3.003 -7.539 5.491 77 1HA GLY 12 HA2 GLY 12 3.996 -9.015 3.684 78 2HA GLY 12 HA1 GLY 12 3.660 -7.659 2.618 79 H LYS 13 HN LYS 13 5.876 -9.068 4.741 80 HA LYS 13 HA LYS 13 7.351 -6.894 5.670 81 1HB LYS 13 HB2 LYS 13 8.328 -9.640 4.868 82 2HB LYS 13 HB1 LYS 13 9.249 -8.482 5.819 83 1HG LYS 13 HG2 LYS 13 6.582 -9.094 6.875 84 2HG LYS 13 HG1 LYS 13 7.709 -10.452 6.854 85 1HD LYS 13 HD2 LYS 13 9.078 -9.515 8.406 86 2HD LYS 13 HD1 LYS 13 8.753 -7.870 7.855 87 1HE LYS 13 HE2 LYS 13 7.012 -7.605 9.263 88 2HE LYS 13 HE1 LYS 13 6.463 -9.268 9.061 89 1HZ LYS 13 HZ1 LYS 13 7.184 -9.042 11.282 90 2HZ LYS 13 HZ2 LYS 13 8.626 -8.282 10.830 91 3HZ LYS 13 HZ3 LYS 13 8.394 -9.922 10.491 92 H ASN 14 HN ASN 14 7.055 -8.199 2.511 93 HA ASN 14 HA ASN 14 9.058 -6.311 1.551 94 1HB ASN 14 HB2 ASN 14 8.811 -9.215 0.963 95 2HB ASN 14 HB1 ASN 14 9.260 -8.156 -0.371 96 1HD2 ASN 14 1HD2 ASN 14 11.321 -7.635 -0.584 97 2HD2 ASN 14 2HD2 ASN 14 12.548 -7.866 0.611 98 H ALA 15 HN ALA 15 6.278 -5.916 1.830 99 HA ALA 15 HA ALA 15 5.438 -5.798 -0.985 100 1HB ALA 15 HB1 ALA 15 4.123 -7.256 0.735 101 2HB ALA 15 HB2 ALA 15 3.253 -6.257 -0.428 102 3HB ALA 15 HB3 ALA 15 3.449 -5.705 1.236 103 H LYS 16 HN LYS 16 6.019 -3.767 -1.561 104 HA LYS 16 HA LYS 16 5.591 -1.539 0.232 105 1HB LYS 16 HB2 LYS 16 7.588 -1.428 -1.044 106 2HB LYS 16 HB1 LYS 16 6.737 -1.762 -2.545 107 1HG LYS 16 HG2 LYS 16 6.320 0.394 -2.891 108 2HG LYS 16 HG1 LYS 16 5.734 0.623 -1.243 109 1HD LYS 16 HD2 LYS 16 7.814 1.213 -0.444 110 2HD LYS 16 HD1 LYS 16 8.667 0.344 -1.722 111 1HE LYS 16 HE2 LYS 16 7.435 2.152 -3.231 112 2HE LYS 16 HE1 LYS 16 7.487 3.068 -1.725 113 1HZ LYS 16 HZ1 LYS 16 9.968 2.320 -1.757 114 2HZ LYS 16 HZ2 LYS 16 9.468 3.650 -2.675 115 3HZ LYS 16 HZ3 LYS 16 9.701 2.149 -3.419 116 HA PRO 17 HA PRO 17 1.525 -0.719 -1.385 117 1HB PRO 17 HB2 PRO 17 1.059 1.589 -0.081 118 2HB PRO 17 HB1 PRO 17 1.063 0.027 0.746 119 1HG PRO 17 HG2 PRO 17 3.209 2.109 0.615 120 2HG PRO 17 HG1 PRO 17 2.659 1.156 2.005 121 1HD PRO 17 HD2 PRO 17 4.897 0.554 0.560 122 2HD PRO 17 HD1 PRO 17 3.929 -0.662 1.417 123 H THR 18 HN THR 18 0.616 0.463 -3.009 124 HA THR 18 HA THR 18 2.035 2.827 -3.981 125 HB THR 18 HB THR 18 2.756 0.815 -5.281 126 HG1 THR 18 HG1 THR 18 3.037 2.511 -6.516 127 1HG2 THR 18 1HG2 THR 18 0.711 0.528 -7.095 128 2HG2 THR 18 2HG2 THR 18 -0.093 0.482 -5.528 129 3HG2 THR 18 3HG2 THR 18 1.215 -0.646 -5.880 130 H CYS 19 HN CYS 19 0.759 4.275 -5.239 131 HA CYS 19 HA CYS 19 -2.114 3.983 -4.685 132 1HB CYS 19 HB2 CYS 19 -0.337 6.387 -5.031 133 2HB CYS 19 HB1 CYS 19 -2.086 6.518 -5.185 134 H ASP 20 HN ASP 20 -3.442 3.602 -6.324 135 HA ASP 20 HA ASP 20 -2.652 4.422 -9.014 136 1HB ASP 20 HB2 ASP 20 -2.550 1.877 -8.380 137 2HB ASP 20 HB1 ASP 20 -4.295 1.966 -8.586 138 H ASP 21 HN ASP 21 -3.972 6.120 -9.379 139 HA ASP 21 HA ASP 21 -5.864 7.380 -9.561 140 1HB ASP 21 HB2 ASP 21 -7.190 4.691 -9.979 141 2HB ASP 21 HB1 ASP 21 -7.808 6.255 -10.501 142 H GLY 22 HN GLY 22 -5.229 7.137 -7.001 143 1HA GLY 22 HA2 GLY 22 -6.076 7.439 -4.908 144 2HA GLY 22 HA1 GLY 22 -7.654 7.520 -5.661 145 H VAL 23 HN VAL 23 -5.862 4.672 -6.294 146 HA VAL 23 HA VAL 23 -7.464 3.213 -4.295 147 HB VAL 23 HB VAL 23 -6.527 2.170 -6.968 148 1HG1 VAL 23 1HG1 VAL 23 -8.735 0.848 -5.559 149 2HG1 VAL 23 2HG1 VAL 23 -7.173 0.741 -4.746 150 3HG1 VAL 23 3HG1 VAL 23 -7.348 0.157 -6.401 151 1HG2 VAL 23 1HG2 VAL 23 -9.406 2.515 -6.490 152 2HG2 VAL 23 2HG2 VAL 23 -8.451 2.813 -7.943 153 3HG2 VAL 23 3HG2 VAL 23 -8.488 4.012 -6.650 154 H CYS 24 HN CYS 24 -6.079 2.771 -2.674 155 HA CYS 24 HA CYS 24 -3.303 2.383 -2.962 156 1HB CYS 24 HB2 CYS 24 -5.249 2.343 -0.819 157 2HB CYS 24 HB1 CYS 24 -4.087 1.035 -0.624 158 H ASN 25 HN ASN 25 -2.066 0.579 -3.235 159 HA ASN 25 HA ASN 25 -3.149 -2.061 -3.014 160 1HB ASN 25 HB2 ASN 25 -3.297 -0.739 -5.533 161 2HB ASN 25 HB1 ASN 25 -2.129 -2.048 -5.655 162 1HD2 ASN 25 1HD2 ASN 25 -5.310 -1.261 -5.941 163 2HD2 ASN 25 2HD2 ASN 25 -6.008 -2.833 -5.781 164 H CYS 26 HN CYS 26 -1.585 -3.353 -2.351 165 HA CYS 26 HA CYS 26 1.128 -2.437 -2.247 166 1HB CYS 26 HB2 CYS 26 -0.430 -4.670 -1.130 167 2HB CYS 26 HB1 CYS 26 1.252 -5.057 -1.474 168 H ASN 27 HN ASN 27 2.950 -3.908 -2.925 169 HA ASN 27 HA ASN 27 2.465 -5.653 -5.156 170 1HB ASN 27 HB2 ASN 27 3.341 -2.862 -5.561 171 2HB ASN 27 HB1 ASN 27 4.245 -4.084 -6.451 172 1HD2 ASN 27 1HD2 ASN 27 3.337 -5.050 -8.179 173 2HD2 ASN 27 2HD2 ASN 27 1.759 -4.685 -8.780 174 H VAL 28 HN VAL 28 5.334 -3.705 -4.666 175 HA VAL 28 HA VAL 28 6.691 -5.812 -3.211 176 HB VAL 28 HB VAL 28 7.786 -4.947 -5.888 177 1HG1 VAL 28 1HG1 VAL 28 9.286 -6.929 -5.494 178 2HG1 VAL 28 2HG1 VAL 28 8.668 -6.971 -3.843 179 3HG1 VAL 28 3HG1 VAL 28 9.549 -5.556 -4.420 180 1HG2 VAL 28 1HG2 VAL 28 7.252 -7.267 -6.615 181 2HG2 VAL 28 2HG2 VAL 28 5.829 -6.270 -6.311 182 3HG2 VAL 28 3HG2 VAL 28 6.332 -7.475 -5.125 Start of MODEL 3 1 1H VAL 1 HT1 VAL 1 -10.213 4.426 2.777 2 2H VAL 1 HT2 VAL 1 -9.831 6.092 2.618 3 3H VAL 1 HT3 VAL 1 -9.584 5.292 4.116 4 HA VAL 1 HA VAL 1 -7.773 4.194 3.417 5 HB VAL 1 HB VAL 1 -7.175 3.916 1.025 6 1HG1 VAL 1 1HG1 VAL 1 -8.587 2.282 2.407 7 2HG1 VAL 1 2HG1 VAL 1 -8.580 2.087 0.654 8 3HG1 VAL 1 3HG1 VAL 1 -9.951 2.860 1.450 9 1HG2 VAL 1 1HG2 VAL 1 -9.398 4.257 -0.443 10 2HG2 VAL 1 2HG2 VAL 1 -8.135 5.480 -0.298 11 3HG2 VAL 1 3HG2 VAL 1 -9.587 5.589 0.698 12 H GLY 2 HN GLY 2 -5.679 5.006 2.868 13 1HA GLY 2 HA2 GLY 2 -5.557 7.788 1.961 14 2HA GLY 2 HA1 GLY 2 -4.925 7.424 3.559 15 H CYS 3 HN CYS 3 -3.595 8.424 1.103 16 HA CYS 3 HA CYS 3 -1.908 6.281 0.187 17 1HB CYS 3 HB2 CYS 3 -2.636 8.556 -0.985 18 2HB CYS 3 HB1 CYS 3 -1.156 9.136 -0.229 19 H GLU 4 HN GLU 4 -1.762 8.769 2.626 20 HA GLU 4 HA GLU 4 1.058 8.337 3.128 21 1HB GLU 4 HB2 GLU 4 -1.015 10.095 4.415 22 2HB GLU 4 HB1 GLU 4 0.631 9.972 5.019 23 1HG GLU 4 HG2 GLU 4 0.447 10.540 2.157 24 2HG GLU 4 HG1 GLU 4 -0.242 11.789 3.193 25 H GLU 5 HN GLU 5 -1.530 6.583 3.787 26 HA GLU 5 HA GLU 5 -0.322 5.427 6.177 27 1HB GLU 5 HB2 GLU 5 -3.119 6.483 5.965 28 2HB GLU 5 HB1 GLU 5 -2.775 5.119 7.020 29 1HG GLU 5 HG2 GLU 5 -1.129 6.464 8.224 30 2HG GLU 5 HG1 GLU 5 -1.479 7.832 7.168 31 H CYS 6 HN CYS 6 -0.482 4.658 3.355 32 HA CYS 6 HA CYS 6 -2.365 2.530 3.144 33 1HB CYS 6 HB2 CYS 6 -0.340 3.759 1.431 34 2HB CYS 6 HB1 CYS 6 -0.516 2.024 1.190 35 HA PRO 7 HA PRO 7 1.901 -0.025 3.570 36 1HB PRO 7 HB2 PRO 7 2.938 1.874 5.629 37 2HB PRO 7 HB1 PRO 7 3.824 0.899 4.451 38 1HG PRO 7 HG2 PRO 7 3.450 3.520 4.076 39 2HG PRO 7 HG1 PRO 7 3.419 2.379 2.721 40 1HD PRO 7 HD2 PRO 7 1.170 3.809 4.034 41 2HD PRO 7 HD1 PRO 7 1.322 3.241 2.365 42 H MET 8 HN MET 8 0.129 1.756 6.022 43 HA MET 8 HA MET 8 0.511 -0.225 8.070 44 1HB MET 8 HB2 MET 8 -1.217 2.226 7.829 45 2HB MET 8 HB1 MET 8 -1.367 1.128 9.194 46 1HG MET 8 HG2 MET 8 1.361 2.041 8.572 47 2HG MET 8 HG1 MET 8 0.246 3.272 9.161 48 1HE MET 8 HE1 MET 8 -0.091 -0.443 9.976 49 2HE MET 8 HE2 MET 8 0.730 -0.642 11.524 50 3HE MET 8 HE3 MET 8 1.671 -0.403 10.052 51 H HIS 9 HN HIS 9 -1.854 0.441 5.593 52 HA HIS 9 HA HIS 9 -3.839 -1.344 6.665 53 1HB HIS 9 HB2 HIS 9 -3.555 0.219 4.118 54 2HB HIS 9 HB1 HIS 9 -4.799 -1.017 4.265 55 HD1 HIS 9 HD1 HIS 9 -5.808 -0.516 7.088 56 HD2 HIS 9 HD2 HIS 9 -4.951 2.527 4.391 57 HE1 HIS 9 HE1 HIS 9 -7.149 1.466 7.862 58 HE2 HIS 9 HE2 HIS 9 -6.549 3.319 6.264 59 H CYS 10 HN CYS 10 -2.064 -1.418 3.570 60 HA CYS 10 HA CYS 10 -2.566 -4.177 3.147 61 1HB CYS 10 HB2 CYS 10 -1.522 -2.038 1.652 62 2HB CYS 10 HB1 CYS 10 -0.239 -3.242 1.711 63 H LYS 11 HN LYS 11 -1.517 -5.925 3.842 64 HA LYS 11 HA LYS 11 0.724 -5.610 5.637 65 1HB LYS 11 HB2 LYS 11 0.519 -8.120 5.831 66 2HB LYS 11 HB1 LYS 11 -0.904 -7.206 6.310 67 1HG LYS 11 HG2 LYS 11 -2.167 -8.030 4.635 68 2HG LYS 11 HG1 LYS 11 -0.819 -8.078 3.496 69 1HD LYS 11 HD2 LYS 11 0.062 -10.063 4.653 70 2HD LYS 11 HD1 LYS 11 -1.320 -10.024 5.749 71 1HE LYS 11 HE2 LYS 11 -1.703 -11.654 4.003 72 2HE LYS 11 HE1 LYS 11 -2.826 -10.307 3.823 73 1HZ LYS 11 HZ1 LYS 11 -1.848 -9.624 1.910 74 2HZ LYS 11 HZ2 LYS 11 -1.466 -11.268 1.798 75 3HZ LYS 11 HZ3 LYS 11 -0.307 -10.168 2.350 76 H GLY 12 HN GLY 12 2.661 -7.019 5.427 77 1HA GLY 12 HA2 GLY 12 3.841 -8.446 3.680 78 2HA GLY 12 HA1 GLY 12 3.517 -7.094 2.606 79 H LYS 13 HN LYS 13 5.627 -8.412 4.917 80 HA LYS 13 HA LYS 13 6.932 -6.126 5.876 81 1HB LYS 13 HB2 LYS 13 7.210 -8.474 6.733 82 2HB LYS 13 HB1 LYS 13 8.211 -8.807 5.326 83 1HG LYS 13 HG2 LYS 13 9.835 -8.304 6.827 84 2HG LYS 13 HG1 LYS 13 9.520 -6.685 6.200 85 1HD LYS 13 HD2 LYS 13 7.817 -7.511 8.453 86 2HD LYS 13 HD1 LYS 13 9.531 -7.331 8.833 87 1HE LYS 13 HE2 LYS 13 9.047 -5.161 9.101 88 2HE LYS 13 HE1 LYS 13 9.045 -5.098 7.339 89 1HZ LYS 13 HZ1 LYS 13 6.995 -4.274 7.661 90 2HZ LYS 13 HZ2 LYS 13 6.826 -4.954 9.200 91 3HZ LYS 13 HZ3 LYS 13 6.549 -5.898 7.824 92 H ASN 14 HN ASN 14 7.007 -7.668 2.798 93 HA ASN 14 HA ASN 14 9.047 -5.788 1.917 94 1HB ASN 14 HB2 ASN 14 10.109 -7.415 0.569 95 2HB ASN 14 HB1 ASN 14 9.828 -8.213 2.113 96 1HD2 ASN 14 1HD2 ASN 14 10.286 -9.563 -0.291 97 2HD2 ASN 14 2HD2 ASN 14 8.859 -10.446 -0.700 98 H ALA 15 HN ALA 15 6.232 -5.477 1.913 99 HA ALA 15 HA ALA 15 5.701 -5.462 -0.974 100 1HB ALA 15 HB1 ALA 15 4.290 -6.943 0.771 101 2HB ALA 15 HB2 ALA 15 3.607 -6.261 -0.705 102 3HB ALA 15 HB3 ALA 15 3.376 -5.436 0.837 103 H LYS 16 HN LYS 16 6.103 -3.406 -1.547 104 HA LYS 16 HA LYS 16 5.403 -1.207 0.194 105 1HB LYS 16 HB2 LYS 16 7.451 -0.926 -0.946 106 2HB LYS 16 HB1 LYS 16 6.751 -1.386 -2.490 107 1HG LYS 16 HG2 LYS 16 5.937 0.685 -2.892 108 2HG LYS 16 HG1 LYS 16 5.611 1.007 -1.188 109 1HD LYS 16 HD2 LYS 16 8.456 0.745 -1.864 110 2HD LYS 16 HD1 LYS 16 7.643 2.118 -2.619 111 1HE LYS 16 HE2 LYS 16 6.701 2.290 -0.084 112 2HE LYS 16 HE1 LYS 16 8.308 1.626 0.203 113 1HZ LYS 16 HZ1 LYS 16 7.679 4.112 -1.294 114 2HZ LYS 16 HZ2 LYS 16 9.229 3.460 -1.111 115 3HZ LYS 16 HZ3 LYS 16 8.383 4.017 0.243 116 HA PRO 17 HA PRO 17 1.413 -0.682 -1.719 117 1HB PRO 17 HB2 PRO 17 0.618 1.483 -0.356 118 2HB PRO 17 HB1 PRO 17 0.759 -0.099 0.422 119 1HG PRO 17 HG2 PRO 17 2.649 2.221 0.489 120 2HG PRO 17 HG1 PRO 17 2.137 1.156 1.811 121 1HD PRO 17 HD2 PRO 17 4.506 0.881 0.451 122 2HD PRO 17 HD1 PRO 17 3.669 -0.455 1.264 123 H THR 18 HN THR 18 0.417 0.620 -3.246 124 HA THR 18 HA THR 18 1.827 3.041 -4.090 125 HB THR 18 HB THR 18 2.510 1.081 -5.499 126 HG1 THR 18 HG1 THR 18 1.071 3.142 -6.813 127 1HG2 THR 18 1HG2 THR 18 1.030 -0.276 -6.392 128 2HG2 THR 18 2HG2 THR 18 0.250 1.078 -7.211 129 3HG2 THR 18 3HG2 THR 18 -0.252 0.623 -5.584 130 H CYS 19 HN CYS 19 0.540 4.566 -5.236 131 HA CYS 19 HA CYS 19 -2.340 4.209 -4.740 132 1HB CYS 19 HB2 CYS 19 -0.541 6.597 -4.648 133 2HB CYS 19 HB1 CYS 19 -2.246 6.821 -5.021 134 H ASP 20 HN ASP 20 -3.531 3.847 -6.480 135 HA ASP 20 HA ASP 20 -2.795 5.128 -8.997 136 1HB ASP 20 HB2 ASP 20 -2.370 2.552 -8.718 137 2HB ASP 20 HB1 ASP 20 -4.106 2.447 -8.984 138 H ASP 21 HN ASP 21 -4.322 6.674 -9.174 139 HA ASP 21 HA ASP 21 -6.360 7.692 -9.258 140 1HB ASP 21 HB2 ASP 21 -6.791 4.987 -10.428 141 2HB ASP 21 HB1 ASP 21 -8.218 5.960 -10.086 142 H GLY 22 HN GLY 22 -5.763 7.184 -6.729 143 1HA GLY 22 HA2 GLY 22 -6.699 7.090 -4.654 144 2HA GLY 22 HA1 GLY 22 -8.252 7.056 -5.459 145 H VAL 23 HN VAL 23 -6.106 4.581 -6.411 146 HA VAL 23 HA VAL 23 -7.525 2.668 -4.675 147 HB VAL 23 HB VAL 23 -6.373 2.119 -7.412 148 1HG1 VAL 23 1HG1 VAL 23 -8.251 0.450 -5.746 149 2HG1 VAL 23 2HG1 VAL 23 -6.507 0.199 -5.827 150 3HG1 VAL 23 3HG1 VAL 23 -7.495 0.005 -7.276 151 1HG2 VAL 23 1HG2 VAL 23 -8.935 1.865 -7.896 152 2HG2 VAL 23 2HG2 VAL 23 -8.166 3.451 -7.956 153 3HG2 VAL 23 3HG2 VAL 23 -9.092 2.973 -6.533 154 H CYS 24 HN CYS 24 -6.136 2.222 -3.058 155 HA CYS 24 HA CYS 24 -3.304 2.166 -3.392 156 1HB CYS 24 HB2 CYS 24 -4.589 2.684 -1.249 157 2HB CYS 24 HB1 CYS 24 -4.836 0.948 -1.096 158 H ASN 25 HN ASN 25 -1.903 0.389 -3.349 159 HA ASN 25 HA ASN 25 -2.903 -2.295 -3.323 160 1HB ASN 25 HB2 ASN 25 -2.693 -0.929 -5.825 161 2HB ASN 25 HB1 ASN 25 -1.510 -2.230 -5.775 162 1HD2 ASN 25 1HD2 ASN 25 -4.905 -1.434 -5.560 163 2HD2 ASN 25 2HD2 ASN 25 -5.497 -3.020 -5.904 164 H CYS 26 HN CYS 26 -1.412 -3.504 -2.399 165 HA CYS 26 HA CYS 26 1.349 -2.533 -2.313 166 1HB CYS 26 HB2 CYS 26 1.603 -4.206 -0.460 167 2HB CYS 26 HB1 CYS 26 0.423 -2.940 -0.139 168 H ASN 27 HN ASN 27 3.104 -3.819 -2.864 169 HA ASN 27 HA ASN 27 2.619 -6.456 -3.984 170 1HB ASN 27 HB2 ASN 27 3.653 -4.125 -5.583 171 2HB ASN 27 HB1 ASN 27 3.952 -5.796 -6.055 172 1HD2 ASN 27 1HD2 ASN 27 1.847 -3.198 -6.247 173 2HD2 ASN 27 2HD2 ASN 27 0.487 -4.017 -6.930 174 H VAL 28 HN VAL 28 5.333 -4.300 -4.522 175 HA VAL 28 HA VAL 28 6.944 -5.646 -2.513 176 HB VAL 28 HB VAL 28 7.853 -5.646 -5.391 177 1HG1 VAL 28 1HG1 VAL 28 9.007 -6.670 -2.820 178 2HG1 VAL 28 2HG1 VAL 28 9.752 -5.631 -4.035 179 3HG1 VAL 28 3HG1 VAL 28 9.492 -7.342 -4.377 180 1HG2 VAL 28 1HG2 VAL 28 6.586 -7.826 -3.748 181 2HG2 VAL 28 2HG2 VAL 28 7.549 -8.147 -5.191 182 3HG2 VAL 28 3HG2 VAL 28 6.068 -7.198 -5.313 Start of MODEL 4 1 1H VAL 1 HT1 VAL 1 -8.699 0.795 1.190 2 2H VAL 1 HT2 VAL 1 -7.595 1.317 2.396 3 3H VAL 1 HT3 VAL 1 -7.175 1.434 0.736 4 HA VAL 1 HA VAL 1 -8.664 3.112 0.341 5 HB VAL 1 HB VAL 1 -10.229 3.910 2.130 6 1HG1 VAL 1 1HG1 VAL 1 -11.895 2.623 1.304 7 2HG1 VAL 1 2HG1 VAL 1 -11.044 1.115 1.637 8 3HG1 VAL 1 3HG1 VAL 1 -10.621 2.070 0.216 9 1HG2 VAL 1 1HG2 VAL 1 -10.511 2.848 4.119 10 2HG2 VAL 1 2HG2 VAL 1 -8.816 2.442 3.849 11 3HG2 VAL 1 3HG2 VAL 1 -10.076 1.269 3.465 12 H GLY 2 HN GLY 2 -7.979 5.183 0.594 13 1HA GLY 2 HA2 GLY 2 -7.020 7.027 1.661 14 2HA GLY 2 HA1 GLY 2 -6.687 6.016 3.059 15 H CYS 3 HN CYS 3 -5.318 7.646 0.517 16 HA CYS 3 HA CYS 3 -3.163 5.918 -0.150 17 1HB CYS 3 HB2 CYS 3 -3.991 7.895 -1.505 18 2HB CYS 3 HB1 CYS 3 -3.167 8.931 -0.346 19 H GLU 4 HN GLU 4 -3.652 8.389 2.294 20 HA GLU 4 HA GLU 4 -0.899 8.249 3.180 21 1HB GLU 4 HB2 GLU 4 -3.300 9.809 4.079 22 2HB GLU 4 HB1 GLU 4 -1.804 9.811 5.002 23 1HG GLU 4 HG2 GLU 4 -0.843 10.412 2.566 24 2HG GLU 4 HG1 GLU 4 -2.456 11.111 2.442 25 H GLU 5 HN GLU 5 -3.356 6.234 3.518 26 HA GLU 5 HA GLU 5 -2.502 5.376 6.190 27 1HB GLU 5 HB2 GLU 5 -5.301 5.474 5.081 28 2HB GLU 5 HB1 GLU 5 -4.871 4.496 6.477 29 1HG GLU 5 HG2 GLU 5 -3.999 7.279 6.659 30 2HG GLU 5 HG1 GLU 5 -5.747 7.072 6.561 31 H CYS 6 HN CYS 6 -1.682 4.568 3.458 32 HA CYS 6 HA CYS 6 -2.792 1.974 3.017 33 1HB CYS 6 HB2 CYS 6 -1.345 3.771 1.482 34 2HB CYS 6 HB1 CYS 6 -0.235 2.426 1.726 35 HA PRO 7 HA PRO 7 1.809 0.812 4.550 36 1HB PRO 7 HB2 PRO 7 1.784 2.992 6.593 37 2HB PRO 7 HB1 PRO 7 3.148 2.288 5.716 38 1HG PRO 7 HG2 PRO 7 2.147 4.669 5.028 39 2HG PRO 7 HG1 PRO 7 2.734 3.526 3.806 40 1HD PRO 7 HD2 PRO 7 -0.057 4.269 4.509 41 2HD PRO 7 HD1 PRO 7 0.609 3.731 2.961 42 H MET 8 HN MET 8 -0.894 2.059 6.410 43 HA MET 8 HA MET 8 -0.448 0.417 8.705 44 1HB MET 8 HB2 MET 8 -2.916 1.889 7.766 45 2HB MET 8 HB1 MET 8 -2.760 1.100 9.330 46 1HG MET 8 HG2 MET 8 -0.643 3.029 8.663 47 2HG MET 8 HG1 MET 8 -2.255 3.704 8.890 48 1HE MET 8 HE1 MET 8 0.269 1.135 10.476 49 2HE MET 8 HE2 MET 8 -1.316 0.410 10.748 50 3HE MET 8 HE3 MET 8 -0.371 1.004 12.114 51 H HIS 9 HN HIS 9 -2.168 0.056 5.690 52 HA HIS 9 HA HIS 9 -3.568 -2.324 6.549 53 1HB HIS 9 HB2 HIS 9 -3.531 -0.609 4.139 54 2HB HIS 9 HB1 HIS 9 -3.882 -2.311 3.858 55 HD1 HIS 9 HD1 HIS 9 -5.637 -2.958 6.257 56 HD2 HIS 9 HD2 HIS 9 -5.986 0.539 4.039 57 HE1 HIS 9 HE1 HIS 9 -7.985 -2.147 6.645 58 HE2 HIS 9 HE2 HIS 9 -8.201 -0.080 5.220 59 H CYS 10 HN CYS 10 -1.556 -1.869 3.653 60 HA CYS 10 HA CYS 10 -0.593 -4.601 3.926 61 1HB CYS 10 HB2 CYS 10 -0.332 -2.540 1.736 62 2HB CYS 10 HB1 CYS 10 0.479 -4.101 1.681 63 H LYS 11 HN LYS 11 1.245 -5.063 4.920 64 HA LYS 11 HA LYS 11 3.669 -3.702 4.478 65 1HB LYS 11 HB2 LYS 11 3.991 -2.852 6.830 66 2HB LYS 11 HB1 LYS 11 2.857 -1.936 5.848 67 1HG LYS 11 HG2 LYS 11 1.097 -2.461 7.147 68 2HG LYS 11 HG1 LYS 11 1.682 -4.095 7.467 69 1HD LYS 11 HD2 LYS 11 3.539 -2.581 8.767 70 2HD LYS 11 HD1 LYS 11 2.078 -1.615 8.984 71 1HE LYS 11 HE2 LYS 11 1.878 -4.536 9.459 72 2HE LYS 11 HE1 LYS 11 2.756 -3.577 10.650 73 1HZ LYS 11 HZ1 LYS 11 -0.085 -3.576 9.991 74 2HZ LYS 11 HZ2 LYS 11 0.603 -2.085 10.395 75 3HZ LYS 11 HZ3 LYS 11 0.679 -3.374 11.487 76 H GLY 12 HN GLY 12 5.024 -5.359 4.531 77 1HA GLY 12 HA2 GLY 12 4.973 -7.152 6.849 78 2HA GLY 12 HA1 GLY 12 4.870 -7.856 5.243 79 H LYS 13 HN LYS 13 6.673 -7.600 3.807 80 HA LYS 13 HA LYS 13 9.131 -6.536 4.815 81 1HB LYS 13 HB2 LYS 13 8.594 -9.118 5.535 82 2HB LYS 13 HB1 LYS 13 9.519 -9.343 4.057 83 1HG LYS 13 HG2 LYS 13 11.141 -9.375 5.705 84 2HG LYS 13 HG1 LYS 13 11.204 -7.711 5.119 85 1HD LYS 13 HD2 LYS 13 9.671 -7.083 6.995 86 2HD LYS 13 HD1 LYS 13 9.857 -8.723 7.619 87 1HE LYS 13 HE2 LYS 13 12.006 -8.372 8.290 88 2HE LYS 13 HE1 LYS 13 12.330 -7.205 7.009 89 1HZ LYS 13 HZ1 LYS 13 11.597 -5.494 8.257 90 2HZ LYS 13 HZ2 LYS 13 12.004 -6.516 9.542 91 3HZ LYS 13 HZ3 LYS 13 10.396 -6.403 9.030 92 H ASN 14 HN ASN 14 7.366 -8.216 2.315 93 HA ASN 14 HA ASN 14 9.130 -7.010 0.345 94 1HB ASN 14 HB2 ASN 14 8.382 -9.862 0.634 95 2HB ASN 14 HB1 ASN 14 8.326 -9.211 -1.001 96 1HD2 ASN 14 1HD2 ASN 14 10.448 -9.093 1.843 97 2HD2 ASN 14 2HD2 ASN 14 11.920 -9.311 0.964 98 H ALA 15 HN ALA 15 6.688 -6.105 1.483 99 HA ALA 15 HA ALA 15 5.093 -5.952 -0.959 100 1HB ALA 15 HB1 ALA 15 3.616 -7.366 -0.024 101 2HB ALA 15 HB2 ALA 15 3.110 -5.937 0.878 102 3HB ALA 15 HB3 ALA 15 4.230 -7.089 1.606 103 H LYS 16 HN LYS 16 5.164 -3.851 -1.472 104 HA LYS 16 HA LYS 16 4.842 -1.892 0.703 105 1HB LYS 16 HB2 LYS 16 7.035 -1.685 -0.271 106 2HB LYS 16 HB1 LYS 16 6.359 -1.639 -1.892 107 1HG LYS 16 HG2 LYS 16 5.273 0.495 -1.366 108 2HG LYS 16 HG1 LYS 16 5.992 0.449 0.245 109 1HD LYS 16 HD2 LYS 16 7.650 1.638 -0.699 110 2HD LYS 16 HD1 LYS 16 8.179 0.077 -1.329 111 1HE LYS 16 HE2 LYS 16 6.253 1.865 -2.793 112 2HE LYS 16 HE1 LYS 16 8.000 1.967 -3.006 113 1HZ LYS 16 HZ1 LYS 16 8.017 -0.333 -3.727 114 2HZ LYS 16 HZ2 LYS 16 6.966 0.574 -4.693 115 3HZ LYS 16 HZ3 LYS 16 6.344 -0.450 -3.499 116 HA PRO 17 HA PRO 17 1.085 -0.756 -1.377 117 1HB PRO 17 HB2 PRO 17 0.519 1.486 0.009 118 2HB PRO 17 HB1 PRO 17 0.362 -0.124 0.722 119 1HG PRO 17 HG2 PRO 17 2.579 1.868 1.011 120 2HG PRO 17 HG1 PRO 17 1.810 0.862 2.253 121 1HD PRO 17 HD2 PRO 17 4.197 0.238 1.096 122 2HD PRO 17 HD1 PRO 17 3.068 -0.984 1.714 123 H THR 18 HN THR 18 0.404 0.620 -2.991 124 HA THR 18 HA THR 18 2.140 2.885 -3.660 125 HB THR 18 HB THR 18 2.681 0.885 -5.061 126 HG1 THR 18 HG1 THR 18 2.947 3.090 -5.795 127 1HG2 THR 18 1HG2 THR 18 1.097 -0.296 -6.022 128 2HG2 THR 18 2HG2 THR 18 0.594 1.124 -6.939 129 3HG2 THR 18 3HG2 THR 18 -0.121 0.793 -5.363 130 H CYS 19 HN CYS 19 1.154 4.563 -4.890 131 HA CYS 19 HA CYS 19 -1.773 4.603 -4.603 132 1HB CYS 19 HB2 CYS 19 0.019 6.333 -3.534 133 2HB CYS 19 HB1 CYS 19 -0.365 7.153 -5.042 134 H ASP 20 HN ASP 20 -2.884 4.442 -6.434 135 HA ASP 20 HA ASP 20 -1.757 5.581 -8.875 136 1HB ASP 20 HB2 ASP 20 -1.785 2.973 -8.592 137 2HB ASP 20 HB1 ASP 20 -3.490 3.152 -8.987 138 H ASP 21 HN ASP 21 -2.987 7.386 -9.062 139 HA ASP 21 HA ASP 21 -4.817 8.727 -9.285 140 1HB ASP 21 HB2 ASP 21 -5.539 6.180 -10.649 141 2HB ASP 21 HB1 ASP 21 -6.826 7.354 -10.390 142 H GLY 22 HN GLY 22 -4.600 8.065 -6.741 143 1HA GLY 22 HA2 GLY 22 -5.774 8.064 -4.788 144 2HA GLY 22 HA1 GLY 22 -7.218 8.244 -5.760 145 H VAL 23 HN VAL 23 -5.363 5.537 -6.623 146 HA VAL 23 HA VAL 23 -7.168 3.785 -5.089 147 HB VAL 23 HB VAL 23 -5.815 3.140 -7.709 148 1HG1 VAL 23 1HG1 VAL 23 -7.084 1.166 -7.744 149 2HG1 VAL 23 2HG1 VAL 23 -8.142 1.722 -6.448 150 3HG1 VAL 23 3HG1 VAL 23 -6.472 1.279 -6.094 151 1HG2 VAL 23 1HG2 VAL 23 -8.610 4.112 -7.145 152 2HG2 VAL 23 2HG2 VAL 23 -8.122 3.358 -8.663 153 3HG2 VAL 23 3HG2 VAL 23 -7.385 4.878 -8.157 154 H CYS 24 HN CYS 24 -5.999 3.180 -3.347 155 HA CYS 24 HA CYS 24 -3.184 2.729 -3.423 156 1HB CYS 24 HB2 CYS 24 -5.179 2.997 -1.430 157 2HB CYS 24 HB1 CYS 24 -4.408 1.436 -1.170 158 H ASN 25 HN ASN 25 -2.038 0.835 -3.486 159 HA ASN 25 HA ASN 25 -3.324 -1.723 -3.418 160 1HB ASN 25 HB2 ASN 25 -3.009 -0.409 -5.936 161 2HB ASN 25 HB1 ASN 25 -1.976 -1.833 -5.892 162 1HD2 ASN 25 1HD2 ASN 25 -4.403 -1.277 -7.437 163 2HD2 ASN 25 2HD2 ASN 25 -5.504 -2.554 -7.056 164 H CYS 26 HN CYS 26 -1.955 -3.080 -2.505 165 HA CYS 26 HA CYS 26 0.888 -2.399 -2.441 166 1HB CYS 26 HB2 CYS 26 0.991 -4.138 -0.634 167 2HB CYS 26 HB1 CYS 26 -0.061 -2.774 -0.271 168 H ASN 27 HN ASN 27 2.477 -3.699 -3.233 169 HA ASN 27 HA ASN 27 1.697 -6.254 -4.438 170 1HB ASN 27 HB2 ASN 27 3.129 -3.984 -5.796 171 2HB ASN 27 HB1 ASN 27 3.242 -5.641 -6.381 172 1HD2 ASN 27 1HD2 ASN 27 1.694 -2.822 -6.827 173 2HD2 ASN 27 2HD2 ASN 27 0.211 -3.390 -7.508 174 H VAL 28 HN VAL 28 4.745 -4.571 -4.784 175 HA VAL 28 HA VAL 28 6.001 -6.519 -2.973 176 HB VAL 28 HB VAL 28 6.434 -7.196 -5.289 177 1HG1 VAL 28 1HG1 VAL 28 8.195 -5.432 -6.369 178 2HG1 VAL 28 2HG1 VAL 28 7.052 -4.344 -5.583 179 3HG1 VAL 28 3HG1 VAL 28 6.480 -5.513 -6.773 180 1HG2 VAL 28 1HG2 VAL 28 8.217 -7.114 -3.298 181 2HG2 VAL 28 2HG2 VAL 28 9.069 -6.119 -4.480 182 3HG2 VAL 28 3HG2 VAL 28 8.593 -7.767 -4.893 Start of MODEL 5 1 1H VAL 1 HT1 VAL 1 -10.492 5.974 4.195 2 2H VAL 1 HT2 VAL 1 -10.785 5.954 2.504 3 3H VAL 1 HT3 VAL 1 -9.985 7.291 3.223 4 HA VAL 1 HA VAL 1 -8.094 6.085 3.664 5 HB VAL 1 HB VAL 1 -7.991 3.629 3.072 6 1HG1 VAL 1 1HG1 VAL 1 -9.345 4.851 5.386 7 2HG1 VAL 1 2HG1 VAL 1 -7.936 3.793 5.321 8 3HG1 VAL 1 3HG1 VAL 1 -9.557 3.110 5.202 9 1HG2 VAL 1 1HG2 VAL 1 -10.035 3.560 1.712 10 2HG2 VAL 1 2HG2 VAL 1 -10.997 3.878 3.155 11 3HG2 VAL 1 3HG2 VAL 1 -10.077 2.379 3.021 12 H GLY 2 HN GLY 2 -6.639 6.491 2.134 13 1HA GLY 2 HA2 GLY 2 -7.080 5.578 -0.595 14 2HA GLY 2 HA1 GLY 2 -6.998 7.318 -0.369 15 H CYS 3 HN CYS 3 -5.034 8.284 0.194 16 HA CYS 3 HA CYS 3 -2.689 6.558 -0.242 17 1HB CYS 3 HB2 CYS 3 -3.410 8.712 -1.711 18 2HB CYS 3 HB1 CYS 3 -2.388 9.490 -0.508 19 H GLU 4 HN GLU 4 -4.251 8.641 1.996 20 HA GLU 4 HA GLU 4 -1.866 9.173 3.540 21 1HB GLU 4 HB2 GLU 4 -4.774 9.814 3.938 22 2HB GLU 4 HB1 GLU 4 -3.561 10.173 5.158 23 1HG GLU 4 HG2 GLU 4 -3.261 11.163 2.351 24 2HG GLU 4 HG1 GLU 4 -4.259 12.025 3.522 25 H GLU 5 HN GLU 5 -3.582 6.505 3.137 26 HA GLU 5 HA GLU 5 -2.994 5.538 5.835 27 1HB GLU 5 HB2 GLU 5 -5.578 5.226 4.329 28 2HB GLU 5 HB1 GLU 5 -5.112 4.105 5.599 29 1HG GLU 5 HG2 GLU 5 -5.028 6.996 6.230 30 2HG GLU 5 HG1 GLU 5 -6.611 6.240 6.058 31 H CYS 6 HN CYS 6 -1.470 5.271 3.443 32 HA CYS 6 HA CYS 6 -1.925 2.692 2.321 33 1HB CYS 6 HB2 CYS 6 0.008 4.868 1.944 34 2HB CYS 6 HB1 CYS 6 0.639 3.256 1.627 35 HA PRO 7 HA PRO 7 2.184 1.828 5.018 36 1HB PRO 7 HB2 PRO 7 1.174 3.527 7.259 37 2HB PRO 7 HB1 PRO 7 2.837 3.190 6.765 38 1HG PRO 7 HG2 PRO 7 1.665 5.517 6.168 39 2HG PRO 7 HG1 PRO 7 2.779 4.727 5.038 40 1HD PRO 7 HD2 PRO 7 -0.182 4.963 4.916 41 2HD PRO 7 HD1 PRO 7 0.993 4.827 3.600 42 H MET 8 HN MET 8 -0.749 2.649 6.889 43 HA MET 8 HA MET 8 -0.709 0.399 8.541 44 1HB MET 8 HB2 MET 8 -2.753 2.406 7.753 45 2HB MET 8 HB1 MET 8 -3.332 0.927 8.506 46 1HG MET 8 HG2 MET 8 -1.486 1.464 10.278 47 2HG MET 8 HG1 MET 8 -1.647 3.100 9.641 48 1HE MET 8 HE1 MET 8 -5.343 3.936 10.235 49 2HE MET 8 HE2 MET 8 -4.074 3.907 9.010 50 3HE MET 8 HE3 MET 8 -3.812 4.761 10.531 51 H HIS 9 HN HIS 9 -1.880 0.815 5.284 52 HA HIS 9 HA HIS 9 -3.248 -1.749 5.291 53 1HB HIS 9 HB2 HIS 9 -2.925 0.454 3.271 54 2HB HIS 9 HB1 HIS 9 -3.537 -1.125 2.791 55 HD1 HIS 9 HD1 HIS 9 -5.308 -1.636 5.325 56 HD2 HIS 9 HD2 HIS 9 -5.273 1.860 3.080 57 HE1 HIS 9 HE1 HIS 9 -7.532 -0.541 5.749 58 HE2 HIS 9 HE2 HIS 9 -7.454 1.614 4.448 59 H CYS 10 HN CYS 10 -2.615 -3.555 4.138 60 HA CYS 10 HA CYS 10 -1.157 -5.095 3.333 61 1HB CYS 10 HB2 CYS 10 -0.696 -2.653 1.738 62 2HB CYS 10 HB1 CYS 10 0.570 -3.868 1.652 63 H LYS 11 HN LYS 11 0.107 -5.859 4.924 64 HA LYS 11 HA LYS 11 2.712 -4.573 5.306 65 1HB LYS 11 HB2 LYS 11 0.848 -5.430 7.523 66 2HB LYS 11 HB1 LYS 11 2.547 -5.047 7.763 67 1HG LYS 11 HG2 LYS 11 1.880 -2.796 6.595 68 2HG LYS 11 HG1 LYS 11 0.264 -3.245 7.143 69 1HD LYS 11 HD2 LYS 11 1.122 -1.945 8.889 70 2HD LYS 11 HD1 LYS 11 1.350 -3.607 9.436 71 1HE LYS 11 HE2 LYS 11 3.681 -3.526 8.669 72 2HE LYS 11 HE1 LYS 11 3.446 -1.855 8.156 73 1HZ LYS 11 HZ1 LYS 11 3.665 -2.955 10.864 74 2HZ LYS 11 HZ2 LYS 11 2.703 -1.582 10.634 75 3HZ LYS 11 HZ3 LYS 11 4.341 -1.546 10.214 76 H GLY 12 HN GLY 12 4.208 -6.018 4.804 77 1HA GLY 12 HA2 GLY 12 3.919 -8.762 5.792 78 2HA GLY 12 HA1 GLY 12 4.185 -8.517 4.073 79 H LYS 13 HN LYS 13 6.214 -8.073 3.331 80 HA LYS 13 HA LYS 13 8.325 -7.279 5.079 81 1HB LYS 13 HB2 LYS 13 7.844 -10.079 4.639 82 2HB LYS 13 HB1 LYS 13 9.402 -9.630 3.960 83 1HG LYS 13 HG2 LYS 13 9.563 -8.406 6.350 84 2HG LYS 13 HG1 LYS 13 8.526 -9.772 6.765 85 1HD LYS 13 HD2 LYS 13 10.482 -10.857 7.036 86 2HD LYS 13 HD1 LYS 13 10.421 -11.009 5.279 87 1HE LYS 13 HE2 LYS 13 11.670 -8.609 6.561 88 2HE LYS 13 HE1 LYS 13 12.578 -10.112 6.400 89 1HZ LYS 13 HZ1 LYS 13 11.235 -8.844 4.090 90 2HZ LYS 13 HZ2 LYS 13 12.460 -10.010 4.081 91 3HZ LYS 13 HZ3 LYS 13 12.808 -8.422 4.549 92 H ASN 14 HN ASN 14 7.431 -8.624 1.944 93 HA ASN 14 HA ASN 14 9.352 -6.811 0.712 94 1HB ASN 14 HB2 ASN 14 8.781 -9.686 0.099 95 2HB ASN 14 HB1 ASN 14 9.300 -8.612 -1.196 96 1HD2 ASN 14 1HD2 ASN 14 11.348 -9.024 -1.597 97 2HD2 ASN 14 2HD2 ASN 14 12.602 -9.182 -0.419 98 H ALA 15 HN ALA 15 6.624 -6.369 1.400 99 HA ALA 15 HA ALA 15 5.457 -6.087 -1.285 100 1HB ALA 15 HB1 ALA 15 3.455 -6.834 -0.596 101 2HB ALA 15 HB2 ALA 15 3.581 -6.028 0.968 102 3HB ALA 15 HB3 ALA 15 4.381 -7.578 0.708 103 H LYS 16 HN LYS 16 5.974 -4.011 -1.779 104 HA LYS 16 HA LYS 16 5.585 -1.932 0.222 105 1HB LYS 16 HB2 LYS 16 7.645 -1.806 -1.009 106 2HB LYS 16 HB1 LYS 16 6.790 -1.870 -2.543 107 1HG LYS 16 HG2 LYS 16 5.659 0.321 -1.453 108 2HG LYS 16 HG1 LYS 16 7.264 0.391 -0.724 109 1HD LYS 16 HD2 LYS 16 7.330 1.635 -2.764 110 2HD LYS 16 HD1 LYS 16 8.230 0.138 -3.015 111 1HE LYS 16 HE2 LYS 16 6.611 -0.761 -4.389 112 2HE LYS 16 HE1 LYS 16 5.328 0.237 -3.706 113 1HZ LYS 16 HZ1 LYS 16 6.128 2.123 -4.877 114 2HZ LYS 16 HZ2 LYS 16 6.031 0.859 -5.997 115 3HZ LYS 16 HZ3 LYS 16 7.533 1.319 -5.370 116 HA PRO 17 HA PRO 17 1.598 -0.936 -1.463 117 1HB PRO 17 HB2 PRO 17 1.171 1.366 -0.124 118 2HB PRO 17 HB1 PRO 17 1.095 -0.215 0.662 119 1HG PRO 17 HG2 PRO 17 3.315 1.792 0.652 120 2HG PRO 17 HG1 PRO 17 2.693 0.819 1.997 121 1HD PRO 17 HD2 PRO 17 4.952 0.179 0.606 122 2HD PRO 17 HD1 PRO 17 3.913 -1.029 1.388 123 H THR 18 HN THR 18 0.800 0.244 -3.122 124 HA THR 18 HA THR 18 2.407 2.499 -4.106 125 HB THR 18 HB THR 18 1.062 1.398 -6.273 126 HG1 THR 18 HG1 THR 18 2.490 -0.600 -4.874 127 1HG2 THR 18 1HG2 THR 18 3.952 0.976 -5.630 128 2HG2 THR 18 2HG2 THR 18 3.294 2.494 -6.242 129 3HG2 THR 18 3HG2 THR 18 3.191 1.030 -7.220 130 H CYS 19 HN CYS 19 1.325 4.265 -4.906 131 HA CYS 19 HA CYS 19 -1.537 4.328 -4.286 132 1HB CYS 19 HB2 CYS 19 0.289 6.008 -3.385 133 2HB CYS 19 HB1 CYS 19 0.016 6.794 -4.935 134 H ASP 20 HN ASP 20 -2.888 4.091 -5.932 135 HA ASP 20 HA ASP 20 -2.188 5.254 -8.516 136 1HB ASP 20 HB2 ASP 20 -2.083 2.647 -8.234 137 2HB ASP 20 HB1 ASP 20 -3.833 2.768 -8.363 138 H ASP 21 HN ASP 21 -3.503 6.995 -8.574 139 HA ASP 21 HA ASP 21 -5.389 8.272 -8.523 140 1HB ASP 21 HB2 ASP 21 -6.523 5.621 -9.425 141 2HB ASP 21 HB1 ASP 21 -7.468 7.106 -9.386 142 H GLY 22 HN GLY 22 -4.694 7.684 -6.037 143 1HA GLY 22 HA2 GLY 22 -5.496 7.717 -3.905 144 2HA GLY 22 HA1 GLY 22 -7.093 7.866 -4.605 145 H VAL 23 HN VAL 23 -5.360 5.149 -5.698 146 HA VAL 23 HA VAL 23 -6.862 3.426 -3.838 147 HB VAL 23 HB VAL 23 -5.981 2.735 -6.643 148 1HG1 VAL 23 1HG1 VAL 23 -6.533 1.026 -4.617 149 2HG1 VAL 23 2HG1 VAL 23 -6.794 0.661 -6.323 150 3HG1 VAL 23 3HG1 VAL 23 -8.135 1.228 -5.327 151 1HG2 VAL 23 1HG2 VAL 23 -8.851 2.981 -6.058 152 2HG2 VAL 23 2HG2 VAL 23 -7.936 3.467 -7.485 153 3HG2 VAL 23 3HG2 VAL 23 -7.952 4.499 -6.054 154 H CYS 24 HN CYS 24 -5.417 2.853 -2.312 155 HA CYS 24 HA CYS 24 -2.649 2.386 -2.903 156 1HB CYS 24 HB2 CYS 24 -3.668 3.248 -0.698 157 2HB CYS 24 HB1 CYS 24 -4.036 1.560 -0.362 158 H ASN 25 HN ASN 25 -1.588 0.487 -3.171 159 HA ASN 25 HA ASN 25 -2.791 -2.040 -2.568 160 1HB ASN 25 HB2 ASN 25 -3.161 -0.931 -5.175 161 2HB ASN 25 HB1 ASN 25 -2.135 -2.356 -5.294 162 1HD2 ASN 25 1HD2 ASN 25 -3.753 -3.493 -6.372 163 2HD2 ASN 25 2HD2 ASN 25 -5.139 -4.111 -5.546 164 H CYS 26 HN CYS 26 -1.218 -3.342 -1.946 165 HA CYS 26 HA CYS 26 1.538 -2.630 -2.479 166 1HB CYS 26 HB2 CYS 26 2.081 -4.423 -0.882 167 2HB CYS 26 HB1 CYS 26 0.905 -3.295 -0.216 168 H ASN 27 HN ASN 27 3.070 -3.954 -3.483 169 HA ASN 27 HA ASN 27 1.976 -6.172 -5.074 170 1HB ASN 27 HB2 ASN 27 3.805 -3.947 -5.943 171 2HB ASN 27 HB1 ASN 27 3.705 -5.466 -6.828 172 1HD2 ASN 27 1HD2 ASN 27 1.859 -2.693 -5.718 173 2HD2 ASN 27 2HD2 ASN 27 0.639 -2.782 -6.938 174 H VAL 28 HN VAL 28 5.246 -4.912 -4.896 175 HA VAL 28 HA VAL 28 6.135 -7.159 -3.285 176 HB VAL 28 HB VAL 28 6.193 -8.070 -5.559 177 1HG1 VAL 28 1HG1 VAL 28 8.256 -6.844 -6.870 178 2HG1 VAL 28 2HG1 VAL 28 7.412 -5.479 -6.139 179 3HG1 VAL 28 3HG1 VAL 28 6.542 -6.588 -7.199 180 1HG2 VAL 28 1HG2 VAL 28 8.141 -9.155 -5.215 181 2HG2 VAL 28 2HG2 VAL 28 8.136 -8.254 -3.699 182 3HG2 VAL 28 3HG2 VAL 28 9.070 -7.663 -5.073 Start of MODEL 6 1 1H VAL 1 HT1 VAL 1 -10.476 2.465 -0.082 2 2H VAL 1 HT2 VAL 1 -9.894 3.667 -1.161 3 3H VAL 1 HT3 VAL 1 -10.891 4.110 0.164 4 HA VAL 1 HA VAL 1 -9.257 3.567 1.706 5 HB VAL 1 HB VAL 1 -7.023 2.758 0.961 6 1HG1 VAL 1 1HG1 VAL 1 -9.193 0.826 0.181 7 2HG1 VAL 1 2HG1 VAL 1 -8.860 1.275 1.853 8 3HG1 VAL 1 3HG1 VAL 1 -7.621 0.467 0.893 9 1HG2 VAL 1 1HG2 VAL 1 -7.218 3.464 -1.393 10 2HG2 VAL 1 2HG2 VAL 1 -8.419 2.200 -1.654 11 3HG2 VAL 1 3HG2 VAL 1 -6.762 1.768 -1.234 12 H GLY 2 HN GLY 2 -7.144 4.758 2.036 13 1HA GLY 2 HA2 GLY 2 -7.012 7.100 0.239 14 2HA GLY 2 HA1 GLY 2 -6.971 7.266 1.987 15 H CYS 3 HN CYS 3 -5.005 8.141 0.033 16 HA CYS 3 HA CYS 3 -2.773 6.445 -0.066 17 1HB CYS 3 HB2 CYS 3 -3.241 9.359 -0.439 18 2HB CYS 3 HB1 CYS 3 -1.580 8.830 -0.192 19 H GLU 4 HN GLU 4 -4.094 8.249 2.535 20 HA GLU 4 HA GLU 4 -1.624 8.389 4.025 21 1HB GLU 4 HB2 GLU 4 -3.632 10.038 4.094 22 2HB GLU 4 HB1 GLU 4 -4.333 8.864 5.199 23 1HG GLU 4 HG2 GLU 4 -2.668 9.205 6.804 24 2HG GLU 4 HG1 GLU 4 -1.599 10.003 5.650 25 H GLU 5 HN GLU 5 -3.520 5.918 3.295 26 HA GLU 5 HA GLU 5 -2.968 4.539 5.823 27 1HB GLU 5 HB2 GLU 5 -5.492 4.521 4.198 28 2HB GLU 5 HB1 GLU 5 -5.082 3.162 5.235 29 1HG GLU 5 HG2 GLU 5 -4.880 5.764 6.549 30 2HG GLU 5 HG1 GLU 5 -6.503 5.356 5.993 31 H CYS 6 HN CYS 6 -1.535 4.691 3.229 32 HA CYS 6 HA CYS 6 -1.885 2.196 1.910 33 1HB CYS 6 HB2 CYS 6 -0.372 4.583 1.494 34 2HB CYS 6 HB1 CYS 6 0.701 3.194 1.360 35 HA PRO 7 HA PRO 7 2.067 0.927 4.288 36 1HB PRO 7 HB2 PRO 7 3.014 2.585 6.203 37 2HB PRO 7 HB1 PRO 7 3.456 2.741 4.501 38 1HG PRO 7 HG2 PRO 7 1.528 4.335 6.113 39 2HG PRO 7 HG1 PRO 7 2.602 4.856 4.804 40 1HD PRO 7 HD2 PRO 7 -0.114 4.345 4.539 41 2HD PRO 7 HD1 PRO 7 1.044 4.370 3.202 42 H MET 8 HN MET 8 -0.793 2.049 5.648 43 HA MET 8 HA MET 8 -0.359 0.669 8.195 44 1HB MET 8 HB2 MET 8 -1.542 3.046 7.748 45 2HB MET 8 HB1 MET 8 -2.948 1.998 7.619 46 1HG MET 8 HG2 MET 8 -1.822 1.048 9.884 47 2HG MET 8 HG1 MET 8 -1.352 2.745 9.965 48 1HE MET 8 HE1 MET 8 -5.321 0.937 10.983 49 2HE MET 8 HE2 MET 8 -3.696 0.252 10.993 50 3HE MET 8 HE3 MET 8 -4.596 0.364 9.481 51 H HIS 9 HN HIS 9 -2.152 0.507 5.210 52 HA HIS 9 HA HIS 9 -3.911 -1.595 6.083 53 1HB HIS 9 HB2 HIS 9 -3.587 0.082 3.728 54 2HB HIS 9 HB1 HIS 9 -3.919 -1.590 3.296 55 HD1 HIS 9 HD1 HIS 9 -5.957 -2.414 5.352 56 HD2 HIS 9 HD2 HIS 9 -5.970 1.319 3.532 57 HE1 HIS 9 HE1 HIS 9 -8.319 -1.574 5.559 58 HE2 HIS 9 HE2 HIS 9 -8.281 0.726 4.533 59 H CYS 10 HN CYS 10 -1.368 -1.468 3.581 60 HA CYS 10 HA CYS 10 -1.075 -4.365 3.758 61 1HB CYS 10 HB2 CYS 10 -0.264 -2.271 1.791 62 2HB CYS 10 HB1 CYS 10 0.667 -3.764 1.851 63 H LYS 11 HN LYS 11 0.476 -5.303 4.911 64 HA LYS 11 HA LYS 11 3.069 -4.079 5.224 65 1HB LYS 11 HB2 LYS 11 3.055 -4.047 7.658 66 2HB LYS 11 HB1 LYS 11 1.793 -2.999 7.026 67 1HG LYS 11 HG2 LYS 11 0.440 -4.030 8.460 68 2HG LYS 11 HG1 LYS 11 0.488 -5.393 7.340 69 1HD LYS 11 HD2 LYS 11 2.444 -6.281 8.582 70 2HD LYS 11 HD1 LYS 11 2.262 -4.964 9.743 71 1HE LYS 11 HE2 LYS 11 -0.037 -5.766 10.215 72 2HE LYS 11 HE1 LYS 11 0.255 -7.134 9.141 73 1HZ LYS 11 HZ1 LYS 11 1.970 -7.921 10.577 74 2HZ LYS 11 HZ2 LYS 11 0.600 -7.631 11.526 75 3HZ LYS 11 HZ3 LYS 11 1.889 -6.535 11.545 76 H GLY 12 HN GLY 12 4.417 -5.694 4.843 77 1HA GLY 12 HA2 GLY 12 3.992 -8.252 6.203 78 2HA GLY 12 HA1 GLY 12 4.153 -8.259 4.453 79 H LYS 13 HN LYS 13 6.153 -8.023 3.529 80 HA LYS 13 HA LYS 13 8.429 -7.267 5.097 81 1HB LYS 13 HB2 LYS 13 7.785 -9.880 5.288 82 2HB LYS 13 HB1 LYS 13 8.799 -9.923 3.854 83 1HG LYS 13 HG2 LYS 13 10.210 -10.365 5.691 84 2HG LYS 13 HG1 LYS 13 10.552 -8.708 5.190 85 1HD LYS 13 HD2 LYS 13 8.687 -8.166 6.989 86 2HD LYS 13 HD1 LYS 13 9.210 -9.719 7.644 87 1HE LYS 13 HE2 LYS 13 10.674 -8.368 8.740 88 2HE LYS 13 HE1 LYS 13 11.604 -8.637 7.267 89 1HZ LYS 13 HZ1 LYS 13 11.667 -6.347 7.601 90 2HZ LYS 13 HZ2 LYS 13 10.036 -6.254 8.039 91 3HZ LYS 13 HZ3 LYS 13 10.463 -6.540 6.428 92 H ASN 14 HN ASN 14 7.212 -8.619 2.081 93 HA ASN 14 HA ASN 14 9.168 -6.997 0.659 94 1HB ASN 14 HB2 ASN 14 9.125 -9.765 0.635 95 2HB ASN 14 HB1 ASN 14 8.247 -9.337 -0.830 96 1HD2 ASN 14 1HD2 ASN 14 10.893 -10.568 -0.426 97 2HD2 ASN 14 2HD2 ASN 14 12.003 -9.570 -1.297 98 H ALA 15 HN ALA 15 6.531 -6.355 1.508 99 HA ALA 15 HA ALA 15 5.249 -6.012 -1.114 100 1HB ALA 15 HB1 ALA 15 4.130 -7.090 1.377 101 2HB ALA 15 HB2 ALA 15 3.639 -7.351 -0.296 102 3HB ALA 15 HB3 ALA 15 3.124 -5.896 0.557 103 H LYS 16 HN LYS 16 5.675 -3.926 -1.575 104 HA LYS 16 HA LYS 16 5.356 -1.926 0.540 105 1HB LYS 16 HB2 LYS 16 7.459 -1.765 -0.594 106 2HB LYS 16 HB1 LYS 16 6.677 -1.791 -2.168 107 1HG LYS 16 HG2 LYS 16 5.652 0.386 -1.677 108 2HG LYS 16 HG1 LYS 16 6.484 0.410 -0.121 109 1HD LYS 16 HD2 LYS 16 8.066 0.022 -2.623 110 2HD LYS 16 HD1 LYS 16 7.508 1.640 -2.194 111 1HE LYS 16 HE2 LYS 16 9.648 1.474 -1.249 112 2HE LYS 16 HE1 LYS 16 8.539 1.209 0.095 113 1HZ LYS 16 HZ1 LYS 16 10.593 -0.382 -0.439 114 2HZ LYS 16 HZ2 LYS 16 9.396 -1.168 -1.339 115 3HZ LYS 16 HZ3 LYS 16 9.181 -0.922 0.321 116 HA PRO 17 HA PRO 17 1.466 -0.753 -1.265 117 1HB PRO 17 HB2 PRO 17 0.997 1.454 0.201 118 2HB PRO 17 HB1 PRO 17 0.899 -0.169 0.896 119 1HG PRO 17 HG2 PRO 17 3.120 1.831 1.061 120 2HG PRO 17 HG1 PRO 17 2.451 0.796 2.335 121 1HD PRO 17 HD2 PRO 17 4.751 0.218 0.979 122 2HD PRO 17 HD1 PRO 17 3.691 -1.021 1.681 123 H THR 18 HN THR 18 0.700 0.635 -2.816 124 HA THR 18 HA THR 18 2.359 2.940 -3.533 125 HB THR 18 HB THR 18 2.884 0.979 -4.993 126 HG1 THR 18 HG1 THR 18 3.181 2.325 -6.590 127 1HG2 THR 18 1HG2 THR 18 0.721 1.179 -6.777 128 2HG2 THR 18 2HG2 THR 18 0.068 0.834 -5.177 129 3HG2 THR 18 3HG2 THR 18 1.281 -0.233 -5.882 130 H CYS 19 HN CYS 19 1.273 4.614 -4.685 131 HA CYS 19 HA CYS 19 -1.629 4.590 -4.215 132 1HB CYS 19 HB2 CYS 19 0.449 6.718 -4.108 133 2HB CYS 19 HB1 CYS 19 -1.173 7.179 -4.611 134 H ASP 20 HN ASP 20 -2.857 4.323 -5.949 135 HA ASP 20 HA ASP 20 -1.971 5.443 -8.496 136 1HB ASP 20 HB2 ASP 20 -1.895 2.842 -8.158 137 2HB ASP 20 HB1 ASP 20 -3.631 2.963 -8.416 138 H ASP 21 HN ASP 21 -3.271 7.187 -8.682 139 HA ASP 21 HA ASP 21 -5.153 8.470 -8.782 140 1HB ASP 21 HB2 ASP 21 -5.937 5.839 -9.937 141 2HB ASP 21 HB1 ASP 21 -7.224 6.995 -9.606 142 H GLY 22 HN GLY 22 -4.641 7.913 -6.247 143 1HA GLY 22 HA2 GLY 22 -5.591 7.965 -4.177 144 2HA GLY 22 HA1 GLY 22 -7.133 8.116 -4.990 145 H VAL 23 HN VAL 23 -5.303 5.381 -5.899 146 HA VAL 23 HA VAL 23 -6.952 3.681 -4.144 147 HB VAL 23 HB VAL 23 -5.898 2.967 -6.881 148 1HG1 VAL 23 1HG1 VAL 23 -7.341 1.031 -6.714 149 2HG1 VAL 23 2HG1 VAL 23 -7.919 1.564 -5.136 150 3HG1 VAL 23 3HG1 VAL 23 -6.238 1.072 -5.338 151 1HG2 VAL 23 1HG2 VAL 23 -8.780 3.479 -6.239 152 2HG2 VAL 23 2HG2 VAL 23 -7.980 3.439 -7.810 153 3HG2 VAL 23 3HG2 VAL 23 -7.708 4.795 -6.717 154 H CYS 24 HN CYS 24 -5.612 3.096 -2.526 155 HA CYS 24 HA CYS 24 -2.817 2.676 -2.859 156 1HB CYS 24 HB2 CYS 24 -4.785 2.397 -0.655 157 2HB CYS 24 HB1 CYS 24 -3.312 1.443 -0.518 158 H ASN 25 HN ASN 25 -1.658 0.811 -3.107 159 HA ASN 25 HA ASN 25 -2.875 -1.774 -2.910 160 1HB ASN 25 HB2 ASN 25 -2.900 -0.434 -5.432 161 2HB ASN 25 HB1 ASN 25 -1.832 -1.828 -5.532 162 1HD2 ASN 25 1HD2 ASN 25 -5.069 -0.826 -4.560 163 2HD2 ASN 25 2HD2 ASN 25 -5.836 -2.332 -4.916 164 H CYS 26 HN CYS 26 -1.382 -3.115 -2.192 165 HA CYS 26 HA CYS 26 1.433 -2.372 -2.421 166 1HB CYS 26 HB2 CYS 26 1.787 -4.148 -0.710 167 2HB CYS 26 HB1 CYS 26 0.678 -2.887 -0.184 168 H ASN 27 HN ASN 27 3.027 -3.794 -3.195 169 HA ASN 27 HA ASN 27 2.097 -6.191 -4.588 170 1HB ASN 27 HB2 ASN 27 3.449 -3.826 -5.824 171 2HB ASN 27 HB1 ASN 27 3.727 -5.434 -6.486 172 1HD2 ASN 27 1HD2 ASN 27 2.687 -3.914 -8.244 173 2HD2 ASN 27 2HD2 ASN 27 0.984 -4.131 -8.438 174 H VAL 28 HN VAL 28 5.208 -4.625 -4.926 175 HA VAL 28 HA VAL 28 6.428 -6.843 -3.418 176 HB VAL 28 HB VAL 28 7.710 -5.379 -5.724 177 1HG1 VAL 28 1HG1 VAL 28 8.530 -7.562 -3.892 178 2HG1 VAL 28 2HG1 VAL 28 9.487 -6.273 -4.621 179 3HG1 VAL 28 3HG1 VAL 28 9.028 -7.681 -5.579 180 1HG2 VAL 28 1HG2 VAL 28 6.513 -8.143 -5.789 181 2HG2 VAL 28 2HG2 VAL 28 7.180 -7.222 -7.137 182 3HG2 VAL 28 3HG2 VAL 28 5.678 -6.704 -6.373 Start of MODEL 7 1 1H VAL 1 HT1 VAL 1 -7.611 1.542 -1.324 2 2H VAL 1 HT2 VAL 1 -9.255 1.780 -0.896 3 3H VAL 1 HT3 VAL 1 -8.450 0.332 -0.447 4 HA VAL 1 HA VAL 1 -8.807 2.166 1.257 5 HB VAL 1 HB VAL 1 -6.503 1.648 2.225 6 1HG1 VAL 1 1HG1 VAL 1 -7.861 -0.889 1.450 7 2HG1 VAL 1 2HG1 VAL 1 -8.752 0.307 2.391 8 3HG1 VAL 1 3HG1 VAL 1 -7.251 -0.371 3.021 9 1HG2 VAL 1 1HG2 VAL 1 -4.952 0.514 1.061 10 2HG2 VAL 1 2HG2 VAL 1 -5.840 1.081 -0.353 11 3HG2 VAL 1 3HG2 VAL 1 -6.148 -0.530 0.294 12 H GLY 2 HN GLY 2 -7.311 3.766 2.355 13 1HA GLY 2 HA2 GLY 2 -6.835 5.930 0.570 14 2HA GLY 2 HA1 GLY 2 -6.440 5.895 2.282 15 H CYS 3 HN CYS 3 -4.714 7.201 0.761 16 HA CYS 3 HA CYS 3 -2.566 5.379 -0.008 17 1HB CYS 3 HB2 CYS 3 -3.305 8.156 -0.657 18 2HB CYS 3 HB1 CYS 3 -1.577 7.879 -0.472 19 H GLU 4 HN GLU 4 -3.419 7.675 2.464 20 HA GLU 4 HA GLU 4 -0.734 7.632 3.591 21 1HB GLU 4 HB2 GLU 4 -3.233 9.145 4.298 22 2HB GLU 4 HB1 GLU 4 -1.783 9.200 5.290 23 1HG GLU 4 HG2 GLU 4 -1.465 11.058 4.017 24 2HG GLU 4 HG1 GLU 4 -0.646 9.860 3.016 25 H GLU 5 HN GLU 5 -3.189 5.590 3.660 26 HA GLU 5 HA GLU 5 -2.585 4.703 6.387 27 1HB GLU 5 HB2 GLU 5 -5.286 4.918 5.080 28 2HB GLU 5 HB1 GLU 5 -4.999 3.856 6.451 29 1HG GLU 5 HG2 GLU 5 -4.788 5.575 7.922 30 2HG GLU 5 HG1 GLU 5 -4.163 6.687 6.705 31 H CYS 6 HN CYS 6 -1.537 3.897 3.762 32 HA CYS 6 HA CYS 6 -2.683 1.353 3.154 33 1HB CYS 6 HB2 CYS 6 -0.926 3.128 1.873 34 2HB CYS 6 HB1 CYS 6 -0.024 1.636 2.111 35 HA PRO 7 HA PRO 7 1.692 -0.015 5.119 36 1HB PRO 7 HB2 PRO 7 1.550 2.142 7.182 37 2HB PRO 7 HB1 PRO 7 2.965 1.391 6.437 38 1HG PRO 7 HG2 PRO 7 2.135 3.818 5.685 39 2HG PRO 7 HG1 PRO 7 2.797 2.664 4.513 40 1HD PRO 7 HD2 PRO 7 -0.018 3.518 4.936 41 2HD PRO 7 HD1 PRO 7 0.781 2.959 3.459 42 H MET 8 HN MET 8 -1.130 1.317 6.728 43 HA MET 8 HA MET 8 -0.957 -0.512 8.956 44 1HB MET 8 HB2 MET 8 -2.070 1.926 8.716 45 2HB MET 8 HB1 MET 8 -3.487 0.932 8.407 46 1HG MET 8 HG2 MET 8 -3.472 0.017 10.526 47 2HG MET 8 HG1 MET 8 -1.768 0.383 10.784 48 1HE MET 8 HE1 MET 8 -5.395 1.491 11.411 49 2HE MET 8 HE2 MET 8 -5.091 2.246 9.846 50 3HE MET 8 HE3 MET 8 -5.321 3.248 11.278 51 H HIS 9 HN HIS 9 -2.581 -0.337 5.877 52 HA HIS 9 HA HIS 9 -4.311 -2.589 6.506 53 1HB HIS 9 HB2 HIS 9 -3.993 -0.924 4.003 54 2HB HIS 9 HB1 HIS 9 -5.129 -2.260 4.160 55 HD1 HIS 9 HD1 HIS 9 -6.338 -1.699 6.891 56 HD2 HIS 9 HD2 HIS 9 -5.603 1.257 4.065 57 HE1 HIS 9 HE1 HIS 9 -7.890 0.191 7.476 58 HE2 HIS 9 HE2 HIS 9 -7.484 1.936 5.704 59 H CYS 10 HN CYS 10 -1.381 -1.885 4.741 60 HA CYS 10 HA CYS 10 -1.110 -4.757 4.163 61 1HB CYS 10 HB2 CYS 10 -0.761 -2.429 2.322 62 2HB CYS 10 HB1 CYS 10 0.283 -3.831 2.116 63 H LYS 11 HN LYS 11 0.621 -5.589 5.113 64 HA LYS 11 HA LYS 11 2.500 -4.087 6.544 65 1HB LYS 11 HB2 LYS 11 3.776 -6.206 6.711 66 2HB LYS 11 HB1 LYS 11 2.072 -6.401 7.101 67 1HG LYS 11 HG2 LYS 11 2.599 -6.869 4.291 68 2HG LYS 11 HG1 LYS 11 3.552 -7.927 5.334 69 1HD LYS 11 HD2 LYS 11 1.499 -8.601 6.503 70 2HD LYS 11 HD1 LYS 11 0.557 -7.561 5.433 71 1HE LYS 11 HE2 LYS 11 0.312 -9.541 4.331 72 2HE LYS 11 HE1 LYS 11 1.799 -8.975 3.571 73 1HZ LYS 11 HZ1 LYS 11 2.950 -10.272 5.433 74 2HZ LYS 11 HZ2 LYS 11 2.268 -11.151 4.160 75 3HZ LYS 11 HZ3 LYS 11 1.462 -11.049 5.643 76 H GLY 12 HN GLY 12 4.585 -3.430 6.119 77 1HA GLY 12 HA2 GLY 12 5.309 -3.409 3.265 78 2HA GLY 12 HA1 GLY 12 5.841 -2.229 4.453 79 H LYS 13 HN LYS 13 5.899 -5.780 4.431 80 HA LYS 13 HA LYS 13 8.789 -5.634 4.803 81 1HB LYS 13 HB2 LYS 13 7.555 -6.388 6.829 82 2HB LYS 13 HB1 LYS 13 6.951 -7.755 5.902 83 1HG LYS 13 HG2 LYS 13 8.731 -8.669 7.048 84 2HG LYS 13 HG1 LYS 13 9.449 -8.274 5.485 85 1HD LYS 13 HD2 LYS 13 10.520 -6.355 6.351 86 2HD LYS 13 HD1 LYS 13 9.556 -6.391 7.828 87 1HE LYS 13 HE2 LYS 13 10.722 -8.825 7.939 88 2HE LYS 13 HE1 LYS 13 11.973 -7.910 7.099 89 1HZ LYS 13 HZ1 LYS 13 11.745 -6.231 8.937 90 2HZ LYS 13 HZ2 LYS 13 12.424 -7.714 9.386 91 3HZ LYS 13 HZ3 LYS 13 10.813 -7.372 9.771 92 H ASN 14 HN ASN 14 6.191 -7.028 3.058 93 HA ASN 14 HA ASN 14 8.080 -8.298 1.281 94 1HB ASN 14 HB2 ASN 14 6.942 -9.938 3.025 95 2HB ASN 14 HB1 ASN 14 5.585 -9.820 1.908 96 1HD2 ASN 14 1HD2 ASN 14 5.534 -11.543 0.673 97 2HD2 ASN 14 2HD2 ASN 14 6.891 -12.299 -0.083 98 H ALA 15 HN ALA 15 6.501 -5.898 1.304 99 HA ALA 15 HA ALA 15 5.582 -5.871 -1.320 100 1HB ALA 15 HB1 ALA 15 3.075 -5.511 -0.684 101 2HB ALA 15 HB2 ALA 15 3.493 -6.505 0.711 102 3HB ALA 15 HB3 ALA 15 3.704 -7.142 -0.920 103 H LYS 16 HN LYS 16 5.539 -3.804 -1.976 104 HA LYS 16 HA LYS 16 5.438 -1.735 0.104 105 1HB LYS 16 HB2 LYS 16 7.505 -1.684 -1.104 106 2HB LYS 16 HB1 LYS 16 6.669 -1.729 -2.649 107 1HG LYS 16 HG2 LYS 16 5.699 0.500 -2.114 108 2HG LYS 16 HG1 LYS 16 6.714 0.538 -0.671 109 1HD LYS 16 HD2 LYS 16 8.545 -0.073 -2.577 110 2HD LYS 16 HD1 LYS 16 7.424 0.932 -3.498 111 1HE LYS 16 HE2 LYS 16 7.964 2.806 -2.360 112 2HE LYS 16 HE1 LYS 16 8.153 1.949 -0.831 113 1HZ LYS 16 HZ1 LYS 16 10.333 1.549 -1.219 114 2HZ LYS 16 HZ2 LYS 16 10.195 2.958 -2.144 115 3HZ LYS 16 HZ3 LYS 16 10.151 1.445 -2.898 116 HA PRO 17 HA PRO 17 1.511 -0.501 -1.574 117 1HB PRO 17 HB2 PRO 17 1.214 1.810 -0.210 118 2HB PRO 17 HB1 PRO 17 1.042 0.228 0.560 119 1HG PRO 17 HG2 PRO 17 3.384 2.093 0.568 120 2HG PRO 17 HG1 PRO 17 2.693 1.160 1.908 121 1HD PRO 17 HD2 PRO 17 4.911 0.373 0.539 122 2HD PRO 17 HD1 PRO 17 3.777 -0.771 1.286 123 H THR 18 HN THR 18 0.760 0.784 -3.196 124 HA THR 18 HA THR 18 2.470 2.985 -4.110 125 HB THR 18 HB THR 18 2.807 0.922 -5.484 126 HG1 THR 18 HG1 THR 18 3.196 2.266 -7.030 127 1HG2 THR 18 1HG2 THR 18 0.526 1.171 -7.131 128 2HG2 THR 18 2HG2 THR 18 -0.004 0.886 -5.475 129 3HG2 THR 18 3HG2 THR 18 1.108 -0.241 -6.249 130 H CYS 19 HN CYS 19 1.401 4.652 -5.291 131 HA CYS 19 HA CYS 19 -1.483 4.771 -4.712 132 1HB CYS 19 HB2 CYS 19 0.628 6.913 -4.854 133 2HB CYS 19 HB1 CYS 19 -1.086 7.300 -4.952 134 H ASP 20 HN ASP 20 -2.764 4.579 -6.418 135 HA ASP 20 HA ASP 20 -1.879 5.651 -8.985 136 1HB ASP 20 HB2 ASP 20 -1.897 3.049 -8.641 137 2HB ASP 20 HB1 ASP 20 -3.631 3.237 -8.868 138 H ASP 21 HN ASP 21 -3.113 7.452 -9.121 139 HA ASP 21 HA ASP 21 -4.947 8.803 -9.195 140 1HB ASP 21 HB2 ASP 21 -6.353 6.254 -10.021 141 2HB ASP 21 HB1 ASP 21 -6.897 7.899 -10.339 142 H GLY 22 HN GLY 22 -4.438 8.225 -6.667 143 1HA GLY 22 HA2 GLY 22 -5.373 8.309 -4.592 144 2HA GLY 22 HA1 GLY 22 -6.916 8.498 -5.394 145 H VAL 23 HN VAL 23 -5.218 5.717 -6.358 146 HA VAL 23 HA VAL 23 -6.880 4.061 -4.574 147 HB VAL 23 HB VAL 23 -5.850 3.306 -7.310 148 1HG1 VAL 23 1HG1 VAL 23 -6.594 1.644 -5.314 149 2HG1 VAL 23 2HG1 VAL 23 -6.786 1.275 -7.028 150 3HG1 VAL 23 3HG1 VAL 23 -8.147 1.913 -6.105 151 1HG2 VAL 23 1HG2 VAL 23 -8.561 4.316 -6.464 152 2HG2 VAL 23 2HG2 VAL 23 -8.226 3.555 -8.020 153 3HG2 VAL 23 3HG2 VAL 23 -7.441 5.076 -7.594 154 H CYS 24 HN CYS 24 -5.543 3.455 -2.958 155 HA CYS 24 HA CYS 24 -2.763 2.920 -3.366 156 1HB CYS 24 HB2 CYS 24 -4.160 3.650 -1.199 157 2HB CYS 24 HB1 CYS 24 -4.122 1.912 -0.924 158 H ASN 25 HN ASN 25 -1.682 0.940 -3.241 159 HA ASN 25 HA ASN 25 -3.117 -1.528 -3.021 160 1HB ASN 25 HB2 ASN 25 -2.765 -0.367 -5.609 161 2HB ASN 25 HB1 ASN 25 -1.821 -1.847 -5.505 162 1HD2 ASN 25 1HD2 ASN 25 -5.031 -0.481 -5.132 163 2HD2 ASN 25 2HD2 ASN 25 -5.893 -1.953 -5.408 164 H CYS 26 HN CYS 26 -1.817 -2.916 -2.058 165 HA CYS 26 HA CYS 26 1.056 -2.395 -2.027 166 1HB CYS 26 HB2 CYS 26 1.137 -3.923 -0.132 167 2HB CYS 26 HB1 CYS 26 -0.119 -2.717 0.124 168 H ASN 27 HN ASN 27 2.434 -3.528 -3.224 169 HA ASN 27 HA ASN 27 1.683 -6.234 -4.074 170 1HB ASN 27 HB2 ASN 27 2.411 -3.910 -5.776 171 2HB ASN 27 HB1 ASN 27 3.032 -5.489 -6.250 172 1HD2 ASN 27 1HD2 ASN 27 0.306 -3.435 -6.091 173 2HD2 ASN 27 2HD2 ASN 27 -0.830 -4.506 -6.831 174 H VAL 28 HN VAL 28 4.481 -4.333 -4.996 175 HA VAL 28 HA VAL 28 6.188 -5.898 -3.210 176 HB VAL 28 HB VAL 28 6.171 -7.139 -5.322 177 1HG1 VAL 28 1HG1 VAL 28 6.450 -6.239 -7.373 178 2HG1 VAL 28 2HG1 VAL 28 7.606 -5.033 -6.806 179 3HG1 VAL 28 3HG1 VAL 28 5.877 -4.777 -6.569 180 1HG2 VAL 28 1HG2 VAL 28 8.468 -7.472 -5.466 181 2HG2 VAL 28 2HG2 VAL 28 8.266 -6.778 -3.857 182 3HG2 VAL 28 3HG2 VAL 28 8.832 -5.769 -5.189 Start of MODEL 8 1 1H VAL 1 HT1 VAL 1 -9.355 6.441 -1.827 2 2H VAL 1 HT2 VAL 1 -9.818 4.826 -1.476 3 3H VAL 1 HT3 VAL 1 -8.261 5.154 -2.118 4 HA VAL 1 HA VAL 1 -9.295 5.982 0.508 5 HB VAL 1 HB VAL 1 -7.488 4.488 1.356 6 1HG1 VAL 1 1HG1 VAL 1 -9.964 3.859 1.012 7 2HG1 VAL 1 2HG1 VAL 1 -8.802 2.569 1.322 8 3HG1 VAL 1 3HG1 VAL 1 -9.369 2.868 -0.321 9 1HG2 VAL 1 1HG2 VAL 1 -6.150 4.455 -0.722 10 2HG2 VAL 1 2HG2 VAL 1 -7.398 3.467 -1.481 11 3HG2 VAL 1 3HG2 VAL 1 -6.494 2.839 -0.104 12 H GLY 2 HN GLY 2 -7.413 6.686 1.910 13 1HA GLY 2 HA2 GLY 2 -6.170 8.929 0.720 14 2HA GLY 2 HA1 GLY 2 -5.827 8.296 2.323 15 H CYS 3 HN CYS 3 -3.845 9.384 0.716 16 HA CYS 3 HA CYS 3 -2.406 7.181 -0.517 17 1HB CYS 3 HB2 CYS 3 -2.194 10.126 -0.503 18 2HB CYS 3 HB1 CYS 3 -0.660 9.266 -0.580 19 H GLU 4 HN GLU 4 -2.354 9.079 2.411 20 HA GLU 4 HA GLU 4 0.186 7.948 3.252 21 1HB GLU 4 HB2 GLU 4 -0.685 10.370 3.669 22 2HB GLU 4 HB1 GLU 4 -1.567 9.627 4.996 23 1HG GLU 4 HG2 GLU 4 0.868 8.636 5.487 24 2HG GLU 4 HG1 GLU 4 1.322 10.140 4.686 25 H GLU 5 HN GLU 5 -2.786 6.782 3.139 26 HA GLU 5 HA GLU 5 -2.609 5.393 5.718 27 1HB GLU 5 HB2 GLU 5 -4.956 6.123 3.994 28 2HB GLU 5 HB1 GLU 5 -5.076 4.831 5.180 29 1HG GLU 5 HG2 GLU 5 -4.081 7.529 5.987 30 2HG GLU 5 HG1 GLU 5 -5.809 7.225 5.818 31 H CYS 6 HN CYS 6 -1.342 4.801 3.000 32 HA CYS 6 HA CYS 6 -2.577 2.360 2.166 33 1HB CYS 6 HB2 CYS 6 -0.428 4.077 1.224 34 2HB CYS 6 HB1 CYS 6 -0.056 2.366 1.044 35 HA PRO 7 HA PRO 7 1.687 0.690 4.142 36 1HB PRO 7 HB2 PRO 7 1.560 2.693 6.355 37 2HB PRO 7 HB1 PRO 7 2.969 1.947 5.593 38 1HG PRO 7 HG2 PRO 7 2.248 4.452 5.004 39 2HG PRO 7 HG1 PRO 7 2.900 3.364 3.766 40 1HD PRO 7 HD2 PRO 7 0.105 4.285 4.186 41 2HD PRO 7 HD1 PRO 7 0.924 3.818 2.688 42 H MET 8 HN MET 8 -1.136 2.005 5.758 43 HA MET 8 HA MET 8 -1.109 0.137 7.927 44 1HB MET 8 HB2 MET 8 -2.237 2.455 7.825 45 2HB MET 8 HB1 MET 8 -3.539 1.633 6.975 46 1HG MET 8 HG2 MET 8 -3.352 0.007 9.065 47 2HG MET 8 HG1 MET 8 -2.721 1.472 9.814 48 1HE MET 8 HE1 MET 8 -5.452 1.031 6.995 49 2HE MET 8 HE2 MET 8 -6.926 1.060 7.962 50 3HE MET 8 HE3 MET 8 -5.784 -0.272 8.136 51 H HIS 9 HN HIS 9 -2.458 0.206 4.713 52 HA HIS 9 HA HIS 9 -4.311 -1.925 5.086 53 1HB HIS 9 HB2 HIS 9 -3.287 -0.334 2.817 54 2HB HIS 9 HB1 HIS 9 -3.846 -1.953 2.412 55 HD1 HIS 9 HD1 HIS 9 -6.307 -2.240 4.129 56 HD2 HIS 9 HD2 HIS 9 -5.345 1.270 2.129 57 HE1 HIS 9 HE1 HIS 9 -8.478 -0.997 3.873 58 HE2 HIS 9 HE2 HIS 9 -7.859 1.160 2.727 59 H CYS 10 HN CYS 10 -1.575 -2.008 2.823 60 HA CYS 10 HA CYS 10 -1.270 -4.849 3.305 61 1HB CYS 10 HB2 CYS 10 -1.047 -3.412 1.049 62 2HB CYS 10 HB1 CYS 10 0.640 -3.398 1.552 63 H LYS 11 HN LYS 11 0.282 -5.797 4.481 64 HA LYS 11 HA LYS 11 2.752 -4.444 5.107 65 1HB LYS 11 HB2 LYS 11 0.682 -4.992 7.229 66 2HB LYS 11 HB1 LYS 11 2.387 -4.781 7.603 67 1HG LYS 11 HG2 LYS 11 2.059 -2.562 6.215 68 2HG LYS 11 HG1 LYS 11 0.378 -2.791 6.703 69 1HD LYS 11 HD2 LYS 11 1.127 -1.567 8.481 70 2HD LYS 11 HD1 LYS 11 1.498 -3.189 9.067 71 1HE LYS 11 HE2 LYS 11 3.460 -1.440 7.593 72 2HE LYS 11 HE1 LYS 11 3.343 -1.520 9.350 73 1HZ LYS 11 HZ1 LYS 11 5.056 -2.989 8.672 74 2HZ LYS 11 HZ2 LYS 11 4.079 -3.715 7.498 75 3HZ LYS 11 HZ3 LYS 11 3.747 -3.955 9.138 76 H GLY 12 HN GLY 12 4.241 -5.961 4.849 77 1HA GLY 12 HA2 GLY 12 3.822 -8.591 6.057 78 2HA GLY 12 HA1 GLY 12 4.156 -8.524 4.334 79 H LYS 13 HN LYS 13 6.219 -8.083 3.619 80 HA LYS 13 HA LYS 13 8.285 -7.263 5.407 81 1HB LYS 13 HB2 LYS 13 7.764 -10.068 5.059 82 2HB LYS 13 HB1 LYS 13 9.354 -9.675 4.421 83 1HG LYS 13 HG2 LYS 13 9.837 -8.541 6.612 84 2HG LYS 13 HG1 LYS 13 8.333 -9.241 7.214 85 1HD LYS 13 HD2 LYS 13 10.130 -10.682 7.862 86 2HD LYS 13 HD1 LYS 13 9.218 -11.491 6.585 87 1HE LYS 13 HE2 LYS 13 11.468 -9.807 5.693 88 2HE LYS 13 HE1 LYS 13 11.905 -11.254 6.600 89 1HZ LYS 13 HZ1 LYS 13 10.106 -12.241 4.897 90 2HZ LYS 13 HZ2 LYS 13 11.769 -12.210 4.589 91 3HZ LYS 13 HZ3 LYS 13 10.768 -11.007 3.946 92 H ASN 14 HN ASN 14 7.382 -8.583 2.284 93 HA ASN 14 HA ASN 14 9.403 -6.886 1.063 94 1HB ASN 14 HB2 ASN 14 8.962 -9.791 0.689 95 2HB ASN 14 HB1 ASN 14 9.224 -8.855 -0.780 96 1HD2 ASN 14 1HD2 ASN 14 10.891 -10.885 0.510 97 2HD2 ASN 14 2HD2 ASN 14 12.420 -10.131 0.789 98 H ALA 15 HN ALA 15 6.652 -6.438 1.666 99 HA ALA 15 HA ALA 15 5.696 -5.925 -1.047 100 1HB ALA 15 HB1 ALA 15 4.247 -7.629 -0.785 101 2HB ALA 15 HB2 ALA 15 3.339 -6.444 0.154 102 3HB ALA 15 HB3 ALA 15 4.380 -7.608 0.973 103 H LYS 16 HN LYS 16 5.621 -3.767 -1.150 104 HA LYS 16 HA LYS 16 4.635 -2.298 1.200 105 1HB LYS 16 HB2 LYS 16 6.874 -1.640 0.661 106 2HB LYS 16 HB1 LYS 16 6.464 -1.430 -1.035 107 1HG LYS 16 HG2 LYS 16 5.026 0.456 -0.457 108 2HG LYS 16 HG1 LYS 16 5.425 0.238 1.248 109 1HD LYS 16 HD2 LYS 16 7.032 1.755 0.831 110 2HD LYS 16 HD1 LYS 16 7.901 0.384 0.140 111 1HE LYS 16 HE2 LYS 16 6.010 1.739 -1.666 112 2HE LYS 16 HE1 LYS 16 7.411 2.692 -1.178 113 1HZ LYS 16 HZ1 LYS 16 8.344 1.638 -2.916 114 2HZ LYS 16 HZ2 LYS 16 7.271 0.332 -2.866 115 3HZ LYS 16 HZ3 LYS 16 8.581 0.390 -1.798 116 HA PRO 17 HA PRO 17 1.100 -1.253 -1.283 117 1HB PRO 17 HB2 PRO 17 -0.065 0.493 0.392 118 2HB PRO 17 HB1 PRO 17 -0.017 -1.240 0.736 119 1HG PRO 17 HG2 PRO 17 1.702 0.956 1.820 120 2HG PRO 17 HG1 PRO 17 0.984 -0.427 2.667 121 1HD PRO 17 HD2 PRO 17 3.594 -0.336 1.827 122 2HD PRO 17 HD1 PRO 17 2.675 -1.839 2.043 123 H THR 18 HN THR 18 0.479 0.321 -2.706 124 HA THR 18 HA THR 18 1.779 2.937 -2.528 125 HB THR 18 HB THR 18 2.828 1.161 -4.173 126 HG1 THR 18 HG1 THR 18 2.350 3.881 -4.803 127 1HG2 THR 18 1HG2 THR 18 0.725 2.443 -5.883 128 2HG2 THR 18 2HG2 THR 18 0.767 0.744 -5.419 129 3HG2 THR 18 3HG2 THR 18 2.044 1.413 -6.436 130 H CYS 19 HN CYS 19 0.445 4.605 -2.866 131 HA CYS 19 HA CYS 19 -2.316 4.037 -3.491 132 1HB CYS 19 HB2 CYS 19 -2.783 6.232 -2.725 133 2HB CYS 19 HB1 CYS 19 -1.532 5.600 -1.662 134 H ASP 20 HN ASP 20 -3.222 4.234 -5.419 135 HA ASP 20 HA ASP 20 -1.990 5.972 -7.412 136 1HB ASP 20 HB2 ASP 20 -1.635 3.377 -7.618 137 2HB ASP 20 HB1 ASP 20 -3.281 3.412 -8.236 138 H ASP 21 HN ASP 21 -3.466 7.588 -7.499 139 HA ASP 21 HA ASP 21 -5.456 8.677 -7.734 140 1HB ASP 21 HB2 ASP 21 -6.043 6.231 -9.418 141 2HB ASP 21 HB1 ASP 21 -7.002 7.708 -9.428 142 H GLY 22 HN GLY 22 -5.399 7.604 -5.327 143 1HA GLY 22 HA2 GLY 22 -6.755 7.087 -3.571 144 2HA GLY 22 HA1 GLY 22 -8.100 7.213 -4.684 145 H VAL 23 HN VAL 23 -5.715 5.012 -5.694 146 HA VAL 23 HA VAL 23 -7.306 2.761 -4.650 147 HB VAL 23 HB VAL 23 -5.793 2.842 -7.261 148 1HG1 VAL 23 1HG1 VAL 23 -6.286 0.668 -7.545 149 2HG1 VAL 23 2HG1 VAL 23 -7.891 0.837 -6.835 150 3HG1 VAL 23 3HG1 VAL 23 -6.481 0.657 -5.792 151 1HG2 VAL 23 1HG2 VAL 23 -8.181 2.728 -8.201 152 2HG2 VAL 23 2HG2 VAL 23 -7.591 4.284 -7.619 153 3HG2 VAL 23 3HG2 VAL 23 -8.682 3.325 -6.619 154 H CYS 24 HN CYS 24 -6.054 2.206 -2.907 155 HA CYS 24 HA CYS 24 -3.211 2.118 -2.974 156 1HB CYS 24 HB2 CYS 24 -4.742 2.346 -0.923 157 2HB CYS 24 HB1 CYS 24 -4.934 0.599 -1.024 158 H ASN 25 HN ASN 25 -1.829 0.455 -3.349 159 HA ASN 25 HA ASN 25 -2.727 -2.264 -3.568 160 1HB ASN 25 HB2 ASN 25 -1.957 -2.490 -5.961 161 2HB ASN 25 HB1 ASN 25 -3.454 -1.590 -5.742 162 1HD2 ASN 25 1HD2 ASN 25 -0.973 -1.634 -7.646 163 2HD2 ASN 25 2HD2 ASN 25 -0.672 0.049 -7.894 164 H CYS 26 HN CYS 26 -1.134 -3.465 -2.796 165 HA CYS 26 HA CYS 26 1.580 -2.382 -2.761 166 1HB CYS 26 HB2 CYS 26 2.020 -4.260 -1.156 167 2HB CYS 26 HB1 CYS 26 0.794 -3.117 -0.616 168 H ASN 27 HN ASN 27 3.388 -3.583 -3.442 169 HA ASN 27 HA ASN 27 2.790 -5.831 -5.240 170 1HB ASN 27 HB2 ASN 27 4.545 -3.439 -5.745 171 2HB ASN 27 HB1 ASN 27 4.710 -4.932 -6.666 172 1HD2 ASN 27 1HD2 ASN 27 2.940 -2.051 -6.221 173 2HD2 ASN 27 2HD2 ASN 27 1.777 -2.299 -7.475 174 H VAL 28 HN VAL 28 5.864 -4.306 -4.520 175 HA VAL 28 HA VAL 28 6.703 -6.748 -3.106 176 HB VAL 28 HB VAL 28 8.501 -5.140 -4.919 177 1HG1 VAL 28 1HG1 VAL 28 9.988 -6.262 -3.638 178 2HG1 VAL 28 2HG1 VAL 28 9.613 -7.576 -4.753 179 3HG1 VAL 28 3HG1 VAL 28 8.823 -7.503 -3.178 180 1HG2 VAL 28 1HG2 VAL 28 6.577 -6.285 -6.103 181 2HG2 VAL 28 2HG2 VAL 28 7.286 -7.812 -5.577 182 3HG2 VAL 28 3HG2 VAL 28 8.197 -6.735 -6.636 Start of MODEL 9 1 1H VAL 1 HT1 VAL 1 -10.205 2.599 0.325 2 2H VAL 1 HT2 VAL 1 -10.406 2.712 2.026 3 3H VAL 1 HT3 VAL 1 -10.146 1.184 1.289 4 HA VAL 1 HA VAL 1 -8.240 2.330 2.465 5 HB VAL 1 HB VAL 1 -6.640 1.467 0.774 6 1HG1 VAL 1 1HG1 VAL 1 -8.904 -0.482 1.024 7 2HG1 VAL 1 2HG1 VAL 1 -7.985 0.042 2.436 8 3HG1 VAL 1 3HG1 VAL 1 -7.168 -0.780 1.106 9 1HG2 VAL 1 1HG2 VAL 1 -9.107 1.459 -0.898 10 2HG2 VAL 1 2HG2 VAL 1 -7.894 0.206 -1.160 11 3HG2 VAL 1 3HG2 VAL 1 -7.455 1.906 -1.326 12 H GLY 2 HN GLY 2 -6.794 3.981 2.425 13 1HA GLY 2 HA2 GLY 2 -7.121 5.956 0.250 14 2HA GLY 2 HA1 GLY 2 -6.822 6.397 1.924 15 H CYS 3 HN CYS 3 -5.058 7.647 0.894 16 HA CYS 3 HA CYS 3 -2.741 6.000 0.171 17 1HB CYS 3 HB2 CYS 3 -3.606 8.769 -0.457 18 2HB CYS 3 HB1 CYS 3 -1.875 8.502 -0.288 19 H GLU 4 HN GLU 4 -3.954 8.169 2.599 20 HA GLU 4 HA GLU 4 -1.378 8.521 3.858 21 1HB GLU 4 HB2 GLU 4 -3.556 10.083 3.802 22 2HB GLU 4 HB1 GLU 4 -3.867 9.218 5.299 23 1HG GLU 4 HG2 GLU 4 -2.404 10.460 6.400 24 2HG GLU 4 HG1 GLU 4 -1.142 10.119 5.217 25 H GLU 5 HN GLU 5 -3.333 5.995 3.686 26 HA GLU 5 HA GLU 5 -2.465 4.956 6.273 27 1HB GLU 5 HB2 GLU 5 -5.282 5.033 5.242 28 2HB GLU 5 HB1 GLU 5 -4.771 3.758 6.338 29 1HG GLU 5 HG2 GLU 5 -4.556 5.172 8.112 30 2HG GLU 5 HG1 GLU 5 -4.197 6.569 7.098 31 H CYS 6 HN CYS 6 -1.516 4.583 3.554 32 HA CYS 6 HA CYS 6 -2.409 2.138 2.497 33 1HB CYS 6 HB2 CYS 6 -0.154 3.964 2.017 34 2HB CYS 6 HB1 CYS 6 0.123 2.288 1.554 35 HA PRO 7 HA PRO 7 1.719 0.456 4.741 36 1HB PRO 7 HB2 PRO 7 1.240 2.190 7.126 37 2HB PRO 7 HB1 PRO 7 2.764 1.602 6.450 38 1HG PRO 7 HG2 PRO 7 1.958 4.121 6.057 39 2HG PRO 7 HG1 PRO 7 2.808 3.214 4.794 40 1HD PRO 7 HD2 PRO 7 -0.065 3.951 4.977 41 2HD PRO 7 HD1 PRO 7 0.941 3.682 3.547 42 H MET 8 HN MET 8 -0.923 1.668 6.819 43 HA MET 8 HA MET 8 -1.099 -0.669 8.392 44 1HB MET 8 HB2 MET 8 -1.998 1.683 8.898 45 2HB MET 8 HB1 MET 8 -3.384 1.232 7.915 46 1HG MET 8 HG2 MET 8 -3.482 -0.836 9.488 47 2HG MET 8 HG1 MET 8 -2.515 0.174 10.562 48 1HE MET 8 HE1 MET 8 -6.614 0.008 9.270 49 2HE MET 8 HE2 MET 8 -5.280 0.216 8.136 50 3HE MET 8 HE3 MET 8 -6.272 1.600 8.593 51 H HIS 9 HN HIS 9 -2.510 0.243 5.339 52 HA HIS 9 HA HIS 9 -4.508 -1.813 5.329 53 1HB HIS 9 HB2 HIS 9 -3.440 0.098 3.271 54 2HB HIS 9 HB1 HIS 9 -4.525 -1.208 2.803 55 HD1 HIS 9 HD1 HIS 9 -6.516 -1.106 5.137 56 HD2 HIS 9 HD2 HIS 9 -5.095 2.252 3.144 57 HE1 HIS 9 HE1 HIS 9 -8.243 0.682 5.516 58 HE2 HIS 9 HE2 HIS 9 -7.321 2.729 4.373 59 H CYS 10 HN CYS 10 -1.193 -1.524 4.265 60 HA CYS 10 HA CYS 10 -1.171 -4.388 3.689 61 1HB CYS 10 HB2 CYS 10 -0.479 -2.211 1.751 62 2HB CYS 10 HB1 CYS 10 0.380 -3.745 1.673 63 H LYS 11 HN LYS 11 0.545 -5.364 4.558 64 HA LYS 11 HA LYS 11 2.358 -4.044 6.210 65 1HB LYS 11 HB2 LYS 11 2.549 -6.757 4.895 66 2HB LYS 11 HB1 LYS 11 3.653 -6.193 6.141 67 1HG LYS 11 HG2 LYS 11 0.814 -5.980 6.838 68 2HG LYS 11 HG1 LYS 11 1.400 -7.627 6.598 69 1HD LYS 11 HD2 LYS 11 1.690 -7.105 8.903 70 2HD LYS 11 HD1 LYS 11 3.290 -7.078 8.158 71 1HE LYS 11 HE2 LYS 11 1.867 -4.506 8.154 72 2HE LYS 11 HE1 LYS 11 2.295 -5.117 9.752 73 1HZ LYS 11 HZ1 LYS 11 3.944 -3.690 8.237 74 2HZ LYS 11 HZ2 LYS 11 4.387 -5.244 7.741 75 3HZ LYS 11 HZ3 LYS 11 4.480 -4.821 9.376 76 H GLY 12 HN GLY 12 4.731 -3.949 5.999 77 1HA GLY 12 HA2 GLY 12 5.543 -3.436 3.205 78 2HA GLY 12 HA1 GLY 12 6.003 -2.372 4.525 79 H LYS 13 HN LYS 13 6.011 -5.908 4.212 80 HA LYS 13 HA LYS 13 8.886 -5.856 4.702 81 1HB LYS 13 HB2 LYS 13 6.752 -7.423 6.039 82 2HB LYS 13 HB1 LYS 13 8.285 -8.234 5.755 83 1HG LYS 13 HG2 LYS 13 9.077 -5.839 6.819 84 2HG LYS 13 HG1 LYS 13 7.582 -6.175 7.694 85 1HD LYS 13 HD2 LYS 13 9.913 -8.072 7.415 86 2HD LYS 13 HD1 LYS 13 9.556 -7.094 8.840 87 1HE LYS 13 HE2 LYS 13 7.878 -8.446 9.507 88 2HE LYS 13 HE1 LYS 13 7.333 -8.753 7.859 89 1HZ LYS 13 HZ1 LYS 13 8.539 -10.575 9.365 90 2HZ LYS 13 HZ2 LYS 13 9.891 -9.918 8.590 91 3HZ LYS 13 HZ3 LYS 13 8.626 -10.569 7.675 92 H ASN 14 HN ASN 14 6.253 -7.211 2.949 93 HA ASN 14 HA ASN 14 8.129 -8.484 1.156 94 1HB ASN 14 HB2 ASN 14 6.725 -10.035 2.926 95 2HB ASN 14 HB1 ASN 14 5.651 -10.028 1.531 96 1HD2 ASN 14 1HD2 ASN 14 6.257 -12.369 1.730 97 2HD2 ASN 14 2HD2 ASN 14 7.637 -12.898 0.835 98 H ALA 15 HN ALA 15 6.607 -6.049 1.198 99 HA ALA 15 HA ALA 15 5.656 -6.030 -1.432 100 1HB ALA 15 HB1 ALA 15 3.810 -7.278 0.013 101 2HB ALA 15 HB2 ALA 15 3.392 -6.217 -1.332 102 3HB ALA 15 HB3 ALA 15 3.307 -5.617 0.324 103 H LYS 16 HN LYS 16 5.773 -3.990 -2.141 104 HA LYS 16 HA LYS 16 6.007 -1.868 -0.148 105 1HB LYS 16 HB2 LYS 16 7.840 -1.941 -1.671 106 2HB LYS 16 HB1 LYS 16 6.767 -2.016 -3.061 107 1HG LYS 16 HG2 LYS 16 6.001 0.274 -2.548 108 2HG LYS 16 HG1 LYS 16 7.166 0.337 -1.224 109 1HD LYS 16 HD2 LYS 16 8.955 0.516 -2.625 110 2HD LYS 16 HD1 LYS 16 8.185 -0.425 -3.904 111 1HE LYS 16 HE2 LYS 16 6.602 1.602 -4.127 112 2HE LYS 16 HE1 LYS 16 7.840 2.473 -3.223 113 1HZ LYS 16 HZ1 LYS 16 8.565 0.921 -5.622 114 2HZ LYS 16 HZ2 LYS 16 9.367 2.234 -4.921 115 3HZ LYS 16 HZ3 LYS 16 7.929 2.481 -5.777 116 HA PRO 17 HA PRO 17 1.916 -0.452 -1.176 117 1HB PRO 17 HB2 PRO 17 1.971 1.889 0.170 118 2HB PRO 17 HB1 PRO 17 1.838 0.329 0.988 119 1HG PRO 17 HG2 PRO 17 4.250 2.055 0.583 120 2HG PRO 17 HG1 PRO 17 3.735 1.177 2.035 121 1HD PRO 17 HD2 PRO 17 5.656 0.250 0.345 122 2HD PRO 17 HD1 PRO 17 4.594 -0.820 1.282 123 H THR 18 HN THR 18 0.980 0.848 -2.685 124 HA THR 18 HA THR 18 2.552 3.027 -3.835 125 HB THR 18 HB THR 18 2.902 0.966 -5.193 126 HG1 THR 18 HG1 THR 18 2.717 2.061 -7.070 127 1HG2 THR 18 1HG2 THR 18 0.094 0.779 -4.968 128 2HG2 THR 18 2HG2 THR 18 1.219 -0.330 -5.750 129 3HG2 THR 18 3HG2 THR 18 0.506 0.997 -6.667 130 H CYS 19 HN CYS 19 1.319 4.595 -4.998 131 HA CYS 19 HA CYS 19 -1.548 4.542 -4.319 132 1HB CYS 19 HB2 CYS 19 0.496 6.694 -4.089 133 2HB CYS 19 HB1 CYS 19 -1.146 7.160 -4.517 134 H ASP 20 HN ASP 20 -2.822 4.430 -6.036 135 HA ASP 20 HA ASP 20 -1.980 5.725 -8.514 136 1HB ASP 20 HB2 ASP 20 -1.913 3.106 -8.365 137 2HB ASP 20 HB1 ASP 20 -3.654 3.253 -8.576 138 H ASP 21 HN ASP 21 -3.274 7.482 -8.553 139 HA ASP 21 HA ASP 21 -5.149 8.779 -8.520 140 1HB ASP 21 HB2 ASP 21 -5.977 6.239 -9.841 141 2HB ASP 21 HB1 ASP 21 -7.244 7.384 -9.411 142 H GLY 22 HN GLY 22 -4.593 8.038 -6.042 143 1HA GLY 22 HA2 GLY 22 -5.503 7.945 -3.956 144 2HA GLY 22 HA1 GLY 22 -7.060 8.160 -4.726 145 H VAL 23 HN VAL 23 -5.253 5.490 -5.855 146 HA VAL 23 HA VAL 23 -6.877 3.675 -4.196 147 HB VAL 23 HB VAL 23 -5.889 3.160 -7.001 148 1HG1 VAL 23 1HG1 VAL 23 -6.712 1.075 -6.843 149 2HG1 VAL 23 2HG1 VAL 23 -8.115 1.592 -5.907 150 3HG1 VAL 23 3HG1 VAL 23 -6.566 1.333 -5.104 151 1HG2 VAL 23 1HG2 VAL 23 -8.625 3.974 -6.028 152 2HG2 VAL 23 2HG2 VAL 23 -8.264 3.407 -7.659 153 3HG2 VAL 23 3HG2 VAL 23 -7.549 4.907 -7.068 154 H CYS 24 HN CYS 24 -5.503 2.973 -2.653 155 HA CYS 24 HA CYS 24 -2.736 2.681 -2.892 156 1HB CYS 24 HB2 CYS 24 -4.201 2.696 -0.773 157 2HB CYS 24 HB1 CYS 24 -4.413 0.973 -1.063 158 H ASN 25 HN ASN 25 -1.439 0.739 -2.958 159 HA ASN 25 HA ASN 25 -2.602 -1.720 -3.853 160 1HB ASN 25 HB2 ASN 25 -1.774 0.208 -5.799 161 2HB ASN 25 HB1 ASN 25 -0.738 -1.210 -5.902 162 1HD2 ASN 25 1HD2 ASN 25 -1.607 -3.169 -6.517 163 2HD2 ASN 25 2HD2 ASN 25 -3.180 -3.310 -7.218 164 H CYS 26 HN CYS 26 -1.423 -3.297 -3.045 165 HA CYS 26 HA CYS 26 1.455 -2.845 -2.607 166 1HB CYS 26 HB2 CYS 26 1.318 -4.143 -0.550 167 2HB CYS 26 HB1 CYS 26 0.201 -2.785 -0.478 168 H ASN 27 HN ASN 27 2.744 -4.278 -3.568 169 HA ASN 27 HA ASN 27 1.645 -6.915 -4.258 170 1HB ASN 27 HB2 ASN 27 3.185 -5.004 -5.984 171 2HB ASN 27 HB1 ASN 27 3.203 -6.734 -6.313 172 1HD2 ASN 27 1HD2 ASN 27 1.291 -3.841 -6.267 173 2HD2 ASN 27 2HD2 ASN 27 -0.051 -4.469 -7.156 174 H VAL 28 HN VAL 28 4.834 -5.602 -4.886 175 HA VAL 28 HA VAL 28 5.973 -7.381 -2.847 176 HB VAL 28 HB VAL 28 7.141 -7.141 -5.619 177 1HG1 VAL 28 1HG1 VAL 28 8.896 -8.213 -4.785 178 2HG1 VAL 28 2HG1 VAL 28 7.863 -9.503 -4.170 179 3HG1 VAL 28 3HG1 VAL 28 8.183 -8.080 -3.178 180 1HG2 VAL 28 1HG2 VAL 28 4.976 -8.250 -5.767 181 2HG2 VAL 28 2HG2 VAL 28 5.447 -9.367 -4.485 182 3HG2 VAL 28 3HG2 VAL 28 6.287 -9.399 -6.036 Start of MODEL 10 1 1H VAL 1 HT1 VAL 1 -10.872 5.452 2.301 2 2H VAL 1 HT2 VAL 1 -10.084 6.422 3.478 3 3H VAL 1 HT3 VAL 1 -10.701 4.879 3.907 4 HA VAL 1 HA VAL 1 -8.359 4.791 3.680 5 HB VAL 1 HB VAL 1 -8.211 3.036 1.909 6 1HG1 VAL 1 1HG1 VAL 1 -10.683 2.635 3.566 7 2HG1 VAL 1 2HG1 VAL 1 -9.074 2.692 4.284 8 3HG1 VAL 1 3HG1 VAL 1 -9.465 1.449 3.097 9 1HG2 VAL 1 1HG2 VAL 1 -10.176 4.354 0.644 10 2HG2 VAL 1 2HG2 VAL 1 -11.132 3.125 1.473 11 3HG2 VAL 1 3HG2 VAL 1 -9.834 2.644 0.380 12 H GLY 2 HN GLY 2 -6.492 5.329 2.631 13 1HA GLY 2 HA2 GLY 2 -6.662 6.530 -0.032 14 2HA GLY 2 HA1 GLY 2 -6.055 7.540 1.271 15 H CYS 3 HN CYS 3 -4.042 7.747 0.231 16 HA CYS 3 HA CYS 3 -2.463 5.354 -0.228 17 1HB CYS 3 HB2 CYS 3 -2.234 8.228 -0.918 18 2HB CYS 3 HB1 CYS 3 -0.720 7.359 -0.687 19 H GLU 4 HN GLU 4 -2.865 7.789 2.193 20 HA GLU 4 HA GLU 4 -0.335 7.227 3.476 21 1HB GLU 4 HB2 GLU 4 -2.656 8.999 4.194 22 2HB GLU 4 HB1 GLU 4 -1.258 8.796 5.241 23 1HG GLU 4 HG2 GLU 4 0.196 9.695 3.528 24 2HG GLU 4 HG1 GLU 4 -1.164 9.825 2.413 25 H GLU 5 HN GLU 5 -3.042 5.537 3.275 26 HA GLU 5 HA GLU 5 -2.871 4.533 6.029 27 1HB GLU 5 HB2 GLU 5 -5.235 4.604 4.161 28 2HB GLU 5 HB1 GLU 5 -5.217 3.704 5.670 29 1HG GLU 5 HG2 GLU 5 -4.425 6.494 5.967 30 2HG GLU 5 HG1 GLU 5 -6.065 6.281 5.355 31 H CYS 6 HN CYS 6 -1.324 3.767 3.598 32 HA CYS 6 HA CYS 6 -2.270 1.178 2.848 33 1HB CYS 6 HB2 CYS 6 -0.320 3.004 1.896 34 2HB CYS 6 HB1 CYS 6 0.487 1.471 2.208 35 HA PRO 7 HA PRO 7 1.770 -0.006 5.523 36 1HB PRO 7 HB2 PRO 7 1.223 2.169 7.496 37 2HB PRO 7 HB1 PRO 7 2.765 1.461 7.002 38 1HG PRO 7 HG2 PRO 7 1.985 3.847 6.085 39 2HG PRO 7 HG1 PRO 7 2.866 2.705 5.055 40 1HD PRO 7 HD2 PRO 7 -0.009 3.459 5.007 41 2HD PRO 7 HD1 PRO 7 1.036 2.917 3.685 42 H MET 8 HN MET 8 -1.036 1.533 7.098 43 HA MET 8 HA MET 8 -1.242 -0.389 9.170 44 1HB MET 8 HB2 MET 8 -2.315 2.053 8.781 45 2HB MET 8 HB1 MET 8 -3.689 1.053 8.326 46 1HG MET 8 HG2 MET 8 -2.337 0.317 10.835 47 2HG MET 8 HG1 MET 8 -3.184 1.862 10.834 48 1HE MET 8 HE1 MET 8 -6.832 1.062 10.582 49 2HE MET 8 HE2 MET 8 -5.585 2.135 9.945 50 3HE MET 8 HE3 MET 8 -5.724 1.879 11.684 51 H HIS 9 HN HIS 9 -2.647 -0.126 5.962 52 HA HIS 9 HA HIS 9 -4.438 -2.349 6.350 53 1HB HIS 9 HB2 HIS 9 -3.806 -0.458 4.152 54 2HB HIS 9 HB1 HIS 9 -4.430 -2.034 3.678 55 HD1 HIS 9 HD1 HIS 9 -6.478 -2.418 5.981 56 HD2 HIS 9 HD2 HIS 9 -6.041 1.062 3.753 57 HE1 HIS 9 HE1 HIS 9 -8.681 -1.220 6.167 58 HE2 HIS 9 HE2 HIS 9 -8.363 0.924 4.883 59 H CYS 10 HN CYS 10 -2.018 -1.935 3.779 60 HA CYS 10 HA CYS 10 -1.587 -4.777 3.661 61 1HB CYS 10 HB2 CYS 10 -0.561 -2.410 2.133 62 2HB CYS 10 HB1 CYS 10 0.236 -3.971 1.967 63 H LYS 11 HN LYS 11 0.743 -5.585 3.529 64 HA LYS 11 HA LYS 11 2.049 -4.859 6.011 65 1HB LYS 11 HB2 LYS 11 2.646 -7.012 3.976 66 2HB LYS 11 HB1 LYS 11 3.540 -6.791 5.474 67 1HG LYS 11 HG2 LYS 11 2.098 -8.311 6.267 68 2HG LYS 11 HG1 LYS 11 1.018 -6.925 6.426 69 1HD LYS 11 HD2 LYS 11 0.401 -7.511 3.947 70 2HD LYS 11 HD1 LYS 11 1.033 -9.100 4.382 71 1HE LYS 11 HE2 LYS 11 -0.705 -9.563 5.746 72 2HE LYS 11 HE1 LYS 11 -0.831 -7.901 6.319 73 1HZ LYS 11 HZ1 LYS 11 -2.612 -9.033 4.710 74 2HZ LYS 11 HZ2 LYS 11 -1.586 -8.354 3.550 75 3HZ LYS 11 HZ3 LYS 11 -2.305 -7.369 4.721 76 H GLY 12 HN GLY 12 4.438 -4.610 6.075 77 1HA GLY 12 HA2 GLY 12 5.472 -3.269 3.659 78 2HA GLY 12 HA1 GLY 12 5.606 -2.508 5.237 79 H LYS 13 HN LYS 13 6.305 -5.694 3.797 80 HA LYS 13 HA LYS 13 9.065 -5.466 4.541 81 1HB LYS 13 HB2 LYS 13 8.062 -6.262 6.631 82 2HB LYS 13 HB1 LYS 13 7.349 -7.621 5.773 83 1HG LYS 13 HG2 LYS 13 9.598 -8.446 5.238 84 2HG LYS 13 HG1 LYS 13 10.292 -7.101 6.146 85 1HD LYS 13 HD2 LYS 13 8.564 -8.138 7.970 86 2HD LYS 13 HD1 LYS 13 9.057 -9.592 7.099 87 1HE LYS 13 HE2 LYS 13 11.182 -9.491 7.864 88 2HE LYS 13 HE1 LYS 13 11.222 -7.728 7.830 89 1HZ LYS 13 HZ1 LYS 13 9.493 -8.138 9.803 90 2HZ LYS 13 HZ2 LYS 13 11.160 -7.990 10.050 91 3HZ LYS 13 HZ3 LYS 13 10.450 -9.523 9.978 92 H ASN 14 HN ASN 14 6.495 -7.113 2.927 93 HA ASN 14 HA ASN 14 8.426 -8.272 1.113 94 1HB ASN 14 HB2 ASN 14 6.469 -9.764 2.763 95 2HB ASN 14 HB1 ASN 14 6.568 -10.237 1.069 96 1HD2 ASN 14 1HD2 ASN 14 7.276 -12.263 2.139 97 2HD2 ASN 14 2HD2 ASN 14 8.962 -12.450 2.467 98 H ALA 15 HN ALA 15 6.728 -5.960 1.120 99 HA ALA 15 HA ALA 15 5.704 -6.118 -1.483 100 1HB ALA 15 HB1 ALA 15 3.241 -5.608 -0.518 101 2HB ALA 15 HB2 ALA 15 3.817 -6.769 0.677 102 3HB ALA 15 HB3 ALA 15 3.783 -7.206 -1.031 103 H LYS 16 HN LYS 16 5.713 -4.110 -2.286 104 HA LYS 16 HA LYS 16 5.779 -1.885 -0.380 105 1HB LYS 16 HB2 LYS 16 7.718 -1.952 -1.772 106 2HB LYS 16 HB1 LYS 16 6.746 -2.129 -3.225 107 1HG LYS 16 HG2 LYS 16 5.956 0.122 -3.049 108 2HG LYS 16 HG1 LYS 16 6.712 0.312 -1.466 109 1HD LYS 16 HD2 LYS 16 8.835 -0.446 -2.995 110 2HD LYS 16 HD1 LYS 16 7.882 0.485 -4.153 111 1HE LYS 16 HE2 LYS 16 9.260 2.086 -3.176 112 2HE LYS 16 HE1 LYS 16 7.744 2.257 -2.294 113 1HZ LYS 16 HZ1 LYS 16 9.268 2.211 -0.602 114 2HZ LYS 16 HZ2 LYS 16 10.299 1.126 -1.389 115 3HZ LYS 16 HZ3 LYS 16 8.863 0.570 -0.689 116 HA PRO 17 HA PRO 17 1.713 -0.720 -1.750 117 1HB PRO 17 HB2 PRO 17 1.592 1.714 -0.578 118 2HB PRO 17 HB1 PRO 17 1.454 0.208 0.335 119 1HG PRO 17 HG2 PRO 17 3.825 2.000 -0.018 120 2HG PRO 17 HG1 PRO 17 3.243 1.190 1.448 121 1HD PRO 17 HD2 PRO 17 5.311 0.245 -0.045 122 2HD PRO 17 HD1 PRO 17 4.228 -0.810 0.885 123 H THR 18 HN THR 18 0.848 0.365 -3.435 124 HA THR 18 HA THR 18 2.514 2.386 -4.770 125 HB THR 18 HB THR 18 0.845 1.290 -6.681 126 HG1 THR 18 HG1 THR 18 0.962 -0.848 -6.488 127 1HG2 THR 18 1HG2 THR 18 2.818 0.497 -7.750 128 2HG2 THR 18 2HG2 THR 18 3.714 0.558 -6.232 129 3HG2 THR 18 3HG2 THR 18 3.170 2.052 -6.996 130 H CYS 19 HN CYS 19 1.426 4.080 -5.854 131 HA CYS 19 HA CYS 19 -1.314 4.504 -4.871 132 1HB CYS 19 HB2 CYS 19 0.952 6.409 -5.387 133 2HB CYS 19 HB1 CYS 19 -0.713 6.979 -5.353 134 H ASP 20 HN ASP 20 -2.837 4.344 -6.368 135 HA ASP 20 HA ASP 20 -2.251 5.226 -9.087 136 1HB ASP 20 HB2 ASP 20 -2.401 2.652 -8.602 137 2HB ASP 20 HB1 ASP 20 -4.133 2.962 -8.598 138 H ASP 21 HN ASP 21 -3.367 7.104 -9.161 139 HA ASP 21 HA ASP 21 -5.094 8.586 -9.064 140 1HB ASP 21 HB2 ASP 21 -6.329 6.013 -9.915 141 2HB ASP 21 HB1 ASP 21 -7.415 7.326 -9.470 142 H GLY 22 HN GLY 22 -4.259 8.102 -6.602 143 1HA GLY 22 HA2 GLY 22 -4.871 8.374 -4.424 144 2HA GLY 22 HA1 GLY 22 -6.498 8.643 -5.009 145 H VAL 23 HN VAL 23 -5.185 5.687 -6.035 146 HA VAL 23 HA VAL 23 -6.681 4.271 -3.929 147 HB VAL 23 HB VAL 23 -6.100 3.280 -6.721 148 1HG1 VAL 23 1HG1 VAL 23 -6.519 1.334 -5.653 149 2HG1 VAL 23 2HG1 VAL 23 -8.197 1.837 -5.858 150 3HG1 VAL 23 3HG1 VAL 23 -7.373 2.121 -4.325 151 1HG2 VAL 23 1HG2 VAL 23 -7.638 4.858 -7.258 152 2HG2 VAL 23 2HG2 VAL 23 -8.313 4.913 -5.629 153 3HG2 VAL 23 3HG2 VAL 23 -8.753 3.600 -6.722 154 H CYS 24 HN CYS 24 -5.186 3.652 -2.470 155 HA CYS 24 HA CYS 24 -2.531 2.873 -3.207 156 1HB CYS 24 HB2 CYS 24 -3.567 3.850 -0.930 157 2HB CYS 24 HB1 CYS 24 -3.598 2.134 -0.536 158 H ASN 25 HN ASN 25 -1.633 0.851 -3.302 159 HA ASN 25 HA ASN 25 -3.095 -1.498 -2.562 160 1HB ASN 25 HB2 ASN 25 -3.342 -0.508 -5.232 161 2HB ASN 25 HB1 ASN 25 -2.479 -2.041 -5.260 162 1HD2 ASN 25 1HD2 ASN 25 -5.238 -1.190 -6.078 163 2HD2 ASN 25 2HD2 ASN 25 -6.286 -2.325 -5.304 164 H CYS 26 HN CYS 26 -1.667 -2.916 -1.854 165 HA CYS 26 HA CYS 26 1.148 -2.524 -2.364 166 1HB CYS 26 HB2 CYS 26 1.427 -4.425 -0.764 167 2HB CYS 26 HB1 CYS 26 0.506 -3.075 -0.110 168 H ASN 27 HN ASN 27 2.539 -3.941 -3.394 169 HA ASN 27 HA ASN 27 1.274 -6.116 -4.917 170 1HB ASN 27 HB2 ASN 27 3.274 -4.070 -5.853 171 2HB ASN 27 HB1 ASN 27 3.009 -5.585 -6.711 172 1HD2 ASN 27 1HD2 ASN 27 2.590 -3.421 -8.131 173 2HD2 ASN 27 2HD2 ASN 27 0.906 -3.103 -8.350 174 H VAL 28 HN VAL 28 4.630 -5.099 -4.799 175 HA VAL 28 HA VAL 28 5.397 -7.284 -3.074 176 HB VAL 28 HB VAL 28 5.213 -8.426 -5.237 177 1HG1 VAL 28 1HG1 VAL 28 7.300 -7.590 -6.782 178 2HG1 VAL 28 2HG1 VAL 28 6.677 -6.064 -6.154 179 3HG1 VAL 28 3HG1 VAL 28 5.611 -7.155 -7.038 180 1HG2 VAL 28 1HG2 VAL 28 6.968 -9.036 -3.559 181 2HG2 VAL 28 2HG2 VAL 28 8.112 -8.076 -4.497 182 3HG2 VAL 28 3HG2 VAL 28 7.349 -9.492 -5.220 Start of MODEL 11 1 1H VAL 1 HT1 VAL 1 -8.450 5.424 -1.332 2 2H VAL 1 HT2 VAL 1 -9.904 5.972 -0.602 3 3H VAL 1 HT3 VAL 1 -9.649 4.294 -0.858 4 HA VAL 1 HA VAL 1 -9.319 5.316 1.443 5 HB VAL 1 HB VAL 1 -7.488 3.682 1.883 6 1HG1 VAL 1 1HG1 VAL 1 -8.800 1.751 1.456 7 2HG1 VAL 1 2HG1 VAL 1 -9.606 2.518 0.088 8 3HG1 VAL 1 3HG1 VAL 1 -9.927 3.080 1.729 9 1HG2 VAL 1 1HG2 VAL 1 -7.317 3.798 -1.067 10 2HG2 VAL 1 2HG2 VAL 1 -7.144 2.207 -0.327 11 3HG2 VAL 1 3HG2 VAL 1 -6.057 3.516 0.134 12 H GLY 2 HN GLY 2 -7.577 6.022 2.840 13 1HA GLY 2 HA2 GLY 2 -6.188 8.257 1.769 14 2HA GLY 2 HA1 GLY 2 -6.017 7.617 3.396 15 H CYS 3 HN CYS 3 -4.379 8.248 0.631 16 HA CYS 3 HA CYS 3 -2.758 6.011 0.210 17 1HB CYS 3 HB2 CYS 3 -2.615 8.895 -0.422 18 2HB CYS 3 HB1 CYS 3 -1.072 8.048 -0.397 19 H GLU 4 HN GLU 4 -2.681 8.456 2.686 20 HA GLU 4 HA GLU 4 -0.051 7.646 3.611 21 1HB GLU 4 HB2 GLU 4 -1.113 10.049 3.605 22 2HB GLU 4 HB1 GLU 4 -1.816 9.512 5.124 23 1HG GLU 4 HG2 GLU 4 0.261 9.307 6.155 24 2HG GLU 4 HG1 GLU 4 1.125 9.288 4.619 25 H GLU 5 HN GLU 5 -2.942 6.311 3.862 26 HA GLU 5 HA GLU 5 -2.486 5.357 6.602 27 1HB GLU 5 HB2 GLU 5 -4.982 6.146 5.198 28 2HB GLU 5 HB1 GLU 5 -5.076 4.780 6.301 29 1HG GLU 5 HG2 GLU 5 -3.763 7.270 7.247 30 2HG GLU 5 HG1 GLU 5 -5.520 7.244 7.105 31 H CYS 6 HN CYS 6 -1.947 4.429 3.603 32 HA CYS 6 HA CYS 6 -3.202 1.858 3.585 33 1HB CYS 6 HB2 CYS 6 -1.004 2.884 1.802 34 2HB CYS 6 HB1 CYS 6 -2.014 1.474 1.506 35 HA PRO 7 HA PRO 7 1.602 0.759 4.378 36 1HB PRO 7 HB2 PRO 7 1.807 2.859 6.489 37 2HB PRO 7 HB1 PRO 7 3.051 2.233 5.401 38 1HG PRO 7 HG2 PRO 7 1.920 4.608 4.962 39 2HG PRO 7 HG1 PRO 7 2.333 3.527 3.619 40 1HD PRO 7 HD2 PRO 7 -0.334 4.151 4.794 41 2HD PRO 7 HD1 PRO 7 0.095 3.754 3.123 42 H MET 8 HN MET 8 -0.908 1.828 6.573 43 HA MET 8 HA MET 8 -0.108 0.048 8.696 44 1HB MET 8 HB2 MET 8 -1.451 2.331 8.779 45 2HB MET 8 HB1 MET 8 -2.832 1.259 8.589 46 1HG MET 8 HG2 MET 8 -0.795 0.694 10.692 47 2HG MET 8 HG1 MET 8 -2.018 1.935 10.958 48 1HE MET 8 HE1 MET 8 -4.310 1.504 9.995 49 2HE MET 8 HE2 MET 8 -5.173 0.592 11.233 50 3HE MET 8 HE3 MET 8 -4.972 -0.086 9.618 51 H HIS 9 HN HIS 9 -2.234 -0.047 5.951 52 HA HIS 9 HA HIS 9 -3.789 -2.277 6.855 53 1HB HIS 9 HB2 HIS 9 -3.449 -0.993 4.143 54 2HB HIS 9 HB1 HIS 9 -4.526 -2.353 4.437 55 HD1 HIS 9 HD1 HIS 9 -5.880 -1.513 7.019 56 HD2 HIS 9 HD2 HIS 9 -5.147 1.100 3.873 57 HE1 HIS 9 HE1 HIS 9 -7.539 0.355 7.297 58 HE2 HIS 9 HE2 HIS 9 -7.129 1.884 5.337 59 H CYS 10 HN CYS 10 -1.855 -2.174 3.879 60 HA CYS 10 HA CYS 10 -1.244 -4.986 4.168 61 1HB CYS 10 HB2 CYS 10 -1.731 -3.480 1.993 62 2HB CYS 10 HB1 CYS 10 0.027 -3.396 2.010 63 H LYS 11 HN LYS 11 0.431 -5.679 5.307 64 HA LYS 11 HA LYS 11 3.005 -4.355 5.051 65 1HB LYS 11 HB2 LYS 11 1.408 -4.420 7.554 66 2HB LYS 11 HB1 LYS 11 3.140 -4.683 7.682 67 1HG LYS 11 HG2 LYS 11 2.271 -2.375 6.061 68 2HG LYS 11 HG1 LYS 11 2.019 -2.268 7.804 69 1HD LYS 11 HD2 LYS 11 4.201 -1.976 8.197 70 2HD LYS 11 HD1 LYS 11 4.651 -3.302 7.124 71 1HE LYS 11 HE2 LYS 11 3.686 -0.871 5.779 72 2HE LYS 11 HE1 LYS 11 5.205 -0.690 6.655 73 1HZ LYS 11 HZ1 LYS 11 4.756 -2.910 4.753 74 2HZ LYS 11 HZ2 LYS 11 6.224 -2.329 5.359 75 3HZ LYS 11 HZ3 LYS 11 5.344 -1.407 4.246 76 H GLY 12 HN GLY 12 4.463 -5.874 4.664 77 1HA GLY 12 HA2 GLY 12 4.268 -8.432 6.088 78 2HA GLY 12 HA1 GLY 12 4.374 -8.443 4.334 79 H LYS 13 HN LYS 13 6.314 -7.834 3.328 80 HA LYS 13 HA LYS 13 8.584 -7.058 4.877 81 1HB LYS 13 HB2 LYS 13 8.082 -9.786 4.693 82 2HB LYS 13 HB1 LYS 13 9.310 -9.494 3.470 83 1HG LYS 13 HG2 LYS 13 10.555 -8.230 5.342 84 2HG LYS 13 HG1 LYS 13 9.466 -9.095 6.429 85 1HD LYS 13 HD2 LYS 13 10.525 -11.053 6.122 86 2HD LYS 13 HD1 LYS 13 10.721 -10.784 4.389 87 1HE LYS 13 HE2 LYS 13 12.867 -10.908 5.642 88 2HE LYS 13 HE1 LYS 13 12.640 -9.401 4.755 89 1HZ LYS 13 HZ1 LYS 13 11.895 -8.377 6.851 90 2HZ LYS 13 HZ2 LYS 13 13.492 -8.926 6.928 91 3HZ LYS 13 HZ3 LYS 13 12.257 -9.812 7.670 92 H ASN 14 HN ASN 14 7.369 -8.298 1.814 93 HA ASN 14 HA ASN 14 9.132 -6.425 0.447 94 1HB ASN 14 HB2 ASN 14 8.518 -9.285 -0.247 95 2HB ASN 14 HB1 ASN 14 9.009 -8.141 -1.492 96 1HD2 ASN 14 1HD2 ASN 14 9.985 -9.905 1.331 97 2HD2 ASN 14 2HD2 ASN 14 11.683 -9.633 1.164 98 H ALA 15 HN ALA 15 6.485 -6.066 1.418 99 HA ALA 15 HA ALA 15 5.083 -5.665 -1.133 100 1HB ALA 15 HB1 ALA 15 3.327 -5.956 1.180 101 2HB ALA 15 HB2 ALA 15 4.248 -7.411 0.798 102 3HB ALA 15 HB3 ALA 15 3.216 -6.674 -0.428 103 H LYS 16 HN LYS 16 5.302 -3.525 -1.463 104 HA LYS 16 HA LYS 16 4.739 -1.726 0.791 105 1HB LYS 16 HB2 LYS 16 6.915 -1.292 -0.016 106 2HB LYS 16 HB1 LYS 16 6.396 -1.351 -1.693 107 1HG LYS 16 HG2 LYS 16 6.718 0.909 -1.296 108 2HG LYS 16 HG1 LYS 16 4.976 0.715 -1.098 109 1HD LYS 16 HD2 LYS 16 5.333 1.837 0.826 110 2HD LYS 16 HD1 LYS 16 5.812 0.249 1.428 111 1HE LYS 16 HE2 LYS 16 8.142 0.746 0.941 112 2HE LYS 16 HE1 LYS 16 7.684 2.311 0.270 113 1HZ LYS 16 HZ1 LYS 16 8.174 2.987 2.347 114 2HZ LYS 16 HZ2 LYS 16 7.896 1.472 3.045 115 3HZ LYS 16 HZ3 LYS 16 6.592 2.486 2.680 116 HA PRO 17 HA PRO 17 0.914 -0.676 -1.202 117 1HB PRO 17 HB2 PRO 17 1.049 1.840 0.317 118 2HB PRO 17 HB1 PRO 17 -0.147 0.545 0.398 119 1HG PRO 17 HG2 PRO 17 1.628 0.968 2.375 120 2HG PRO 17 HG1 PRO 17 1.060 -0.657 1.949 121 1HD PRO 17 HD2 PRO 17 3.647 0.687 1.270 122 2HD PRO 17 HD1 PRO 17 3.337 -1.000 1.729 123 H THR 18 HN THR 18 0.531 0.253 -3.111 124 HA THR 18 HA THR 18 2.166 2.567 -3.899 125 HB THR 18 HB THR 18 1.114 1.431 -6.194 126 HG1 THR 18 HG1 THR 18 1.539 -0.702 -6.068 127 1HG2 THR 18 1HG2 THR 18 3.379 0.877 -6.769 128 2HG2 THR 18 2HG2 THR 18 3.869 1.045 -5.083 129 3HG2 THR 18 3HG2 THR 18 3.319 2.457 -5.986 130 H CYS 19 HN CYS 19 1.201 4.299 -4.907 131 HA CYS 19 HA CYS 19 -1.729 4.351 -4.721 132 1HB CYS 19 HB2 CYS 19 0.334 6.542 -4.548 133 2HB CYS 19 HB1 CYS 19 -1.383 6.876 -4.746 134 H ASP 20 HN ASP 20 -2.762 4.169 -6.589 135 HA ASP 20 HA ASP 20 -1.626 5.432 -8.962 136 1HB ASP 20 HB2 ASP 20 -1.518 2.818 -8.753 137 2HB ASP 20 HB1 ASP 20 -3.216 2.918 -9.198 138 H ASP 21 HN ASP 21 -2.945 7.144 -9.233 139 HA ASP 21 HA ASP 21 -4.835 8.392 -9.483 140 1HB ASP 21 HB2 ASP 21 -5.425 5.797 -10.820 141 2HB ASP 21 HB1 ASP 21 -6.766 6.914 -10.589 142 H GLY 22 HN GLY 22 -4.594 7.737 -6.929 143 1HA GLY 22 HA2 GLY 22 -5.784 7.717 -4.985 144 2HA GLY 22 HA1 GLY 22 -7.228 7.826 -5.968 145 H VAL 23 HN VAL 23 -5.233 5.190 -6.763 146 HA VAL 23 HA VAL 23 -7.014 3.381 -5.269 147 HB VAL 23 HB VAL 23 -5.487 2.753 -7.798 148 1HG1 VAL 23 1HG1 VAL 23 -7.169 0.842 -7.842 149 2HG1 VAL 23 2HG1 VAL 23 -7.499 1.241 -6.156 150 3HG1 VAL 23 3HG1 VAL 23 -5.879 0.742 -6.644 151 1HG2 VAL 23 1HG2 VAL 23 -8.313 3.675 -7.371 152 2HG2 VAL 23 2HG2 VAL 23 -7.832 2.765 -8.803 153 3HG2 VAL 23 3HG2 VAL 23 -7.093 4.330 -8.464 154 H CYS 24 HN CYS 24 -5.909 2.907 -3.444 155 HA CYS 24 HA CYS 24 -3.061 2.472 -3.464 156 1HB CYS 24 HB2 CYS 24 -4.975 3.147 -1.524 157 2HB CYS 24 HB1 CYS 24 -4.366 1.566 -1.047 158 H ASN 25 HN ASN 25 -1.994 0.578 -3.523 159 HA ASN 25 HA ASN 25 -3.255 -1.916 -2.896 160 1HB ASN 25 HB2 ASN 25 -3.257 -0.990 -5.612 161 2HB ASN 25 HB1 ASN 25 -2.286 -2.450 -5.477 162 1HD2 ASN 25 1HD2 ASN 25 -3.620 -3.784 -3.484 163 2HD2 ASN 25 2HD2 ASN 25 -5.197 -4.221 -4.039 164 H CYS 26 HN CYS 26 -1.763 -3.142 -1.979 165 HA CYS 26 HA CYS 26 1.022 -2.427 -2.149 166 1HB CYS 26 HB2 CYS 26 1.325 -4.335 -0.549 167 2HB CYS 26 HB1 CYS 26 0.198 -3.101 0.003 168 H ASN 27 HN ASN 27 2.564 -3.358 -3.350 169 HA ASN 27 HA ASN 27 1.874 -5.820 -4.806 170 1HB ASN 27 HB2 ASN 27 3.309 -3.358 -5.771 171 2HB ASN 27 HB1 ASN 27 3.437 -4.902 -6.609 172 1HD2 ASN 27 1HD2 ASN 27 2.221 -2.254 -7.313 173 2HD2 ASN 27 2HD2 ASN 27 0.616 -2.636 -7.823 174 H VAL 28 HN VAL 28 4.937 -4.143 -4.919 175 HA VAL 28 HA VAL 28 6.175 -6.428 -3.531 176 HB VAL 28 HB VAL 28 7.473 -4.697 -5.640 177 1HG1 VAL 28 1HG1 VAL 28 8.348 -7.103 -4.081 178 2HG1 VAL 28 2HG1 VAL 28 9.187 -5.572 -4.328 179 3HG1 VAL 28 3HG1 VAL 28 9.055 -6.728 -5.653 180 1HG2 VAL 28 1HG2 VAL 28 6.936 -7.514 -6.261 181 2HG2 VAL 28 2HG2 VAL 28 6.772 -6.076 -7.269 182 3HG2 VAL 28 3HG2 VAL 28 5.497 -6.504 -6.129 Start of MODEL 12 1 1H VAL 1 HT1 VAL 1 -11.057 2.980 2.717 2 2H VAL 1 HT2 VAL 1 -10.670 2.971 1.044 3 3H VAL 1 HT3 VAL 1 -11.020 4.452 1.839 4 HA VAL 1 HA VAL 1 -9.094 4.130 3.240 5 HB VAL 1 HB VAL 1 -7.401 2.477 2.494 6 1HG1 VAL 1 1HG1 VAL 1 -9.985 1.130 3.252 7 2HG1 VAL 1 2HG1 VAL 1 -9.005 2.068 4.380 8 3HG1 VAL 1 3HG1 VAL 1 -8.343 0.613 3.635 9 1HG2 VAL 1 1HG2 VAL 1 -7.700 1.017 0.791 10 2HG2 VAL 1 2HG2 VAL 1 -8.803 2.268 0.217 11 3HG2 VAL 1 3HG2 VAL 1 -9.433 0.866 1.080 12 H GLY 2 HN GLY 2 -6.890 4.759 2.459 13 1HA GLY 2 HA2 GLY 2 -6.807 5.633 -0.330 14 2HA GLY 2 HA1 GLY 2 -6.737 6.882 0.904 15 H CYS 3 HN CYS 3 -4.660 7.194 -0.398 16 HA CYS 3 HA CYS 3 -2.516 5.365 0.005 17 1HB CYS 3 HB2 CYS 3 -2.786 8.135 -1.074 18 2HB CYS 3 HB1 CYS 3 -1.182 7.566 -0.626 19 H GLU 4 HN GLU 4 -3.911 7.866 1.919 20 HA GLU 4 HA GLU 4 -1.565 8.245 3.561 21 1HB GLU 4 HB2 GLU 4 -4.383 9.279 3.734 22 2HB GLU 4 HB1 GLU 4 -3.164 9.638 4.948 23 1HG GLU 4 HG2 GLU 4 -1.767 10.482 2.938 24 2HG GLU 4 HG1 GLU 4 -3.321 10.537 2.106 25 H GLU 5 HN GLU 5 -3.602 5.791 3.312 26 HA GLU 5 HA GLU 5 -3.374 5.102 6.153 27 1HB GLU 5 HB2 GLU 5 -5.760 4.876 4.356 28 2HB GLU 5 HB1 GLU 5 -5.552 3.735 5.678 29 1HG GLU 5 HG2 GLU 5 -5.814 5.358 7.297 30 2HG GLU 5 HG1 GLU 5 -5.386 6.669 6.199 31 H CYS 6 HN CYS 6 -1.684 4.465 3.840 32 HA CYS 6 HA CYS 6 -2.168 1.738 3.160 33 1HB CYS 6 HB2 CYS 6 -0.625 3.770 2.095 34 2HB CYS 6 HB1 CYS 6 0.562 2.638 2.735 35 HA PRO 7 HA PRO 7 1.839 1.296 6.103 36 1HB PRO 7 HB2 PRO 7 0.796 3.381 7.974 37 2HB PRO 7 HB1 PRO 7 2.467 2.934 7.607 38 1HG PRO 7 HG2 PRO 7 1.373 5.137 6.567 39 2HG PRO 7 HG1 PRO 7 2.496 4.136 5.629 40 1HD PRO 7 HD2 PRO 7 -0.455 4.401 5.380 41 2HD PRO 7 HD1 PRO 7 0.750 4.020 4.141 42 H MET 8 HN MET 8 -1.485 2.019 6.976 43 HA MET 8 HA MET 8 -1.468 0.275 9.275 44 1HB MET 8 HB2 MET 8 -2.985 2.408 8.632 45 2HB MET 8 HB1 MET 8 -4.045 1.119 8.081 46 1HG MET 8 HG2 MET 8 -2.920 1.437 10.854 47 2HG MET 8 HG1 MET 8 -4.577 1.765 10.351 48 1HE MET 8 HE1 MET 8 -6.165 -0.276 9.281 49 2HE MET 8 HE2 MET 8 -6.337 0.249 10.956 50 3HE MET 8 HE3 MET 8 -6.351 -1.470 10.565 51 H HIS 9 HN HIS 9 -2.551 0.147 5.930 52 HA HIS 9 HA HIS 9 -3.538 -2.583 6.324 53 1HB HIS 9 HB2 HIS 9 -3.916 -0.517 4.180 54 2HB HIS 9 HB1 HIS 9 -4.218 -2.215 3.830 55 HD1 HIS 9 HD1 HIS 9 -5.595 -3.023 6.473 56 HD2 HIS 9 HD2 HIS 9 -6.468 0.427 4.329 57 HE1 HIS 9 HE1 HIS 9 -7.929 -2.382 7.153 58 HE2 HIS 9 HE2 HIS 9 -8.468 -0.341 5.777 59 H CYS 10 HN CYS 10 -3.094 -4.036 4.315 60 HA CYS 10 HA CYS 10 -1.570 -5.317 3.211 61 1HB CYS 10 HB2 CYS 10 -1.336 -2.733 2.229 62 2HB CYS 10 HB1 CYS 10 0.327 -3.197 2.569 63 H LYS 11 HN LYS 11 1.088 -5.398 2.927 64 HA LYS 11 HA LYS 11 2.033 -5.616 5.699 65 1HB LYS 11 HB2 LYS 11 3.132 -6.933 3.209 66 2HB LYS 11 HB1 LYS 11 3.643 -7.243 4.863 67 1HG LYS 11 HG2 LYS 11 0.904 -7.682 4.899 68 2HG LYS 11 HG1 LYS 11 1.443 -8.366 3.365 69 1HD LYS 11 HD2 LYS 11 3.119 -8.982 5.715 70 2HD LYS 11 HD1 LYS 11 1.506 -9.700 5.707 71 1HE LYS 11 HE2 LYS 11 2.001 -10.532 3.389 72 2HE LYS 11 HE1 LYS 11 3.664 -9.997 3.627 73 1HZ LYS 11 HZ1 LYS 11 3.861 -12.126 4.328 74 2HZ LYS 11 HZ2 LYS 11 2.248 -12.252 4.821 75 3HZ LYS 11 HZ3 LYS 11 3.370 -11.448 5.799 76 H GLY 12 HN GLY 12 4.356 -5.186 6.083 77 1HA GLY 12 HA2 GLY 12 5.443 -3.145 4.255 78 2HA GLY 12 HA1 GLY 12 5.323 -2.820 5.977 79 H LYS 13 HN LYS 13 6.460 -5.584 4.030 80 HA LYS 13 HA LYS 13 9.149 -5.229 4.899 81 1HB LYS 13 HB2 LYS 13 7.398 -6.870 6.466 82 2HB LYS 13 HB1 LYS 13 8.649 -7.874 5.748 83 1HG LYS 13 HG2 LYS 13 10.314 -6.181 6.648 84 2HG LYS 13 HG1 LYS 13 8.974 -5.533 7.596 85 1HD LYS 13 HD2 LYS 13 8.649 -7.704 8.650 86 2HD LYS 13 HD1 LYS 13 9.946 -8.390 7.668 87 1HE LYS 13 HE2 LYS 13 10.333 -6.083 9.565 88 2HE LYS 13 HE1 LYS 13 10.583 -7.768 10.021 89 1HZ LYS 13 HZ1 LYS 13 12.378 -7.968 8.570 90 2HZ LYS 13 HZ2 LYS 13 12.597 -6.442 9.264 91 3HZ LYS 13 HZ3 LYS 13 11.970 -6.576 7.699 92 H ASN 14 HN ASN 14 6.748 -7.213 3.313 93 HA ASN 14 HA ASN 14 8.744 -7.930 1.335 94 1HB ASN 14 HB2 ASN 14 7.894 -9.800 3.102 95 2HB ASN 14 HB1 ASN 14 6.659 -9.966 1.858 96 1HD2 ASN 14 1HD2 ASN 14 10.154 -9.887 2.349 97 2HD2 ASN 14 2HD2 ASN 14 10.539 -10.971 1.059 98 H ALA 15 HN ALA 15 6.745 -5.883 1.534 99 HA ALA 15 HA ALA 15 5.492 -6.293 -1.013 100 1HB ALA 15 HB1 ALA 15 3.326 -6.570 -0.450 101 2HB ALA 15 HB2 ALA 15 3.466 -5.571 0.997 102 3HB ALA 15 HB3 ALA 15 4.021 -7.245 1.024 103 H LYS 16 HN LYS 16 5.705 -4.418 -2.043 104 HA LYS 16 HA LYS 16 5.915 -1.961 -0.467 105 1HB LYS 16 HB2 LYS 16 7.771 -2.203 -1.901 106 2HB LYS 16 HB1 LYS 16 6.768 -2.692 -3.258 107 1HG LYS 16 HG2 LYS 16 6.184 -0.543 -3.778 108 2HG LYS 16 HG1 LYS 16 6.380 0.027 -2.119 109 1HD LYS 16 HD2 LYS 16 8.837 -0.947 -3.411 110 2HD LYS 16 HD1 LYS 16 8.141 0.510 -4.122 111 1HE LYS 16 HE2 LYS 16 8.141 1.586 -1.931 112 2HE LYS 16 HE1 LYS 16 8.812 0.125 -1.206 113 1HZ LYS 16 HZ1 LYS 16 10.112 2.005 -3.081 114 2HZ LYS 16 HZ2 LYS 16 10.710 0.441 -2.841 115 3HZ LYS 16 HZ3 LYS 16 10.630 1.523 -1.544 116 HA PRO 17 HA PRO 17 1.842 -0.854 -1.899 117 1HB PRO 17 HB2 PRO 17 1.638 1.519 -0.682 118 2HB PRO 17 HB1 PRO 17 1.641 0.011 0.241 119 1HG PRO 17 HG2 PRO 17 3.867 1.958 -0.214 120 2HG PRO 17 HG1 PRO 17 3.408 1.112 1.274 121 1HD PRO 17 HD2 PRO 17 5.452 0.318 -0.392 122 2HD PRO 17 HD1 PRO 17 4.576 -0.768 0.703 123 H THR 18 HN THR 18 0.886 0.465 -3.439 124 HA THR 18 HA THR 18 2.589 2.477 -4.722 125 HB THR 18 HB THR 18 2.425 0.173 -5.915 126 HG1 THR 18 HG1 THR 18 2.026 2.687 -7.138 127 1HG2 THR 18 1HG2 THR 18 0.152 1.213 -7.406 128 2HG2 THR 18 2HG2 THR 18 -0.243 0.615 -5.797 129 3HG2 THR 18 3HG2 THR 18 0.561 -0.443 -6.956 130 H CYS 19 HN CYS 19 1.566 4.290 -5.497 131 HA CYS 19 HA CYS 19 -1.215 4.594 -4.629 132 1HB CYS 19 HB2 CYS 19 1.052 6.490 -5.072 133 2HB CYS 19 HB1 CYS 19 -0.598 7.091 -5.197 134 H ASP 20 HN ASP 20 -2.749 4.380 -6.105 135 HA ASP 20 HA ASP 20 -2.239 5.313 -8.825 136 1HB ASP 20 HB2 ASP 20 -2.354 2.731 -8.369 137 2HB ASP 20 HB1 ASP 20 -4.088 3.024 -8.318 138 H ASP 21 HN ASP 21 -3.382 7.174 -8.874 139 HA ASP 21 HA ASP 21 -5.119 8.640 -8.703 140 1HB ASP 21 HB2 ASP 21 -6.406 6.052 -9.475 141 2HB ASP 21 HB1 ASP 21 -7.436 7.424 -9.075 142 H GLY 22 HN GLY 22 -4.183 8.128 -6.281 143 1HA GLY 22 HA2 GLY 22 -4.707 8.362 -4.076 144 2HA GLY 22 HA1 GLY 22 -6.356 8.640 -4.591 145 H VAL 23 HN VAL 23 -4.999 5.697 -5.669 146 HA VAL 23 HA VAL 23 -6.416 4.244 -3.531 147 HB VAL 23 HB VAL 23 -6.039 3.338 -6.385 148 1HG1 VAL 23 1HG1 VAL 23 -7.877 1.716 -5.660 149 2HG1 VAL 23 2HG1 VAL 23 -7.458 2.173 -4.009 150 3HG1 VAL 23 3HG1 VAL 23 -6.248 1.422 -5.050 151 1HG2 VAL 23 1HG2 VAL 23 -7.628 4.893 -6.783 152 2HG2 VAL 23 2HG2 VAL 23 -8.134 4.963 -5.095 153 3HG2 VAL 23 3HG2 VAL 23 -8.700 3.654 -6.132 154 H CYS 24 HN CYS 24 -4.913 3.427 -2.202 155 HA CYS 24 HA CYS 24 -2.263 2.788 -3.025 156 1HB CYS 24 HB2 CYS 24 -3.596 3.155 -0.585 157 2HB CYS 24 HB1 CYS 24 -3.044 1.483 -0.557 158 H ASN 25 HN ASN 25 -1.316 0.818 -3.434 159 HA ASN 25 HA ASN 25 -2.743 -1.644 -3.115 160 1HB ASN 25 HB2 ASN 25 -2.989 -0.230 -5.581 161 2HB ASN 25 HB1 ASN 25 -2.077 -1.709 -5.859 162 1HD2 ASN 25 1HD2 ASN 25 -3.176 -3.474 -4.172 163 2HD2 ASN 25 2HD2 ASN 25 -4.844 -3.726 -4.545 164 H CYS 26 HN CYS 26 -1.309 -3.151 -2.647 165 HA CYS 26 HA CYS 26 1.497 -2.646 -2.890 166 1HB CYS 26 HB2 CYS 26 -0.101 -5.003 -1.897 167 2HB CYS 26 HB1 CYS 26 1.657 -5.029 -1.975 168 H ASN 27 HN ASN 27 3.031 -3.994 -3.990 169 HA ASN 27 HA ASN 27 1.930 -5.202 -6.433 170 1HB ASN 27 HB2 ASN 27 3.679 -3.114 -6.278 171 2HB ASN 27 HB1 ASN 27 4.778 -4.479 -6.444 172 1HD2 ASN 27 1HD2 ASN 27 2.468 -2.474 -7.986 173 2HD2 ASN 27 2HD2 ASN 27 2.592 -3.164 -9.565 174 H VAL 28 HN VAL 28 5.001 -5.386 -4.715 175 HA VAL 28 HA VAL 28 4.668 -8.254 -4.333 176 HB VAL 28 HB VAL 28 5.739 -8.080 -6.535 177 1HG1 VAL 28 1HG1 VAL 28 8.283 -7.063 -5.465 178 2HG1 VAL 28 2HG1 VAL 28 6.985 -5.875 -5.590 179 3HG1 VAL 28 3HG1 VAL 28 7.503 -6.769 -7.019 180 1HG2 VAL 28 1HG2 VAL 28 7.095 -9.842 -6.150 181 2HG2 VAL 28 2HG2 VAL 28 6.440 -9.725 -4.517 182 3HG2 VAL 28 3HG2 VAL 28 8.005 -9.004 -4.894 Start of MODEL 13 1 1H VAL 1 HT1 VAL 1 -10.055 6.923 -1.106 2 2H VAL 1 HT2 VAL 1 -10.803 5.445 -0.658 3 3H VAL 1 HT3 VAL 1 -9.617 5.467 -1.898 4 HA VAL 1 HA VAL 1 -9.319 5.715 0.990 5 HB VAL 1 HB VAL 1 -7.497 4.332 -0.957 6 1HG1 VAL 1 1HG1 VAL 1 -6.467 4.199 1.062 7 2HG1 VAL 1 2HG1 VAL 1 -7.520 2.793 1.215 8 3HG1 VAL 1 3HG1 VAL 1 -7.977 4.322 1.966 9 1HG2 VAL 1 1HG2 VAL 1 -8.925 2.255 -0.236 10 2HG2 VAL 1 2HG2 VAL 1 -9.422 3.250 -1.604 11 3HG2 VAL 1 3HG2 VAL 1 -10.197 3.459 -0.034 12 H GLY 2 HN GLY 2 -7.086 6.231 1.721 13 1HA GLY 2 HA2 GLY 2 -5.923 8.371 0.045 14 2HA GLY 2 HA1 GLY 2 -6.043 8.480 1.794 15 H CYS 3 HN CYS 3 -3.649 8.793 0.332 16 HA CYS 3 HA CYS 3 -2.108 6.406 0.339 17 1HB CYS 3 HB2 CYS 3 -1.770 8.953 -0.657 18 2HB CYS 3 HB1 CYS 3 -0.592 8.893 0.649 19 H GLU 4 HN GLU 4 -3.216 8.370 2.854 20 HA GLU 4 HA GLU 4 -0.977 7.904 4.618 21 1HB GLU 4 HB2 GLU 4 -2.608 9.942 4.565 22 2HB GLU 4 HB1 GLU 4 -3.640 8.900 5.534 23 1HG GLU 4 HG2 GLU 4 -0.819 9.223 6.384 24 2HG GLU 4 HG1 GLU 4 -1.915 10.584 6.619 25 H GLU 5 HN GLU 5 -3.251 5.944 3.511 26 HA GLU 5 HA GLU 5 -3.410 4.417 6.014 27 1HB GLU 5 HB2 GLU 5 -5.494 4.816 3.883 28 2HB GLU 5 HB1 GLU 5 -5.559 3.453 4.993 29 1HG GLU 5 HG2 GLU 5 -6.268 4.714 6.698 30 2HG GLU 5 HG1 GLU 5 -5.190 6.049 6.292 31 H CYS 6 HN CYS 6 -1.588 4.411 3.544 32 HA CYS 6 HA CYS 6 -2.082 1.860 2.345 33 1HB CYS 6 HB2 CYS 6 -0.086 4.017 2.000 34 2HB CYS 6 HB1 CYS 6 0.390 2.398 1.500 35 HA PRO 7 HA PRO 7 1.691 0.599 4.994 36 1HB PRO 7 HB2 PRO 7 2.566 2.298 6.898 37 2HB PRO 7 HB1 PRO 7 3.097 2.407 5.217 38 1HG PRO 7 HG2 PRO 7 1.124 4.073 6.694 39 2HG PRO 7 HG1 PRO 7 2.260 4.539 5.418 40 1HD PRO 7 HD2 PRO 7 -0.460 4.034 5.068 41 2HD PRO 7 HD1 PRO 7 0.747 4.065 3.776 42 H MET 8 HN MET 8 -0.733 -0.182 5.539 43 HA MET 8 HA MET 8 -0.688 -1.012 8.216 44 1HB MET 8 HB2 MET 8 -1.373 1.395 8.538 45 2HB MET 8 HB1 MET 8 -2.851 1.023 7.662 46 1HG MET 8 HG2 MET 8 -3.795 0.083 9.441 47 2HG MET 8 HG1 MET 8 -2.345 -0.840 9.829 48 1HE MET 8 HE1 MET 8 -0.199 0.926 11.828 49 2HE MET 8 HE2 MET 8 -0.309 2.372 10.823 50 3HE MET 8 HE3 MET 8 -0.249 0.778 10.071 51 H HIS 9 HN HIS 9 -2.715 -0.285 5.422 52 HA HIS 9 HA HIS 9 -4.650 -2.303 5.931 53 1HB HIS 9 HB2 HIS 9 -4.160 -0.277 3.938 54 2HB HIS 9 HB1 HIS 9 -4.597 -1.792 3.160 55 HD1 HIS 9 HD1 HIS 9 -6.740 -2.876 4.974 56 HD2 HIS 9 HD2 HIS 9 -6.445 1.146 3.983 57 HE1 HIS 9 HE1 HIS 9 -9.042 -1.927 5.329 58 HE2 HIS 9 HE2 HIS 9 -8.861 0.489 4.635 59 H CYS 10 HN CYS 10 -1.655 -2.180 4.086 60 HA CYS 10 HA CYS 10 -1.950 -5.054 3.503 61 1HB CYS 10 HB2 CYS 10 -0.872 -2.789 1.936 62 2HB CYS 10 HB1 CYS 10 0.058 -4.281 1.853 63 H LYS 11 HN LYS 11 0.222 -6.196 3.315 64 HA LYS 11 HA LYS 11 1.589 -5.930 5.798 65 1HB LYS 11 HB2 LYS 11 2.246 -7.597 3.362 66 2HB LYS 11 HB1 LYS 11 3.035 -7.750 4.926 67 1HG LYS 11 HG2 LYS 11 0.426 -7.995 5.630 68 2HG LYS 11 HG1 LYS 11 0.424 -8.726 4.024 69 1HD LYS 11 HD2 LYS 11 1.645 -10.502 4.693 70 2HD LYS 11 HD1 LYS 11 2.653 -9.531 5.768 71 1HE LYS 11 HE2 LYS 11 0.783 -9.445 7.381 72 2HE LYS 11 HE1 LYS 11 -0.150 -10.498 6.319 73 1HZ LYS 11 HZ1 LYS 11 2.508 -11.397 7.149 74 2HZ LYS 11 HZ2 LYS 11 1.110 -12.299 6.844 75 3HZ LYS 11 HZ3 LYS 11 1.266 -11.448 8.298 76 H GLY 12 HN GLY 12 3.870 -5.557 6.097 77 1HA GLY 12 HA2 GLY 12 5.095 -3.921 3.969 78 2HA GLY 12 HA1 GLY 12 5.057 -3.353 5.630 79 H LYS 13 HN LYS 13 5.946 -6.373 3.955 80 HA LYS 13 HA LYS 13 8.629 -6.174 4.956 81 1HB LYS 13 HB2 LYS 13 7.370 -7.219 6.828 82 2HB LYS 13 HB1 LYS 13 6.929 -8.536 5.750 83 1HG LYS 13 HG2 LYS 13 9.570 -8.641 5.445 84 2HG LYS 13 HG1 LYS 13 9.512 -7.937 7.062 85 1HD LYS 13 HD2 LYS 13 7.830 -10.323 6.419 86 2HD LYS 13 HD1 LYS 13 9.548 -10.530 6.765 87 1HE LYS 13 HE2 LYS 13 9.145 -9.200 8.879 88 2HE LYS 13 HE1 LYS 13 7.421 -9.371 8.550 89 1HZ LYS 13 HZ1 LYS 13 7.983 -11.110 10.000 90 2HZ LYS 13 HZ2 LYS 13 9.382 -11.510 9.137 91 3HZ LYS 13 HZ3 LYS 13 7.860 -11.837 8.477 92 H ASN 14 HN ASN 14 6.261 -7.662 2.938 93 HA ASN 14 HA ASN 14 8.376 -8.593 1.200 94 1HB ASN 14 HB2 ASN 14 6.293 -10.283 2.472 95 2HB ASN 14 HB1 ASN 14 6.607 -10.577 0.764 96 1HD2 ASN 14 1HD2 ASN 14 7.404 -12.638 1.293 97 2HD2 ASN 14 2HD2 ASN 14 8.983 -12.845 1.962 98 H ALA 15 HN ALA 15 6.622 -6.323 1.299 99 HA ALA 15 HA ALA 15 5.845 -6.209 -1.391 100 1HB ALA 15 HB1 ALA 15 3.584 -6.536 -1.436 101 2HB ALA 15 HB2 ALA 15 3.383 -6.127 0.268 102 3HB ALA 15 HB3 ALA 15 4.034 -7.701 -0.190 103 H LYS 16 HN LYS 16 5.880 -4.125 -1.963 104 HA LYS 16 HA LYS 16 5.743 -2.122 0.165 105 1HB LYS 16 HB2 LYS 16 7.748 -1.977 -1.115 106 2HB LYS 16 HB1 LYS 16 6.863 -2.037 -2.631 107 1HG LYS 16 HG2 LYS 16 6.723 0.171 -2.675 108 2HG LYS 16 HG1 LYS 16 5.936 0.186 -1.097 109 1HD LYS 16 HD2 LYS 16 7.777 1.348 -0.494 110 2HD LYS 16 HD1 LYS 16 8.488 -0.261 -0.352 111 1HE LYS 16 HE2 LYS 16 8.577 1.346 -2.893 112 2HE LYS 16 HE1 LYS 16 9.825 1.453 -1.653 113 1HZ LYS 16 HZ1 LYS 16 9.937 -0.252 -3.673 114 2HZ LYS 16 HZ2 LYS 16 9.123 -1.223 -2.553 115 3HZ LYS 16 HZ3 LYS 16 10.635 -0.573 -2.165 116 HA PRO 17 HA PRO 17 1.720 -0.917 -1.306 117 1HB PRO 17 HB2 PRO 17 1.417 1.313 0.182 118 2HB PRO 17 HB1 PRO 17 1.318 -0.308 0.881 119 1HG PRO 17 HG2 PRO 17 3.609 1.621 0.886 120 2HG PRO 17 HG1 PRO 17 2.996 0.610 2.207 121 1HD PRO 17 HD2 PRO 17 5.177 -0.053 0.718 122 2HD PRO 17 HD1 PRO 17 4.105 -1.259 1.456 123 H THR 18 HN THR 18 0.872 0.444 -2.823 124 HA THR 18 HA THR 18 2.484 2.740 -3.672 125 HB THR 18 HB THR 18 2.897 0.774 -5.153 126 HG1 THR 18 HG1 THR 18 1.530 2.900 -6.435 127 1HG2 THR 18 1HG2 THR 18 0.580 0.954 -6.748 128 2HG2 THR 18 2HG2 THR 18 0.086 0.593 -5.095 129 3HG2 THR 18 3HG2 THR 18 1.243 -0.453 -5.917 130 H CYS 19 HN CYS 19 1.323 4.400 -4.781 131 HA CYS 19 HA CYS 19 -1.568 4.338 -4.217 132 1HB CYS 19 HB2 CYS 19 0.493 6.413 -3.783 133 2HB CYS 19 HB1 CYS 19 -1.063 6.978 -4.380 134 H ASP 20 HN ASP 20 -2.800 4.275 -5.961 135 HA ASP 20 HA ASP 20 -1.919 5.656 -8.376 136 1HB ASP 20 HB2 ASP 20 -1.790 3.034 -8.303 137 2HB ASP 20 HB1 ASP 20 -3.526 3.148 -8.565 138 H ASP 21 HN ASP 21 -3.264 7.365 -8.450 139 HA ASP 21 HA ASP 21 -5.171 8.612 -8.444 140 1HB ASP 21 HB2 ASP 21 -5.950 6.042 -9.750 141 2HB ASP 21 HB1 ASP 21 -7.220 7.202 -9.372 142 H GLY 22 HN GLY 22 -4.619 7.865 -5.960 143 1HA GLY 22 HA2 GLY 22 -5.548 7.746 -3.883 144 2HA GLY 22 HA1 GLY 22 -7.098 7.956 -4.667 145 H VAL 23 HN VAL 23 -5.266 5.306 -5.798 146 HA VAL 23 HA VAL 23 -6.905 3.470 -4.176 147 HB VAL 23 HB VAL 23 -5.839 2.973 -6.958 148 1HG1 VAL 23 1HG1 VAL 23 -7.823 1.196 -6.629 149 2HG1 VAL 23 2HG1 VAL 23 -7.265 1.330 -4.962 150 3HG1 VAL 23 3HG1 VAL 23 -6.140 0.852 -6.233 151 1HG2 VAL 23 1HG2 VAL 23 -7.747 3.750 -7.870 152 2HG2 VAL 23 2HG2 VAL 23 -7.849 4.690 -6.382 153 3HG2 VAL 23 3HG2 VAL 23 -8.743 3.177 -6.532 154 H CYS 24 HN CYS 24 -5.584 2.745 -2.607 155 HA CYS 24 HA CYS 24 -2.780 2.397 -2.942 156 1HB CYS 24 HB2 CYS 24 -4.025 2.857 -0.764 157 2HB CYS 24 HB1 CYS 24 -4.458 1.150 -0.768 158 H ASN 25 HN ASN 25 -1.574 0.488 -3.042 159 HA ASN 25 HA ASN 25 -2.848 -2.067 -3.266 160 1HB ASN 25 HB2 ASN 25 -2.442 -0.514 -5.634 161 2HB ASN 25 HB1 ASN 25 -1.417 -1.943 -5.690 162 1HD2 ASN 25 1HD2 ASN 25 -2.782 -2.544 -7.490 163 2HD2 ASN 25 2HD2 ASN 25 -4.289 -3.332 -7.183 164 H CYS 26 HN CYS 26 -1.506 -3.501 -2.439 165 HA CYS 26 HA CYS 26 1.340 -2.836 -2.248 166 1HB CYS 26 HB2 CYS 26 1.404 -4.633 -0.524 167 2HB CYS 26 HB1 CYS 26 0.288 -3.331 -0.129 168 H ASN 27 HN ASN 27 2.873 -3.960 -3.290 169 HA ASN 27 HA ASN 27 2.201 -6.565 -4.438 170 1HB ASN 27 HB2 ASN 27 3.192 -4.163 -5.946 171 2HB ASN 27 HB1 ASN 27 3.480 -5.797 -6.537 172 1HD2 ASN 27 1HD2 ASN 27 1.190 -3.279 -6.106 173 2HD2 ASN 27 2HD2 ASN 27 -0.133 -4.043 -6.913 174 H VAL 28 HN VAL 28 4.988 -4.513 -5.016 175 HA VAL 28 HA VAL 28 6.643 -6.160 -3.266 176 HB VAL 28 HB VAL 28 7.414 -5.722 -6.151 177 1HG1 VAL 28 1HG1 VAL 28 8.652 -7.840 -4.523 178 2HG1 VAL 28 2HG1 VAL 28 9.033 -6.186 -4.044 179 3HG1 VAL 28 3HG1 VAL 28 9.375 -6.730 -5.687 180 1HG2 VAL 28 1HG2 VAL 28 7.085 -8.313 -6.153 181 2HG2 VAL 28 2HG2 VAL 28 5.704 -7.246 -6.405 182 3HG2 VAL 28 3HG2 VAL 28 5.976 -7.977 -4.824 Start of MODEL 14 1 1H VAL 1 HT1 VAL 1 -7.761 7.638 5.211 2 2H VAL 1 HT2 VAL 1 -8.843 6.308 5.292 3 3H VAL 1 HT3 VAL 1 -9.193 7.641 4.269 4 HA VAL 1 HA VAL 1 -7.237 5.503 3.963 5 HB VAL 1 HB VAL 1 -8.881 6.841 1.834 6 1HG1 VAL 1 1HG1 VAL 1 -7.394 4.282 2.155 7 2HG1 VAL 1 2HG1 VAL 1 -7.426 5.407 0.798 8 3HG1 VAL 1 3HG1 VAL 1 -8.791 4.326 1.080 9 1HG2 VAL 1 1HG2 VAL 1 -9.805 4.962 3.949 10 2HG2 VAL 1 2HG2 VAL 1 -10.433 4.763 2.313 11 3HG2 VAL 1 3HG2 VAL 1 -10.660 6.290 3.166 12 H GLY 2 HN GLY 2 -5.761 5.771 2.079 13 1HA GLY 2 HA2 GLY 2 -5.002 7.909 0.693 14 2HA GLY 2 HA1 GLY 2 -4.423 8.347 2.293 15 H CYS 3 HN CYS 3 -2.610 8.184 0.309 16 HA CYS 3 HA CYS 3 -1.433 5.674 -0.123 17 1HB CYS 3 HB2 CYS 3 -0.872 8.383 -0.787 18 2HB CYS 3 HB1 CYS 3 0.593 7.692 -0.098 19 H GLU 4 HN GLU 4 -1.241 7.893 2.552 20 HA GLU 4 HA GLU 4 1.024 6.535 3.740 21 1HB GLU 4 HB2 GLU 4 -0.696 8.836 4.624 22 2HB GLU 4 HB1 GLU 4 0.563 8.152 5.643 23 1HG GLU 4 HG2 GLU 4 2.053 8.581 3.519 24 2HG GLU 4 HG1 GLU 4 0.796 9.764 3.158 25 H GLU 5 HN GLU 5 -2.043 5.702 3.436 26 HA GLU 5 HA GLU 5 -2.405 4.713 6.162 27 1HB GLU 5 HB2 GLU 5 -4.269 5.050 3.831 28 2HB GLU 5 HB1 GLU 5 -4.699 4.027 5.195 29 1HG GLU 5 HG2 GLU 5 -3.764 6.561 6.144 30 2HG GLU 5 HG1 GLU 5 -5.031 6.799 4.940 31 H CYS 6 HN CYS 6 -1.736 3.663 2.921 32 HA CYS 6 HA CYS 6 -2.401 0.948 3.244 33 1HB CYS 6 HB2 CYS 6 -0.376 2.118 1.353 34 2HB CYS 6 HB1 CYS 6 -1.193 0.568 1.186 35 HA PRO 7 HA PRO 7 2.494 0.678 4.104 36 1HB PRO 7 HB2 PRO 7 2.398 3.017 5.953 37 2HB PRO 7 HB1 PRO 7 3.711 2.462 4.909 38 1HG PRO 7 HG2 PRO 7 2.231 4.586 4.249 39 2HG PRO 7 HG1 PRO 7 2.803 3.443 3.019 40 1HD PRO 7 HD2 PRO 7 0.074 3.776 4.169 41 2HD PRO 7 HD1 PRO 7 0.557 3.275 2.541 42 H MET 8 HN MET 8 -0.177 1.627 6.145 43 HA MET 8 HA MET 8 0.808 -0.107 8.299 44 1HB MET 8 HB2 MET 8 0.204 2.249 8.864 45 2HB MET 8 HB1 MET 8 -1.452 1.896 8.391 46 1HG MET 8 HG2 MET 8 -1.512 0.129 10.132 47 2HG MET 8 HG1 MET 8 0.088 0.652 10.655 48 1HE MET 8 HE1 MET 8 -3.316 2.563 9.637 49 2HE MET 8 HE2 MET 8 -3.900 2.820 11.281 50 3HE MET 8 HE3 MET 8 -3.654 1.181 10.679 51 H HIS 9 HN HIS 9 -1.933 0.445 6.139 52 HA HIS 9 HA HIS 9 -3.320 -1.856 7.254 53 1HB HIS 9 HB2 HIS 9 -5.237 -1.142 6.112 54 2HB HIS 9 HB1 HIS 9 -4.458 0.344 6.614 55 HD1 HIS 9 HD1 HIS 9 -4.175 -1.808 3.458 56 HD2 HIS 9 HD2 HIS 9 -4.768 2.120 4.657 57 HE1 HIS 9 HE1 HIS 9 -4.388 -0.485 1.333 58 HE2 HIS 9 HE2 HIS 9 -4.842 1.877 2.083 59 H CYS 10 HN CYS 10 -0.781 -1.913 5.519 60 HA CYS 10 HA CYS 10 -1.786 -3.960 3.658 61 1HB CYS 10 HB2 CYS 10 -1.121 -1.995 2.366 62 2HB CYS 10 HB1 CYS 10 0.455 -1.991 3.150 63 H LYS 11 HN LYS 11 -1.273 -5.733 4.872 64 HA LYS 11 HA LYS 11 1.067 -6.055 6.392 65 1HB LYS 11 HB2 LYS 11 -1.126 -7.434 6.395 66 2HB LYS 11 HB1 LYS 11 -0.364 -8.362 5.111 67 1HG LYS 11 HG2 LYS 11 0.391 -9.620 6.802 68 2HG LYS 11 HG1 LYS 11 1.610 -8.354 6.956 69 1HD LYS 11 HD2 LYS 11 -0.381 -7.288 8.433 70 2HD LYS 11 HD1 LYS 11 -0.681 -9.007 8.696 71 1HE LYS 11 HE2 LYS 11 0.846 -8.798 10.328 72 2HE LYS 11 HE1 LYS 11 2.014 -8.886 9.010 73 1HZ LYS 11 HZ1 LYS 11 2.015 -6.927 10.759 74 2HZ LYS 11 HZ2 LYS 11 0.922 -6.257 9.657 75 3HZ LYS 11 HZ3 LYS 11 2.477 -6.687 9.149 76 H GLY 12 HN GLY 12 2.969 -7.284 5.967 77 1HA GLY 12 HA2 GLY 12 4.104 -8.691 4.221 78 2HA GLY 12 HA1 GLY 12 3.603 -7.445 3.088 79 H LYS 13 HN LYS 13 5.999 -8.482 5.221 80 HA LYS 13 HA LYS 13 7.244 -6.119 6.010 81 1HB LYS 13 HB2 LYS 13 7.815 -8.439 6.783 82 2HB LYS 13 HB1 LYS 13 8.641 -8.686 5.250 83 1HG LYS 13 HG2 LYS 13 10.389 -7.344 5.814 84 2HG LYS 13 HG1 LYS 13 9.409 -6.320 6.865 85 1HD LYS 13 HD2 LYS 13 10.554 -7.430 8.480 86 2HD LYS 13 HD1 LYS 13 9.262 -8.609 8.242 87 1HE LYS 13 HE2 LYS 13 11.633 -8.843 6.486 88 2HE LYS 13 HE1 LYS 13 11.859 -9.254 8.185 89 1HZ LYS 13 HZ1 LYS 13 10.529 -11.061 8.020 90 2HZ LYS 13 HZ2 LYS 13 11.032 -11.006 6.407 91 3HZ LYS 13 HZ3 LYS 13 9.524 -10.377 6.843 92 H ASN 14 HN ASN 14 7.026 -7.593 2.919 93 HA ASN 14 HA ASN 14 8.825 -5.569 1.834 94 1HB ASN 14 HB2 ASN 14 9.796 -7.920 1.819 95 2HB ASN 14 HB1 ASN 14 8.538 -8.328 0.657 96 1HD2 ASN 14 1HD2 ASN 14 10.803 -5.635 1.140 97 2HD2 ASN 14 2HD2 ASN 14 11.388 -5.615 -0.485 98 H ALA 15 HN ALA 15 6.040 -5.336 2.166 99 HA ALA 15 HA ALA 15 5.090 -5.489 -0.612 100 1HB ALA 15 HB1 ALA 15 3.877 -6.811 1.232 101 2HB ALA 15 HB2 ALA 15 2.909 -5.838 0.124 102 3HB ALA 15 HB3 ALA 15 3.259 -5.241 1.746 103 H LYS 16 HN LYS 16 5.667 -3.512 -1.396 104 HA LYS 16 HA LYS 16 5.152 -1.122 0.164 105 1HB LYS 16 HB2 LYS 16 7.192 -1.049 -1.017 106 2HB LYS 16 HB1 LYS 16 6.451 -1.619 -2.504 107 1HG LYS 16 HG2 LYS 16 5.751 0.443 -3.102 108 2HG LYS 16 HG1 LYS 16 5.431 0.936 -1.438 109 1HD LYS 16 HD2 LYS 16 8.264 0.492 -2.157 110 2HD LYS 16 HD1 LYS 16 7.477 1.889 -2.895 111 1HE LYS 16 HE2 LYS 16 6.995 1.528 -0.012 112 2HE LYS 16 HE1 LYS 16 8.655 1.917 -0.462 113 1HZ LYS 16 HZ1 LYS 16 6.206 3.501 -0.957 114 2HZ LYS 16 HZ2 LYS 16 7.639 3.787 -1.810 115 3HZ LYS 16 HZ3 LYS 16 7.607 3.963 -0.128 116 HA PRO 17 HA PRO 17 1.190 -0.554 -1.794 117 1HB PRO 17 HB2 PRO 17 0.452 1.670 -0.514 118 2HB PRO 17 HB1 PRO 17 0.584 0.127 0.340 119 1HG PRO 17 HG2 PRO 17 2.497 2.427 0.276 120 2HG PRO 17 HG1 PRO 17 2.003 1.419 1.648 121 1HD PRO 17 HD2 PRO 17 4.341 1.080 0.213 122 2HD PRO 17 HD1 PRO 17 3.549 -0.191 1.164 123 H THR 18 HN THR 18 0.220 0.759 -3.351 124 HA THR 18 HA THR 18 1.731 3.084 -4.283 125 HB THR 18 HB THR 18 2.319 1.032 -5.620 126 HG1 THR 18 HG1 THR 18 2.426 3.225 -6.438 127 1HG2 THR 18 1HG2 THR 18 -0.463 0.741 -5.737 128 2HG2 THR 18 2HG2 THR 18 0.773 -0.247 -6.514 129 3HG2 THR 18 3HG2 THR 18 0.084 1.136 -7.364 130 H CYS 19 HN CYS 19 0.506 4.637 -5.445 131 HA CYS 19 HA CYS 19 -2.389 4.389 -4.975 132 1HB CYS 19 HB2 CYS 19 -0.526 6.743 -4.934 133 2HB CYS 19 HB1 CYS 19 -2.247 6.976 -5.219 134 H ASP 20 HN ASP 20 -3.575 4.070 -6.725 135 HA ASP 20 HA ASP 20 -2.742 5.289 -9.246 136 1HB ASP 20 HB2 ASP 20 -2.496 2.691 -8.943 137 2HB ASP 20 HB1 ASP 20 -4.233 2.702 -9.221 138 H ASP 21 HN ASP 21 -4.158 6.939 -9.434 139 HA ASP 21 HA ASP 21 -6.121 8.093 -9.535 140 1HB ASP 21 HB2 ASP 21 -6.752 5.412 -10.686 141 2HB ASP 21 HB1 ASP 21 -8.087 6.521 -10.389 142 H GLY 22 HN GLY 22 -5.572 7.545 -7.003 143 1HA GLY 22 HA2 GLY 22 -6.520 7.513 -4.933 144 2HA GLY 22 HA1 GLY 22 -8.070 7.586 -5.743 145 H VAL 23 HN VAL 23 -6.068 4.972 -6.669 146 HA VAL 23 HA VAL 23 -7.626 3.158 -4.944 147 HB VAL 23 HB VAL 23 -6.527 2.544 -7.687 148 1HG1 VAL 23 1HG1 VAL 23 -6.770 0.625 -6.123 149 2HG1 VAL 23 2HG1 VAL 23 -7.795 0.509 -7.553 150 3HG1 VAL 23 3HG1 VAL 23 -8.491 0.992 -6.006 151 1HG2 VAL 23 1HG2 VAL 23 -8.232 3.907 -8.309 152 2HG2 VAL 23 2HG2 VAL 23 -9.113 3.678 -6.799 153 3HG2 VAL 23 3HG2 VAL 23 -9.169 2.436 -8.049 154 H CYS 24 HN CYS 24 -6.262 2.613 -3.332 155 HA CYS 24 HA CYS 24 -3.457 2.433 -3.575 156 1HB CYS 24 HB2 CYS 24 -4.555 2.796 -1.417 157 2HB CYS 24 HB1 CYS 24 -5.296 1.202 -1.509 158 H ASN 25 HN ASN 25 -2.088 0.640 -3.695 159 HA ASN 25 HA ASN 25 -3.128 -2.011 -3.998 160 1HB ASN 25 HB2 ASN 25 -2.816 -0.384 -6.326 161 2HB ASN 25 HB1 ASN 25 -1.656 -1.705 -6.383 162 1HD2 ASN 25 1HD2 ASN 25 -4.888 -0.775 -6.784 163 2HD2 ASN 25 2HD2 ASN 25 -5.553 -2.340 -7.086 164 H CYS 26 HN CYS 26 -1.687 -3.339 -3.162 165 HA CYS 26 HA CYS 26 1.070 -2.426 -2.836 166 1HB CYS 26 HB2 CYS 26 -0.394 -4.763 -1.591 167 2HB CYS 26 HB1 CYS 26 1.263 -4.296 -1.225 168 H ASN 27 HN ASN 27 2.843 -3.961 -3.184 169 HA ASN 27 HA ASN 27 2.283 -6.112 -5.069 170 1HB ASN 27 HB2 ASN 27 3.717 -3.603 -5.711 171 2HB ASN 27 HB1 ASN 27 4.438 -5.093 -6.311 172 1HD2 ASN 27 1HD2 ASN 27 3.205 -2.885 -7.763 173 2HD2 ASN 27 2HD2 ASN 27 1.929 -3.581 -8.696 174 H VAL 28 HN VAL 28 5.333 -4.536 -4.355 175 HA VAL 28 HA VAL 28 6.126 -6.566 -2.462 176 HB VAL 28 HB VAL 28 6.523 -7.699 -4.615 177 1HG1 VAL 28 1HG1 VAL 28 8.344 -5.358 -5.150 178 2HG1 VAL 28 2HG1 VAL 28 6.911 -5.828 -6.065 179 3HG1 VAL 28 3HG1 VAL 28 8.345 -6.855 -6.082 180 1HG2 VAL 28 1HG2 VAL 28 8.075 -7.789 -2.497 181 2HG2 VAL 28 2HG2 VAL 28 9.244 -7.047 -3.590 182 3HG2 VAL 28 3HG2 VAL 28 8.533 -8.611 -3.990 Start of MODEL 15 1 1H VAL 1 HT1 VAL 1 -8.424 7.607 6.224 2 2H VAL 1 HT2 VAL 1 -8.725 8.155 4.626 3 3H VAL 1 HT3 VAL 1 -7.537 8.930 5.592 4 HA VAL 1 HA VAL 1 -6.055 7.279 5.383 5 HB VAL 1 HB VAL 1 -6.725 4.995 4.517 6 1HG1 VAL 1 1HG1 VAL 1 -7.927 4.461 6.798 7 2HG1 VAL 1 2HG1 VAL 1 -7.471 6.124 7.168 8 3HG1 VAL 1 3HG1 VAL 1 -6.231 4.941 6.752 9 1HG2 VAL 1 1HG2 VAL 1 -9.487 5.437 5.448 10 2HG2 VAL 1 2HG2 VAL 1 -8.876 4.411 4.151 11 3HG2 VAL 1 3HG2 VAL 1 -9.079 6.142 3.884 12 H GLY 2 HN GLY 2 -4.765 7.136 3.618 13 1HA GLY 2 HA2 GLY 2 -5.979 7.172 0.956 14 2HA GLY 2 HA1 GLY 2 -4.943 8.523 1.390 15 H CYS 3 HN CYS 3 -2.793 8.327 1.142 16 HA CYS 3 HA CYS 3 -1.784 5.684 0.325 17 1HB CYS 3 HB2 CYS 3 -1.697 8.052 -1.072 18 2HB CYS 3 HB1 CYS 3 -0.107 8.004 -0.319 19 H GLU 4 HN GLU 4 -0.943 8.618 2.130 20 HA GLU 4 HA GLU 4 1.501 7.799 3.137 21 1HB GLU 4 HB2 GLU 4 0.787 9.318 5.150 22 2HB GLU 4 HB1 GLU 4 1.128 10.022 3.577 23 1HG GLU 4 HG2 GLU 4 -1.139 10.348 3.109 24 2HG GLU 4 HG1 GLU 4 -1.650 9.238 4.380 25 H GLU 5 HN GLU 5 -1.613 6.870 3.993 26 HA GLU 5 HA GLU 5 -0.633 5.365 6.311 27 1HB GLU 5 HB2 GLU 5 -3.424 6.279 5.623 28 2HB GLU 5 HB1 GLU 5 -3.045 5.218 6.972 29 1HG GLU 5 HG2 GLU 5 -2.860 7.064 8.188 30 2HG GLU 5 HG1 GLU 5 -1.334 7.336 7.349 31 H CYS 6 HN CYS 6 -0.519 4.639 3.401 32 HA CYS 6 HA CYS 6 -2.363 2.468 3.110 33 1HB CYS 6 HB2 CYS 6 -1.257 3.961 1.264 34 2HB CYS 6 HB1 CYS 6 0.034 2.769 1.365 35 HA PRO 7 HA PRO 7 2.016 0.127 3.609 36 1HB PRO 7 HB2 PRO 7 2.822 1.925 5.852 37 2HB PRO 7 HB1 PRO 7 3.827 1.094 4.659 38 1HG PRO 7 HG2 PRO 7 3.329 3.708 4.452 39 2HG PRO 7 HG1 PRO 7 3.416 2.673 3.015 40 1HD PRO 7 HD2 PRO 7 1.032 3.858 4.350 41 2HD PRO 7 HD1 PRO 7 1.297 3.487 2.639 42 H MET 8 HN MET 8 -0.039 1.626 6.018 43 HA MET 8 HA MET 8 0.323 -0.502 7.938 44 1HB MET 8 HB2 MET 8 -0.292 2.056 8.294 45 2HB MET 8 HB1 MET 8 -1.932 1.439 8.139 46 1HG MET 8 HG2 MET 8 -1.722 1.217 10.369 47 2HG MET 8 HG1 MET 8 -1.000 -0.322 9.905 48 1HE MET 8 HE1 MET 8 2.007 0.680 8.826 49 2HE MET 8 HE2 MET 8 1.445 -0.767 9.663 50 3HE MET 8 HE3 MET 8 2.755 0.195 10.348 51 H HIS 9 HN HIS 9 -1.888 0.315 5.381 52 HA HIS 9 HA HIS 9 -4.006 -1.406 6.198 53 1HB HIS 9 HB2 HIS 9 -3.327 0.108 3.714 54 2HB HIS 9 HB1 HIS 9 -4.552 -1.152 3.624 55 HD1 HIS 9 HD1 HIS 9 -6.111 -0.731 6.168 56 HD2 HIS 9 HD2 HIS 9 -4.741 2.404 3.814 57 HE1 HIS 9 HE1 HIS 9 -7.594 1.224 6.723 58 HE2 HIS 9 HE2 HIS 9 -6.695 3.132 5.344 59 H CYS 10 HN CYS 10 -2.243 -1.749 3.138 60 HA CYS 10 HA CYS 10 -2.632 -4.566 3.103 61 1HB CYS 10 HB2 CYS 10 -1.059 -4.471 1.121 62 2HB CYS 10 HB1 CYS 10 -2.506 -3.477 0.993 63 H LYS 11 HN LYS 11 -1.571 -5.990 4.285 64 HA LYS 11 HA LYS 11 0.853 -5.392 5.651 65 1HB LYS 11 HB2 LYS 11 -0.940 -7.018 6.400 66 2HB LYS 11 HB1 LYS 11 -0.324 -8.133 5.188 67 1HG LYS 11 HG2 LYS 11 1.780 -8.291 6.291 68 2HG LYS 11 HG1 LYS 11 1.362 -6.978 7.394 69 1HD LYS 11 HD2 LYS 11 -0.334 -8.322 8.439 70 2HD LYS 11 HD1 LYS 11 -0.117 -9.602 7.243 71 1HE LYS 11 HE2 LYS 11 1.911 -10.270 8.135 72 2HE LYS 11 HE1 LYS 11 2.200 -8.712 8.907 73 1HZ LYS 11 HZ1 LYS 11 0.570 -10.967 9.823 74 2HZ LYS 11 HZ2 LYS 11 0.082 -9.406 10.255 75 3HZ LYS 11 HZ3 LYS 11 1.615 -9.966 10.699 76 H GLY 12 HN GLY 12 2.819 -6.791 5.472 77 1HA GLY 12 HA2 GLY 12 3.801 -8.411 3.706 78 2HA GLY 12 HA1 GLY 12 3.520 -7.047 2.636 79 H LYS 13 HN LYS 13 5.625 -8.482 4.875 80 HA LYS 13 HA LYS 13 7.105 -6.307 5.808 81 1HB LYS 13 HB2 LYS 13 8.047 -9.104 5.153 82 2HB LYS 13 HB1 LYS 13 8.951 -7.934 6.105 83 1HG LYS 13 HG2 LYS 13 6.224 -8.957 6.857 84 2HG LYS 13 HG1 LYS 13 7.738 -9.651 7.440 85 1HD LYS 13 HD2 LYS 13 8.163 -7.901 8.824 86 2HD LYS 13 HD1 LYS 13 7.412 -6.725 7.743 87 1HE LYS 13 HE2 LYS 13 5.780 -6.709 9.290 88 2HE LYS 13 HE1 LYS 13 5.255 -8.182 8.476 89 1HZ LYS 13 HZ1 LYS 13 6.222 -9.513 10.112 90 2HZ LYS 13 HZ2 LYS 13 5.497 -8.260 10.986 91 3HZ LYS 13 HZ3 LYS 13 7.168 -8.254 10.729 92 H ASN 14 HN ASN 14 6.921 -7.719 2.687 93 HA ASN 14 HA ASN 14 8.992 -5.900 1.750 94 1HB ASN 14 HB2 ASN 14 9.448 -8.561 1.827 95 2HB ASN 14 HB1 ASN 14 8.682 -8.430 0.247 96 1HD2 ASN 14 1HD2 ASN 14 10.881 -9.221 -0.344 97 2HD2 ASN 14 2HD2 ASN 14 12.094 -8.032 -0.660 98 H ALA 15 HN ALA 15 6.186 -5.539 1.878 99 HA ALA 15 HA ALA 15 5.544 -5.427 -0.988 100 1HB ALA 15 HB1 ALA 15 4.184 -6.964 0.761 101 2HB ALA 15 HB2 ALA 15 3.465 -6.244 -0.680 102 3HB ALA 15 HB3 ALA 15 3.275 -5.458 0.888 103 H LYS 16 HN LYS 16 5.955 -3.343 -1.479 104 HA LYS 16 HA LYS 16 5.293 -1.222 0.367 105 1HB LYS 16 HB2 LYS 16 7.339 -0.982 -0.852 106 2HB LYS 16 HB1 LYS 16 6.520 -1.222 -2.388 107 1HG LYS 16 HG2 LYS 16 5.281 0.970 -1.107 108 2HG LYS 16 HG1 LYS 16 7.025 1.198 -0.981 109 1HD LYS 16 HD2 LYS 16 5.945 0.337 -3.607 110 2HD LYS 16 HD1 LYS 16 5.630 1.999 -3.103 111 1HE LYS 16 HE2 LYS 16 7.651 1.982 -4.381 112 2HE LYS 16 HE1 LYS 16 8.074 2.264 -2.693 113 1HZ LYS 16 HZ1 LYS 16 9.587 0.681 -3.583 114 2HZ LYS 16 HZ2 LYS 16 8.338 -0.275 -4.205 115 3HZ LYS 16 HZ3 LYS 16 8.556 -0.154 -2.532 116 HA PRO 17 HA PRO 17 1.209 -0.634 -1.284 117 1HB PRO 17 HB2 PRO 17 0.726 1.814 -0.199 118 2HB PRO 17 HB1 PRO 17 0.640 0.309 0.720 119 1HG PRO 17 HG2 PRO 17 2.851 2.319 0.578 120 2HG PRO 17 HG1 PRO 17 2.211 1.455 1.989 121 1HD PRO 17 HD2 PRO 17 4.499 0.715 0.745 122 2HD PRO 17 HD1 PRO 17 3.413 -0.456 1.521 123 H THR 18 HN THR 18 0.385 0.230 -3.094 124 HA THR 18 HA THR 18 1.779 2.509 -4.314 125 HB THR 18 HB THR 18 0.624 1.033 -6.360 126 HG1 THR 18 HG1 THR 18 2.150 -0.630 -4.657 127 1HG2 THR 18 1HG2 THR 18 3.518 0.844 -5.683 128 2HG2 THR 18 2HG2 THR 18 2.803 2.346 -6.274 129 3HG2 THR 18 3HG2 THR 18 2.746 0.890 -7.269 130 H CYS 19 HN CYS 19 0.540 4.053 -5.312 131 HA CYS 19 HA CYS 19 -2.350 3.816 -4.847 132 1HB CYS 19 HB2 CYS 19 -0.440 6.086 -4.737 133 2HB CYS 19 HB1 CYS 19 -2.067 6.433 -5.309 134 H ASP 20 HN ASP 20 -3.588 3.494 -6.561 135 HA ASP 20 HA ASP 20 -2.762 4.587 -9.138 136 1HB ASP 20 HB2 ASP 20 -2.521 2.004 -8.725 137 2HB ASP 20 HB1 ASP 20 -4.259 2.009 -8.994 138 H ASP 21 HN ASP 21 -4.178 6.207 -9.444 139 HA ASP 21 HA ASP 21 -6.136 7.363 -9.593 140 1HB ASP 21 HB2 ASP 21 -6.769 4.623 -10.577 141 2HB ASP 21 HB1 ASP 21 -8.119 5.721 -10.304 142 H GLY 22 HN GLY 22 -5.561 6.970 -7.034 143 1HA GLY 22 HA2 GLY 22 -6.501 7.106 -4.962 144 2HA GLY 22 HA1 GLY 22 -8.056 7.104 -5.764 145 H VAL 23 HN VAL 23 -6.058 4.442 -6.519 146 HA VAL 23 HA VAL 23 -7.629 2.746 -4.692 147 HB VAL 23 HB VAL 23 -6.343 1.908 -7.293 148 1HG1 VAL 23 1HG1 VAL 23 -8.564 0.374 -6.117 149 2HG1 VAL 23 2HG1 VAL 23 -7.047 0.330 -5.219 150 3HG1 VAL 23 3HG1 VAL 23 -7.089 -0.184 -6.906 151 1HG2 VAL 23 1HG2 VAL 23 -9.207 2.649 -6.707 152 2HG2 VAL 23 2HG2 VAL 23 -8.653 1.868 -8.188 153 3HG2 VAL 23 3HG2 VAL 23 -8.093 3.491 -7.784 154 H CYS 24 HN CYS 24 -6.341 2.442 -2.956 155 HA CYS 24 HA CYS 24 -3.500 2.167 -3.155 156 1HB CYS 24 HB2 CYS 24 -5.402 2.592 -1.085 157 2HB CYS 24 HB1 CYS 24 -4.474 1.158 -0.659 158 H ASN 25 HN ASN 25 -2.300 0.379 -3.361 159 HA ASN 25 HA ASN 25 -3.256 -2.215 -2.620 160 1HB ASN 25 HB2 ASN 25 -3.675 -1.319 -5.297 161 2HB ASN 25 HB1 ASN 25 -2.489 -2.618 -5.311 162 1HD2 ASN 25 1HD2 ASN 25 -5.686 -1.950 -5.492 163 2HD2 ASN 25 2HD2 ASN 25 -6.334 -3.470 -4.987 164 H CYS 26 HN CYS 26 -1.575 -3.330 -1.905 165 HA CYS 26 HA CYS 26 1.086 -2.324 -2.207 166 1HB CYS 26 HB2 CYS 26 -0.240 -4.460 -0.658 167 2HB CYS 26 HB1 CYS 26 1.448 -4.755 -1.057 168 H ASN 27 HN ASN 27 2.914 -3.735 -2.864 169 HA ASN 27 HA ASN 27 2.293 -5.784 -4.821 170 1HB ASN 27 HB2 ASN 27 3.274 -3.081 -5.523 171 2HB ASN 27 HB1 ASN 27 4.065 -4.432 -6.330 172 1HD2 ASN 27 1HD2 ASN 27 2.942 -3.008 -8.071 173 2HD2 ASN 27 2HD2 ASN 27 1.389 -3.574 -8.574 174 H VAL 28 HN VAL 28 5.207 -3.855 -4.516 175 HA VAL 28 HA VAL 28 6.554 -5.898 -2.962 176 HB VAL 28 HB VAL 28 7.637 -5.179 -5.687 177 1HG1 VAL 28 1HG1 VAL 28 9.463 -6.410 -5.194 178 2HG1 VAL 28 2HG1 VAL 28 8.553 -7.572 -4.229 179 3HG1 VAL 28 3HG1 VAL 28 9.017 -6.019 -3.533 180 1HG2 VAL 28 1HG2 VAL 28 6.170 -7.656 -4.791 181 2HG2 VAL 28 2HG2 VAL 28 7.068 -7.519 -6.302 182 3HG2 VAL 28 3HG2 VAL 28 5.656 -6.501 -6.019 Start of MODEL 16 1 1H VAL 1 HT1 VAL 1 -10.546 6.306 0.017 2 2H VAL 1 HT2 VAL 1 -10.613 7.097 1.539 3 3H VAL 1 HT3 VAL 1 -10.927 5.414 1.430 4 HA VAL 1 HA VAL 1 -8.676 6.256 2.246 5 HB VAL 1 HB VAL 1 -7.576 4.287 1.121 6 1HG1 VAL 1 1HG1 VAL 1 -8.422 3.568 3.087 7 2HG1 VAL 1 2HG1 VAL 1 -9.544 2.701 2.038 8 3HG1 VAL 1 3HG1 VAL 1 -10.023 4.234 2.766 9 1HG2 VAL 1 1HG2 VAL 1 -10.192 3.429 0.042 10 2HG2 VAL 1 2HG2 VAL 1 -8.560 3.098 -0.539 11 3HG2 VAL 1 3HG2 VAL 1 -9.319 4.654 -0.879 12 H GLY 2 HN GLY 2 -6.457 6.408 1.371 13 1HA GLY 2 HA2 GLY 2 -6.262 7.406 -1.367 14 2HA GLY 2 HA1 GLY 2 -5.856 8.532 -0.081 15 H CYS 3 HN CYS 3 -3.743 8.719 0.177 16 HA CYS 3 HA CYS 3 -2.041 6.385 -0.364 17 1HB CYS 3 HB2 CYS 3 -1.830 8.839 -1.449 18 2HB CYS 3 HB1 CYS 3 -0.820 9.067 -0.026 19 H GLU 4 HN GLU 4 -3.169 8.438 2.134 20 HA GLU 4 HA GLU 4 -0.954 7.956 3.912 21 1HB GLU 4 HB2 GLU 4 -2.567 10.007 3.829 22 2HB GLU 4 HB1 GLU 4 -3.607 8.991 4.817 23 1HG GLU 4 HG2 GLU 4 -1.230 8.758 6.116 24 2HG GLU 4 HG1 GLU 4 -1.146 10.412 5.511 25 H GLU 5 HN GLU 5 -3.282 6.018 2.845 26 HA GLU 5 HA GLU 5 -3.580 4.595 5.396 27 1HB GLU 5 HB2 GLU 5 -5.371 4.797 2.996 28 2HB GLU 5 HB1 GLU 5 -5.500 3.428 4.091 29 1HG GLU 5 HG2 GLU 5 -5.479 6.039 5.414 30 2HG GLU 5 HG1 GLU 5 -6.854 5.766 4.344 31 H CYS 6 HN CYS 6 -2.480 4.406 2.119 32 HA CYS 6 HA CYS 6 -2.346 1.704 1.663 33 1HB CYS 6 HB2 CYS 6 -0.976 4.074 0.658 34 2HB CYS 6 HB1 CYS 6 -0.008 2.608 0.541 35 HA PRO 7 HA PRO 7 1.881 1.500 3.900 36 1HB PRO 7 HB2 PRO 7 2.669 3.649 5.349 37 2HB PRO 7 HB1 PRO 7 3.018 3.473 3.627 38 1HG PRO 7 HG2 PRO 7 0.969 5.146 4.984 39 2HG PRO 7 HG1 PRO 7 1.893 5.473 3.509 40 1HD PRO 7 HD2 PRO 7 -0.740 4.588 3.595 41 2HD PRO 7 HD1 PRO 7 0.326 4.458 2.190 42 H MET 8 HN MET 8 -0.346 0.551 4.901 43 HA MET 8 HA MET 8 0.141 0.141 7.611 44 1HB MET 8 HB2 MET 8 -0.621 2.448 7.922 45 2HB MET 8 HB1 MET 8 -2.120 2.080 7.080 46 1HG MET 8 HG2 MET 8 -2.587 0.386 8.875 47 2HG MET 8 HG1 MET 8 -1.207 1.048 9.749 48 1HE MET 8 HE1 MET 8 -1.113 3.838 10.273 49 2HE MET 8 HE2 MET 8 -2.497 4.869 9.909 50 3HE MET 8 HE3 MET 8 -1.610 4.090 8.600 51 H HIS 9 HN HIS 9 -2.282 0.309 5.066 52 HA HIS 9 HA HIS 9 -3.805 -1.891 6.180 53 1HB HIS 9 HB2 HIS 9 -4.175 0.111 4.057 54 2HB HIS 9 HB1 HIS 9 -4.833 -1.475 3.674 55 HD1 HIS 9 HD1 HIS 9 -5.989 -2.332 6.337 56 HD2 HIS 9 HD2 HIS 9 -6.340 1.528 4.840 57 HE1 HIS 9 HE1 HIS 9 -7.998 -1.346 7.486 58 HE2 HIS 9 HE2 HIS 9 -8.243 0.959 6.498 59 H CYS 10 HN CYS 10 -1.447 -2.958 5.913 60 HA CYS 10 HA CYS 10 -1.800 -5.043 4.032 61 1HB CYS 10 HB2 CYS 10 -0.268 -2.732 3.153 62 2HB CYS 10 HB1 CYS 10 0.694 -4.205 3.111 63 H LYS 11 HN LYS 11 1.327 -3.654 4.924 64 HA LYS 11 HA LYS 11 3.025 -4.425 6.219 65 1HB LYS 11 HB2 LYS 11 0.730 -5.536 7.838 66 2HB LYS 11 HB1 LYS 11 2.401 -5.485 8.381 67 1HG LYS 11 HG2 LYS 11 2.250 -2.958 7.957 68 2HG LYS 11 HG1 LYS 11 0.504 -3.215 7.925 69 1HD LYS 11 HD2 LYS 11 0.388 -3.554 10.149 70 2HD LYS 11 HD1 LYS 11 1.898 -4.466 10.189 71 1HE LYS 11 HE2 LYS 11 2.832 -1.994 9.634 72 2HE LYS 11 HE1 LYS 11 1.405 -1.588 10.588 73 1HZ LYS 11 HZ1 LYS 11 2.360 -3.382 12.182 74 2HZ LYS 11 HZ2 LYS 11 2.998 -1.816 12.200 75 3HZ LYS 11 HZ3 LYS 11 3.821 -3.054 11.394 76 H GLY 12 HN GLY 12 4.345 -5.921 5.448 77 1HA GLY 12 HA2 GLY 12 3.608 -8.728 5.650 78 2HA GLY 12 HA1 GLY 12 3.953 -8.121 4.038 79 H LYS 13 HN LYS 13 6.029 -7.906 3.391 80 HA LYS 13 HA LYS 13 8.206 -7.737 5.213 81 1HB LYS 13 HB2 LYS 13 7.738 -10.123 5.410 82 2HB LYS 13 HB1 LYS 13 7.808 -10.293 3.662 83 1HG LYS 13 HG2 LYS 13 9.927 -10.903 3.995 84 2HG LYS 13 HG1 LYS 13 10.239 -9.181 4.218 85 1HD LYS 13 HD2 LYS 13 9.289 -10.673 6.589 86 2HD LYS 13 HD1 LYS 13 10.918 -11.046 6.023 87 1HE LYS 13 HE2 LYS 13 10.103 -8.194 6.314 88 2HE LYS 13 HE1 LYS 13 10.492 -9.120 7.762 89 1HZ LYS 13 HZ1 LYS 13 12.561 -8.421 7.279 90 2HZ LYS 13 HZ2 LYS 13 12.236 -8.185 5.636 91 3HZ LYS 13 HZ3 LYS 13 12.562 -9.739 6.218 92 H ASN 14 HN ASN 14 7.514 -8.922 1.935 93 HA ASN 14 HA ASN 14 9.443 -6.986 0.927 94 1HB ASN 14 HB2 ASN 14 10.041 -8.511 -0.832 95 2HB ASN 14 HB1 ASN 14 10.132 -9.397 0.687 96 1HD2 ASN 14 1HD2 ASN 14 9.173 -9.627 -2.407 97 2HD2 ASN 14 2HD2 ASN 14 7.937 -10.824 -2.256 98 H ALA 15 HN ALA 15 6.673 -6.613 1.493 99 HA ALA 15 HA ALA 15 5.664 -6.154 -1.228 100 1HB ALA 15 HB1 ALA 15 4.362 -7.366 1.108 101 2HB ALA 15 HB2 ALA 15 4.048 -7.591 -0.613 102 3HB ALA 15 HB3 ALA 15 3.388 -6.188 0.227 103 H LYS 16 HN LYS 16 6.108 -4.033 -1.542 104 HA LYS 16 HA LYS 16 5.583 -2.129 0.598 105 1HB LYS 16 HB2 LYS 16 7.665 -1.802 -0.528 106 2HB LYS 16 HB1 LYS 16 6.888 -1.834 -2.103 107 1HG LYS 16 HG2 LYS 16 5.755 0.267 -1.589 108 2HG LYS 16 HG1 LYS 16 6.526 0.293 -0.001 109 1HD LYS 16 HD2 LYS 16 8.087 1.538 -1.036 110 2HD LYS 16 HD1 LYS 16 8.680 -0.016 -1.625 111 1HE LYS 16 HE2 LYS 16 6.517 1.209 -3.206 112 2HE LYS 16 HE1 LYS 16 8.053 2.073 -3.221 113 1HZ LYS 16 HZ1 LYS 16 9.127 0.329 -4.229 114 2HZ LYS 16 HZ2 LYS 16 7.602 0.222 -4.951 115 3HZ LYS 16 HZ3 LYS 16 8.016 -0.830 -3.694 116 HA PRO 17 HA PRO 17 1.640 -1.120 -1.190 117 1HB PRO 17 HB2 PRO 17 0.980 0.905 0.442 118 2HB PRO 17 HB1 PRO 17 1.015 -0.770 1.004 119 1HG PRO 17 HG2 PRO 17 3.045 1.397 1.374 120 2HG PRO 17 HG1 PRO 17 2.471 0.190 2.539 121 1HD PRO 17 HD2 PRO 17 4.822 -0.029 1.134 122 2HD PRO 17 HD1 PRO 17 3.910 -1.413 1.767 123 H THR 18 HN THR 18 0.807 0.313 -2.649 124 HA THR 18 HA THR 18 2.118 2.881 -3.044 125 HB THR 18 HB THR 18 3.057 0.887 -4.513 126 HG1 THR 18 HG1 THR 18 2.533 3.539 -5.334 127 1HG2 THR 18 1HG2 THR 18 0.909 0.315 -5.525 128 2HG2 THR 18 2HG2 THR 18 2.088 0.857 -6.720 129 3HG2 THR 18 3HG2 THR 18 0.805 1.944 -6.187 130 H CYS 19 HN CYS 19 0.677 4.441 -3.409 131 HA CYS 19 HA CYS 19 -2.086 3.678 -3.867 132 1HB CYS 19 HB2 CYS 19 -2.657 5.915 -3.211 133 2HB CYS 19 HB1 CYS 19 -1.455 5.302 -2.080 134 H ASP 20 HN ASP 20 -3.348 4.395 -5.570 135 HA ASP 20 HA ASP 20 -1.982 5.726 -7.772 136 1HB ASP 20 HB2 ASP 20 -2.303 3.124 -7.898 137 2HB ASP 20 HB1 ASP 20 -3.953 3.557 -8.324 138 H ASP 21 HN ASP 21 -3.026 7.671 -7.524 139 HA ASP 21 HA ASP 21 -4.706 9.212 -7.526 140 1HB ASP 21 HB2 ASP 21 -5.642 7.154 -9.507 141 2HB ASP 21 HB1 ASP 21 -6.601 8.594 -9.179 142 H GLY 22 HN GLY 22 -4.925 8.066 -5.209 143 1HA GLY 22 HA2 GLY 22 -6.495 8.026 -3.520 144 2HA GLY 22 HA1 GLY 22 -7.740 7.970 -4.744 145 H VAL 23 HN VAL 23 -5.862 5.629 -5.808 146 HA VAL 23 HA VAL 23 -7.358 3.565 -4.375 147 HB VAL 23 HB VAL 23 -5.582 3.209 -6.790 148 1HG1 VAL 23 1HG1 VAL 23 -7.683 1.502 -5.475 149 2HG1 VAL 23 2HG1 VAL 23 -5.977 1.130 -5.724 150 3HG1 VAL 23 3HG1 VAL 23 -7.075 1.200 -7.103 151 1HG2 VAL 23 1HG2 VAL 23 -7.623 3.291 -8.139 152 2HG2 VAL 23 2HG2 VAL 23 -7.335 4.822 -7.311 153 3HG2 VAL 23 3HG2 VAL 23 -8.557 3.705 -6.702 154 H CYS 24 HN CYS 24 -6.266 1.599 -3.708 155 HA CYS 24 HA CYS 24 -3.447 2.044 -2.982 156 1HB CYS 24 HB2 CYS 24 -5.751 1.506 -1.254 157 2HB CYS 24 HB1 CYS 24 -4.396 0.417 -0.973 158 H ASN 25 HN ASN 25 -2.072 0.355 -3.228 159 HA ASN 25 HA ASN 25 -2.995 -2.336 -3.540 160 1HB ASN 25 HB2 ASN 25 -2.751 -0.695 -5.862 161 2HB ASN 25 HB1 ASN 25 -1.516 -1.946 -5.916 162 1HD2 ASN 25 1HD2 ASN 25 -4.706 -1.201 -6.543 163 2HD2 ASN 25 2HD2 ASN 25 -5.312 -2.803 -6.774 164 H CYS 26 HN CYS 26 -1.498 -3.623 -2.735 165 HA CYS 26 HA CYS 26 1.229 -2.602 -2.417 166 1HB CYS 26 HB2 CYS 26 -0.088 -4.985 -1.097 167 2HB CYS 26 HB1 CYS 26 1.497 -4.327 -0.708 168 H ASN 27 HN ASN 27 3.051 -3.895 -2.948 169 HA ASN 27 HA ASN 27 2.625 -6.328 -4.461 170 1HB ASN 27 HB2 ASN 27 3.701 -3.809 -5.707 171 2HB ASN 27 HB1 ASN 27 4.037 -5.403 -6.375 172 1HD2 ASN 27 1HD2 ASN 27 1.601 -3.001 -5.769 173 2HD2 ASN 27 2HD2 ASN 27 0.400 -3.662 -6.819 174 H VAL 28 HN VAL 28 5.391 -4.200 -4.725 175 HA VAL 28 HA VAL 28 6.902 -5.797 -2.810 176 HB VAL 28 HB VAL 28 7.932 -5.395 -5.618 177 1HG1 VAL 28 1HG1 VAL 28 8.937 -7.106 -3.346 178 2HG1 VAL 28 2HG1 VAL 28 9.641 -5.576 -3.870 179 3HG1 VAL 28 3HG1 VAL 28 9.661 -6.972 -4.948 180 1HG2 VAL 28 1HG2 VAL 28 6.193 -6.926 -5.923 181 2HG2 VAL 28 2HG2 VAL 28 6.490 -7.714 -4.374 182 3HG2 VAL 28 3HG2 VAL 28 7.619 -7.942 -5.710 Start of MODEL 17 1 1H VAL 1 HT1 VAL 1 -8.715 5.460 6.529 2 2H VAL 1 HT2 VAL 1 -9.529 5.818 5.062 3 3H VAL 1 HT3 VAL 1 -8.259 6.834 5.611 4 HA VAL 1 HA VAL 1 -6.664 5.193 5.261 5 HB VAL 1 HB VAL 1 -7.371 3.002 4.212 6 1HG1 VAL 1 1HG1 VAL 1 -6.598 3.116 6.505 7 2HG1 VAL 1 2HG1 VAL 1 -7.925 1.961 6.373 8 3HG1 VAL 1 3HG1 VAL 1 -8.214 3.562 7.053 9 1HG2 VAL 1 1HG2 VAL 1 -9.815 4.122 4.000 10 2HG2 VAL 1 2HG2 VAL 1 -10.015 3.206 5.493 11 3HG2 VAL 1 3HG2 VAL 1 -9.530 2.382 4.011 12 H GLY 2 HN GLY 2 -5.603 5.600 3.429 13 1HA GLY 2 HA2 GLY 2 -7.061 5.671 0.894 14 2HA GLY 2 HA1 GLY 2 -6.248 7.146 1.397 15 H CYS 3 HN CYS 3 -4.149 7.395 0.916 16 HA CYS 3 HA CYS 3 -2.753 5.073 -0.237 17 1HB CYS 3 HB2 CYS 3 -3.082 7.807 -1.133 18 2HB CYS 3 HB1 CYS 3 -1.377 7.397 -0.992 19 H GLU 4 HN GLU 4 -2.541 7.709 2.048 20 HA GLU 4 HA GLU 4 0.209 7.082 2.727 21 1HB GLU 4 HB2 GLU 4 -1.745 9.137 3.722 22 2HB GLU 4 HB1 GLU 4 -0.163 8.912 4.454 23 1HG GLU 4 HG2 GLU 4 -0.258 9.303 1.521 24 2HG GLU 4 HG1 GLU 4 -0.619 10.695 2.541 25 H GLU 5 HN GLU 5 -2.561 5.637 3.394 26 HA GLU 5 HA GLU 5 -1.837 4.990 6.164 27 1HB GLU 5 HB2 GLU 5 -4.526 4.695 4.829 28 2HB GLU 5 HB1 GLU 5 -4.164 4.334 6.510 29 1HG GLU 5 HG2 GLU 5 -3.318 6.928 6.258 30 2HG GLU 5 HG1 GLU 5 -4.744 6.878 5.222 31 H CYS 6 HN CYS 6 -1.518 3.802 3.129 32 HA CYS 6 HA CYS 6 -2.328 1.119 3.459 33 1HB CYS 6 HB2 CYS 6 -0.246 2.168 1.560 34 2HB CYS 6 HB1 CYS 6 -1.182 0.686 1.389 35 HA PRO 7 HA PRO 7 2.532 0.630 4.337 36 1HB PRO 7 HB2 PRO 7 2.613 3.012 6.121 37 2HB PRO 7 HB1 PRO 7 3.859 2.370 5.045 38 1HG PRO 7 HG2 PRO 7 2.466 4.565 4.407 39 2HG PRO 7 HG1 PRO 7 2.960 3.388 3.176 40 1HD PRO 7 HD2 PRO 7 0.271 3.853 4.378 41 2HD PRO 7 HD1 PRO 7 0.700 3.324 2.744 42 H MET 8 HN MET 8 -0.071 1.795 6.351 43 HA MET 8 HA MET 8 0.834 0.100 8.570 44 1HB MET 8 HB2 MET 8 -1.021 2.460 8.421 45 2HB MET 8 HB1 MET 8 -1.053 1.367 9.798 46 1HG MET 8 HG2 MET 8 0.345 3.091 10.474 47 2HG MET 8 HG1 MET 8 1.453 1.812 9.983 48 1HE MET 8 HE1 MET 8 -0.051 5.311 9.170 49 2HE MET 8 HE2 MET 8 -0.659 4.359 7.815 50 3HE MET 8 HE3 MET 8 0.547 5.616 7.539 51 H HIS 9 HN HIS 9 -1.871 0.673 6.373 52 HA HIS 9 HA HIS 9 -3.384 -1.477 7.612 53 1HB HIS 9 HB2 HIS 9 -5.249 -0.750 6.399 54 2HB HIS 9 HB1 HIS 9 -4.402 0.728 6.806 55 HD1 HIS 9 HD1 HIS 9 -4.134 -1.643 3.809 56 HD2 HIS 9 HD2 HIS 9 -4.680 2.370 4.719 57 HE1 HIS 9 HE1 HIS 9 -4.285 -0.469 1.594 58 HE2 HIS 9 HE2 HIS 9 -4.719 1.945 2.169 59 H CYS 10 HN CYS 10 -0.830 -1.785 5.928 60 HA CYS 10 HA CYS 10 -1.784 -4.130 4.510 61 1HB CYS 10 HB2 CYS 10 -1.568 -1.871 3.034 62 2HB CYS 10 HB1 CYS 10 0.070 -2.499 2.885 63 H LYS 11 HN LYS 11 -0.601 -5.291 6.057 64 HA LYS 11 HA LYS 11 2.113 -4.841 6.668 65 1HB LYS 11 HB2 LYS 11 0.339 -7.264 6.895 66 2HB LYS 11 HB1 LYS 11 2.028 -7.302 7.381 67 1HG LYS 11 HG2 LYS 11 1.058 -6.814 9.378 68 2HG LYS 11 HG1 LYS 11 1.325 -5.179 8.771 69 1HD LYS 11 HD2 LYS 11 -0.927 -4.913 8.174 70 2HD LYS 11 HD1 LYS 11 -1.243 -6.647 8.258 71 1HE LYS 11 HE2 LYS 11 -1.348 -6.652 10.561 72 2HE LYS 11 HE1 LYS 11 -0.362 -5.198 10.713 73 1HZ LYS 11 HZ1 LYS 11 -2.451 -4.424 11.214 74 2HZ LYS 11 HZ2 LYS 11 -3.229 -5.438 10.106 75 3HZ LYS 11 HZ3 LYS 11 -2.376 -4.085 9.557 76 H GLY 12 HN GLY 12 3.907 -6.370 6.139 77 1HA GLY 12 HA2 GLY 12 4.356 -8.197 4.371 78 2HA GLY 12 HA1 GLY 12 3.832 -6.941 3.260 79 H LYS 13 HN LYS 13 6.419 -8.252 4.995 80 HA LYS 13 HA LYS 13 8.153 -6.084 5.280 81 1HB LYS 13 HB2 LYS 13 8.713 -9.003 4.756 82 2HB LYS 13 HB1 LYS 13 9.970 -7.830 5.125 83 1HG LYS 13 HG2 LYS 13 8.458 -7.346 7.216 84 2HG LYS 13 HG1 LYS 13 7.866 -8.975 6.885 85 1HD LYS 13 HD2 LYS 13 9.628 -9.318 8.376 86 2HD LYS 13 HD1 LYS 13 10.348 -9.638 6.797 87 1HE LYS 13 HE2 LYS 13 11.950 -8.226 7.496 88 2HE LYS 13 HE1 LYS 13 10.794 -6.975 7.040 89 1HZ LYS 13 HZ1 LYS 13 11.022 -8.137 9.763 90 2HZ LYS 13 HZ2 LYS 13 10.040 -6.841 9.297 91 3HZ LYS 13 HZ3 LYS 13 11.723 -6.673 9.284 92 H ASN 14 HN ASN 14 7.098 -7.751 2.471 93 HA ASN 14 HA ASN 14 8.929 -6.162 0.853 94 1HB ASN 14 HB2 ASN 14 8.990 -8.950 1.041 95 2HB ASN 14 HB1 ASN 14 8.162 -8.621 -0.478 96 1HD2 ASN 14 1HD2 ASN 14 11.095 -9.114 0.907 97 2HD2 ASN 14 2HD2 ASN 14 12.106 -8.370 -0.280 98 H ALA 15 HN ALA 15 6.302 -5.523 1.664 99 HA ALA 15 HA ALA 15 4.884 -5.648 -0.907 100 1HB ALA 15 HB1 ALA 15 3.932 -6.782 1.306 101 2HB ALA 15 HB2 ALA 15 2.885 -6.026 0.105 102 3HB ALA 15 HB3 ALA 15 3.334 -5.142 1.564 103 H LYS 16 HN LYS 16 5.391 -3.712 -1.812 104 HA LYS 16 HA LYS 16 5.320 -1.323 -0.151 105 1HB LYS 16 HB2 LYS 16 7.223 -1.410 -1.542 106 2HB LYS 16 HB1 LYS 16 6.272 -1.828 -2.959 107 1HG LYS 16 HG2 LYS 16 5.189 0.490 -2.639 108 2HG LYS 16 HG1 LYS 16 6.575 0.820 -1.598 109 1HD LYS 16 HD2 LYS 16 7.331 1.578 -3.643 110 2HD LYS 16 HD1 LYS 16 7.954 -0.073 -3.622 111 1HE LYS 16 HE2 LYS 16 6.350 -0.828 -5.128 112 2HE LYS 16 HE1 LYS 16 5.274 0.531 -4.811 113 1HZ LYS 16 HZ1 LYS 16 7.377 1.814 -5.782 114 2HZ LYS 16 HZ2 LYS 16 6.123 1.239 -6.759 115 3HZ LYS 16 HZ3 LYS 16 7.552 0.348 -6.608 116 HA PRO 17 HA PRO 17 1.215 -0.384 -1.577 117 1HB PRO 17 HB2 PRO 17 1.461 2.223 -0.357 118 2HB PRO 17 HB1 PRO 17 0.534 0.830 0.201 119 1HG PRO 17 HG2 PRO 17 2.748 1.814 1.484 120 2HG PRO 17 HG1 PRO 17 2.189 0.138 1.609 121 1HD PRO 17 HD2 PRO 17 4.404 1.281 -0.045 122 2HD PRO 17 HD1 PRO 17 4.324 -0.265 0.826 123 H THR 18 HN THR 18 0.679 0.290 -3.547 124 HA THR 18 HA THR 18 2.148 2.538 -4.731 125 HB THR 18 HB THR 18 0.764 1.275 -6.754 126 HG1 THR 18 HG1 THR 18 0.438 -0.649 -5.958 127 1HG2 THR 18 1HG2 THR 18 2.835 0.746 -7.672 128 2HG2 THR 18 2HG2 THR 18 3.599 0.628 -6.086 129 3HG2 THR 18 3HG2 THR 18 3.112 2.202 -6.718 130 H CYS 19 HN CYS 19 1.029 4.131 -5.887 131 HA CYS 19 HA CYS 19 -1.822 4.304 -5.189 132 1HB CYS 19 HB2 CYS 19 0.251 6.458 -5.600 133 2HB CYS 19 HB1 CYS 19 -1.473 6.794 -5.468 134 H ASP 20 HN ASP 20 -3.200 4.132 -6.825 135 HA ASP 20 HA ASP 20 -2.370 5.020 -9.479 136 1HB ASP 20 HB2 ASP 20 -2.496 2.443 -8.986 137 2HB ASP 20 HB1 ASP 20 -4.227 2.705 -9.167 138 H ASP 21 HN ASP 21 -3.519 6.885 -9.618 139 HA ASP 21 HA ASP 21 -5.291 8.318 -9.678 140 1HB ASP 21 HB2 ASP 21 -6.355 5.736 -10.731 141 2HB ASP 21 HB1 ASP 21 -7.497 7.041 -10.425 142 H GLY 22 HN GLY 22 -4.762 7.816 -7.147 143 1HA GLY 22 HA2 GLY 22 -5.654 7.998 -5.059 144 2HA GLY 22 HA1 GLY 22 -7.208 8.200 -5.839 145 H VAL 23 HN VAL 23 -5.614 5.342 -6.745 146 HA VAL 23 HA VAL 23 -7.274 3.797 -4.862 147 HB VAL 23 HB VAL 23 -6.344 2.919 -7.597 148 1HG1 VAL 23 1HG1 VAL 23 -6.725 0.985 -6.357 149 2HG1 VAL 23 2HG1 VAL 23 -8.259 1.246 -7.187 150 3HG1 VAL 23 3HG1 VAL 23 -8.088 1.693 -5.490 151 1HG2 VAL 23 1HG2 VAL 23 -8.018 4.864 -7.484 152 2HG2 VAL 23 2HG2 VAL 23 -9.164 3.660 -6.896 153 3HG2 VAL 23 3HG2 VAL 23 -8.428 3.474 -8.488 154 H CYS 24 HN CYS 24 -5.916 3.199 -3.266 155 HA CYS 24 HA CYS 24 -3.160 2.669 -3.610 156 1HB CYS 24 HB2 CYS 24 -4.107 3.335 -1.446 157 2HB CYS 24 HB1 CYS 24 -5.017 1.831 -1.369 158 H ASN 25 HN ASN 25 -2.029 0.704 -3.541 159 HA ASN 25 HA ASN 25 -3.402 -1.808 -3.631 160 1HB ASN 25 HB2 ASN 25 -2.871 -0.433 -6.086 161 2HB ASN 25 HB1 ASN 25 -1.918 -1.910 -6.019 162 1HD2 ASN 25 1HD2 ASN 25 -5.193 -0.667 -5.574 163 2HD2 ASN 25 2HD2 ASN 25 -5.999 -2.094 -6.120 164 H CYS 26 HN CYS 26 -2.128 -3.214 -2.649 165 HA CYS 26 HA CYS 26 0.710 -2.599 -2.366 166 1HB CYS 26 HB2 CYS 26 -0.711 -4.877 -1.011 167 2HB CYS 26 HB1 CYS 26 0.724 -4.006 -0.482 168 H ASN 27 HN ASN 27 2.325 -3.782 -3.216 169 HA ASN 27 HA ASN 27 1.719 -6.369 -4.429 170 1HB ASN 27 HB2 ASN 27 2.891 -4.003 -5.876 171 2HB ASN 27 HB1 ASN 27 3.093 -5.655 -6.452 172 1HD2 ASN 27 1HD2 ASN 27 1.502 -3.074 -7.200 173 2HD2 ASN 27 2HD2 ASN 27 -0.037 -3.710 -7.657 174 H VAL 28 HN VAL 28 4.549 -4.334 -4.826 175 HA VAL 28 HA VAL 28 6.070 -5.858 -2.884 176 HB VAL 28 HB VAL 28 6.985 -5.822 -5.759 177 1HG1 VAL 28 1HG1 VAL 28 8.491 -6.060 -3.532 178 2HG1 VAL 28 2HG1 VAL 28 8.886 -6.820 -5.074 179 3HG1 VAL 28 3HG1 VAL 28 8.071 -7.749 -3.816 180 1HG2 VAL 28 1HG2 VAL 28 5.677 -8.040 -4.190 181 2HG2 VAL 28 2HG2 VAL 28 6.483 -8.252 -5.744 182 3HG2 VAL 28 3HG2 VAL 28 5.043 -7.240 -5.628 Start of MODEL 18 1 1H VAL 1 HT1 VAL 1 -11.039 4.222 0.409 2 2H VAL 1 HT2 VAL 1 -10.301 5.466 -0.516 3 3H VAL 1 HT3 VAL 1 -11.225 5.861 0.876 4 HA VAL 1 HA VAL 1 -9.660 5.177 2.309 5 HB VAL 1 HB VAL 1 -7.733 3.724 1.604 6 1HG1 VAL 1 1HG1 VAL 1 -8.929 1.704 1.870 7 2HG1 VAL 1 2HG1 VAL 1 -10.388 2.385 1.151 8 3HG1 VAL 1 3HG1 VAL 1 -9.851 2.930 2.740 9 1HG2 VAL 1 1HG2 VAL 1 -7.512 3.796 -0.671 10 2HG2 VAL 1 2HG2 VAL 1 -9.253 3.818 -0.951 11 3HG2 VAL 1 3HG2 VAL 1 -8.450 2.312 -0.509 12 H GLY 2 HN GLY 2 -7.286 5.736 2.547 13 1HA GLY 2 HA2 GLY 2 -6.638 7.919 0.663 14 2HA GLY 2 HA1 GLY 2 -6.267 7.961 2.380 15 H CYS 3 HN CYS 3 -4.320 8.462 0.496 16 HA CYS 3 HA CYS 3 -2.809 6.136 -0.147 17 1HB CYS 3 HB2 CYS 3 -2.304 9.088 -0.234 18 2HB CYS 3 HB1 CYS 3 -0.964 7.970 -0.451 19 H GLU 4 HN GLU 4 -3.131 8.059 2.684 20 HA GLU 4 HA GLU 4 -0.575 7.283 3.790 21 1HB GLU 4 HB2 GLU 4 -2.895 8.877 4.833 22 2HB GLU 4 HB1 GLU 4 -1.543 8.430 5.864 23 1HG GLU 4 HG2 GLU 4 -0.755 9.670 3.337 24 2HG GLU 4 HG1 GLU 4 -1.715 10.711 4.387 25 H GLU 5 HN GLU 5 -3.273 5.631 3.302 26 HA GLU 5 HA GLU 5 -3.017 4.084 5.785 27 1HB GLU 5 HB2 GLU 5 -5.443 4.496 4.041 28 2HB GLU 5 HB1 GLU 5 -5.368 3.329 5.353 29 1HG GLU 5 HG2 GLU 5 -4.581 5.582 6.628 30 2HG GLU 5 HG1 GLU 5 -5.690 6.242 5.428 31 H CYS 6 HN CYS 6 -1.774 3.955 2.944 32 HA CYS 6 HA CYS 6 -2.659 1.410 1.977 33 1HB CYS 6 HB2 CYS 6 -0.627 3.406 1.118 34 2HB CYS 6 HB1 CYS 6 -0.506 1.761 0.505 35 HA PRO 7 HA PRO 7 1.568 0.022 3.726 36 1HB PRO 7 HB2 PRO 7 2.860 1.673 5.430 37 2HB PRO 7 HB1 PRO 7 3.047 1.779 3.677 38 1HG PRO 7 HG2 PRO 7 1.482 3.502 5.523 39 2HG PRO 7 HG1 PRO 7 2.330 3.931 4.028 40 1HD PRO 7 HD2 PRO 7 -0.420 3.505 4.287 41 2HD PRO 7 HD1 PRO 7 0.476 3.528 2.762 42 H MET 8 HN MET 8 -0.577 1.864 5.792 43 HA MET 8 HA MET 8 0.005 0.405 8.183 44 1HB MET 8 HB2 MET 8 -1.214 2.763 7.724 45 2HB MET 8 HB1 MET 8 -2.630 1.734 7.883 46 1HG MET 8 HG2 MET 8 -1.663 0.936 10.065 47 2HG MET 8 HG1 MET 8 -0.469 2.223 9.909 48 1HE MET 8 HE1 MET 8 -3.052 5.301 9.617 49 2HE MET 8 HE2 MET 8 -2.387 4.284 8.338 50 3HE MET 8 HE3 MET 8 -1.331 4.915 9.602 51 H HIS 9 HN HIS 9 -2.146 0.018 5.482 52 HA HIS 9 HA HIS 9 -3.729 -2.033 6.783 53 1HB HIS 9 HB2 HIS 9 -3.871 -0.476 4.290 54 2HB HIS 9 HB1 HIS 9 -4.411 -2.143 4.132 55 HD1 HIS 9 HD1 HIS 9 -5.897 -2.563 6.738 56 HD2 HIS 9 HD2 HIS 9 -6.175 0.923 4.496 57 HE1 HIS 9 HE1 HIS 9 -8.081 -1.508 7.404 58 HE2 HIS 9 HE2 HIS 9 -8.187 0.643 6.097 59 H CYS 10 HN CYS 10 -1.541 -1.847 3.976 60 HA CYS 10 HA CYS 10 -1.431 -4.693 3.669 61 1HB CYS 10 HB2 CYS 10 -0.465 -2.355 2.245 62 2HB CYS 10 HB1 CYS 10 0.763 -3.614 2.320 63 H LYS 11 HN LYS 11 1.018 -5.536 3.372 64 HA LYS 11 HA LYS 11 2.138 -5.384 6.052 65 1HB LYS 11 HB2 LYS 11 3.551 -7.279 5.310 66 2HB LYS 11 HB1 LYS 11 1.832 -7.595 5.119 67 1HG LYS 11 HG2 LYS 11 2.642 -6.483 2.693 68 2HG LYS 11 HG1 LYS 11 3.928 -7.601 3.150 69 1HD LYS 11 HD2 LYS 11 2.525 -9.035 2.045 70 2HD LYS 11 HD1 LYS 11 1.892 -9.189 3.685 71 1HE LYS 11 HE2 LYS 11 -0.030 -8.082 3.195 72 2HE LYS 11 HE1 LYS 11 0.748 -7.036 2.007 73 1HZ LYS 11 HZ1 LYS 11 0.517 -9.876 1.359 74 2HZ LYS 11 HZ2 LYS 11 0.423 -8.525 0.346 75 3HZ LYS 11 HZ3 LYS 11 -0.900 -8.951 1.310 76 H GLY 12 HN GLY 12 4.519 -5.252 6.318 77 1HA GLY 12 HA2 GLY 12 5.782 -3.588 4.237 78 2HA GLY 12 HA1 GLY 12 5.805 -3.083 5.920 79 H LYS 13 HN LYS 13 6.497 -6.086 4.120 80 HA LYS 13 HA LYS 13 9.226 -6.059 4.936 81 1HB LYS 13 HB2 LYS 13 7.304 -7.386 6.597 82 2HB LYS 13 HB1 LYS 13 8.394 -8.578 5.903 83 1HG LYS 13 HG2 LYS 13 10.310 -7.305 6.758 84 2HG LYS 13 HG1 LYS 13 9.197 -6.144 7.484 85 1HD LYS 13 HD2 LYS 13 9.725 -7.573 9.250 86 2HD LYS 13 HD1 LYS 13 8.175 -8.186 8.672 87 1HE LYS 13 HE2 LYS 13 9.891 -9.608 7.134 88 2HE LYS 13 HE1 LYS 13 10.848 -9.415 8.602 89 1HZ LYS 13 HZ1 LYS 13 9.510 -11.430 8.657 90 2HZ LYS 13 HZ2 LYS 13 8.095 -10.522 8.479 91 3HZ LYS 13 HZ3 LYS 13 9.033 -10.358 9.876 92 H ASN 14 HN ASN 14 6.559 -7.662 3.386 93 HA ASN 14 HA ASN 14 8.412 -8.762 1.453 94 1HB ASN 14 HB2 ASN 14 7.308 -10.428 3.287 95 2HB ASN 14 HB1 ASN 14 6.060 -10.458 2.045 96 1HD2 ASN 14 1HD2 ASN 14 7.245 -10.492 -0.264 97 2HD2 ASN 14 2HD2 ASN 14 8.353 -11.807 -0.426 98 H ALA 15 HN ALA 15 6.723 -6.444 1.599 99 HA ALA 15 HA ALA 15 5.595 -6.533 -0.965 100 1HB ALA 15 HB1 ALA 15 3.405 -6.968 -0.705 101 2HB ALA 15 HB2 ALA 15 3.322 -6.135 0.847 102 3HB ALA 15 HB3 ALA 15 3.934 -7.787 0.765 103 H LYS 16 HN LYS 16 5.575 -4.512 -1.724 104 HA LYS 16 HA LYS 16 5.671 -2.323 0.228 105 1HB LYS 16 HB2 LYS 16 7.628 -2.280 -1.078 106 2HB LYS 16 HB1 LYS 16 6.749 -2.601 -2.566 107 1HG LYS 16 HG2 LYS 16 6.203 -0.428 -2.870 108 2HG LYS 16 HG1 LYS 16 6.062 -0.107 -1.140 109 1HD LYS 16 HD2 LYS 16 8.229 0.493 -0.947 110 2HD LYS 16 HD1 LYS 16 8.777 -0.738 -2.086 111 1HE LYS 16 HE2 LYS 16 7.604 0.789 -3.851 112 2HE LYS 16 HE1 LYS 16 7.784 2.030 -2.611 113 1HZ LYS 16 HZ1 LYS 16 9.739 2.281 -3.714 114 2HZ LYS 16 HZ2 LYS 16 9.837 0.658 -4.180 115 3HZ LYS 16 HZ3 LYS 16 10.229 1.108 -2.598 116 HA PRO 17 HA PRO 17 1.687 -1.119 -1.359 117 1HB PRO 17 HB2 PRO 17 1.244 0.948 0.269 118 2HB PRO 17 HB1 PRO 17 1.266 -0.710 0.880 119 1HG PRO 17 HG2 PRO 17 3.373 1.402 1.046 120 2HG PRO 17 HG1 PRO 17 2.880 0.214 2.264 121 1HD PRO 17 HD2 PRO 17 5.085 -0.031 0.592 122 2HD PRO 17 HD1 PRO 17 4.289 -1.373 1.436 123 H THR 18 HN THR 18 0.837 0.368 -2.761 124 HA THR 18 HA THR 18 2.129 2.901 -3.222 125 HB THR 18 HB THR 18 3.256 0.934 -4.594 126 HG1 THR 18 HG1 THR 18 3.660 3.266 -4.653 127 1HG2 THR 18 1HG2 THR 18 2.433 0.833 -6.860 128 2HG2 THR 18 2HG2 THR 18 1.064 1.855 -6.421 129 3HG2 THR 18 3HG2 THR 18 1.213 0.240 -5.733 130 H CYS 19 HN CYS 19 0.628 4.379 -3.708 131 HA CYS 19 HA CYS 19 -1.990 3.395 -4.607 132 1HB CYS 19 HB2 CYS 19 -2.958 5.376 -3.613 133 2HB CYS 19 HB1 CYS 19 -1.954 4.553 -2.424 134 H ASP 20 HN ASP 20 -3.171 4.596 -6.150 135 HA ASP 20 HA ASP 20 -1.640 6.450 -7.790 136 1HB ASP 20 HB2 ASP 20 -1.797 3.947 -8.579 137 2HB ASP 20 HB1 ASP 20 -3.407 4.432 -9.090 138 H ASP 21 HN ASP 21 -2.770 8.299 -7.613 139 HA ASP 21 HA ASP 21 -4.523 9.756 -7.453 140 1HB ASP 21 HB2 ASP 21 -5.169 7.921 -9.709 141 2HB ASP 21 HB1 ASP 21 -6.430 9.027 -9.173 142 H GLY 22 HN GLY 22 -4.642 8.235 -5.306 143 1HA GLY 22 HA2 GLY 22 -6.098 7.763 -3.606 144 2HA GLY 22 HA1 GLY 22 -7.405 8.143 -4.704 145 H VAL 23 HN VAL 23 -5.236 5.853 -5.955 146 HA VAL 23 HA VAL 23 -7.115 3.687 -5.284 147 HB VAL 23 HB VAL 23 -5.242 3.811 -7.650 148 1HG1 VAL 23 1HG1 VAL 23 -5.645 1.589 -7.526 149 2HG1 VAL 23 2HG1 VAL 23 -7.145 2.046 -8.333 150 3HG1 VAL 23 3HG1 VAL 23 -7.123 1.798 -6.587 151 1HG2 VAL 23 1HG2 VAL 23 -8.225 4.219 -7.683 152 2HG2 VAL 23 2HG2 VAL 23 -7.089 4.419 -9.017 153 3HG2 VAL 23 3HG2 VAL 23 -7.063 5.546 -7.660 154 H CYS 24 HN CYS 24 -6.217 2.779 -3.493 155 HA CYS 24 HA CYS 24 -3.424 2.424 -3.121 156 1HB CYS 24 HB2 CYS 24 -5.290 2.522 -1.344 157 2HB CYS 24 HB1 CYS 24 -5.540 0.818 -1.708 158 H ASN 25 HN ASN 25 -2.111 0.720 -3.531 159 HA ASN 25 HA ASN 25 -3.125 -1.866 -4.219 160 1HB ASN 25 HB2 ASN 25 -1.952 -1.845 -6.490 161 2HB ASN 25 HB1 ASN 25 -3.488 -0.992 -6.382 162 1HD2 ASN 25 1HD2 ASN 25 -0.351 -0.805 -7.416 163 2HD2 ASN 25 2HD2 ASN 25 -0.225 0.907 -7.607 164 H CYS 26 HN CYS 26 -1.734 -3.310 -3.508 165 HA CYS 26 HA CYS 26 1.034 -2.477 -2.990 166 1HB CYS 26 HB2 CYS 26 -0.308 -4.936 -1.874 167 2HB CYS 26 HB1 CYS 26 1.125 -4.111 -1.272 168 H ASN 27 HN ASN 27 2.775 -3.918 -3.498 169 HA ASN 27 HA ASN 27 2.105 -5.920 -5.547 170 1HB ASN 27 HB2 ASN 27 4.112 -3.712 -5.624 171 2HB ASN 27 HB1 ASN 27 4.470 -5.215 -6.469 172 1HD2 ASN 27 1HD2 ASN 27 4.446 -3.869 -8.375 173 2HD2 ASN 27 2HD2 ASN 27 2.939 -3.505 -9.139 174 H VAL 28 HN VAL 28 5.358 -5.172 -4.558 175 HA VAL 28 HA VAL 28 5.480 -7.408 -2.715 176 HB VAL 28 HB VAL 28 5.800 -8.498 -4.887 177 1HG1 VAL 28 1HG1 VAL 28 6.719 -7.206 -6.473 178 2HG1 VAL 28 2HG1 VAL 28 8.252 -7.791 -5.826 179 3HG1 VAL 28 3HG1 VAL 28 7.613 -6.232 -5.305 180 1HG2 VAL 28 1HG2 VAL 28 7.075 -9.149 -2.769 181 2HG2 VAL 28 2HG2 VAL 28 8.478 -8.400 -3.532 182 3HG2 VAL 28 3HG2 VAL 28 7.680 -9.770 -4.305 Start of MODEL 19 1 1H VAL 1 HT1 VAL 1 -9.317 2.569 4.716 2 2H VAL 1 HT2 VAL 1 -9.516 2.783 3.024 3 3H VAL 1 HT3 VAL 1 -9.770 4.101 4.094 4 HA VAL 1 HA VAL 1 -7.589 4.391 4.510 5 HB VAL 1 HB VAL 1 -5.859 2.700 3.903 6 1HG1 VAL 1 1HG1 VAL 1 -7.659 1.208 5.700 7 2HG1 VAL 1 2HG1 VAL 1 -7.329 2.882 6.148 8 3HG1 VAL 1 3HG1 VAL 1 -5.997 1.745 5.944 9 1HG2 VAL 1 1HG2 VAL 1 -6.731 1.327 2.273 10 2HG2 VAL 1 2HG2 VAL 1 -8.294 1.185 3.077 11 3HG2 VAL 1 3HG2 VAL 1 -6.898 0.310 3.704 12 H GLY 2 HN GLY 2 -6.706 5.801 3.148 13 1HA GLY 2 HA2 GLY 2 -7.220 5.490 0.286 14 2HA GLY 2 HA1 GLY 2 -6.690 6.959 1.091 15 H CYS 3 HN CYS 3 -4.825 7.513 0.159 16 HA CYS 3 HA CYS 3 -2.888 5.454 -0.554 17 1HB CYS 3 HB2 CYS 3 -3.489 8.162 -1.450 18 2HB CYS 3 HB1 CYS 3 -1.766 7.915 -1.187 19 H GLU 4 HN GLU 4 -3.394 7.964 1.799 20 HA GLU 4 HA GLU 4 -0.657 7.782 2.769 21 1HB GLU 4 HB2 GLU 4 -2.135 9.931 2.582 22 2HB GLU 4 HB1 GLU 4 -2.798 9.372 4.112 23 1HG GLU 4 HG2 GLU 4 -0.325 9.238 4.857 24 2HG GLU 4 HG1 GLU 4 -0.029 10.297 3.479 25 H GLU 5 HN GLU 5 -3.238 5.929 3.108 26 HA GLU 5 HA GLU 5 -2.720 5.330 5.936 27 1HB GLU 5 HB2 GLU 5 -5.221 5.117 4.291 28 2HB GLU 5 HB1 GLU 5 -5.019 4.150 5.746 29 1HG GLU 5 HG2 GLU 5 -4.807 7.149 5.669 30 2HG GLU 5 HG1 GLU 5 -6.276 6.265 6.079 31 H CYS 6 HN CYS 6 -1.487 4.341 3.289 32 HA CYS 6 HA CYS 6 -2.156 1.555 3.259 33 1HB CYS 6 HB2 CYS 6 -0.607 3.374 1.606 34 2HB CYS 6 HB1 CYS 6 0.196 1.823 1.820 35 HA PRO 7 HA PRO 7 2.498 1.519 5.051 36 1HB PRO 7 HB2 PRO 7 1.875 3.839 6.833 37 2HB PRO 7 HB1 PRO 7 3.419 3.350 6.126 38 1HG PRO 7 HG2 PRO 7 2.040 5.391 5.104 39 2HG PRO 7 HG1 PRO 7 2.912 4.260 4.053 40 1HD PRO 7 HD2 PRO 7 -0.013 4.498 4.559 41 2HD PRO 7 HD1 PRO 7 0.834 3.972 3.096 42 H MET 8 HN MET 8 -0.560 2.321 6.521 43 HA MET 8 HA MET 8 -0.005 0.813 8.943 44 1HB MET 8 HB2 MET 8 -2.477 2.275 7.992 45 2HB MET 8 HB1 MET 8 -2.317 1.496 9.562 46 1HG MET 8 HG2 MET 8 -1.653 3.487 10.293 47 2HG MET 8 HG1 MET 8 -0.121 3.119 9.503 48 1HE MET 8 HE1 MET 8 0.948 4.610 8.653 49 2HE MET 8 HE2 MET 8 0.362 6.271 8.566 50 3HE MET 8 HE3 MET 8 0.574 5.332 7.089 51 H HIS 9 HN HIS 9 -1.834 0.564 5.966 52 HA HIS 9 HA HIS 9 -2.933 -2.016 6.798 53 1HB HIS 9 HB2 HIS 9 -4.718 -1.543 5.499 54 2HB HIS 9 HB1 HIS 9 -4.118 0.095 5.554 55 HD1 HIS 9 HD1 HIS 9 -3.492 -2.944 3.329 56 HD2 HIS 9 HD2 HIS 9 -4.108 1.149 3.139 57 HE1 HIS 9 HE1 HIS 9 -3.474 -2.384 0.875 58 HE2 HIS 9 HE2 HIS 9 -3.997 0.081 0.779 59 H CYS 10 HN CYS 10 -2.213 -3.888 6.031 60 HA CYS 10 HA CYS 10 -1.243 -5.434 4.637 61 1HB CYS 10 HB2 CYS 10 -1.765 -3.509 2.813 62 2HB CYS 10 HB1 CYS 10 -0.007 -3.475 2.787 63 H LYS 11 HN LYS 11 0.188 -5.903 6.301 64 HA LYS 11 HA LYS 11 2.840 -4.636 6.078 65 1HB LYS 11 HB2 LYS 11 1.445 -5.804 8.488 66 2HB LYS 11 HB1 LYS 11 3.151 -5.377 8.470 67 1HG LYS 11 HG2 LYS 11 1.470 -3.204 7.540 68 2HG LYS 11 HG1 LYS 11 1.050 -3.732 9.170 69 1HD LYS 11 HD2 LYS 11 3.910 -3.261 8.420 70 2HD LYS 11 HD1 LYS 11 2.866 -1.905 8.851 71 1HE LYS 11 HE2 LYS 11 4.062 -2.658 10.808 72 2HE LYS 11 HE1 LYS 11 2.346 -3.022 10.987 73 1HZ LYS 11 HZ1 LYS 11 4.341 -5.000 10.038 74 2HZ LYS 11 HZ2 LYS 11 2.740 -5.293 10.498 75 3HZ LYS 11 HZ3 LYS 11 3.884 -4.844 11.660 76 H GLY 12 HN GLY 12 4.308 -5.918 5.186 77 1HA GLY 12 HA2 GLY 12 4.298 -8.771 5.882 78 2HA GLY 12 HA1 GLY 12 4.338 -8.302 4.190 79 H LYS 13 HN LYS 13 6.249 -7.789 3.269 80 HA LYS 13 HA LYS 13 8.517 -6.979 4.799 81 1HB LYS 13 HB2 LYS 13 8.578 -9.378 5.237 82 2HB LYS 13 HB1 LYS 13 8.506 -9.708 3.512 83 1HG LYS 13 HG2 LYS 13 10.685 -8.454 3.302 84 2HG LYS 13 HG1 LYS 13 10.764 -8.476 5.065 85 1HD LYS 13 HD2 LYS 13 10.552 -10.916 3.301 86 2HD LYS 13 HD1 LYS 13 12.041 -10.319 4.036 87 1HE LYS 13 HE2 LYS 13 10.723 -10.498 6.259 88 2HE LYS 13 HE1 LYS 13 9.646 -11.552 5.343 89 1HZ LYS 13 HZ1 LYS 13 11.367 -13.077 4.961 90 2HZ LYS 13 HZ2 LYS 13 11.518 -12.659 6.593 91 3HZ LYS 13 HZ3 LYS 13 12.571 -11.993 5.449 92 H ASN 14 HN ASN 14 7.344 -8.261 1.725 93 HA ASN 14 HA ASN 14 9.040 -6.318 0.362 94 1HB ASN 14 HB2 ASN 14 8.445 -9.174 -0.328 95 2HB ASN 14 HB1 ASN 14 8.812 -8.024 -1.609 96 1HD2 ASN 14 1HD2 ASN 14 10.750 -6.496 -0.656 97 2HD2 ASN 14 2HD2 ASN 14 12.147 -7.425 -0.242 98 H ALA 15 HN ALA 15 6.425 -5.923 1.377 99 HA ALA 15 HA ALA 15 4.879 -5.691 -1.113 100 1HB ALA 15 HB1 ALA 15 3.373 -5.412 1.376 101 2HB ALA 15 HB2 ALA 15 4.118 -6.996 1.159 102 3HB ALA 15 HB3 ALA 15 3.018 -6.364 -0.066 103 H LYS 16 HN LYS 16 5.414 -3.673 -1.805 104 HA LYS 16 HA LYS 16 5.213 -1.463 0.109 105 1HB LYS 16 HB2 LYS 16 7.293 -1.527 -1.121 106 2HB LYS 16 HB1 LYS 16 6.429 -1.576 -2.650 107 1HG LYS 16 HG2 LYS 16 7.031 0.628 -2.554 108 2HG LYS 16 HG1 LYS 16 5.430 0.693 -1.815 109 1HD LYS 16 HD2 LYS 16 6.488 1.803 -0.169 110 2HD LYS 16 HD1 LYS 16 6.986 0.192 0.352 111 1HE LYS 16 HE2 LYS 16 8.641 1.587 -1.687 112 2HE LYS 16 HE1 LYS 16 8.735 2.144 -0.017 113 1HZ LYS 16 HZ1 LYS 16 9.498 -0.465 -1.146 114 2HZ LYS 16 HZ2 LYS 16 9.068 -0.352 0.486 115 3HZ LYS 16 HZ3 LYS 16 10.371 0.548 -0.108 116 HA PRO 17 HA PRO 17 1.286 -0.373 -1.650 117 1HB PRO 17 HB2 PRO 17 1.026 2.080 -0.542 118 2HB PRO 17 HB1 PRO 17 0.837 0.591 0.390 119 1HG PRO 17 HG2 PRO 17 3.207 2.410 0.187 120 2HG PRO 17 HG1 PRO 17 2.510 1.638 1.624 121 1HD PRO 17 HD2 PRO 17 4.707 0.669 0.353 122 2HD PRO 17 HD1 PRO 17 3.546 -0.375 1.198 123 H THR 18 HN THR 18 0.530 0.711 -3.402 124 HA THR 18 HA THR 18 2.238 2.789 -4.577 125 HB THR 18 HB THR 18 2.425 0.498 -5.685 126 HG1 THR 18 HG1 THR 18 2.985 1.599 -7.373 127 1HG2 THR 18 1HG2 THR 18 0.692 -0.494 -6.626 128 2HG2 THR 18 2HG2 THR 18 0.147 1.007 -7.374 129 3HG2 THR 18 3HG2 THR 18 -0.317 0.629 -5.717 130 H CYS 19 HN CYS 19 1.191 4.440 -5.704 131 HA CYS 19 HA CYS 19 -1.678 4.635 -5.115 132 1HB CYS 19 HB2 CYS 19 0.467 6.697 -5.558 133 2HB CYS 19 HB1 CYS 19 -1.239 7.117 -5.676 134 H ASP 20 HN ASP 20 -3.020 4.235 -6.731 135 HA ASP 20 HA ASP 20 -2.262 5.031 -9.436 136 1HB ASP 20 HB2 ASP 20 -2.257 2.479 -8.817 137 2HB ASP 20 HB1 ASP 20 -4.001 2.648 -8.981 138 H ASP 21 HN ASP 21 -3.518 6.779 -9.771 139 HA ASP 21 HA ASP 21 -5.355 8.122 -9.902 140 1HB ASP 21 HB2 ASP 21 -6.709 5.449 -10.333 141 2HB ASP 21 HB1 ASP 21 -7.431 7.016 -10.688 142 H GLY 22 HN GLY 22 -4.657 7.853 -7.359 143 1HA GLY 22 HA2 GLY 22 -5.433 8.211 -5.247 144 2HA GLY 22 HA1 GLY 22 -7.026 8.353 -5.956 145 H VAL 23 HN VAL 23 -5.398 5.425 -6.631 146 HA VAL 23 HA VAL 23 -6.992 4.052 -4.566 147 HB VAL 23 HB VAL 23 -6.185 2.948 -7.258 148 1HG1 VAL 23 1HG1 VAL 23 -6.521 1.053 -6.045 149 2HG1 VAL 23 2HG1 VAL 23 -8.196 1.386 -6.485 150 3HG1 VAL 23 3HG1 VAL 23 -7.594 1.847 -4.893 151 1HG2 VAL 23 1HG2 VAL 23 -7.773 4.722 -7.604 152 2HG2 VAL 23 2HG2 VAL 23 -8.821 4.085 -6.336 153 3HG2 VAL 23 3HG2 VAL 23 -8.589 3.175 -7.829 154 H CYS 24 HN CYS 24 -5.570 3.577 -2.982 155 HA CYS 24 HA CYS 24 -2.834 2.910 -3.507 156 1HB CYS 24 HB2 CYS 24 -3.975 3.984 -1.374 157 2HB CYS 24 HB1 CYS 24 -4.119 2.300 -0.881 158 H ASN 25 HN ASN 25 -1.808 0.918 -3.263 159 HA ASN 25 HA ASN 25 -3.280 -1.451 -2.614 160 1HB ASN 25 HB2 ASN 25 -3.154 -0.616 -5.344 161 2HB ASN 25 HB1 ASN 25 -2.239 -2.106 -5.153 162 1HD2 ASN 25 1HD2 ASN 25 -3.332 -3.928 -5.245 163 2HD2 ASN 25 2HD2 ASN 25 -5.038 -4.101 -5.029 164 H CYS 26 HN CYS 26 -1.935 -2.774 -1.624 165 HA CYS 26 HA CYS 26 0.915 -2.300 -1.732 166 1HB CYS 26 HB2 CYS 26 1.003 -4.096 0.011 167 2HB CYS 26 HB1 CYS 26 -0.029 -2.736 0.438 168 H ASN 27 HN ASN 27 2.332 -3.378 -2.945 169 HA ASN 27 HA ASN 27 1.638 -6.048 -3.921 170 1HB ASN 27 HB2 ASN 27 2.451 -3.699 -5.617 171 2HB ASN 27 HB1 ASN 27 2.627 -5.361 -6.171 172 1HD2 ASN 27 1HD2 ASN 27 1.016 -3.339 -7.354 173 2HD2 ASN 27 2HD2 ASN 27 -0.626 -3.872 -7.275 174 H VAL 28 HN VAL 28 4.306 -4.063 -5.005 175 HA VAL 28 HA VAL 28 6.156 -5.709 -3.419 176 HB VAL 28 HB VAL 28 6.670 -4.876 -6.273 177 1HG1 VAL 28 1HG1 VAL 28 8.538 -5.377 -4.498 178 2HG1 VAL 28 2HG1 VAL 28 8.668 -5.996 -6.144 179 3HG1 VAL 28 3HG1 VAL 28 8.116 -7.054 -4.845 180 1HG2 VAL 28 1HG2 VAL 28 4.858 -6.468 -6.276 181 2HG2 VAL 28 2HG2 VAL 28 5.748 -7.535 -5.190 182 3HG2 VAL 28 3HG2 VAL 28 6.330 -7.263 -6.833 Start of MODEL 20 1 1H VAL 1 HT1 VAL 1 -9.247 4.901 0.292 2 2H VAL 1 HT2 VAL 1 -9.522 6.594 0.337 3 3H VAL 1 HT3 VAL 1 -10.430 5.548 1.350 4 HA VAL 1 HA VAL 1 -8.927 6.379 2.783 5 HB VAL 1 HB VAL 1 -7.276 4.092 1.750 6 1HG1 VAL 1 1HG1 VAL 1 -7.508 3.714 4.391 7 2HG1 VAL 1 2HG1 VAL 1 -7.724 5.464 4.328 8 3HG1 VAL 1 3HG1 VAL 1 -6.262 4.732 3.668 9 1HG2 VAL 1 1HG2 VAL 1 -8.891 2.662 3.167 10 2HG2 VAL 1 2HG2 VAL 1 -9.379 3.117 1.534 11 3HG2 VAL 1 3HG2 VAL 1 -10.032 3.985 2.924 12 H GLY 2 HN GLY 2 -6.648 6.933 3.322 13 1HA GLY 2 HA2 GLY 2 -5.553 8.583 1.241 14 2HA GLY 2 HA1 GLY 2 -4.928 8.412 2.874 15 H CYS 3 HN CYS 3 -2.876 8.528 1.567 16 HA CYS 3 HA CYS 3 -2.169 5.922 0.410 17 1HB CYS 3 HB2 CYS 3 -1.791 8.330 -0.695 18 2HB CYS 3 HB1 CYS 3 -0.300 8.229 0.235 19 H GLU 4 HN GLU 4 -1.414 8.158 2.977 20 HA GLU 4 HA GLU 4 0.931 6.674 3.804 21 1HB GLU 4 HB2 GLU 4 0.552 9.232 3.972 22 2HB GLU 4 HB1 GLU 4 -0.382 8.835 5.408 23 1HG GLU 4 HG2 GLU 4 1.654 7.629 6.262 24 2HG GLU 4 HG1 GLU 4 2.541 8.344 4.916 25 H GLU 5 HN GLU 5 -2.195 6.048 4.034 26 HA GLU 5 HA GLU 5 -2.052 4.964 6.756 27 1HB GLU 5 HB2 GLU 5 -4.342 5.887 5.060 28 2HB GLU 5 HB1 GLU 5 -4.620 4.715 6.341 29 1HG GLU 5 HG2 GLU 5 -4.385 6.239 7.966 30 2HG GLU 5 HG1 GLU 5 -3.067 7.070 7.141 31 H CYS 6 HN CYS 6 -2.408 4.171 3.403 32 HA CYS 6 HA CYS 6 -3.514 1.629 3.602 33 1HB CYS 6 HB2 CYS 6 -1.821 3.003 1.575 34 2HB CYS 6 HB1 CYS 6 -2.080 1.269 1.418 35 HA PRO 7 HA PRO 7 1.274 0.210 3.723 36 1HB PRO 7 HB2 PRO 7 1.856 2.300 5.783 37 2HB PRO 7 HB1 PRO 7 2.932 1.583 4.576 38 1HG PRO 7 HG2 PRO 7 1.920 4.025 4.218 39 2HG PRO 7 HG1 PRO 7 2.103 2.903 2.858 40 1HD PRO 7 HD2 PRO 7 -0.363 3.733 4.305 41 2HD PRO 7 HD1 PRO 7 -0.162 3.263 2.610 42 H MET 8 HN MET 8 -0.836 1.508 6.178 43 HA MET 8 HA MET 8 -0.043 -0.212 8.306 44 1HB MET 8 HB2 MET 8 -1.241 1.972 8.577 45 2HB MET 8 HB1 MET 8 -2.677 1.217 7.892 46 1HG MET 8 HG2 MET 8 -2.903 -0.241 9.741 47 2HG MET 8 HG1 MET 8 -1.303 0.175 10.354 48 1HE MET 8 HE1 MET 8 -4.632 1.308 9.316 49 2HE MET 8 HE2 MET 8 -4.428 3.053 9.472 50 3HE MET 8 HE3 MET 8 -5.266 2.147 10.732 51 H HIS 9 HN HIS 9 -2.669 -0.212 5.944 52 HA HIS 9 HA HIS 9 -3.898 -2.588 6.867 53 1HB HIS 9 HB2 HIS 9 -5.418 -2.254 5.161 54 2HB HIS 9 HB1 HIS 9 -4.779 -0.639 5.340 55 HD1 HIS 9 HD1 HIS 9 -3.805 -3.671 3.218 56 HD2 HIS 9 HD2 HIS 9 -4.382 0.423 2.961 57 HE1 HIS 9 HE1 HIS 9 -3.346 -3.085 0.816 58 HE2 HIS 9 HE2 HIS 9 -3.801 -0.611 0.660 59 H CYS 10 HN CYS 10 -1.195 -1.972 4.799 60 HA CYS 10 HA CYS 10 -1.033 -4.855 4.210 61 1HB CYS 10 HB2 CYS 10 -1.313 -2.903 2.317 62 2HB CYS 10 HB1 CYS 10 0.437 -3.061 2.396 63 H LYS 11 HN LYS 11 0.223 -5.225 6.067 64 HA LYS 11 HA LYS 11 2.943 -4.096 5.946 65 1HB LYS 11 HB2 LYS 11 1.549 -5.120 8.422 66 2HB LYS 11 HB1 LYS 11 3.096 -4.288 8.340 67 1HG LYS 11 HG2 LYS 11 0.827 -2.808 7.207 68 2HG LYS 11 HG1 LYS 11 0.749 -3.099 8.946 69 1HD LYS 11 HD2 LYS 11 3.192 -1.974 7.596 70 2HD LYS 11 HD1 LYS 11 1.887 -0.954 8.206 71 1HE LYS 11 HE2 LYS 11 2.228 -1.746 10.440 72 2HE LYS 11 HE1 LYS 11 3.377 -2.963 9.886 73 1HZ LYS 11 HZ1 LYS 11 5.014 -1.422 9.596 74 2HZ LYS 11 HZ2 LYS 11 4.188 -0.704 10.885 75 3HZ LYS 11 HZ3 LYS 11 3.941 -0.145 9.308 76 H GLY 12 HN GLY 12 4.370 -5.541 5.264 77 1HA GLY 12 HA2 GLY 12 4.220 -8.274 6.312 78 2HA GLY 12 HA1 GLY 12 4.284 -8.046 4.572 79 H LYS 13 HN LYS 13 6.214 -7.720 3.603 80 HA LYS 13 HA LYS 13 8.508 -6.793 5.011 81 1HB LYS 13 HB2 LYS 13 7.977 -9.610 4.957 82 2HB LYS 13 HB1 LYS 13 9.435 -9.277 4.035 83 1HG LYS 13 HG2 LYS 13 10.613 -8.634 5.859 84 2HG LYS 13 HG1 LYS 13 9.198 -7.970 6.676 85 1HD LYS 13 HD2 LYS 13 8.968 -9.836 7.863 86 2HD LYS 13 HD1 LYS 13 8.868 -10.795 6.385 87 1HE LYS 13 HE2 LYS 13 10.687 -11.563 7.823 88 2HE LYS 13 HE1 LYS 13 11.300 -10.931 6.296 89 1HZ LYS 13 HZ1 LYS 13 12.695 -9.985 7.852 90 2HZ LYS 13 HZ2 LYS 13 11.465 -9.743 8.987 91 3HZ LYS 13 HZ3 LYS 13 11.557 -8.755 7.617 92 H ASN 14 HN ASN 14 7.163 -8.312 2.146 93 HA ASN 14 HA ASN 14 9.020 -6.751 0.535 94 1HB ASN 14 HB2 ASN 14 8.198 -9.623 0.201 95 2HB ASN 14 HB1 ASN 14 8.732 -8.672 -1.182 96 1HD2 ASN 14 1HD2 ASN 14 10.823 -7.388 -0.644 97 2HD2 ASN 14 2HD2 ASN 14 12.081 -8.325 0.080 98 H ALA 15 HN ALA 15 6.448 -6.052 1.483 99 HA ALA 15 HA ALA 15 5.023 -5.858 -1.074 100 1HB ALA 15 HB1 ALA 15 2.993 -5.722 0.746 101 2HB ALA 15 HB2 ALA 15 4.057 -6.929 1.467 102 3HB ALA 15 HB3 ALA 15 3.442 -7.161 -0.170 103 H LYS 16 HN LYS 16 5.305 -3.778 -1.637 104 HA LYS 16 HA LYS 16 5.011 -1.726 0.442 105 1HB LYS 16 HB2 LYS 16 7.122 -1.610 -0.728 106 2HB LYS 16 HB1 LYS 16 6.302 -1.580 -2.282 107 1HG LYS 16 HG2 LYS 16 6.654 0.633 -2.098 108 2HG LYS 16 HG1 LYS 16 5.177 0.570 -1.136 109 1HD LYS 16 HD2 LYS 16 6.312 1.424 0.574 110 2HD LYS 16 HD1 LYS 16 7.278 -0.052 0.622 111 1HE LYS 16 HE2 LYS 16 7.874 2.532 -0.790 112 2HE LYS 16 HE1 LYS 16 8.827 1.714 0.447 113 1HZ LYS 16 HZ1 LYS 16 8.607 1.133 -2.416 114 2HZ LYS 16 HZ2 LYS 16 8.885 -0.159 -1.360 115 3HZ LYS 16 HZ3 LYS 16 9.973 1.135 -1.417 116 HA PRO 17 HA PRO 17 1.120 -0.630 -1.402 117 1HB PRO 17 HB2 PRO 17 0.640 1.618 -0.009 118 2HB PRO 17 HB1 PRO 17 0.565 0.020 0.745 119 1HG PRO 17 HG2 PRO 17 2.767 2.048 0.818 120 2HG PRO 17 HG1 PRO 17 2.116 1.056 2.136 121 1HD PRO 17 HD2 PRO 17 4.412 0.446 0.783 122 2HD PRO 17 HD1 PRO 17 3.370 -0.773 1.543 123 H THR 18 HN THR 18 0.329 0.728 -2.982 124 HA THR 18 HA THR 18 1.925 3.054 -3.739 125 HB THR 18 HB THR 18 2.668 1.093 -5.090 126 HG1 THR 18 HG1 THR 18 2.974 3.046 -6.043 127 1HG2 THR 18 1HG2 THR 18 -0.147 0.802 -5.483 128 2HG2 THR 18 2HG2 THR 18 1.168 -0.287 -5.920 129 3HG2 THR 18 3HG2 THR 18 0.679 0.998 -7.026 130 H CYS 19 HN CYS 19 0.816 4.604 -5.036 131 HA CYS 19 HA CYS 19 -2.116 4.342 -4.891 132 1HB CYS 19 HB2 CYS 19 -0.297 6.656 -4.344 133 2HB CYS 19 HB1 CYS 19 -1.935 6.958 -4.913 134 H ASP 20 HN ASP 20 -3.094 4.262 -6.800 135 HA ASP 20 HA ASP 20 -1.885 5.644 -9.070 136 1HB ASP 20 HB2 ASP 20 -1.734 3.027 -8.954 137 2HB ASP 20 HB1 ASP 20 -3.414 3.111 -9.468 138 H ASP 21 HN ASP 21 -3.221 7.342 -9.346 139 HA ASP 21 HA ASP 21 -5.125 8.568 -9.613 140 1HB ASP 21 HB2 ASP 21 -5.616 6.025 -11.100 141 2HB ASP 21 HB1 ASP 21 -6.955 7.154 -10.918 142 H GLY 22 HN GLY 22 -5.012 7.786 -7.089 143 1HA GLY 22 HA2 GLY 22 -6.308 7.640 -5.220 144 2HA GLY 22 HA1 GLY 22 -7.698 7.749 -6.278 145 H VAL 23 HN VAL 23 -5.518 5.227 -7.018 146 HA VAL 23 HA VAL 23 -7.343 3.284 -5.763 147 HB VAL 23 HB VAL 23 -5.585 2.828 -8.175 148 1HG1 VAL 23 1HG1 VAL 23 -6.599 0.969 -6.497 149 2HG1 VAL 23 2HG1 VAL 23 -6.307 0.695 -8.215 150 3HG1 VAL 23 3HG1 VAL 23 -7.923 1.121 -7.652 151 1HG2 VAL 23 1HG2 VAL 23 -8.499 2.857 -8.531 152 2HG2 VAL 23 2HG2 VAL 23 -7.221 3.505 -9.560 153 3HG2 VAL 23 3HG2 VAL 23 -7.781 4.426 -8.165 154 H CYS 24 HN CYS 24 -6.360 2.816 -3.861 155 HA CYS 24 HA CYS 24 -3.533 2.562 -3.574 156 1HB CYS 24 HB2 CYS 24 -5.731 2.790 -1.851 157 2HB CYS 24 HB1 CYS 24 -5.035 1.214 -1.493 158 H ASN 25 HN ASN 25 -2.254 0.788 -3.628 159 HA ASN 25 HA ASN 25 -3.315 -1.870 -3.545 160 1HB ASN 25 HB2 ASN 25 -3.018 -0.590 -6.081 161 2HB ASN 25 HB1 ASN 25 -1.862 -1.910 -5.963 162 1HD2 ASN 25 1HD2 ASN 25 -3.154 -2.834 -7.688 163 2HD2 ASN 25 2HD2 ASN 25 -4.578 -3.727 -7.287 164 H CYS 26 HN CYS 26 -1.872 -3.089 -2.556 165 HA CYS 26 HA CYS 26 0.932 -2.212 -2.533 166 1HB CYS 26 HB2 CYS 26 1.092 -3.718 -0.498 167 2HB CYS 26 HB1 CYS 26 0.085 -2.286 -0.314 168 H ASN 27 HN ASN 27 2.474 -3.428 -3.423 169 HA ASN 27 HA ASN 27 1.855 -6.222 -4.084 170 1HB ASN 27 HB2 ASN 27 2.790 -4.035 -5.873 171 2HB ASN 27 HB1 ASN 27 3.414 -5.658 -6.154 172 1HD2 ASN 27 1HD2 ASN 27 0.942 -3.526 -6.800 173 2HD2 ASN 27 2HD2 ASN 27 -0.215 -4.641 -7.433 174 H VAL 28 HN VAL 28 4.689 -4.258 -4.743 175 HA VAL 28 HA VAL 28 6.218 -5.729 -2.733 176 HB VAL 28 HB VAL 28 6.519 -6.995 -4.808 177 1HG1 VAL 28 1HG1 VAL 28 6.176 -4.833 -6.214 178 2HG1 VAL 28 2HG1 VAL 28 7.235 -6.109 -6.814 179 3HG1 VAL 28 3HG1 VAL 28 7.926 -4.674 -6.056 180 1HG2 VAL 28 1HG2 VAL 28 8.847 -7.199 -4.696 181 2HG2 VAL 28 2HG2 VAL 28 8.391 -6.576 -3.111 182 3HG2 VAL 28 3HG2 VAL 28 9.070 -5.490 -4.322 Start of MODEL 21 1 1H VAL 1 HT1 VAL 1 -9.910 3.337 2.416 2 2H VAL 1 HT2 VAL 1 -9.379 1.723 2.652 3 3H VAL 1 HT3 VAL 1 -8.986 2.555 1.203 4 HA VAL 1 HA VAL 1 -8.170 3.650 3.773 5 HB VAL 1 HB VAL 1 -6.025 2.413 3.557 6 1HG1 VAL 1 1HG1 VAL 1 -6.754 0.498 4.707 7 2HG1 VAL 1 2HG1 VAL 1 -8.295 0.466 3.849 8 3HG1 VAL 1 3HG1 VAL 1 -7.977 1.724 5.044 9 1HG2 VAL 1 1HG2 VAL 1 -5.833 1.652 1.394 10 2HG2 VAL 1 2HG2 VAL 1 -7.514 1.127 1.314 11 3HG2 VAL 1 3HG2 VAL 1 -6.337 0.181 2.225 12 H GLY 2 HN GLY 2 -7.008 5.443 3.441 13 1HA GLY 2 HA2 GLY 2 -6.757 6.585 0.886 14 2HA GLY 2 HA1 GLY 2 -5.948 7.154 2.339 15 H CYS 3 HN CYS 3 -4.107 7.671 1.063 16 HA CYS 3 HA CYS 3 -2.591 5.335 0.110 17 1HB CYS 3 HB2 CYS 3 -3.204 7.441 -1.380 18 2HB CYS 3 HB1 CYS 3 -1.782 8.119 -0.596 19 H GLU 4 HN GLU 4 -2.602 7.997 2.330 20 HA GLU 4 HA GLU 4 0.200 7.646 3.011 21 1HB GLU 4 HB2 GLU 4 -1.936 9.533 3.961 22 2HB GLU 4 HB1 GLU 4 -0.349 9.459 4.712 23 1HG GLU 4 HG2 GLU 4 0.476 9.788 2.240 24 2HG GLU 4 HG1 GLU 4 -1.136 10.471 2.031 25 H GLU 5 HN GLU 5 -2.424 5.960 3.694 26 HA GLU 5 HA GLU 5 -1.411 5.157 6.318 27 1HB GLU 5 HB2 GLU 5 -4.251 5.841 5.613 28 2HB GLU 5 HB1 GLU 5 -3.876 4.763 6.950 29 1HG GLU 5 HG2 GLU 5 -3.245 6.438 8.280 30 2HG GLU 5 HG1 GLU 5 -2.358 7.254 6.993 31 H CYS 6 HN CYS 6 -1.231 4.062 3.552 32 HA CYS 6 HA CYS 6 -2.849 1.696 3.585 33 1HB CYS 6 HB2 CYS 6 -1.018 2.988 1.696 34 2HB CYS 6 HB1 CYS 6 -0.990 1.228 1.643 35 HA PRO 7 HA PRO 7 1.755 -0.098 4.314 36 1HB PRO 7 HB2 PRO 7 2.286 2.045 6.334 37 2HB PRO 7 HB1 PRO 7 3.422 1.177 5.293 38 1HG PRO 7 HG2 PRO 7 2.677 3.668 4.707 39 2HG PRO 7 HG1 PRO 7 2.902 2.459 3.430 40 1HD PRO 7 HD2 PRO 7 0.379 3.571 4.557 41 2HD PRO 7 HD1 PRO 7 0.718 2.998 2.916 42 H MET 8 HN MET 8 -0.486 1.493 6.463 43 HA MET 8 HA MET 8 -0.081 -0.189 8.729 44 1HB MET 8 HB2 MET 8 -2.273 1.700 7.879 45 2HB MET 8 HB1 MET 8 -2.368 0.773 9.372 46 1HG MET 8 HG2 MET 8 -1.501 2.745 10.136 47 2HG MET 8 HG1 MET 8 -0.027 1.824 9.841 48 1HE MET 8 HE1 MET 8 -1.040 5.214 9.829 49 2HE MET 8 HE2 MET 8 -2.338 4.715 8.744 50 3HE MET 8 HE3 MET 8 -1.092 5.827 8.176 51 H HIS 9 HN HIS 9 -2.412 -0.065 6.084 52 HA HIS 9 HA HIS 9 -3.922 -2.311 6.967 53 1HB HIS 9 HB2 HIS 9 -5.311 -1.840 5.197 54 2HB HIS 9 HB1 HIS 9 -4.508 -0.297 5.351 55 HD1 HIS 9 HD1 HIS 9 -3.784 -3.500 3.388 56 HD2 HIS 9 HD2 HIS 9 -3.882 0.619 2.963 57 HE1 HIS 9 HE1 HIS 9 -3.157 -3.065 0.991 58 HE2 HIS 9 HE2 HIS 9 -3.321 -0.563 0.727 59 H CYS 10 HN CYS 10 -1.048 -1.919 5.086 60 HA CYS 10 HA CYS 10 -1.041 -4.817 4.558 61 1HB CYS 10 HB2 CYS 10 -1.168 -2.954 2.586 62 2HB CYS 10 HB1 CYS 10 0.575 -3.119 2.758 63 H LYS 11 HN LYS 11 0.240 -5.474 6.215 64 HA LYS 11 HA LYS 11 2.910 -4.238 6.405 65 1HB LYS 11 HB2 LYS 11 1.558 -5.775 8.616 66 2HB LYS 11 HB1 LYS 11 2.971 -4.735 8.726 67 1HG LYS 11 HG2 LYS 11 1.456 -2.822 8.074 68 2HG LYS 11 HG1 LYS 11 0.106 -3.929 8.333 69 1HD LYS 11 HD2 LYS 11 0.223 -3.002 10.414 70 2HD LYS 11 HD1 LYS 11 1.367 -4.328 10.633 71 1HE LYS 11 HE2 LYS 11 2.465 -2.449 11.499 72 2HE LYS 11 HE1 LYS 11 3.163 -2.674 9.896 73 1HZ LYS 11 HZ1 LYS 11 1.966 -0.877 9.048 74 2HZ LYS 11 HZ2 LYS 11 2.498 -0.333 10.558 75 3HZ LYS 11 HZ3 LYS 11 0.895 -0.834 10.357 76 H GLY 12 HN GLY 12 4.429 -5.476 5.546 77 1HA GLY 12 HA2 GLY 12 4.448 -8.333 6.157 78 2HA GLY 12 HA1 GLY 12 4.459 -7.861 4.465 79 H LYS 13 HN LYS 13 6.341 -7.266 3.527 80 HA LYS 13 HA LYS 13 8.597 -6.378 5.016 81 1HB LYS 13 HB2 LYS 13 8.259 -9.195 4.597 82 2HB LYS 13 HB1 LYS 13 9.669 -8.640 3.707 83 1HG LYS 13 HG2 LYS 13 10.822 -8.087 5.598 84 2HG LYS 13 HG1 LYS 13 9.357 -7.770 6.530 85 1HD LYS 13 HD2 LYS 13 9.959 -9.748 7.485 86 2HD LYS 13 HD1 LYS 13 9.012 -10.377 6.135 87 1HE LYS 13 HE2 LYS 13 11.024 -11.622 6.174 88 2HE LYS 13 HE1 LYS 13 11.168 -10.488 4.831 89 1HZ LYS 13 HZ1 LYS 13 12.204 -9.669 7.444 90 2HZ LYS 13 HZ2 LYS 13 12.762 -9.285 5.894 91 3HZ LYS 13 HZ3 LYS 13 13.094 -10.804 6.560 92 H ASN 14 HN ASN 14 7.427 -7.763 1.990 93 HA ASN 14 HA ASN 14 9.053 -5.809 0.560 94 1HB ASN 14 HB2 ASN 14 8.556 -8.702 -0.039 95 2HB ASN 14 HB1 ASN 14 8.854 -7.580 -1.363 96 1HD2 ASN 14 1HD2 ASN 14 10.181 -8.617 1.748 97 2HD2 ASN 14 2HD2 ASN 14 11.840 -8.444 1.296 98 H ALA 15 HN ALA 15 6.438 -5.467 1.587 99 HA ALA 15 HA ALA 15 4.863 -5.354 -0.895 100 1HB ALA 15 HB1 ALA 15 2.994 -5.054 1.042 101 2HB ALA 15 HB2 ALA 15 4.147 -6.119 1.848 102 3HB ALA 15 HB3 ALA 15 3.430 -6.598 0.309 103 H LYS 16 HN LYS 16 5.303 -3.336 -1.642 104 HA LYS 16 HA LYS 16 5.022 -1.088 0.223 105 1HB LYS 16 HB2 LYS 16 7.118 -1.103 -0.983 106 2HB LYS 16 HB1 LYS 16 6.275 -1.224 -2.519 107 1HG LYS 16 HG2 LYS 16 6.494 0.988 -2.623 108 2HG LYS 16 HG1 LYS 16 5.197 1.048 -1.428 109 1HD LYS 16 HD2 LYS 16 6.837 2.363 -0.452 110 2HD LYS 16 HD1 LYS 16 7.115 0.791 0.299 111 1HE LYS 16 HE2 LYS 16 9.093 0.483 -0.761 112 2HE LYS 16 HE1 LYS 16 8.559 1.310 -2.224 113 1HZ LYS 16 HZ1 LYS 16 10.043 2.817 -1.427 114 2HZ LYS 16 HZ2 LYS 16 9.782 2.413 0.195 115 3HZ LYS 16 HZ3 LYS 16 8.660 3.375 -0.627 116 HA PRO 17 HA PRO 17 1.063 -0.187 -1.566 117 1HB PRO 17 HB2 PRO 17 0.782 2.348 -0.629 118 2HB PRO 17 HB1 PRO 17 0.563 0.913 0.378 119 1HG PRO 17 HG2 PRO 17 2.937 2.720 0.143 120 2HG PRO 17 HG1 PRO 17 2.215 2.004 1.596 121 1HD PRO 17 HD2 PRO 17 4.442 0.997 0.422 122 2HD PRO 17 HD1 PRO 17 3.262 -0.023 1.271 123 H THR 18 HN THR 18 0.341 0.661 -3.432 124 HA THR 18 HA THR 18 2.025 2.660 -4.781 125 HB THR 18 HB THR 18 0.583 1.296 -6.720 126 HG1 THR 18 HG1 THR 18 1.289 -0.860 -6.346 127 1HG2 THR 18 1HG2 THR 18 2.706 0.549 -7.542 128 2HG2 THR 18 2HG2 THR 18 3.460 0.900 -5.986 129 3HG2 THR 18 3HG2 THR 18 2.833 2.216 -6.980 130 H CYS 19 HN CYS 19 1.057 4.410 -5.651 131 HA CYS 19 HA CYS 19 -1.841 4.619 -5.255 132 1HB CYS 19 HB2 CYS 19 0.268 6.334 -4.551 133 2HB CYS 19 HB1 CYS 19 -0.597 7.137 -5.854 134 H ASP 20 HN ASP 20 -3.015 4.341 -7.026 135 HA ASP 20 HA ASP 20 -2.052 5.460 -9.543 136 1HB ASP 20 HB2 ASP 20 -1.971 2.858 -9.209 137 2HB ASP 20 HB1 ASP 20 -3.698 2.971 -9.524 138 H ASP 21 HN ASP 21 -3.362 7.167 -9.839 139 HA ASP 21 HA ASP 21 -5.244 8.442 -10.004 140 1HB ASP 21 HB2 ASP 21 -6.338 5.761 -10.877 141 2HB ASP 21 HB1 ASP 21 -7.211 7.281 -11.050 142 H GLY 22 HN GLY 22 -4.784 7.936 -7.441 143 1HA GLY 22 HA2 GLY 22 -5.796 8.077 -5.404 144 2HA GLY 22 HA1 GLY 22 -7.320 8.157 -6.260 145 H VAL 23 HN VAL 23 -5.424 5.433 -7.027 146 HA VAL 23 HA VAL 23 -7.125 3.761 -5.299 147 HB VAL 23 HB VAL 23 -5.755 2.929 -7.859 148 1HG1 VAL 23 1HG1 VAL 23 -6.228 1.138 -6.207 149 2HG1 VAL 23 2HG1 VAL 23 -7.110 0.947 -7.722 150 3HG1 VAL 23 3HG1 VAL 23 -7.938 1.563 -6.292 151 1HG2 VAL 23 1HG2 VAL 23 -8.379 2.860 -8.458 152 2HG2 VAL 23 2HG2 VAL 23 -7.334 4.238 -8.805 153 3HG2 VAL 23 3HG2 VAL 23 -8.348 4.242 -7.363 154 H CYS 24 HN CYS 24 -5.901 3.441 -3.508 155 HA CYS 24 HA CYS 24 -3.071 2.887 -3.713 156 1HB CYS 24 HB2 CYS 24 -4.133 4.232 -1.850 157 2HB CYS 24 HB1 CYS 24 -4.793 2.718 -1.240 158 H ASN 25 HN ASN 25 -2.094 0.945 -3.588 159 HA ASN 25 HA ASN 25 -3.410 -1.372 -2.542 160 1HB ASN 25 HB2 ASN 25 -3.655 -0.804 -5.328 161 2HB ASN 25 HB1 ASN 25 -2.661 -2.241 -5.125 162 1HD2 ASN 25 1HD2 ASN 25 -5.757 -1.101 -5.382 163 2HD2 ASN 25 2HD2 ASN 25 -6.608 -2.465 -4.750 164 H CYS 26 HN CYS 26 -1.918 -2.587 -1.619 165 HA CYS 26 HA CYS 26 0.879 -2.051 -2.068 166 1HB CYS 26 HB2 CYS 26 1.212 -3.772 -0.272 167 2HB CYS 26 HB1 CYS 26 0.198 -2.414 0.205 168 H ASN 27 HN ASN 27 2.313 -3.257 -3.177 169 HA ASN 27 HA ASN 27 1.385 -5.825 -4.268 170 1HB ASN 27 HB2 ASN 27 2.792 -3.575 -5.685 171 2HB ASN 27 HB1 ASN 27 2.794 -5.220 -6.314 172 1HD2 ASN 27 1HD2 ASN 27 1.721 -3.032 -7.673 173 2HD2 ASN 27 2HD2 ASN 27 0.014 -3.259 -7.816 174 H VAL 28 HN VAL 28 4.472 -4.333 -4.919 175 HA VAL 28 HA VAL 28 5.773 -6.381 -3.250 176 HB VAL 28 HB VAL 28 6.870 -5.308 -5.848 177 1HG1 VAL 28 1HG1 VAL 28 7.836 -7.162 -3.766 178 2HG1 VAL 28 2HG1 VAL 28 8.736 -6.115 -4.863 179 3HG1 VAL 28 3HG1 VAL 28 8.106 -7.659 -5.436 180 1HG2 VAL 28 1HG2 VAL 28 5.363 -7.861 -5.298 181 2HG2 VAL 28 2HG2 VAL 28 6.294 -7.555 -6.765 182 3HG2 VAL 28 3HG2 VAL 28 4.893 -6.553 -6.384 Start of MODEL 22 1 1H VAL 1 HT1 VAL 1 -6.424 1.587 3.151 2 2H VAL 1 HT2 VAL 1 -8.040 1.037 3.330 3 3H VAL 1 HT3 VAL 1 -7.348 2.075 4.509 4 HA VAL 1 HA VAL 1 -7.977 2.718 1.709 5 HB VAL 1 HB VAL 1 -9.501 4.379 2.745 6 1HG1 VAL 1 1HG1 VAL 1 -11.229 2.744 3.456 7 2HG1 VAL 1 2HG1 VAL 1 -9.993 1.486 3.434 8 3HG1 VAL 1 3HG1 VAL 1 -10.434 2.316 1.941 9 1HG2 VAL 1 1HG2 VAL 1 -8.131 4.073 5.010 10 2HG2 VAL 1 2HG2 VAL 1 -9.437 2.933 5.331 11 3HG2 VAL 1 3HG2 VAL 1 -9.807 4.622 4.985 12 H GLY 2 HN GLY 2 -7.673 5.011 1.212 13 1HA GLY 2 HA2 GLY 2 -6.627 7.100 1.527 14 2HA GLY 2 HA1 GLY 2 -5.757 6.432 2.901 15 H CYS 3 HN CYS 3 -3.953 7.597 1.827 16 HA CYS 3 HA CYS 3 -2.716 5.888 -0.231 17 1HB CYS 3 HB2 CYS 3 -3.403 8.146 -1.070 18 2HB CYS 3 HB1 CYS 3 -2.293 8.864 0.092 19 H GLU 4 HN GLU 4 -2.153 8.025 2.533 20 HA GLU 4 HA GLU 4 0.548 6.942 2.818 21 1HB GLU 4 HB2 GLU 4 -0.844 9.314 4.026 22 2HB GLU 4 HB1 GLU 4 0.710 8.744 4.617 23 1HG GLU 4 HG2 GLU 4 1.531 8.994 2.222 24 2HG GLU 4 HG1 GLU 4 0.046 9.898 1.930 25 H GLU 5 HN GLU 5 -2.377 6.054 3.748 26 HA GLU 5 HA GLU 5 -1.480 5.096 6.376 27 1HB GLU 5 HB2 GLU 5 -4.189 5.979 5.434 28 2HB GLU 5 HB1 GLU 5 -4.027 4.884 6.800 29 1HG GLU 5 HG2 GLU 5 -2.636 7.542 6.664 30 2HG GLU 5 HG1 GLU 5 -4.247 7.329 7.350 31 H CYS 6 HN CYS 6 -1.464 3.977 3.478 32 HA CYS 6 HA CYS 6 -3.109 1.644 3.701 33 1HB CYS 6 HB2 CYS 6 -1.114 2.579 1.666 34 2HB CYS 6 HB1 CYS 6 -1.827 0.972 1.579 35 HA PRO 7 HA PRO 7 1.521 -0.165 4.190 36 1HB PRO 7 HB2 PRO 7 2.110 1.899 6.272 37 2HB PRO 7 HB1 PRO 7 3.212 1.085 5.155 38 1HG PRO 7 HG2 PRO 7 2.439 3.595 4.708 39 2HG PRO 7 HG1 PRO 7 2.619 2.445 3.369 40 1HD PRO 7 HD2 PRO 7 0.135 3.481 4.653 41 2HD PRO 7 HD1 PRO 7 0.417 3.014 2.968 42 H MET 8 HN MET 8 -0.708 1.312 6.422 43 HA MET 8 HA MET 8 -0.215 -0.447 8.622 44 1HB MET 8 HB2 MET 8 -2.472 1.441 7.938 45 2HB MET 8 HB1 MET 8 -2.426 0.503 9.426 46 1HG MET 8 HG2 MET 8 -0.166 2.311 8.662 47 2HG MET 8 HG1 MET 8 -1.601 2.926 9.481 48 1HE MET 8 HE1 MET 8 -2.519 1.909 11.676 49 2HE MET 8 HE2 MET 8 -1.563 1.007 12.852 50 3HE MET 8 HE3 MET 8 -2.194 0.195 11.419 51 H HIS 9 HN HIS 9 -2.512 -0.275 5.965 52 HA HIS 9 HA HIS 9 -4.028 -2.544 6.843 53 1HB HIS 9 HB2 HIS 9 -5.484 -2.028 5.131 54 2HB HIS 9 HB1 HIS 9 -4.731 -0.472 5.383 55 HD1 HIS 9 HD1 HIS 9 -3.926 -3.486 3.163 56 HD2 HIS 9 HD2 HIS 9 -4.241 0.645 3.044 57 HE1 HIS 9 HE1 HIS 9 -3.394 -2.845 0.790 58 HE2 HIS 9 HE2 HIS 9 -3.485 -0.327 0.765 59 H CYS 10 HN CYS 10 -1.137 -2.119 5.077 60 HA CYS 10 HA CYS 10 -1.155 -4.972 4.394 61 1HB CYS 10 HB2 CYS 10 -1.590 -3.265 2.420 62 2HB CYS 10 HB1 CYS 10 0.157 -3.072 2.498 63 H LYS 11 HN LYS 11 0.567 -5.972 5.195 64 HA LYS 11 HA LYS 11 2.549 -4.742 6.693 65 1HB LYS 11 HB2 LYS 11 2.785 -7.384 5.243 66 2HB LYS 11 HB1 LYS 11 3.728 -6.871 6.636 67 1HG LYS 11 HG2 LYS 11 1.360 -6.632 7.746 68 2HG LYS 11 HG1 LYS 11 0.902 -7.780 6.487 69 1HD LYS 11 HD2 LYS 11 1.489 -9.079 8.374 70 2HD LYS 11 HD1 LYS 11 2.849 -9.201 7.256 71 1HE LYS 11 HE2 LYS 11 4.223 -7.916 8.573 72 2HE LYS 11 HE1 LYS 11 2.879 -7.054 9.320 73 1HZ LYS 11 HZ1 LYS 11 3.378 -8.394 11.039 74 2HZ LYS 11 HZ2 LYS 11 4.117 -9.570 10.075 75 3HZ LYS 11 HZ3 LYS 11 2.431 -9.520 10.202 76 H GLY 12 HN GLY 12 4.228 -3.517 6.155 77 1HA GLY 12 HA2 GLY 12 5.069 -3.414 3.364 78 2HA GLY 12 HA1 GLY 12 5.511 -2.273 4.624 79 H LYS 13 HN LYS 13 5.832 -5.802 4.390 80 HA LYS 13 HA LYS 13 8.704 -5.466 4.775 81 1HB LYS 13 HB2 LYS 13 6.775 -7.339 6.046 82 2HB LYS 13 HB1 LYS 13 8.411 -7.913 5.751 83 1HG LYS 13 HG2 LYS 13 8.962 -7.001 7.695 84 2HG LYS 13 HG1 LYS 13 8.779 -5.429 6.914 85 1HD LYS 13 HD2 LYS 13 7.337 -5.116 8.644 86 2HD LYS 13 HD1 LYS 13 6.221 -5.884 7.513 87 1HE LYS 13 HE2 LYS 13 5.944 -6.952 9.624 88 2HE LYS 13 HE1 LYS 13 6.798 -8.078 8.570 89 1HZ LYS 13 HZ1 LYS 13 8.091 -6.334 10.597 90 2HZ LYS 13 HZ2 LYS 13 8.864 -7.487 9.631 91 3HZ LYS 13 HZ3 LYS 13 7.751 -7.978 10.807 92 H ASN 14 HN ASN 14 6.197 -7.002 2.997 93 HA ASN 14 HA ASN 14 8.158 -7.992 1.121 94 1HB ASN 14 HB2 ASN 14 7.340 -9.856 2.725 95 2HB ASN 14 HB1 ASN 14 5.815 -9.733 1.853 96 1HD2 ASN 14 1HD2 ASN 14 5.683 -10.450 -0.247 97 2HD2 ASN 14 2HD2 ASN 14 6.920 -11.400 -0.991 98 H ALA 15 HN ALA 15 6.370 -5.749 1.304 99 HA ALA 15 HA ALA 15 5.382 -5.692 -1.304 100 1HB ALA 15 HB1 ALA 15 3.730 -7.265 0.083 101 2HB ALA 15 HB2 ALA 15 3.180 -6.224 -1.230 102 3HB ALA 15 HB3 ALA 15 2.999 -5.701 0.444 103 H LYS 16 HN LYS 16 5.203 -3.612 -1.878 104 HA LYS 16 HA LYS 16 4.921 -1.629 0.276 105 1HB LYS 16 HB2 LYS 16 7.054 -1.438 -0.820 106 2HB LYS 16 HB1 LYS 16 6.292 -1.430 -2.404 107 1HG LYS 16 HG2 LYS 16 5.202 0.717 -1.813 108 2HG LYS 16 HG1 LYS 16 6.111 0.715 -0.300 109 1HD LYS 16 HD2 LYS 16 8.200 0.511 -1.748 110 2HD LYS 16 HD1 LYS 16 7.158 0.927 -3.111 111 1HE LYS 16 HE2 LYS 16 7.801 3.027 -2.566 112 2HE LYS 16 HE1 LYS 16 6.463 2.884 -1.427 113 1HZ LYS 16 HZ1 LYS 16 8.095 3.562 -0.025 114 2HZ LYS 16 HZ2 LYS 16 9.342 2.858 -0.926 115 3HZ LYS 16 HZ3 LYS 16 8.371 1.895 0.068 116 HA PRO 17 HA PRO 17 1.017 -0.552 -1.544 117 1HB PRO 17 HB2 PRO 17 0.640 1.826 -0.288 118 2HB PRO 17 HB1 PRO 17 0.415 0.266 0.508 119 1HG PRO 17 HG2 PRO 17 2.750 2.133 0.620 120 2HG PRO 17 HG1 PRO 17 1.990 1.211 1.930 121 1HD PRO 17 HD2 PRO 17 4.288 0.422 0.720 122 2HD PRO 17 HD1 PRO 17 3.108 -0.727 1.384 123 H THR 18 HN THR 18 0.361 0.518 -3.312 124 HA THR 18 HA THR 18 2.011 2.748 -4.284 125 HB THR 18 HB THR 18 0.803 1.567 -6.483 126 HG1 THR 18 HG1 THR 18 0.660 -0.455 -6.003 127 1HG2 THR 18 1HG2 THR 18 3.639 1.296 -5.555 128 2HG2 THR 18 2HG2 THR 18 2.982 2.622 -6.515 129 3HG2 THR 18 3HG2 THR 18 3.048 0.993 -7.189 130 H CYS 19 HN CYS 19 0.974 4.517 -5.075 131 HA CYS 19 HA CYS 19 -1.960 4.476 -4.880 132 1HB CYS 19 HB2 CYS 19 0.069 6.622 -4.341 133 2HB CYS 19 HB1 CYS 19 -1.595 7.048 -4.724 134 H ASP 20 HN ASP 20 -2.953 4.432 -6.775 135 HA ASP 20 HA ASP 20 -1.850 5.984 -8.987 136 1HB ASP 20 HB2 ASP 20 -1.632 3.369 -9.049 137 2HB ASP 20 HB1 ASP 20 -3.330 3.444 -9.504 138 H ASP 21 HN ASP 21 -3.236 7.648 -9.146 139 HA ASP 21 HA ASP 21 -5.175 8.839 -9.284 140 1HB ASP 21 HB2 ASP 21 -5.701 6.337 -10.829 141 2HB ASP 21 HB1 ASP 21 -7.041 7.443 -10.547 142 H GLY 22 HN GLY 22 -4.906 7.952 -6.801 143 1HA GLY 22 HA2 GLY 22 -6.101 7.719 -4.873 144 2HA GLY 22 HA1 GLY 22 -7.547 7.839 -5.851 145 H VAL 23 HN VAL 23 -5.382 5.390 -6.820 146 HA VAL 23 HA VAL 23 -7.115 3.366 -5.566 147 HB VAL 23 HB VAL 23 -5.399 3.020 -8.026 148 1HG1 VAL 23 1HG1 VAL 23 -6.364 1.095 -6.398 149 2HG1 VAL 23 2HG1 VAL 23 -6.113 0.884 -8.131 150 3HG1 VAL 23 3HG1 VAL 23 -7.717 1.279 -7.513 151 1HG2 VAL 23 1HG2 VAL 23 -7.354 3.286 -9.364 152 2HG2 VAL 23 2HG2 VAL 23 -7.249 4.690 -8.303 153 3HG2 VAL 23 3HG2 VAL 23 -8.387 3.393 -7.939 154 H CYS 24 HN CYS 24 -6.070 2.875 -3.696 155 HA CYS 24 HA CYS 24 -3.204 2.538 -3.621 156 1HB CYS 24 HB2 CYS 24 -4.961 3.324 -1.745 157 2HB CYS 24 HB1 CYS 24 -4.879 1.610 -1.352 158 H ASN 25 HN ASN 25 -2.077 0.669 -3.633 159 HA ASN 25 HA ASN 25 -3.319 -1.877 -3.170 160 1HB ASN 25 HB2 ASN 25 -2.837 -2.814 -5.397 161 2HB ASN 25 HB1 ASN 25 -4.015 -1.508 -5.485 162 1HD2 ASN 25 1HD2 ASN 25 -3.597 0.211 -6.728 163 2HD2 ASN 25 2HD2 ASN 25 -2.125 0.465 -7.598 164 H CYS 26 HN CYS 26 -1.858 -3.057 -2.143 165 HA CYS 26 HA CYS 26 0.961 -2.346 -2.350 166 1HB CYS 26 HB2 CYS 26 1.220 -3.918 -0.415 167 2HB CYS 26 HB1 CYS 26 0.137 -2.566 -0.104 168 H ASN 27 HN ASN 27 2.324 -3.423 -3.604 169 HA ASN 27 HA ASN 27 1.644 -6.180 -4.373 170 1HB ASN 27 HB2 ASN 27 2.911 -3.999 -6.024 171 2HB ASN 27 HB1 ASN 27 2.903 -5.693 -6.507 172 1HD2 ASN 27 1HD2 ASN 27 1.362 -2.823 -6.853 173 2HD2 ASN 27 2HD2 ASN 27 -0.193 -3.384 -7.355 174 H VAL 28 HN VAL 28 4.536 -4.274 -4.956 175 HA VAL 28 HA VAL 28 6.062 -5.999 -3.147 176 HB VAL 28 HB VAL 28 6.986 -5.425 -5.962 177 1HG1 VAL 28 1HG1 VAL 28 8.658 -5.826 -4.076 178 2HG1 VAL 28 2HG1 VAL 28 8.804 -6.836 -5.514 179 3HG1 VAL 28 3HG1 VAL 28 8.055 -7.483 -4.054 180 1HG2 VAL 28 1HG2 VAL 28 6.403 -7.643 -6.575 181 2HG2 VAL 28 2HG2 VAL 28 4.973 -6.934 -5.825 182 3HG2 VAL 28 3HG2 VAL 28 5.978 -8.062 -4.916 Start of MODEL 23 1 1H VAL 1 HT1 VAL 1 -9.252 0.647 0.194 2 2H VAL 1 HT2 VAL 1 -8.550 1.850 -0.809 3 3H VAL 1 HT3 VAL 1 -9.924 2.224 0.150 4 HA VAL 1 HA VAL 1 -8.775 2.294 2.060 5 HB VAL 1 HB VAL 1 -6.449 1.345 2.259 6 1HG1 VAL 1 1HG1 VAL 1 -8.958 -0.180 1.990 7 2HG1 VAL 1 2HG1 VAL 1 -7.849 -0.046 3.355 8 3HG1 VAL 1 3HG1 VAL 1 -7.473 -1.131 2.016 9 1HG2 VAL 1 1HG2 VAL 1 -7.132 0.443 -0.501 10 2HG2 VAL 1 2HG2 VAL 1 -6.128 -0.587 0.520 11 3HG2 VAL 1 3HG2 VAL 1 -5.606 1.054 0.139 12 H GLY 2 HN GLY 2 -7.279 3.870 2.754 13 1HA GLY 2 HA2 GLY 2 -6.776 5.930 0.888 14 2HA GLY 2 HA1 GLY 2 -6.159 5.863 2.532 15 H CYS 3 HN CYS 3 -4.477 6.984 0.901 16 HA CYS 3 HA CYS 3 -2.673 4.954 -0.187 17 1HB CYS 3 HB2 CYS 3 -3.362 7.077 -1.461 18 2HB CYS 3 HB1 CYS 3 -2.287 7.937 -0.364 19 H GLU 4 HN GLU 4 -2.910 7.348 2.347 20 HA GLU 4 HA GLU 4 -0.164 6.801 3.190 21 1HB GLU 4 HB2 GLU 4 -2.154 8.911 3.982 22 2HB GLU 4 HB1 GLU 4 -0.631 8.680 4.830 23 1HG GLU 4 HG2 GLU 4 0.627 9.451 3.066 24 2HG GLU 4 HG1 GLU 4 -0.615 9.067 1.875 25 H GLU 5 HN GLU 5 -3.009 5.422 3.648 26 HA GLU 5 HA GLU 5 -2.450 4.735 6.447 27 1HB GLU 5 HB2 GLU 5 -5.137 4.806 5.076 28 2HB GLU 5 HB1 GLU 5 -4.853 4.317 6.740 29 1HG GLU 5 HG2 GLU 5 -3.702 6.884 6.360 30 2HG GLU 5 HG1 GLU 5 -5.342 6.907 5.714 31 H CYS 6 HN CYS 6 -1.734 3.520 3.697 32 HA CYS 6 HA CYS 6 -3.040 0.969 3.773 33 1HB CYS 6 HB2 CYS 6 -1.105 2.312 1.992 34 2HB CYS 6 HB1 CYS 6 -1.024 0.554 2.041 35 HA PRO 7 HA PRO 7 1.635 -0.181 5.065 36 1HB PRO 7 HB2 PRO 7 1.762 2.197 6.876 37 2HB PRO 7 HB1 PRO 7 3.067 1.370 6.016 38 1HG PRO 7 HG2 PRO 7 2.107 3.692 5.122 39 2HG PRO 7 HG1 PRO 7 2.574 2.402 3.998 40 1HD PRO 7 HD2 PRO 7 -0.145 3.311 4.807 41 2HD PRO 7 HD1 PRO 7 0.398 2.627 3.268 42 H MET 8 HN MET 8 -0.965 1.324 6.830 43 HA MET 8 HA MET 8 -0.564 -0.123 9.277 44 1HB MET 8 HB2 MET 8 -2.818 1.567 8.190 45 2HB MET 8 HB1 MET 8 -2.888 0.789 9.767 46 1HG MET 8 HG2 MET 8 -2.193 2.951 10.242 47 2HG MET 8 HG1 MET 8 -0.700 2.014 10.267 48 1HE MET 8 HE1 MET 8 1.003 3.821 9.936 49 2HE MET 8 HE2 MET 8 1.486 4.189 8.280 50 3HE MET 8 HE3 MET 8 1.346 2.511 8.806 51 H HIS 9 HN HIS 9 -2.658 -0.364 6.454 52 HA HIS 9 HA HIS 9 -4.049 -2.667 7.501 53 1HB HIS 9 HB2 HIS 9 -5.587 -2.273 5.863 54 2HB HIS 9 HB1 HIS 9 -4.845 -0.694 5.882 55 HD1 HIS 9 HD1 HIS 9 -4.089 -3.946 4.010 56 HD2 HIS 9 HD2 HIS 9 -4.530 0.131 3.399 57 HE1 HIS 9 HE1 HIS 9 -3.712 -3.599 1.548 58 HE2 HIS 9 HE2 HIS 9 -4.099 -1.136 1.180 59 H CYS 10 HN CYS 10 -1.814 -2.020 4.809 60 HA CYS 10 HA CYS 10 -1.553 -4.870 4.297 61 1HB CYS 10 HB2 CYS 10 -1.472 -2.680 2.650 62 2HB CYS 10 HB1 CYS 10 0.238 -3.045 2.848 63 H LYS 11 HN LYS 11 0.762 -5.658 3.880 64 HA LYS 11 HA LYS 11 2.232 -5.320 6.326 65 1HB LYS 11 HB2 LYS 11 2.760 -6.964 3.848 66 2HB LYS 11 HB1 LYS 11 3.802 -6.978 5.264 67 1HG LYS 11 HG2 LYS 11 0.953 -7.475 5.794 68 2HG LYS 11 HG1 LYS 11 1.782 -8.711 4.846 69 1HD LYS 11 HD2 LYS 11 3.541 -8.069 6.922 70 2HD LYS 11 HD1 LYS 11 1.945 -8.144 7.671 71 1HE LYS 11 HE2 LYS 11 3.048 -10.292 5.870 72 2HE LYS 11 HE1 LYS 11 3.215 -10.312 7.626 73 1HZ LYS 11 HZ1 LYS 11 0.901 -10.498 7.897 74 2HZ LYS 11 HZ2 LYS 11 1.293 -11.601 6.676 75 3HZ LYS 11 HZ3 LYS 11 0.584 -10.118 6.279 76 H GLY 12 HN GLY 12 4.607 -4.943 6.315 77 1HA GLY 12 HA2 GLY 12 5.402 -3.038 4.205 78 2HA GLY 12 HA1 GLY 12 5.621 -2.649 5.905 79 H LYS 13 HN LYS 13 6.267 -5.552 3.942 80 HA LYS 13 HA LYS 13 9.093 -5.265 4.386 81 1HB LYS 13 HB2 LYS 13 7.835 -6.594 6.325 82 2HB LYS 13 HB1 LYS 13 8.033 -7.919 5.187 83 1HG LYS 13 HG2 LYS 13 9.987 -8.190 6.259 84 2HG LYS 13 HG1 LYS 13 10.527 -6.914 5.166 85 1HD LYS 13 HD2 LYS 13 10.046 -5.239 6.879 86 2HD LYS 13 HD1 LYS 13 9.482 -6.507 7.969 87 1HE LYS 13 HE2 LYS 13 11.597 -6.446 8.735 88 2HE LYS 13 HE1 LYS 13 11.930 -7.454 7.328 89 1HZ LYS 13 HZ1 LYS 13 12.137 -5.033 6.255 90 2HZ LYS 13 HZ2 LYS 13 13.448 -5.862 6.929 91 3HZ LYS 13 HZ3 LYS 13 12.638 -4.684 7.834 92 H ASN 14 HN ASN 14 6.423 -6.807 2.823 93 HA ASN 14 HA ASN 14 8.191 -7.587 0.667 94 1HB ASN 14 HB2 ASN 14 6.397 -9.384 2.220 95 2HB ASN 14 HB1 ASN 14 6.461 -9.621 0.476 96 1HD2 ASN 14 1HD2 ASN 14 7.260 -11.693 1.797 97 2HD2 ASN 14 2HD2 ASN 14 8.981 -11.846 1.837 98 H ALA 15 HN ALA 15 6.446 -5.371 1.164 99 HA ALA 15 HA ALA 15 5.019 -5.395 -1.309 100 1HB ALA 15 HB1 ALA 15 3.573 -5.896 1.196 101 2HB ALA 15 HB2 ALA 15 3.131 -6.281 -0.467 102 3HB ALA 15 HB3 ALA 15 2.873 -4.653 0.160 103 H LYS 16 HN LYS 16 5.264 -3.418 -2.126 104 HA LYS 16 HA LYS 16 5.701 -1.195 -0.264 105 1HB LYS 16 HB2 LYS 16 7.556 -1.356 -1.683 106 2HB LYS 16 HB1 LYS 16 6.566 -1.682 -3.098 107 1HG LYS 16 HG2 LYS 16 5.910 0.573 -3.281 108 2HG LYS 16 HG1 LYS 16 6.502 0.956 -1.663 109 1HD LYS 16 HD2 LYS 16 8.031 1.816 -3.341 110 2HD LYS 16 HD1 LYS 16 8.802 0.521 -2.421 111 1HE LYS 16 HE2 LYS 16 7.371 -0.324 -4.852 112 2HE LYS 16 HE1 LYS 16 8.797 0.678 -5.122 113 1HZ LYS 16 HZ1 LYS 16 8.603 -2.037 -4.112 114 2HZ LYS 16 HZ2 LYS 16 9.742 -1.053 -3.340 115 3HZ LYS 16 HZ3 LYS 16 9.833 -1.300 -5.011 116 HA PRO 17 HA PRO 17 1.677 0.395 -1.282 117 1HB PRO 17 HB2 PRO 17 2.790 3.014 -0.495 118 2HB PRO 17 HB1 PRO 17 1.427 2.121 0.186 119 1HG PRO 17 HG2 PRO 17 3.753 2.350 1.500 120 2HG PRO 17 HG1 PRO 17 2.772 0.876 1.590 121 1HD PRO 17 HD2 PRO 17 5.252 1.411 0.001 122 2HD PRO 17 HD1 PRO 17 4.762 -0.057 0.872 123 H THR 18 HN THR 18 0.837 1.108 -3.143 124 HA THR 18 HA THR 18 2.430 2.933 -4.798 125 HB THR 18 HB THR 18 2.216 0.363 -5.449 126 HG1 THR 18 HG1 THR 18 2.743 1.011 -7.505 127 1HG2 THR 18 1HG2 THR 18 -0.225 0.398 -5.629 128 2HG2 THR 18 2HG2 THR 18 0.560 0.016 -7.161 129 3HG2 THR 18 3HG2 THR 18 -0.094 1.630 -6.881 130 H CYS 19 HN CYS 19 1.388 4.713 -5.401 131 HA CYS 19 HA CYS 19 -1.501 4.834 -4.951 132 1HB CYS 19 HB2 CYS 19 0.557 6.576 -4.299 133 2HB CYS 19 HB1 CYS 19 -0.244 7.350 -5.660 134 H ASP 20 HN ASP 20 -2.809 4.626 -6.634 135 HA ASP 20 HA ASP 20 -1.937 5.622 -9.236 136 1HB ASP 20 HB2 ASP 20 -2.012 3.030 -8.831 137 2HB ASP 20 HB1 ASP 20 -3.744 3.254 -9.040 138 H ASP 21 HN ASP 21 -3.131 7.443 -9.416 139 HA ASP 21 HA ASP 21 -4.931 8.837 -9.499 140 1HB ASP 21 HB2 ASP 21 -5.913 6.233 -10.560 141 2HB ASP 21 HB1 ASP 21 -7.116 7.473 -10.219 142 H GLY 22 HN GLY 22 -4.377 8.316 -6.965 143 1HA GLY 22 HA2 GLY 22 -5.260 8.489 -4.873 144 2HA GLY 22 HA1 GLY 22 -6.816 8.704 -5.646 145 H VAL 23 HN VAL 23 -5.216 5.843 -6.556 146 HA VAL 23 HA VAL 23 -6.895 4.296 -4.692 147 HB VAL 23 HB VAL 23 -5.948 3.430 -7.426 148 1HG1 VAL 23 1HG1 VAL 23 -6.354 1.445 -6.378 149 2HG1 VAL 23 2HG1 VAL 23 -7.990 1.818 -6.922 150 3HG1 VAL 23 3HG1 VAL 23 -7.518 2.148 -5.255 151 1HG2 VAL 23 1HG2 VAL 23 -8.023 3.987 -8.325 152 2HG2 VAL 23 2HG2 VAL 23 -7.643 5.365 -7.292 153 3HG2 VAL 23 3HG2 VAL 23 -8.779 4.135 -6.738 154 H CYS 24 HN CYS 24 -5.552 3.700 -3.084 155 HA CYS 24 HA CYS 24 -2.796 3.173 -3.384 156 1HB CYS 24 HB2 CYS 24 -3.914 3.800 -1.240 157 2HB CYS 24 HB1 CYS 24 -4.628 2.192 -1.186 158 H ASN 25 HN ASN 25 -1.660 1.190 -3.282 159 HA ASN 25 HA ASN 25 -3.047 -1.307 -3.471 160 1HB ASN 25 HB2 ASN 25 -2.450 0.111 -5.876 161 2HB ASN 25 HB1 ASN 25 -1.466 -1.345 -5.811 162 1HD2 ASN 25 1HD2 ASN 25 -2.671 -2.129 -7.595 163 2HD2 ASN 25 2HD2 ASN 25 -4.243 -2.808 -7.367 164 H CYS 26 HN CYS 26 -1.831 -2.775 -2.522 165 HA CYS 26 HA CYS 26 1.085 -2.356 -2.438 166 1HB CYS 26 HB2 CYS 26 0.952 -3.741 -0.301 167 2HB CYS 26 HB1 CYS 26 0.292 -2.111 -0.222 168 H ASN 27 HN ASN 27 2.247 -3.816 -3.493 169 HA ASN 27 HA ASN 27 1.128 -6.514 -3.847 170 1HB ASN 27 HB2 ASN 27 2.573 -4.749 -5.795 171 2HB ASN 27 HB1 ASN 27 2.586 -6.499 -5.988 172 1HD2 ASN 27 1HD2 ASN 27 1.082 -3.770 -6.931 173 2HD2 ASN 27 2HD2 ASN 27 -0.463 -4.410 -7.364 174 H VAL 28 HN VAL 28 4.285 -5.259 -4.721 175 HA VAL 28 HA VAL 28 5.536 -6.825 -2.588 176 HB VAL 28 HB VAL 28 6.460 -7.030 -5.454 177 1HG1 VAL 28 1HG1 VAL 28 7.877 -8.820 -4.622 178 2HG1 VAL 28 2HG1 VAL 28 7.232 -8.598 -2.995 179 3HG1 VAL 28 3HG1 VAL 28 8.196 -7.324 -3.743 180 1HG2 VAL 28 1HG2 VAL 28 4.511 -8.245 -5.575 181 2HG2 VAL 28 2HG2 VAL 28 4.566 -8.708 -3.874 182 3HG2 VAL 28 3HG2 VAL 28 5.642 -9.485 -5.035 Start of MODEL 24 1 1H VAL 1 HT1 VAL 1 -6.908 1.305 4.683 2 2H VAL 1 HT2 VAL 1 -8.560 0.849 4.591 3 3H VAL 1 HT3 VAL 1 -8.128 2.410 5.160 4 HA VAL 1 HA VAL 1 -7.392 1.490 2.484 5 HB VAL 1 HB VAL 1 -9.423 2.800 1.714 6 1HG1 VAL 1 1HG1 VAL 1 -10.848 0.894 1.766 7 2HG1 VAL 1 2HG1 VAL 1 -10.069 0.275 3.223 8 3HG1 VAL 1 3HG1 VAL 1 -9.188 0.301 1.695 9 1HG2 VAL 1 1HG2 VAL 1 -10.731 2.153 4.298 10 2HG2 VAL 1 2HG2 VAL 1 -11.080 3.437 3.140 11 3HG2 VAL 1 3HG2 VAL 1 -9.707 3.588 4.236 12 H GLY 2 HN GLY 2 -6.861 3.252 1.114 13 1HA GLY 2 HA2 GLY 2 -6.866 5.789 1.029 14 2HA GLY 2 HA1 GLY 2 -6.120 5.683 2.617 15 H CYS 3 HN CYS 3 -4.648 7.094 1.085 16 HA CYS 3 HA CYS 3 -2.698 5.338 -0.240 17 1HB CYS 3 HB2 CYS 3 -3.749 7.270 -1.513 18 2HB CYS 3 HB1 CYS 3 -2.847 8.345 -0.452 19 H GLU 4 HN GLU 4 -3.083 7.789 2.239 20 HA GLU 4 HA GLU 4 -0.247 7.722 2.880 21 1HB GLU 4 HB2 GLU 4 -2.539 9.309 4.017 22 2HB GLU 4 HB1 GLU 4 -0.885 9.431 4.601 23 1HG GLU 4 HG2 GLU 4 -0.213 10.665 2.846 24 2HG GLU 4 HG1 GLU 4 -1.233 9.791 1.704 25 H GLU 5 HN GLU 5 -2.685 5.754 3.509 26 HA GLU 5 HA GLU 5 -1.815 5.174 6.252 27 1HB GLU 5 HB2 GLU 5 -4.473 4.895 4.904 28 2HB GLU 5 HB1 GLU 5 -4.072 3.856 6.265 29 1HG GLU 5 HG2 GLU 5 -3.393 6.301 7.235 30 2HG GLU 5 HG1 GLU 5 -4.764 6.697 6.199 31 H CYS 6 HN CYS 6 -1.730 4.063 3.071 32 HA CYS 6 HA CYS 6 -1.989 1.353 3.159 33 1HB CYS 6 HB2 CYS 6 -0.592 3.253 1.493 34 2HB CYS 6 HB1 CYS 6 0.310 1.748 1.619 35 HA PRO 7 HA PRO 7 2.808 1.180 4.534 36 1HB PRO 7 HB2 PRO 7 2.436 3.520 6.358 37 2HB PRO 7 HB1 PRO 7 3.886 2.980 5.504 38 1HG PRO 7 HG2 PRO 7 2.462 5.057 4.614 39 2HG PRO 7 HG1 PRO 7 3.213 3.908 3.493 40 1HD PRO 7 HD2 PRO 7 0.352 4.228 4.230 41 2HD PRO 7 HD1 PRO 7 1.066 3.638 2.723 42 H MET 8 HN MET 8 -0.048 2.050 6.370 43 HA MET 8 HA MET 8 0.783 0.209 8.509 44 1HB MET 8 HB2 MET 8 0.045 2.769 8.827 45 2HB MET 8 HB1 MET 8 -1.539 2.010 8.913 46 1HG MET 8 HG2 MET 8 -1.166 1.201 10.951 47 2HG MET 8 HG1 MET 8 0.456 0.652 10.534 48 1HE MET 8 HE1 MET 8 2.351 4.114 10.706 49 2HE MET 8 HE2 MET 8 1.904 2.867 9.542 50 3HE MET 8 HE3 MET 8 2.777 2.430 11.011 51 H HIS 9 HN HIS 9 -1.707 0.925 6.155 52 HA HIS 9 HA HIS 9 -3.362 -1.250 7.178 53 1HB HIS 9 HB2 HIS 9 -5.143 -0.362 5.974 54 2HB HIS 9 HB1 HIS 9 -4.252 1.064 6.459 55 HD1 HIS 9 HD1 HIS 9 -4.127 -1.219 3.389 56 HD2 HIS 9 HD2 HIS 9 -4.263 2.791 4.440 57 HE1 HIS 9 HE1 HIS 9 -4.128 0.041 1.216 58 HE2 HIS 9 HE2 HIS 9 -4.318 2.465 1.875 59 H CYS 10 HN CYS 10 -0.722 -1.376 5.510 60 HA CYS 10 HA CYS 10 -1.704 -3.523 3.774 61 1HB CYS 10 HB2 CYS 10 -0.751 -1.067 2.803 62 2HB CYS 10 HB1 CYS 10 0.566 -2.208 2.557 63 H LYS 11 HN LYS 11 -0.954 -4.870 5.509 64 HA LYS 11 HA LYS 11 1.728 -4.891 6.403 65 1HB LYS 11 HB2 LYS 11 -0.206 -7.212 6.363 66 2HB LYS 11 HB1 LYS 11 1.205 -7.032 7.397 67 1HG LYS 11 HG2 LYS 11 -0.761 -4.858 7.585 68 2HG LYS 11 HG1 LYS 11 -1.322 -6.437 8.139 69 1HD LYS 11 HD2 LYS 11 -0.399 -5.506 10.058 70 2HD LYS 11 HD1 LYS 11 0.910 -6.515 9.439 71 1HE LYS 11 HE2 LYS 11 2.208 -4.738 8.903 72 2HE LYS 11 HE1 LYS 11 0.830 -3.730 8.461 73 1HZ LYS 11 HZ1 LYS 11 1.999 -4.203 11.122 74 2HZ LYS 11 HZ2 LYS 11 0.377 -3.741 10.984 75 3HZ LYS 11 HZ3 LYS 11 1.596 -2.738 10.377 76 H GLY 12 HN GLY 12 3.232 -6.753 6.074 77 1HA GLY 12 HA2 GLY 12 3.376 -8.641 4.231 78 2HA GLY 12 HA1 GLY 12 3.507 -7.216 3.214 79 H LYS 13 HN LYS 13 5.075 -5.584 4.728 80 HA LYS 13 HA LYS 13 7.166 -5.125 5.479 81 1HB LYS 13 HB2 LYS 13 6.809 -7.264 6.752 82 2HB LYS 13 HB1 LYS 13 7.673 -8.067 5.454 83 1HG LYS 13 HG2 LYS 13 9.269 -7.696 7.148 84 2HG LYS 13 HG1 LYS 13 9.587 -6.477 5.911 85 1HD LYS 13 HD2 LYS 13 7.682 -5.650 7.986 86 2HD LYS 13 HD1 LYS 13 9.318 -5.961 8.571 87 1HE LYS 13 HE2 LYS 13 10.247 -4.309 7.216 88 2HE LYS 13 HE1 LYS 13 8.852 -4.276 6.138 89 1HZ LYS 13 HZ1 LYS 13 7.734 -2.879 7.483 90 2HZ LYS 13 HZ2 LYS 13 9.281 -2.459 8.020 91 3HZ LYS 13 HZ3 LYS 13 8.347 -3.554 8.909 92 H ASN 14 HN ASN 14 6.435 -6.951 2.758 93 HA ASN 14 HA ASN 14 8.820 -5.995 1.416 94 1HB ASN 14 HB2 ASN 14 8.661 -8.619 2.129 95 2HB ASN 14 HB1 ASN 14 7.925 -8.662 0.530 96 1HD2 ASN 14 1HD2 ASN 14 10.728 -7.257 2.189 97 2HD2 ASN 14 2HD2 ASN 14 11.847 -7.542 0.903 98 H ALA 15 HN ALA 15 6.165 -5.017 1.485 99 HA ALA 15 HA ALA 15 5.484 -5.282 -1.353 100 1HB ALA 15 HB1 ALA 15 3.205 -4.905 0.480 101 2HB ALA 15 HB2 ALA 15 3.961 -6.499 0.498 102 3HB ALA 15 HB3 ALA 15 3.323 -5.843 -1.010 103 H LYS 16 HN LYS 16 5.903 -3.328 -2.161 104 HA LYS 16 HA LYS 16 5.592 -0.953 -0.544 105 1HB LYS 16 HB2 LYS 16 7.525 -1.043 -1.954 106 2HB LYS 16 HB1 LYS 16 6.545 -1.373 -3.374 107 1HG LYS 16 HG2 LYS 16 7.065 0.857 -3.631 108 2HG LYS 16 HG1 LYS 16 5.479 0.935 -2.864 109 1HD LYS 16 HD2 LYS 16 6.539 2.383 -1.486 110 2HD LYS 16 HD1 LYS 16 7.038 0.896 -0.677 111 1HE LYS 16 HE2 LYS 16 8.735 1.791 -2.919 112 2HE LYS 16 HE1 LYS 16 8.753 2.810 -1.481 113 1HZ LYS 16 HZ1 LYS 16 9.424 0.959 -0.156 114 2HZ LYS 16 HZ2 LYS 16 10.467 1.047 -1.484 115 3HZ LYS 16 HZ3 LYS 16 9.241 -0.118 -1.448 116 HA PRO 17 HA PRO 17 1.443 -0.208 -1.953 117 1HB PRO 17 HB2 PRO 17 1.155 2.292 -0.964 118 2HB PRO 17 HB1 PRO 17 1.133 0.852 0.061 119 1HG PRO 17 HG2 PRO 17 3.372 2.771 -0.463 120 2HG PRO 17 HG1 PRO 17 2.854 2.049 1.072 121 1HD PRO 17 HD2 PRO 17 4.974 1.119 -0.352 122 2HD PRO 17 HD1 PRO 17 3.956 0.071 0.657 123 H THR 18 HN THR 18 0.490 0.690 -3.698 124 HA THR 18 HA THR 18 1.985 2.738 -5.185 125 HB THR 18 HB THR 18 0.398 1.319 -6.984 126 HG1 THR 18 HG1 THR 18 0.374 -0.435 -5.580 127 1HG2 THR 18 1HG2 THR 18 2.390 0.847 -8.130 128 2HG2 THR 18 2HG2 THR 18 3.349 0.991 -6.656 129 3HG2 THR 18 3HG2 THR 18 2.605 2.424 -7.369 130 H CYS 19 HN CYS 19 0.910 4.547 -5.597 131 HA CYS 19 HA CYS 19 -1.961 4.573 -5.066 132 1HB CYS 19 HB2 CYS 19 -0.004 6.257 -4.213 133 2HB CYS 19 HB1 CYS 19 -0.621 7.133 -5.607 134 H ASP 20 HN ASP 20 -3.219 4.274 -6.776 135 HA ASP 20 HA ASP 20 -2.565 5.662 -9.258 136 1HB ASP 20 HB2 ASP 20 -2.228 3.060 -9.142 137 2HB ASP 20 HB1 ASP 20 -3.978 3.034 -9.321 138 H ASP 21 HN ASP 21 -4.043 7.254 -9.318 139 HA ASP 21 HA ASP 21 -6.038 8.353 -9.231 140 1HB ASP 21 HB2 ASP 21 -6.640 5.722 -10.493 141 2HB ASP 21 HB1 ASP 21 -8.006 6.734 -10.032 142 H GLY 22 HN GLY 22 -5.328 7.702 -6.763 143 1HA GLY 22 HA2 GLY 22 -6.179 7.591 -4.651 144 2HA GLY 22 HA1 GLY 22 -7.769 7.579 -5.383 145 H VAL 23 HN VAL 23 -5.680 5.126 -6.501 146 HA VAL 23 HA VAL 23 -7.075 3.166 -4.802 147 HB VAL 23 HB VAL 23 -5.827 2.667 -7.505 148 1HG1 VAL 23 1HG1 VAL 23 -7.587 0.691 -7.202 149 2HG1 VAL 23 2HG1 VAL 23 -7.225 0.990 -5.502 150 3HG1 VAL 23 3HG1 VAL 23 -5.925 0.576 -6.621 151 1HG2 VAL 23 1HG2 VAL 23 -7.843 4.249 -7.426 152 2HG2 VAL 23 2HG2 VAL 23 -8.775 2.824 -6.968 153 3HG2 VAL 23 3HG2 VAL 23 -7.927 2.864 -8.514 154 H CYS 24 HN CYS 24 -5.685 2.868 -3.126 155 HA CYS 24 HA CYS 24 -2.842 2.581 -3.591 156 1HB CYS 24 HB2 CYS 24 -4.087 3.663 -1.536 157 2HB CYS 24 HB1 CYS 24 -4.119 2.003 -0.949 158 H ASN 25 HN ASN 25 -1.673 0.722 -3.515 159 HA ASN 25 HA ASN 25 -2.786 -1.748 -2.560 160 1HB ASN 25 HB2 ASN 25 -2.653 -2.950 -4.701 161 2HB ASN 25 HB1 ASN 25 -3.836 -1.648 -4.771 162 1HD2 ASN 25 1HD2 ASN 25 -3.223 0.318 -5.839 163 2HD2 ASN 25 2HD2 ASN 25 -2.055 0.278 -7.111 164 H CYS 26 HN CYS 26 -1.156 -2.768 -1.614 165 HA CYS 26 HA CYS 26 1.582 -2.119 -2.384 166 1HB CYS 26 HB2 CYS 26 2.182 -3.378 -0.305 167 2HB CYS 26 HB1 CYS 26 1.135 -1.991 -0.026 168 H ASN 27 HN ASN 27 2.835 -3.429 -3.542 169 HA ASN 27 HA ASN 27 1.957 -6.212 -3.919 170 1HB ASN 27 HB2 ASN 27 3.250 -4.299 -5.852 171 2HB ASN 27 HB1 ASN 27 3.200 -6.036 -6.136 172 1HD2 ASN 27 1HD2 ASN 27 2.000 -3.884 -7.667 173 2HD2 ASN 27 2HD2 ASN 27 0.303 -4.205 -7.707 174 H VAL 28 HN VAL 28 4.949 -4.634 -4.856 175 HA VAL 28 HA VAL 28 6.440 -6.163 -2.863 176 HB VAL 28 HB VAL 28 7.196 -6.254 -5.784 177 1HG1 VAL 28 1HG1 VAL 28 8.391 -7.276 -3.263 178 2HG1 VAL 28 2HG1 VAL 28 9.172 -6.613 -4.698 179 3HG1 VAL 28 3HG1 VAL 28 8.545 -8.261 -4.717 180 1HG2 VAL 28 1HG2 VAL 28 5.873 -8.378 -4.098 181 2HG2 VAL 28 2HG2 VAL 28 6.488 -8.604 -5.735 182 3HG2 VAL 28 3HG2 VAL 28 5.138 -7.507 -5.445 Start of MODEL 25 1 1H VAL 1 HT1 VAL 1 -9.577 3.298 1.252 2 2H VAL 1 HT2 VAL 1 -9.883 2.119 2.461 3 3H VAL 1 HT3 VAL 1 -8.548 1.936 1.398 4 HA VAL 1 HA VAL 1 -8.933 3.863 3.571 5 HB VAL 1 HB VAL 1 -6.506 2.191 2.995 6 1HG1 VAL 1 1HG1 VAL 1 -6.471 2.354 5.581 7 2HG1 VAL 1 2HG1 VAL 1 -7.615 3.675 5.343 8 3HG1 VAL 1 3HG1 VAL 1 -6.007 3.760 4.623 9 1HG2 VAL 1 1HG2 VAL 1 -7.507 0.613 4.765 10 2HG2 VAL 1 2HG2 VAL 1 -8.093 0.485 3.107 11 3HG2 VAL 1 3HG2 VAL 1 -9.056 1.330 4.318 12 H GLY 2 HN GLY 2 -7.053 5.338 3.854 13 1HA GLY 2 HA2 GLY 2 -6.652 6.868 1.499 14 2HA GLY 2 HA1 GLY 2 -5.869 7.136 3.049 15 H CYS 3 HN CYS 3 -4.381 7.649 0.912 16 HA CYS 3 HA CYS 3 -2.865 5.318 0.112 17 1HB CYS 3 HB2 CYS 3 -3.412 7.495 -1.264 18 2HB CYS 3 HB1 CYS 3 -1.975 8.118 -0.461 19 H GLU 4 HN GLU 4 -2.620 7.904 2.426 20 HA GLU 4 HA GLU 4 0.167 7.367 2.994 21 1HB GLU 4 HB2 GLU 4 -1.267 9.626 3.166 22 2HB GLU 4 HB1 GLU 4 -1.448 9.049 4.816 23 1HG GLU 4 HG2 GLU 4 1.242 9.270 3.517 24 2HG GLU 4 HG1 GLU 4 0.475 10.647 4.307 25 H GLU 5 HN GLU 5 -2.506 5.751 3.672 26 HA GLU 5 HA GLU 5 -1.674 5.005 6.386 27 1HB GLU 5 HB2 GLU 5 -4.341 5.031 5.029 28 2HB GLU 5 HB1 GLU 5 -4.055 3.919 6.361 29 1HG GLU 5 HG2 GLU 5 -3.757 6.912 6.475 30 2HG GLU 5 HG1 GLU 5 -5.113 5.981 7.111 31 H CYS 6 HN CYS 6 -1.470 3.982 3.237 32 HA CYS 6 HA CYS 6 -2.038 1.252 3.424 33 1HB CYS 6 HB2 CYS 6 -0.017 2.565 1.623 34 2HB CYS 6 HB1 CYS 6 -0.799 1.010 1.360 35 HA PRO 7 HA PRO 7 2.840 1.002 4.341 36 1HB PRO 7 HB2 PRO 7 2.724 3.250 6.293 37 2HB PRO 7 HB1 PRO 7 4.036 2.763 5.215 38 1HG PRO 7 HG2 PRO 7 2.527 4.903 4.677 39 2HG PRO 7 HG1 PRO 7 3.114 3.838 3.387 40 1HD PRO 7 HD2 PRO 7 0.381 4.065 4.554 41 2HD PRO 7 HD1 PRO 7 0.871 3.670 2.900 42 H MET 8 HN MET 8 0.126 1.814 6.381 43 HA MET 8 HA MET 8 1.109 -0.038 8.443 44 1HB MET 8 HB2 MET 8 0.396 2.475 8.884 45 2HB MET 8 HB1 MET 8 -1.213 1.767 8.933 46 1HG MET 8 HG2 MET 8 -0.788 0.580 10.842 47 2HG MET 8 HG1 MET 8 0.949 0.520 10.548 48 1HE MET 8 HE1 MET 8 -1.505 3.765 12.568 49 2HE MET 8 HE2 MET 8 -2.073 2.445 11.545 50 3HE MET 8 HE3 MET 8 -1.463 3.929 10.812 51 H HIS 9 HN HIS 9 -1.611 0.712 6.329 52 HA HIS 9 HA HIS 9 -3.119 -1.536 7.392 53 1HB HIS 9 HB2 HIS 9 -4.989 -0.711 6.253 54 2HB HIS 9 HB1 HIS 9 -4.137 0.731 6.767 55 HD1 HIS 9 HD1 HIS 9 -3.946 -1.415 3.599 56 HD2 HIS 9 HD2 HIS 9 -4.355 2.531 4.815 57 HE1 HIS 9 HE1 HIS 9 -4.084 -0.073 1.481 58 HE2 HIS 9 HE2 HIS 9 -4.461 2.298 2.243 59 H CYS 10 HN CYS 10 -0.571 -1.683 5.661 60 HA CYS 10 HA CYS 10 -1.633 -3.754 3.875 61 1HB CYS 10 HB2 CYS 10 -0.800 -1.393 2.858 62 2HB CYS 10 HB1 CYS 10 0.728 -2.267 2.884 63 H LYS 11 HN LYS 11 -0.957 -5.139 5.646 64 HA LYS 11 HA LYS 11 1.670 -5.329 6.594 65 1HB LYS 11 HB2 LYS 11 -0.379 -6.434 7.567 66 2HB LYS 11 HB1 LYS 11 -0.259 -7.631 6.285 67 1HG LYS 11 HG2 LYS 11 1.591 -8.618 7.186 68 2HG LYS 11 HG1 LYS 11 2.135 -7.135 7.974 69 1HD LYS 11 HD2 LYS 11 0.509 -7.355 9.695 70 2HD LYS 11 HD1 LYS 11 -0.324 -8.649 8.831 71 1HE LYS 11 HE2 LYS 11 0.862 -9.903 10.319 72 2HE LYS 11 HE1 LYS 11 2.049 -9.805 9.018 73 1HZ LYS 11 HZ1 LYS 11 2.772 -7.677 10.320 74 2HZ LYS 11 HZ2 LYS 11 3.310 -9.205 10.807 75 3HZ LYS 11 HZ3 LYS 11 2.030 -8.460 11.624 76 H GLY 12 HN GLY 12 3.159 -7.190 6.207 77 1HA GLY 12 HA2 GLY 12 3.415 -8.960 4.288 78 2HA GLY 12 HA1 GLY 12 3.527 -7.495 3.326 79 H LYS 13 HN LYS 13 5.010 -5.882 4.952 80 HA LYS 13 HA LYS 13 7.069 -5.394 5.769 81 1HB LYS 13 HB2 LYS 13 6.751 -7.606 6.928 82 2HB LYS 13 HB1 LYS 13 7.677 -8.312 5.616 83 1HG LYS 13 HG2 LYS 13 9.387 -6.399 6.304 84 2HG LYS 13 HG1 LYS 13 8.570 -6.592 7.856 85 1HD LYS 13 HD2 LYS 13 9.116 -8.937 7.909 86 2HD LYS 13 HD1 LYS 13 9.788 -8.856 6.279 87 1HE LYS 13 HE2 LYS 13 11.302 -6.993 7.392 88 2HE LYS 13 HE1 LYS 13 10.915 -7.893 8.857 89 1HZ LYS 13 HZ1 LYS 13 11.966 -9.221 6.431 90 2HZ LYS 13 HZ2 LYS 13 11.912 -9.820 8.012 91 3HZ LYS 13 HZ3 LYS 13 12.988 -8.577 7.615 92 H ASN 14 HN ASN 14 6.455 -7.112 2.951 93 HA ASN 14 HA ASN 14 8.834 -6.016 1.710 94 1HB ASN 14 HB2 ASN 14 8.109 -8.882 1.884 95 2HB ASN 14 HB1 ASN 14 8.654 -8.317 0.308 96 1HD2 ASN 14 1HD2 ASN 14 9.608 -9.508 3.255 97 2HD2 ASN 14 2HD2 ASN 14 11.284 -9.094 3.187 98 H ALA 15 HN ALA 15 6.135 -5.142 1.762 99 HA ALA 15 HA ALA 15 5.530 -5.313 -1.105 100 1HB ALA 15 HB1 ALA 15 3.389 -5.960 -0.826 101 2HB ALA 15 HB2 ALA 15 3.196 -5.046 0.670 102 3HB ALA 15 HB3 ALA 15 4.000 -6.616 0.693 103 H LYS 16 HN LYS 16 5.994 -3.313 -1.801 104 HA LYS 16 HA LYS 16 5.500 -1.007 -0.127 105 1HB LYS 16 HB2 LYS 16 7.520 -0.917 -1.362 106 2HB LYS 16 HB1 LYS 16 6.713 -1.354 -2.861 107 1HG LYS 16 HG2 LYS 16 5.554 0.809 -2.851 108 2HG LYS 16 HG1 LYS 16 6.401 1.242 -1.365 109 1HD LYS 16 HD2 LYS 16 8.463 0.496 -2.995 110 2HD LYS 16 HD1 LYS 16 7.343 1.234 -4.141 111 1HE LYS 16 HE2 LYS 16 8.331 3.153 -3.514 112 2HE LYS 16 HE1 LYS 16 7.267 3.032 -2.114 113 1HZ LYS 16 HZ1 LYS 16 9.674 3.444 -1.619 114 2HZ LYS 16 HZ2 LYS 16 9.995 1.875 -2.163 115 3HZ LYS 16 HZ3 LYS 16 8.995 2.116 -0.820 116 HA PRO 17 HA PRO 17 1.474 -0.332 -1.903 117 1HB PRO 17 HB2 PRO 17 0.880 1.965 -0.650 118 2HB PRO 17 HB1 PRO 17 0.946 0.425 0.215 119 1HG PRO 17 HG2 PRO 17 2.988 2.608 0.074 120 2HG PRO 17 HG1 PRO 17 2.462 1.657 1.475 121 1HD PRO 17 HD2 PRO 17 4.750 1.143 0.052 122 2HD PRO 17 HD1 PRO 17 3.856 -0.087 0.965 123 H THR 18 HN THR 18 0.573 0.820 -3.559 124 HA THR 18 HA THR 18 2.071 3.124 -4.586 125 HB THR 18 HB THR 18 2.521 1.020 -5.887 126 HG1 THR 18 HG1 THR 18 2.893 2.451 -7.353 127 1HG2 THR 18 1HG2 THR 18 0.219 1.107 -7.523 128 2HG2 THR 18 2HG2 THR 18 -0.285 0.838 -5.857 129 3HG2 THR 18 3HG2 THR 18 0.880 -0.249 -6.610 130 H CYS 19 HN CYS 19 0.847 4.681 -5.748 131 HA CYS 19 HA CYS 19 -2.019 4.580 -5.099 132 1HB CYS 19 HB2 CYS 19 -0.086 6.544 -4.580 133 2HB CYS 19 HB1 CYS 19 -1.109 7.205 -5.848 134 H ASP 20 HN ASP 20 -3.335 4.229 -6.751 135 HA ASP 20 HA ASP 20 -2.615 5.275 -9.381 136 1HB ASP 20 HB2 ASP 20 -2.447 2.691 -8.953 137 2HB ASP 20 HB1 ASP 20 -4.197 2.756 -9.123 138 H ASP 21 HN ASP 21 -3.973 6.978 -9.551 139 HA ASP 21 HA ASP 21 -5.894 8.205 -9.596 140 1HB ASP 21 HB2 ASP 21 -6.743 5.495 -10.553 141 2HB ASP 21 HB1 ASP 21 -7.957 6.749 -10.323 142 H GLY 22 HN GLY 22 -5.246 7.751 -7.072 143 1HA GLY 22 HA2 GLY 22 -6.099 7.851 -4.963 144 2HA GLY 22 HA1 GLY 22 -7.682 7.924 -5.704 145 H VAL 23 HN VAL 23 -5.822 5.214 -6.615 146 HA VAL 23 HA VAL 23 -7.326 3.530 -4.720 147 HB VAL 23 HB VAL 23 -6.371 2.750 -7.477 148 1HG1 VAL 23 1HG1 VAL 23 -6.562 0.728 -6.458 149 2HG1 VAL 23 2HG1 VAL 23 -8.255 0.959 -6.896 150 3HG1 VAL 23 3HG1 VAL 23 -7.712 1.317 -5.257 151 1HG2 VAL 23 1HG2 VAL 23 -8.976 2.697 -7.804 152 2HG2 VAL 23 2HG2 VAL 23 -8.071 4.197 -8.009 153 3HG2 VAL 23 3HG2 VAL 23 -8.947 3.893 -6.508 154 H CYS 24 HN CYS 24 -5.898 3.049 -3.142 155 HA CYS 24 HA CYS 24 -3.106 2.717 -3.586 156 1HB CYS 24 HB2 CYS 24 -3.954 3.453 -1.418 157 2HB CYS 24 HB1 CYS 24 -4.821 1.935 -1.217 158 H ASN 25 HN ASN 25 -1.877 0.881 -3.734 159 HA ASN 25 HA ASN 25 -3.006 -1.738 -3.435 160 1HB ASN 25 HB2 ASN 25 -2.334 -2.340 -5.866 161 2HB ASN 25 HB1 ASN 25 -3.876 -1.536 -5.594 162 1HD2 ASN 25 1HD2 ASN 25 -1.483 -1.633 -7.675 163 2HD2 ASN 25 2HD2 ASN 25 -1.415 0.012 -8.196 164 H CYS 26 HN CYS 26 -1.454 -2.958 -2.618 165 HA CYS 26 HA CYS 26 1.327 -2.127 -2.941 166 1HB CYS 26 HB2 CYS 26 0.216 -4.266 -1.119 167 2HB CYS 26 HB1 CYS 26 1.814 -3.533 -1.044 168 H ASN 27 HN ASN 27 2.984 -3.847 -3.200 169 HA ASN 27 HA ASN 27 2.100 -6.239 -4.592 170 1HB ASN 27 HB2 ASN 27 3.765 -4.084 -5.877 171 2HB ASN 27 HB1 ASN 27 3.754 -5.744 -6.464 172 1HD2 ASN 27 1HD2 ASN 27 2.176 -2.744 -6.464 173 2HD2 ASN 27 2HD2 ASN 27 0.798 -3.198 -7.400 174 H VAL 28 HN VAL 28 5.213 -4.613 -4.598 175 HA VAL 28 HA VAL 28 6.288 -6.438 -2.613 176 HB VAL 28 HB VAL 28 6.524 -7.720 -4.689 177 1HG1 VAL 28 1HG1 VAL 28 7.359 -6.925 -6.631 178 2HG1 VAL 28 2HG1 VAL 28 8.528 -5.877 -5.828 179 3HG1 VAL 28 3HG1 VAL 28 6.842 -5.378 -5.963 180 1HG2 VAL 28 1HG2 VAL 28 8.388 -7.401 -2.794 181 2HG2 VAL 28 2HG2 VAL 28 9.316 -6.875 -4.198 182 3HG2 VAL 28 3HG2 VAL 28 8.593 -8.484 -4.170
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