NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17133 | 2bbl | 6898 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1HA GLY 1 1HA GLY 1 -1.514 -8.775 -2.138 2 2HA GLY 1 2HA GLY 1 0.227 -8.690 -2.312 3 H ALA 2 H ALA 2 1.252 -6.453 -2.316 4 HA ALA 2 HA ALA 2 0.224 -4.988 -0.111 5 1HB ALA 2 1HB ALA 2 2.624 -5.266 -0.495 6 2HB ALA 2 2HB ALA 2 2.492 -4.447 -2.070 7 3HB ALA 2 3HB ALA 2 2.201 -3.539 -0.567 8 H TYR 3 H TYR 3 0.142 -2.440 -0.357 9 HA TYR 3 HA TYR 3 -2.089 -1.867 -1.928 10 1HB TYR 3 1HB TYR 3 -0.832 0.559 -1.396 11 2HB TYR 3 2HB TYR 3 -1.796 -0.299 -0.210 12 HD1 TYR 3 HD1 TYR 3 -0.785 -1.338 1.709 13 HD2 TYR 3 HD2 TYR 3 1.663 0.356 -1.363 14 HE1 TYR 3 HE1 TYR 3 1.251 -1.521 3.220 15 HE2 TYR 3 HE2 TYR 3 3.691 0.167 0.158 16 HH TYR 3 HH TYR 3 4.077 -1.668 2.423 17 H THR 4 H THR 4 1.400 -1.715 -2.600 18 HA THR 4 HA THR 4 0.755 -0.538 -5.225 19 HB THR 4 HB THR 4 3.253 -0.359 -3.461 20 HG1 THR 4 HG1 THR 4 2.445 1.770 -3.263 21 1HG2 THR 4 1HG2 THR 4 3.971 -0.384 -5.827 22 2HG2 THR 4 2HG2 THR 4 2.669 0.751 -6.257 23 3HG2 THR 4 3HG2 THR 4 4.015 1.290 -5.224 24 H GLY 5 H GLY 5 3.030 -2.809 -3.542 25 1HA GLY 5 1HA GLY 5 2.934 -5.103 -4.474 26 2HA GLY 5 2HA GLY 5 3.073 -4.367 -6.058 27 H LEU 6 H LEU 6 4.886 -2.237 -4.462 28 HA LEU 6 HA LEU 6 7.307 -3.138 -5.401 29 1HB LEU 6 1HB LEU 6 7.116 -0.874 -4.964 30 2HB LEU 6 2HB LEU 6 6.465 -1.122 -3.356 31 HG LEU 6 HG LEU 6 8.723 -1.961 -2.637 32 1HD1 LEU 6 1HD1 LEU 6 9.654 -2.652 -4.740 33 2HD1 LEU 6 2HD1 LEU 6 9.525 -1.002 -5.396 34 3HD1 LEU 6 3HD1 LEU 6 10.664 -1.348 -4.072 35 1HD2 LEU 6 1HD2 LEU 6 9.738 0.276 -2.496 36 2HD2 LEU 6 2HD2 LEU 6 8.576 0.872 -3.706 37 3HD2 LEU 6 3HD2 LEU 6 7.997 0.300 -2.123 38 HA PRO 7 HA PRO 7 8.180 -4.934 -1.134 39 1HB PRO 7 1HB PRO 7 6.289 -4.869 0.838 40 2HB PRO 7 2HB PRO 7 7.550 -3.663 0.679 41 1HG PRO 7 1HG PRO 7 4.679 -3.444 0.008 42 2HG PRO 7 2HG PRO 7 5.849 -2.163 0.260 43 1HD PRO 7 1HD PRO 7 4.839 -3.093 -2.258 44 2HD PRO 7 2HD PRO 7 6.092 -1.894 -2.010 45 H ASN 8 H ASN 8 4.761 -5.343 -1.853 46 HA ASN 8 HA ASN 8 3.613 -7.114 -2.351 47 1HB ASN 8 1HB ASN 8 5.760 -7.652 -3.761 48 2HB ASN 8 2HB ASN 8 6.155 -8.799 -2.496 49 1HD2 ASN 8 1HD2 ASN 8 4.803 -10.569 -2.091 50 2HD2 ASN 8 2HD2 ASN 8 3.693 -11.179 -3.272 51 H LYS 9 H LYS 9 2.517 -7.640 -0.424 52 HA LYS 9 HA LYS 9 3.872 -9.559 1.325 53 1HB LYS 9 1HB LYS 9 2.552 -6.966 2.099 54 2HB LYS 9 2HB LYS 9 2.573 -8.316 3.215 55 1HG LYS 9 1HG LYS 9 5.026 -8.424 3.136 56 2HG LYS 9 2HG LYS 9 5.082 -7.222 1.862 57 1HD LYS 9 1HD LYS 9 4.146 -5.508 3.379 58 2HD LYS 9 2HD LYS 9 3.938 -6.700 4.647 59 1HE LYS 9 1HE LYS 9 6.398 -7.066 4.738 60 2HE LYS 9 2HE LYS 9 6.632 -5.932 3.422 61 1HZ LYS 9 1HZ LYS 9 6.932 -4.953 5.688 62 2HZ LYS 9 2HZ LYS 9 5.819 -4.158 4.804 63 H LYS 10 H LYS 10 0.649 -7.971 1.568 64 HA LYS 10 HA LYS 10 -0.808 -9.908 0.234 65 1HB LYS 10 1HB LYS 10 0.214 -10.887 2.712 66 2HB LYS 10 2HB LYS 10 -1.511 -10.654 2.910 67 1HG LYS 10 1HG LYS 10 -1.942 -11.969 0.836 68 2HG LYS 10 2HG LYS 10 -0.219 -12.174 0.595 69 1HD LYS 10 1HD LYS 10 -0.049 -13.388 2.771 70 2HD LYS 10 2HD LYS 10 -1.767 -13.167 3.035 71 1HE LYS 10 1HE LYS 10 -2.259 -14.467 0.955 72 2HE LYS 10 2HE LYS 10 -0.542 -14.681 0.678 73 1HZ LYS 10 1HZ LYS 10 -0.411 -15.874 2.808 74 2HZ LYS 10 2HZ LYS 10 -2.006 -15.676 3.065 75 HA PRO 11 HA PRO 11 -3.557 -7.219 2.935 76 1HB PRO 11 1HB PRO 11 -2.595 -5.983 5.174 77 2HB PRO 11 2HB PRO 11 -3.397 -7.541 5.209 78 1HG PRO 11 1HG PRO 11 -0.516 -6.932 5.473 79 2HG PRO 11 2HG PRO 11 -1.375 -8.393 5.921 80 1HD PRO 11 1HD PRO 11 0.280 -8.015 3.609 81 2HD PRO 11 2HD PRO 11 -0.671 -9.435 3.996 82 H ASN 12 H ASN 12 -4.183 -4.911 3.128 83 HA ASN 12 HA ASN 12 -2.140 -3.066 2.526 84 1HB ASN 12 1HB ASN 12 -3.247 -2.381 0.277 85 2HB ASN 12 2HB ASN 12 -2.248 -3.821 0.251 86 1HD2 ASN 12 1HD2 ASN 12 -3.155 -5.841 0.057 87 2HD2 ASN 12 2HD2 ASN 12 -4.796 -6.115 -0.424 88 H VAL 13 H VAL 13 -3.242 -2.143 4.444 89 HA VAL 13 HA VAL 13 -5.992 -1.652 4.525 90 HB VAL 13 HB VAL 13 -3.569 -0.612 5.952 91 1HG1 VAL 13 1HG1 VAL 13 -6.392 0.456 6.189 92 2HG1 VAL 13 2HG1 VAL 13 -5.190 0.606 7.493 93 3HG1 VAL 13 3HG1 VAL 13 -4.886 1.362 5.911 94 1HG2 VAL 13 1HG2 VAL 13 -4.590 -2.875 6.426 95 2HG2 VAL 13 2HG2 VAL 13 -4.462 -1.787 7.829 96 3HG2 VAL 13 3HG2 VAL 13 -6.031 -2.018 7.023 97 HA PRO 14 HA PRO 14 -4.855 2.589 2.770 98 1HB PRO 14 1HB PRO 14 -2.336 3.060 1.820 99 2HB PRO 14 2HB PRO 14 -2.848 3.499 3.437 100 1HG PRO 14 1HG PRO 14 -1.117 1.259 2.585 101 2HG PRO 14 2HG PRO 14 -1.294 1.965 4.179 102 1HD PRO 14 1HD PRO 14 -2.415 -0.512 3.264 103 2HD PRO 14 2HD PRO 14 -2.687 0.250 4.818 104 H THR 15 H THR 15 -4.838 3.604 0.609 105 HA THR 15 HA THR 15 -5.303 1.466 -1.309 106 HB THR 15 HB THR 15 -6.856 3.508 -0.777 107 HG1 THR 15 HG1 THR 15 -7.527 2.728 -2.733 108 1HG2 THR 15 1HG2 THR 15 -4.940 4.801 -2.781 109 2HG2 THR 15 2HG2 THR 15 -6.402 5.525 -2.068 110 3HG2 THR 15 3HG2 THR 15 -4.969 5.230 -1.054 111 H ILE 16 H ILE 16 -2.918 3.944 -0.522 112 HA ILE 16 HA ILE 16 -1.121 2.802 -2.399 113 HB ILE 16 HB ILE 16 -2.623 4.275 -3.813 114 1HG1 ILE 16 1HG1 ILE 16 -0.356 5.465 -4.728 115 2HG1 ILE 16 2HG1 ILE 16 0.340 4.214 -3.718 116 1HG2 ILE 16 1HG2 ILE 16 -2.347 6.640 -3.765 117 2HG2 ILE 16 2HG2 ILE 16 -2.745 6.120 -2.110 118 3HG2 ILE 16 3HG2 ILE 16 -1.066 6.533 -2.534 119 1HD1 ILE 16 1HD1 ILE 16 -1.155 2.522 -4.878 120 2HD1 ILE 16 2HD1 ILE 16 -1.662 3.821 -5.985 121 3HD1 ILE 16 3HD1 ILE 16 0.038 3.296 -5.949 122 H ARG 17 H ARG 17 0.996 3.205 -1.778 123 HA ARG 17 HA ARG 17 1.316 4.222 0.785 124 1HB ARG 17 1HB ARG 17 3.629 3.662 0.519 125 2HB ARG 17 2HB ARG 17 2.782 2.509 -0.492 126 1HG ARG 17 1HG ARG 17 3.165 4.072 -2.471 127 2HG ARG 17 2HG ARG 17 4.159 5.069 -1.427 128 1HD ARG 17 1HD ARG 17 5.625 3.054 -0.968 129 2HD ARG 17 2HD ARG 17 4.667 2.132 -2.109 130 HE ARG 17 HE ARG 17 5.677 3.294 -3.892 131 1HH1 ARG 17 1HH1 ARG 17 6.462 4.902 -0.834 132 2HH1 ARG 17 2HH1 ARG 17 7.651 5.943 -1.543 133 1HH2 ARG 17 1HH2 ARG 17 8.095 5.788 -3.893 134 H THR 18 H THR 18 1.179 5.728 -2.351 135 HA THR 18 HA THR 18 2.897 7.916 -1.914 136 HB THR 18 HB THR 18 0.404 7.647 -3.675 137 HG1 THR 18 HG1 THR 18 1.889 6.592 -5.046 138 1HG2 THR 18 1HG2 THR 18 1.312 9.967 -3.635 139 2HG2 THR 18 2HG2 THR 18 2.951 9.334 -3.919 140 3HG2 THR 18 3HG2 THR 18 1.705 9.178 -5.181 141 H ALA 19 H ALA 19 -0.279 7.115 -0.669 142 HA ALA 19 HA ALA 19 -1.105 9.766 -0.147 143 1HB ALA 19 1HB ALA 19 -1.875 7.141 1.193 144 2HB ALA 19 2HB ALA 19 -2.789 8.667 1.263 145 3HB ALA 19 3HB ALA 19 -2.618 7.803 -0.283 146 H LYS 20 H LYS 20 0.701 7.255 1.714 147 HA LYS 20 HA LYS 20 0.802 8.741 4.096 148 1HB LYS 20 1HB LYS 20 2.366 6.409 2.990 149 2HB LYS 20 2HB LYS 20 2.789 7.139 4.525 150 1HG LYS 20 1HG LYS 20 0.507 6.734 5.393 151 2HG LYS 20 2HG LYS 20 -0.006 6.114 3.836 152 1HD LYS 20 1HD LYS 20 1.512 4.204 4.012 153 2HD LYS 20 2HD LYS 20 2.275 4.874 5.441 154 1HE LYS 20 1HE LYS 20 0.154 4.656 6.713 155 2HE LYS 20 2HE LYS 20 -0.671 4.074 5.281 156 1HZ LYS 20 1HZ LYS 20 0.900 2.174 5.259 157 2HZ LYS 20 2HZ LYS 20 1.587 2.701 6.638 158 H VAL 21 H VAL 21 2.818 8.638 1.139 159 HA VAL 21 HA VAL 21 4.932 10.163 2.224 160 HB VAL 21 HB VAL 21 4.004 9.509 -0.569 161 1HG1 VAL 21 1HG1 VAL 21 6.312 10.357 -1.258 162 2HG1 VAL 21 2HG1 VAL 21 5.089 11.592 -0.871 163 3HG1 VAL 21 3HG1 VAL 21 6.359 11.195 0.312 164 1HG2 VAL 21 1HG2 VAL 21 4.954 7.698 0.894 165 2HG2 VAL 21 2HG2 VAL 21 5.862 7.989 -0.609 166 3HG2 VAL 21 3HG2 VAL 21 6.480 8.614 0.939 167 H GLN 22 H GLN 22 1.893 10.937 0.456 168 HA GLN 22 HA GLN 22 2.512 13.648 0.160 169 1HB GLN 22 1HB GLN 22 0.815 12.418 -1.200 170 2HB GLN 22 2HB GLN 22 -0.209 12.268 0.214 171 1HG GLN 22 1HG GLN 22 -0.452 14.706 0.376 172 2HG GLN 22 2HG GLN 22 0.729 14.953 -0.895 173 1HE2 GLN 22 1HE2 GLN 22 -2.380 13.413 -0.175 174 2HE2 GLN 22 2HE2 GLN 22 -3.094 13.596 -1.743 Start of MODEL 2 1 1HA GLY 1 1HA GLY 1 -1.051 -8.737 -2.409 2 2HA GLY 1 2HA GLY 1 -1.601 -8.308 -4.017 3 H ALA 2 H ALA 2 -0.932 -6.694 -0.823 4 HA ALA 2 HA ALA 2 0.109 -4.809 -0.318 5 1HB ALA 2 1HB ALA 2 1.874 -6.052 -1.787 6 2HB ALA 2 2HB ALA 2 1.481 -4.822 -3.012 7 3HB ALA 2 3HB ALA 2 2.121 -4.326 -1.427 8 H TYR 3 H TYR 3 0.516 -2.415 -1.157 9 HA TYR 3 HA TYR 3 -1.938 -1.691 -2.582 10 1HB TYR 3 1HB TYR 3 -0.969 0.621 -1.556 11 2HB TYR 3 2HB TYR 3 -1.814 -0.510 -0.519 12 HD1 TYR 3 HD1 TYR 3 -0.723 -1.536 1.324 13 HD2 TYR 3 HD2 TYR 3 1.580 0.577 -1.597 14 HE1 TYR 3 HE1 TYR 3 1.326 -1.683 2.822 15 HE2 TYR 3 HE2 TYR 3 3.621 0.423 -0.090 16 HH TYR 3 HH TYR 3 3.680 0.079 2.830 17 H THR 4 H THR 4 1.306 -2.261 -3.240 18 HA THR 4 HA THR 4 1.144 -0.636 -5.636 19 HB THR 4 HB THR 4 3.210 -0.247 -3.419 20 HG1 THR 4 HG1 THR 4 2.277 1.832 -3.558 21 1HG2 THR 4 1HG2 THR 4 4.528 -0.324 -5.480 22 2HG2 THR 4 2HG2 THR 4 3.287 0.600 -6.360 23 3HG2 THR 4 3HG2 THR 4 4.251 1.390 -5.088 24 H GLY 5 H GLY 5 3.158 -2.856 -3.609 25 1HA GLY 5 1HA GLY 5 3.427 -5.088 -4.623 26 2HA GLY 5 2HA GLY 5 3.839 -4.271 -6.118 27 H LEU 6 H LEU 6 5.102 -2.175 -3.943 28 HA LEU 6 HA LEU 6 7.737 -2.864 -4.447 29 1HB LEU 6 1HB LEU 6 7.329 -0.647 -3.950 30 2HB LEU 6 2HB LEU 6 6.344 -1.020 -2.549 31 HG LEU 6 HG LEU 6 8.417 -1.780 -1.359 32 1HD1 LEU 6 1HD1 LEU 6 9.862 -2.341 -3.176 33 2HD1 LEU 6 2HD1 LEU 6 9.768 -0.692 -3.840 34 3HD1 LEU 6 3HD1 LEU 6 10.601 -0.983 -2.294 35 1HD2 LEU 6 1HD2 LEU 6 7.396 0.491 -1.113 36 2HD2 LEU 6 2HD2 LEU 6 9.140 0.420 -0.766 37 3HD2 LEU 6 3HD2 LEU 6 8.567 1.089 -2.313 38 HA PRO 7 HA PRO 7 7.781 -4.881 -0.185 39 1HB PRO 7 1HB PRO 7 5.489 -5.099 1.288 40 2HB PRO 7 2HB PRO 7 6.642 -3.795 1.496 41 1HG PRO 7 1HG PRO 7 3.995 -3.738 0.181 42 2HG PRO 7 2HG PRO 7 4.957 -2.397 0.771 43 1HD PRO 7 1HD PRO 7 4.639 -3.211 -1.961 44 2HD PRO 7 2HD PRO 7 5.691 -1.945 -1.360 45 H ASN 8 H ASN 8 4.698 -5.477 -1.758 46 HA ASN 8 HA ASN 8 3.790 -7.299 -2.501 47 1HB ASN 8 1HB ASN 8 5.991 -7.495 -3.753 48 2HB ASN 8 2HB ASN 8 6.609 -8.499 -2.456 49 1HD2 ASN 8 1HD2 ASN 8 3.984 -8.201 -4.814 50 2HD2 ASN 8 2HD2 ASN 8 3.712 -9.893 -5.069 51 H LYS 9 H LYS 9 2.838 -7.477 -0.233 52 HA LYS 9 HA LYS 9 3.962 -9.781 1.203 53 1HB LYS 9 1HB LYS 9 2.636 -7.259 2.189 54 2HB LYS 9 2HB LYS 9 2.638 -8.714 3.165 55 1HG LYS 9 1HG LYS 9 5.061 -8.792 3.216 56 2HG LYS 9 2HG LYS 9 5.197 -7.574 1.963 57 1HD LYS 9 1HD LYS 9 4.272 -5.852 3.455 58 2HD LYS 9 2HD LYS 9 3.924 -7.047 4.689 59 1HE LYS 9 1HE LYS 9 6.347 -7.526 4.950 60 2HE LYS 9 2HE LYS 9 6.729 -6.408 3.656 61 1HZ LYS 9 1HZ LYS 9 5.778 -4.610 5.006 62 2HZ LYS 9 2HZ LYS 9 5.406 -5.646 6.206 63 H LYS 10 H LYS 10 0.763 -8.126 1.416 64 HA LYS 10 HA LYS 10 -0.664 -9.914 -0.135 65 1HB LYS 10 1HB LYS 10 0.202 -11.113 2.305 66 2HB LYS 10 2HB LYS 10 -1.525 -10.848 2.433 67 1HG LYS 10 1HG LYS 10 -1.879 -11.983 0.242 68 2HG LYS 10 2HG LYS 10 -0.150 -12.216 0.072 69 1HD LYS 10 1HD LYS 10 -0.123 -13.603 2.149 70 2HD LYS 10 2HD LYS 10 -1.847 -13.355 2.344 71 1HE LYS 10 1HE LYS 10 -2.261 -14.473 0.144 72 2HE LYS 10 2HE LYS 10 -0.537 -14.711 -0.063 73 1HZ LYS 10 1HZ LYS 10 -2.234 -15.913 2.054 74 2HZ LYS 10 2HZ LYS 10 -1.438 -16.703 0.873 75 HA PRO 11 HA PRO 11 -3.479 -7.361 2.634 76 1HB PRO 11 1HB PRO 11 -2.586 -6.299 4.988 77 2HB PRO 11 2HB PRO 11 -3.419 -7.838 4.886 78 1HG PRO 11 1HG PRO 11 -0.540 -7.313 5.305 79 2HG PRO 11 2HG PRO 11 -1.445 -8.781 5.618 80 1HD PRO 11 1HD PRO 11 0.310 -8.288 3.404 81 2HD PRO 11 2HD PRO 11 -0.684 -9.708 3.657 82 H ASN 12 H ASN 12 -4.036 -5.037 3.039 83 HA ASN 12 HA ASN 12 -1.903 -3.247 2.533 84 1HB ASN 12 1HB ASN 12 -3.187 -2.323 0.415 85 2HB ASN 12 2HB ASN 12 -2.111 -3.692 0.216 86 1HD2 ASN 12 1HD2 ASN 12 -2.897 -5.711 -0.198 87 2HD2 ASN 12 2HD2 ASN 12 -4.546 -6.048 -0.609 88 H VAL 13 H VAL 13 -2.752 -2.229 4.466 89 HA VAL 13 HA VAL 13 -5.478 -1.702 4.847 90 HB VAL 13 HB VAL 13 -2.900 -0.737 6.035 91 1HG1 VAL 13 1HG1 VAL 13 -5.662 0.379 6.576 92 2HG1 VAL 13 2HG1 VAL 13 -4.332 0.479 7.755 93 3HG1 VAL 13 3HG1 VAL 13 -4.172 1.261 6.164 94 1HG2 VAL 13 1HG2 VAL 13 -5.268 -2.119 7.328 95 2HG2 VAL 13 2HG2 VAL 13 -3.912 -2.990 6.574 96 3HG2 VAL 13 3HG2 VAL 13 -3.620 -1.931 7.975 97 HA PRO 14 HA PRO 14 -4.429 2.545 3.055 98 1HB PRO 14 1HB PRO 14 -2.003 2.988 1.878 99 2HB PRO 14 2HB PRO 14 -2.351 3.406 3.543 100 1HG PRO 14 1HG PRO 14 -0.752 1.152 2.493 101 2HG PRO 14 2HG PRO 14 -0.764 1.831 4.109 102 1HD PRO 14 1HD PRO 14 -2.014 -0.608 3.263 103 2HD PRO 14 2HD PRO 14 -2.122 0.131 4.849 104 H THR 15 H THR 15 -4.721 3.570 0.958 105 HA THR 15 HA THR 15 -5.335 1.477 -0.959 106 HB THR 15 HB THR 15 -6.848 3.481 -0.220 107 HG1 THR 15 HG1 THR 15 -7.706 2.744 -2.120 108 1HG2 THR 15 1HG2 THR 15 -6.550 5.540 -1.488 109 2HG2 THR 15 2HG2 THR 15 -5.013 5.235 -0.643 110 3HG2 THR 15 3HG2 THR 15 -5.167 4.856 -2.375 111 H ILE 16 H ILE 16 -2.901 3.955 -0.362 112 HA ILE 16 HA ILE 16 -1.297 2.881 -2.440 113 HB ILE 16 HB ILE 16 -2.952 4.346 -3.672 114 1HG1 ILE 16 1HG1 ILE 16 -0.801 5.611 -4.766 115 2HG1 ILE 16 2HG1 ILE 16 0.003 4.340 -3.867 116 1HG2 ILE 16 1HG2 ILE 16 -1.333 6.612 -2.487 117 2HG2 ILE 16 2HG2 ILE 16 -2.709 6.721 -3.611 118 3HG2 ILE 16 3HG2 ILE 16 -2.965 6.158 -1.942 119 1HD1 ILE 16 1HD1 ILE 16 -1.572 2.662 -4.933 120 2HD1 ILE 16 2HD1 ILE 16 -2.206 3.985 -5.941 121 3HD1 ILE 16 3HD1 ILE 16 -0.502 3.490 -6.090 122 H ARG 17 H ARG 17 0.871 3.332 -2.054 123 HA ARG 17 HA ARG 17 1.462 4.258 0.484 124 1HB ARG 17 1HB ARG 17 3.755 3.841 -0.095 125 2HB ARG 17 2HB ARG 17 2.835 2.677 -1.026 126 1HG ARG 17 1HG ARG 17 2.880 4.314 -2.982 127 2HG ARG 17 2HG ARG 17 3.957 5.328 -2.043 128 1HD ARG 17 1HD ARG 17 5.603 3.453 -1.885 129 2HD ARG 17 2HD ARG 17 4.522 2.419 -2.799 130 HE ARG 17 HE ARG 17 5.018 4.865 -4.253 131 1HH1 ARG 17 1HH1 ARG 17 6.549 1.787 -3.399 132 2HH1 ARG 17 2HH1 ARG 17 7.582 1.773 -4.789 133 1HH2 ARG 17 1HH2 ARG 17 7.466 3.582 -6.356 134 H THR 18 H THR 18 0.940 5.896 -2.559 135 HA THR 18 HA THR 18 2.589 8.143 -2.184 136 HB THR 18 HB THR 18 -0.060 7.828 -3.693 137 HG1 THR 18 HG1 THR 18 1.322 6.915 -5.256 138 1HG2 THR 18 1HG2 THR 18 1.005 9.498 -5.241 139 2HG2 THR 18 2HG2 THR 18 0.722 10.190 -3.626 140 3HG2 THR 18 3HG2 THR 18 2.357 9.669 -4.096 141 H ALA 19 H ALA 19 -0.401 7.135 -0.660 142 HA ALA 19 HA ALA 19 -1.285 9.714 0.075 143 1HB ALA 19 1HB ALA 19 -2.703 7.672 0.006 144 2HB ALA 19 2HB ALA 19 -1.783 7.006 1.376 145 3HB ALA 19 3HB ALA 19 -2.761 8.477 1.592 146 H LYS 20 H LYS 20 0.826 7.224 1.613 147 HA LYS 20 HA LYS 20 1.116 8.615 4.038 148 1HB LYS 20 1HB LYS 20 2.642 6.403 2.667 149 2HB LYS 20 2HB LYS 20 3.213 7.096 4.172 150 1HG LYS 20 1HG LYS 20 1.081 6.549 5.289 151 2HG LYS 20 2HG LYS 20 0.396 5.983 3.779 152 1HD LYS 20 1HD LYS 20 1.967 4.122 3.668 153 2HD LYS 20 2HD LYS 20 2.907 4.759 5.003 154 1HE LYS 20 1HE LYS 20 1.010 4.407 6.557 155 2HE LYS 20 2HE LYS 20 -0.010 3.878 5.234 156 1HZ LYS 20 1HZ LYS 20 1.563 2.019 4.876 157 2HZ LYS 20 2HZ LYS 20 2.455 2.496 6.152 158 H VAL 21 H VAL 21 2.803 8.731 0.883 159 HA VAL 21 HA VAL 21 4.954 10.311 1.806 160 HB VAL 21 HB VAL 21 3.756 9.731 -0.900 161 1HG1 VAL 21 1HG1 VAL 21 4.712 11.874 -1.217 162 2HG1 VAL 21 2HG1 VAL 21 6.118 11.488 -0.197 163 3HG1 VAL 21 3HG1 VAL 21 5.936 10.717 -1.791 164 1HG2 VAL 21 1HG2 VAL 21 5.663 8.305 -1.210 165 2HG2 VAL 21 2HG2 VAL 21 6.416 8.891 0.292 166 3HG2 VAL 21 3HG2 VAL 21 4.935 7.906 0.364 167 H GLN 22 H GLN 22 1.708 11.009 0.415 168 HA GLN 22 HA GLN 22 2.172 13.757 0.180 169 1HB GLN 22 1HB GLN 22 0.390 12.489 -1.040 170 2HB GLN 22 2HB GLN 22 -0.470 12.258 0.469 171 1HG GLN 22 1HG GLN 22 -0.741 14.700 0.740 172 2HG GLN 22 2HG GLN 22 0.234 14.997 -0.686 173 1HE2 GLN 22 1HE2 GLN 22 -0.512 14.073 -2.735 174 2HE2 GLN 22 2HE2 GLN 22 -2.210 13.999 -3.068 Start of MODEL 3 1 1HA GLY 1 1HA GLY 1 0.002 -8.434 -2.170 2 2HA GLY 1 2HA GLY 1 -0.320 -7.921 -3.815 3 H ALA 2 H ALA 2 -0.073 -6.620 -0.436 4 HA ALA 2 HA ALA 2 0.706 -4.707 0.354 5 1HB ALA 2 1HB ALA 2 2.800 -5.476 -0.649 6 2HB ALA 2 2HB ALA 2 2.339 -4.766 -2.215 7 3HB ALA 2 3HB ALA 2 2.665 -3.710 -0.820 8 H TYR 3 H TYR 3 0.959 -2.220 -0.166 9 HA TYR 3 HA TYR 3 -1.490 -1.480 -1.492 10 1HB TYR 3 1HB TYR 3 -0.063 0.816 -0.722 11 2HB TYR 3 2HB TYR 3 -1.178 -0.042 0.323 12 HD1 TYR 3 HD1 TYR 3 -0.413 -1.170 2.268 13 HD2 TYR 3 HD2 TYR 3 2.413 0.219 -0.628 14 HE1 TYR 3 HE1 TYR 3 1.491 -1.670 3.876 15 HE2 TYR 3 HE2 TYR 3 4.308 -0.285 0.991 16 HH TYR 3 HH TYR 3 4.172 -0.462 3.922 17 H THR 4 H THR 4 1.959 -1.594 -2.207 18 HA THR 4 HA THR 4 1.466 0.037 -4.611 19 HB THR 4 HB THR 4 4.035 -0.524 -3.036 20 HG1 THR 4 HG1 THR 4 2.528 1.926 -3.568 21 1HG2 THR 4 1HG2 THR 4 4.655 -0.082 -5.354 22 2HG2 THR 4 2HG2 THR 4 3.425 1.196 -5.492 23 3HG2 THR 4 3HG2 THR 4 4.856 1.446 -4.464 24 H GLY 5 H GLY 5 3.251 -2.863 -3.374 25 1HA GLY 5 1HA GLY 5 2.798 -4.921 -4.620 26 2HA GLY 5 2HA GLY 5 2.969 -3.992 -6.096 27 H LEU 6 H LEU 6 5.195 -2.414 -4.405 28 HA LEU 6 HA LEU 6 7.372 -3.595 -5.624 29 1HB LEU 6 1HB LEU 6 7.573 -1.373 -4.989 30 2HB LEU 6 2HB LEU 6 7.013 -1.672 -3.355 31 HG LEU 6 HG LEU 6 9.143 -2.890 -2.887 32 1HD1 LEU 6 1HD1 LEU 6 11.049 -2.483 -4.468 33 2HD1 LEU 6 2HD1 LEU 6 9.810 -3.617 -5.057 34 3HD1 LEU 6 3HD1 LEU 6 9.854 -1.947 -5.673 35 1HD2 LEU 6 1HD2 LEU 6 8.834 -0.548 -2.240 36 2HD2 LEU 6 2HD2 LEU 6 10.524 -0.889 -2.679 37 3HD2 LEU 6 3HD2 LEU 6 9.466 -0.024 -3.819 38 HA PRO 7 HA PRO 7 8.185 -5.888 -1.589 39 1HB PRO 7 1HB PRO 7 6.451 -5.702 0.514 40 2HB PRO 7 2HB PRO 7 7.882 -4.703 0.362 41 1HG PRO 7 1HG PRO 7 5.053 -3.968 -0.080 42 2HG PRO 7 2HG PRO 7 6.431 -2.919 0.189 43 1HD PRO 7 1HD PRO 7 5.136 -3.442 -2.316 44 2HD PRO 7 2HD PRO 7 6.583 -2.486 -2.064 45 H ASN 8 H ASN 8 4.742 -5.671 -2.209 46 HA ASN 8 HA ASN 8 3.281 -7.185 -2.728 47 1HB ASN 8 1HB ASN 8 5.108 -7.918 -4.380 48 2HB ASN 8 2HB ASN 8 5.592 -9.133 -3.214 49 1HD2 ASN 8 1HD2 ASN 8 2.838 -7.914 -5.073 50 2HD2 ASN 8 2HD2 ASN 8 2.009 -9.422 -5.271 51 H LYS 9 H LYS 9 2.207 -7.717 -0.792 52 HA LYS 9 HA LYS 9 3.342 -9.958 0.719 53 1HB LYS 9 1HB LYS 9 2.393 -7.295 1.762 54 2HB LYS 9 2HB LYS 9 2.295 -8.730 2.763 55 1HG LYS 9 1HG LYS 9 4.703 -9.115 2.578 56 2HG LYS 9 2HG LYS 9 4.865 -7.859 1.366 57 1HD LYS 9 1HD LYS 9 4.231 -6.127 3.006 58 2HD LYS 9 2HD LYS 9 3.897 -7.348 4.218 59 1HE LYS 9 1HE LYS 9 6.283 -8.051 4.205 60 2HE LYS 9 2HE LYS 9 6.635 -6.894 2.936 61 1HZ LYS 9 1HZ LYS 9 5.979 -5.106 4.465 62 2HZ LYS 9 2HZ LYS 9 5.641 -6.178 5.644 63 H LYS 10 H LYS 10 0.381 -8.050 1.381 64 HA LYS 10 HA LYS 10 -1.397 -9.576 -0.094 65 1HB LYS 10 1HB LYS 10 -0.359 -11.027 2.135 66 2HB LYS 10 2HB LYS 10 -2.025 -10.624 2.497 67 1HG LYS 10 1HG LYS 10 -2.744 -11.557 0.300 68 2HG LYS 10 2HG LYS 10 -1.079 -11.924 -0.102 69 1HD LYS 10 1HD LYS 10 -0.934 -13.461 1.862 70 2HD LYS 10 2HD LYS 10 -2.591 -13.081 2.289 71 1HE LYS 10 1HE LYS 10 -3.370 -13.990 0.092 72 2HE LYS 10 2HE LYS 10 -1.714 -14.360 -0.346 73 1HZ LYS 10 1HZ LYS 10 -3.250 -15.566 1.887 74 2HZ LYS 10 2HZ LYS 10 -2.681 -16.331 0.567 75 HA PRO 11 HA PRO 11 -3.626 -7.025 3.156 76 1HB PRO 11 1HB PRO 11 -2.425 -6.327 5.509 77 2HB PRO 11 2HB PRO 11 -3.433 -7.749 5.333 78 1HG PRO 11 1HG PRO 11 -0.488 -7.578 5.528 79 2HG PRO 11 2HG PRO 11 -1.526 -8.968 5.778 80 1HD PRO 11 1HD PRO 11 0.085 -8.421 3.468 81 2HD PRO 11 2HD PRO 11 -1.040 -9.749 3.671 82 H ASN 12 H ASN 12 -4.074 -4.802 3.287 83 HA ASN 12 HA ASN 12 -1.934 -3.007 3.325 84 1HB ASN 12 1HB ASN 12 -2.483 -2.108 0.911 85 2HB ASN 12 2HB ASN 12 -1.412 -3.487 1.058 86 1HD2 ASN 12 1HD2 ASN 12 -1.959 -5.410 0.233 87 2HD2 ASN 12 2HD2 ASN 12 -3.435 -5.767 -0.600 88 H VAL 13 H VAL 13 -3.256 -1.837 4.812 89 HA VAL 13 HA VAL 13 -5.999 -1.454 4.504 90 HB VAL 13 HB VAL 13 -3.804 -0.176 6.093 91 1HG1 VAL 13 1HG1 VAL 13 -5.146 1.738 5.670 92 2HG1 VAL 13 2HG1 VAL 13 -6.657 0.817 5.865 93 3HG1 VAL 13 3HG1 VAL 13 -5.627 1.147 7.279 94 1HG2 VAL 13 1HG2 VAL 13 -4.837 -2.409 6.681 95 2HG2 VAL 13 2HG2 VAL 13 -4.902 -1.175 7.963 96 3HG2 VAL 13 3HG2 VAL 13 -6.356 -1.538 7.001 97 HA PRO 14 HA PRO 14 -4.790 2.628 2.443 98 1HB PRO 14 1HB PRO 14 -2.195 3.086 1.717 99 2HB PRO 14 2HB PRO 14 -2.890 3.674 3.215 100 1HG PRO 14 1HG PRO 14 -1.022 1.421 2.797 101 2HG PRO 14 2HG PRO 14 -1.389 2.283 4.278 102 1HD PRO 14 1HD PRO 14 -2.343 -0.315 3.523 103 2HD PRO 14 2HD PRO 14 -2.800 0.596 4.949 104 H THR 15 H THR 15 -4.648 3.390 0.210 105 HA THR 15 HA THR 15 -4.790 1.046 -1.505 106 HB THR 15 HB THR 15 -5.435 4.011 -1.939 107 HG1 THR 15 HG1 THR 15 -7.234 3.322 -0.855 108 1HG2 THR 15 1HG2 THR 15 -5.107 2.848 -4.110 109 2HG2 THR 15 2HG2 THR 15 -6.126 1.498 -3.552 110 3HG2 THR 15 3HG2 THR 15 -6.844 3.105 -3.820 111 H ILE 16 H ILE 16 -2.654 3.770 -0.792 112 HA ILE 16 HA ILE 16 -0.643 2.558 -2.429 113 HB ILE 16 HB ILE 16 -2.041 3.917 -4.025 114 1HG1 ILE 16 1HG1 ILE 16 0.243 5.225 -4.731 115 2HG1 ILE 16 2HG1 ILE 16 0.893 4.023 -3.633 116 1HG2 ILE 16 1HG2 ILE 16 -0.769 6.287 -2.634 117 2HG2 ILE 16 2HG2 ILE 16 -1.875 6.305 -4.029 118 3HG2 ILE 16 3HG2 ILE 16 -2.467 5.793 -2.430 119 1HD1 ILE 16 1HD1 ILE 16 0.866 3.068 -5.870 120 2HD1 ILE 16 2HD1 ILE 16 -0.384 2.242 -4.909 121 3HD1 ILE 16 3HD1 ILE 16 -0.848 3.498 -6.083 122 H ARG 17 H ARG 17 1.421 3.092 -1.696 123 HA ARG 17 HA ARG 17 1.534 4.117 0.869 124 1HB ARG 17 1HB ARG 17 3.907 3.765 0.710 125 2HB ARG 17 2HB ARG 17 3.191 2.533 -0.310 126 1HG ARG 17 1HG ARG 17 3.528 4.084 -2.304 127 2HG ARG 17 2HG ARG 17 4.391 5.181 -1.245 128 1HD ARG 17 1HD ARG 17 6.000 3.303 -0.682 129 2HD ARG 17 2HD ARG 17 5.172 2.286 -1.844 130 HE ARG 17 HE ARG 17 5.844 4.687 -3.196 131 1HH1 ARG 17 1HH1 ARG 17 7.532 1.971 -1.670 132 2HH1 ARG 17 2HH1 ARG 17 8.923 2.099 -2.694 133 1HH2 ARG 17 1HH2 ARG 17 8.988 3.803 -4.378 134 H THR 18 H THR 18 1.490 5.648 -2.267 135 HA THR 18 HA THR 18 2.990 7.961 -1.674 136 HB THR 18 HB THR 18 0.694 7.502 -3.652 137 HG1 THR 18 HG1 THR 18 2.377 6.590 -4.884 138 1HG2 THR 18 1HG2 THR 18 2.001 9.157 -5.029 139 2HG2 THR 18 2HG2 THR 18 1.370 9.890 -3.535 140 3HG2 THR 18 3HG2 THR 18 3.084 9.421 -3.641 141 H ALA 19 H ALA 19 -0.167 6.873 -0.659 142 HA ALA 19 HA ALA 19 -1.325 9.406 -0.254 143 1HB ALA 19 1HB ALA 19 -2.930 8.156 1.111 144 2HB ALA 19 2HB ALA 19 -2.557 7.246 -0.373 145 3HB ALA 19 3HB ALA 19 -1.824 6.763 1.176 146 H LYS 20 H LYS 20 0.861 7.310 1.664 147 HA LYS 20 HA LYS 20 0.600 8.769 4.059 148 1HB LYS 20 1HB LYS 20 2.761 6.907 3.036 149 2HB LYS 20 2HB LYS 20 2.722 7.563 4.660 150 1HG LYS 20 1HG LYS 20 0.326 6.599 4.844 151 2HG LYS 20 2HG LYS 20 0.660 5.737 3.355 152 1HD LYS 20 1HD LYS 20 2.786 4.829 4.534 153 2HD LYS 20 2HD LYS 20 2.108 5.461 6.021 154 1HE LYS 20 1HE LYS 20 -0.016 4.112 5.510 155 2HE LYS 20 2HE LYS 20 0.859 3.361 4.190 156 1HZ LYS 20 1HZ LYS 20 0.965 2.109 6.335 157 2HZ LYS 20 2HZ LYS 20 2.441 2.465 5.744 158 H VAL 21 H VAL 21 2.737 9.026 1.183 159 HA VAL 21 HA VAL 21 4.426 10.980 2.320 160 HB VAL 21 HB VAL 21 3.814 10.067 -0.486 161 1HG1 VAL 21 1HG1 VAL 21 4.429 12.331 -0.823 162 2HG1 VAL 21 2HG1 VAL 21 5.695 12.257 0.425 163 3HG1 VAL 21 3HG1 VAL 21 5.908 11.384 -1.112 164 1HG2 VAL 21 1HG2 VAL 21 5.957 8.993 -0.379 165 2HG2 VAL 21 2HG2 VAL 21 6.346 9.793 1.163 166 3HG2 VAL 21 3HG2 VAL 21 5.062 8.562 1.098 167 H GLN 22 H GLN 22 1.379 11.063 0.414 168 HA GLN 22 HA GLN 22 1.446 13.831 0.024 169 1HB GLN 22 1HB GLN 22 0.087 12.221 -1.329 170 2HB GLN 22 2HB GLN 22 -0.947 11.938 0.058 171 1HG GLN 22 1HG GLN 22 -1.657 14.292 0.084 172 2HG GLN 22 2HG GLN 22 -0.503 14.698 -1.171 173 1HE2 GLN 22 1HE2 GLN 22 -3.282 12.627 -0.438 174 2HE2 GLN 22 2HE2 GLN 22 -3.963 12.587 -2.030 Start of MODEL 4 1 1HA GLY 1 1HA GLY 1 -1.009 -8.755 -2.234 2 2HA GLY 1 2HA GLY 1 -1.588 -8.380 -3.845 3 H ALA 2 H ALA 2 -0.896 -6.658 -0.712 4 HA ALA 2 HA ALA 2 0.132 -4.748 -0.281 5 1HB ALA 2 1HB ALA 2 1.888 -6.027 -1.740 6 2HB ALA 2 2HB ALA 2 1.478 -4.823 -2.985 7 3HB ALA 2 3HB ALA 2 2.132 -4.294 -1.416 8 H TYR 3 H TYR 3 0.508 -2.380 -1.205 9 HA TYR 3 HA TYR 3 -1.977 -1.719 -2.599 10 1HB TYR 3 1HB TYR 3 -0.949 0.636 -1.715 11 2HB TYR 3 2HB TYR 3 -1.797 -0.430 -0.612 12 HD1 TYR 3 HD1 TYR 3 -0.697 -1.367 1.268 13 HD2 TYR 3 HD2 TYR 3 1.602 0.522 -1.806 14 HE1 TYR 3 HE1 TYR 3 1.375 -1.483 2.736 15 HE2 TYR 3 HE2 TYR 3 3.666 0.400 -0.327 16 HH TYR 3 HH TYR 3 3.771 0.217 2.606 17 H THR 4 H THR 4 1.267 -2.294 -3.312 18 HA THR 4 HA THR 4 1.019 -0.794 -5.784 19 HB THR 4 HB THR 4 3.165 -0.308 -3.662 20 HG1 THR 4 HG1 THR 4 2.217 1.766 -3.844 21 1HG2 THR 4 1HG2 THR 4 4.393 -0.445 -5.772 22 2HG2 THR 4 2HG2 THR 4 3.104 0.433 -6.631 23 3HG2 THR 4 3HG2 THR 4 4.113 1.280 -5.433 24 H GLY 5 H GLY 5 3.092 -2.920 -3.718 25 1HA GLY 5 1HA GLY 5 3.339 -5.193 -4.634 26 2HA GLY 5 2HA GLY 5 3.701 -4.448 -6.179 27 H LEU 6 H LEU 6 5.031 -2.244 -4.165 28 HA LEU 6 HA LEU 6 7.648 -2.940 -4.719 29 1HB LEU 6 1HB LEU 6 7.222 -0.707 -4.281 30 2HB LEU 6 2HB LEU 6 6.317 -1.047 -2.820 31 HG LEU 6 HG LEU 6 8.650 -1.921 -1.938 32 1HD1 LEU 6 1HD1 LEU 6 10.563 -0.797 -2.833 33 2HD1 LEU 6 2HD1 LEU 6 9.741 -1.638 -4.169 34 3HD1 LEU 6 3HD1 LEU 6 9.557 0.122 -3.979 35 1HD2 LEU 6 1HD2 LEU 6 7.458 -0.152 -0.861 36 2HD2 LEU 6 2HD2 LEU 6 9.134 0.393 -1.112 37 3HD2 LEU 6 3HD2 LEU 6 7.836 0.985 -2.177 38 HA PRO 7 HA PRO 7 7.861 -4.809 -0.396 39 1HB PRO 7 1HB PRO 7 5.630 -4.982 1.172 40 2HB PRO 7 2HB PRO 7 6.784 -3.668 1.289 41 1HG PRO 7 1HG PRO 7 4.088 -3.664 0.078 42 2HG PRO 7 2HG PRO 7 5.067 -2.301 0.582 43 1HD PRO 7 1HD PRO 7 4.646 -3.211 -2.105 44 2HD PRO 7 2HD PRO 7 5.716 -1.921 -1.591 45 H ASN 8 H ASN 8 4.678 -5.476 -1.741 46 HA ASN 8 HA ASN 8 3.776 -7.321 -2.435 47 1HB ASN 8 1HB ASN 8 6.089 -7.548 -3.614 48 2HB ASN 8 2HB ASN 8 6.507 -8.691 -2.352 49 1HD2 ASN 8 1HD2 ASN 8 5.428 -10.655 -2.180 50 2HD2 ASN 8 2HD2 ASN 8 4.514 -11.344 -3.480 51 H LYS 9 H LYS 9 2.837 -7.417 -0.172 52 HA LYS 9 HA LYS 9 3.989 -9.641 1.366 53 1HB LYS 9 1HB LYS 9 2.676 -7.074 2.248 54 2HB LYS 9 2HB LYS 9 2.693 -8.481 3.292 55 1HG LYS 9 1HG LYS 9 5.117 -8.557 3.312 56 2HG LYS 9 2HG LYS 9 5.233 -7.397 2.003 57 1HD LYS 9 1HD LYS 9 4.328 -5.609 3.427 58 2HD LYS 9 2HD LYS 9 3.997 -6.747 4.719 59 1HE LYS 9 1HE LYS 9 6.424 -7.214 4.969 60 2HE LYS 9 2HE LYS 9 6.788 -6.156 3.620 61 1HZ LYS 9 1HZ LYS 9 5.854 -4.298 4.898 62 2HZ LYS 9 2HZ LYS 9 5.499 -5.277 6.150 63 H LYS 10 H LYS 10 0.794 -7.979 1.556 64 HA LYS 10 HA LYS 10 -0.658 -9.829 0.104 65 1HB LYS 10 1HB LYS 10 0.251 -10.929 2.575 66 2HB LYS 10 2HB LYS 10 -1.474 -10.661 2.722 67 1HG LYS 10 1HG LYS 10 -1.862 -11.884 0.585 68 2HG LYS 10 2HG LYS 10 -0.136 -12.121 0.394 69 1HD LYS 10 1HD LYS 10 -0.070 -13.423 2.524 70 2HD LYS 10 2HD LYS 10 -1.791 -13.171 2.739 71 1HE LYS 10 1HE LYS 10 -2.241 -14.376 0.593 72 2HE LYS 10 2HE LYS 10 -0.521 -14.620 0.365 73 1HZ LYS 10 1HZ LYS 10 -2.176 -15.738 2.558 74 2HZ LYS 10 2HZ LYS 10 -1.400 -16.574 1.395 75 HA PRO 11 HA PRO 11 -3.430 -7.172 2.816 76 1HB PRO 11 1HB PRO 11 -2.503 -6.024 5.116 77 2HB PRO 11 2HB PRO 11 -3.337 -7.564 5.083 78 1HG PRO 11 1HG PRO 11 -0.452 -7.026 5.440 79 2HG PRO 11 2HG PRO 11 -1.352 -8.480 5.821 80 1HD PRO 11 1HD PRO 11 0.370 -8.070 3.565 81 2HD PRO 11 2HD PRO 11 -0.620 -9.480 3.885 82 H ASN 12 H ASN 12 -3.990 -4.840 3.122 83 HA ASN 12 HA ASN 12 -1.874 -3.057 2.552 84 1HB ASN 12 1HB ASN 12 -3.128 -2.235 0.379 85 2HB ASN 12 2HB ASN 12 -2.052 -3.613 0.253 86 1HD2 ASN 12 1HD2 ASN 12 -2.837 -5.646 -0.084 87 2HD2 ASN 12 2HD2 ASN 12 -4.481 -5.999 -0.499 88 H VAL 13 H VAL 13 -2.763 -1.978 4.436 89 HA VAL 13 HA VAL 13 -5.497 -1.459 4.757 90 HB VAL 13 HB VAL 13 -2.944 -0.422 5.938 91 1HG1 VAL 13 1HG1 VAL 13 -4.410 0.853 7.587 92 2HG1 VAL 13 2HG1 VAL 13 -4.235 1.569 5.967 93 3HG1 VAL 13 3HG1 VAL 13 -5.723 0.691 6.396 94 1HG2 VAL 13 1HG2 VAL 13 -5.318 -1.769 7.256 95 2HG2 VAL 13 2HG2 VAL 13 -3.945 -2.659 6.557 96 3HG2 VAL 13 3HG2 VAL 13 -3.681 -1.540 7.916 97 HA PRO 14 HA PRO 14 -4.464 2.721 2.805 98 1HB PRO 14 1HB PRO 14 -2.027 3.138 1.641 99 2HB PRO 14 2HB PRO 14 -2.399 3.621 3.283 100 1HG PRO 14 1HG PRO 14 -0.767 1.341 2.347 101 2HG PRO 14 2HG PRO 14 -0.806 2.086 3.933 102 1HD PRO 14 1HD PRO 14 -2.024 -0.398 3.173 103 2HD PRO 14 2HD PRO 14 -2.159 0.404 4.726 104 H THR 15 H THR 15 -4.685 3.669 0.648 105 HA THR 15 HA THR 15 -5.261 1.484 -1.188 106 HB THR 15 HB THR 15 -6.827 3.481 -0.545 107 HG1 THR 15 HG1 THR 15 -7.641 2.656 -2.427 108 1HG2 THR 15 1HG2 THR 15 -6.555 5.499 -1.880 109 2HG2 THR 15 2HG2 THR 15 -5.021 5.257 -1.009 110 3HG2 THR 15 3HG2 THR 15 -5.149 4.813 -2.728 111 H ILE 16 H ILE 16 -2.823 3.923 -0.592 112 HA ILE 16 HA ILE 16 -1.253 2.859 -2.711 113 HB ILE 16 HB ILE 16 -2.835 4.420 -3.891 114 1HG1 ILE 16 1HG1 ILE 16 -0.631 5.716 -4.862 115 2HG1 ILE 16 2HG1 ILE 16 0.117 4.359 -4.042 116 1HG2 ILE 16 1HG2 ILE 16 -2.880 6.143 -2.089 117 2HG2 ILE 16 2HG2 ILE 16 -1.214 6.588 -2.532 118 3HG2 ILE 16 3HG2 ILE 16 -2.534 6.793 -3.709 119 1HD1 ILE 16 1HD1 ILE 16 -1.480 2.809 -5.252 120 2HD1 ILE 16 2HD1 ILE 16 -2.067 4.218 -6.168 121 3HD1 ILE 16 3HD1 ILE 16 -0.375 3.692 -6.332 122 H ARG 17 H ARG 17 0.950 3.304 -2.387 123 HA ARG 17 HA ARG 17 1.617 3.984 0.203 124 1HB ARG 17 1HB ARG 17 3.899 3.671 -0.492 125 2HB ARG 17 2HB ARG 17 2.958 2.583 -1.493 126 1HG ARG 17 1HG ARG 17 2.906 4.395 -3.288 127 2HG ARG 17 2HG ARG 17 4.005 5.336 -2.299 128 1HD ARG 17 1HD ARG 17 5.682 3.486 -2.380 129 2HD ARG 17 2HD ARG 17 4.581 2.518 -3.340 130 HE ARG 17 HE ARG 17 4.944 5.069 -4.614 131 1HH1 ARG 17 1HH1 ARG 17 6.687 2.046 -4.000 132 2HH1 ARG 17 2HH1 ARG 17 7.692 2.196 -5.402 133 1HH2 ARG 17 1HH2 ARG 17 7.429 4.098 -6.837 134 H THR 18 H THR 18 0.993 5.923 -2.640 135 HA THR 18 HA THR 18 2.627 8.142 -2.053 136 HB THR 18 HB THR 18 -0.057 8.168 -3.507 137 HG1 THR 18 HG1 THR 18 2.585 7.066 -4.097 138 1HG2 THR 18 1HG2 THR 18 1.186 9.673 -5.049 139 2HG2 THR 18 2HG2 THR 18 1.239 10.322 -3.393 140 3HG2 THR 18 3HG2 THR 18 2.656 9.481 -4.065 141 H ALA 19 H ALA 19 -0.304 6.922 -0.591 142 HA ALA 19 HA ALA 19 -1.293 9.368 0.376 143 1HB ALA 19 1HB ALA 19 -2.628 7.944 1.849 144 2HB ALA 19 2HB ALA 19 -2.564 7.227 0.222 145 3HB ALA 19 3HB ALA 19 -1.555 6.561 1.528 146 H LYS 20 H LYS 20 1.184 7.045 1.523 147 HA LYS 20 HA LYS 20 1.439 8.166 4.093 148 1HB LYS 20 1HB LYS 20 3.303 6.469 2.410 149 2HB LYS 20 2HB LYS 20 3.626 6.912 4.074 150 1HG LYS 20 1HG LYS 20 1.316 5.917 4.657 151 2HG LYS 20 2HG LYS 20 1.279 5.270 3.029 152 1HD LYS 20 1HD LYS 20 3.571 4.192 3.544 153 2HD LYS 20 2HD LYS 20 3.306 4.640 5.217 154 1HE LYS 20 1HE LYS 20 1.080 3.383 5.115 155 2HE LYS 20 2HE LYS 20 1.541 2.812 3.524 156 1HZ LYS 20 1HZ LYS 20 3.546 1.823 4.550 157 2HZ LYS 20 2HZ LYS 20 3.064 2.314 6.026 158 H VAL 21 H VAL 21 2.974 8.820 0.909 159 HA VAL 21 HA VAL 21 4.886 10.622 1.938 160 HB VAL 21 HB VAL 21 3.719 10.082 -0.787 161 1HG1 VAL 21 1HG1 VAL 21 5.778 12.152 0.013 162 2HG1 VAL 21 2HG1 VAL 21 5.669 11.491 -1.636 163 3HG1 VAL 21 3HG1 VAL 21 4.291 12.376 -0.939 164 1HG2 VAL 21 1HG2 VAL 21 6.521 9.619 0.278 165 2HG2 VAL 21 2HG2 VAL 21 5.230 8.394 0.309 166 3HG2 VAL 21 3HG2 VAL 21 5.822 9.024 -1.247 167 H GLN 22 H GLN 22 1.526 10.931 0.697 168 HA GLN 22 HA GLN 22 1.565 13.727 0.672 169 1HB GLN 22 1HB GLN 22 -0.059 12.281 -0.584 170 2HB GLN 22 2HB GLN 22 -0.819 11.841 0.932 171 1HG GLN 22 1HG GLN 22 -1.403 14.208 1.368 172 2HG GLN 22 2HG GLN 22 -0.555 14.711 -0.081 173 1HE2 GLN 22 1HE2 GLN 22 -1.273 13.792 -2.144 174 2HE2 GLN 22 2HE2 GLN 22 -2.960 13.497 -2.403 Start of MODEL 5 1 1HA GLY 1 1HA GLY 1 0.067 -8.475 -1.787 2 2HA GLY 1 2HA GLY 1 -0.353 -8.123 -3.452 3 H ALA 2 H ALA 2 -0.014 -6.499 -0.222 4 HA ALA 2 HA ALA 2 0.756 -4.507 0.352 5 1HB ALA 2 1HB ALA 2 2.811 -5.334 -0.726 6 2HB ALA 2 2HB ALA 2 2.252 -4.704 -2.294 7 3HB ALA 2 3HB ALA 2 2.633 -3.579 -0.968 8 H TYR 3 H TYR 3 0.900 -2.070 -0.403 9 HA TYR 3 HA TYR 3 -1.645 -1.511 -1.612 10 1HB TYR 3 1HB TYR 3 -0.188 0.869 -1.230 11 2HB TYR 3 2HB TYR 3 -1.218 0.137 -0.016 12 HD1 TYR 3 HD1 TYR 3 -0.308 -0.744 1.990 13 HD2 TYR 3 HD2 TYR 3 2.294 0.269 -1.252 14 HE1 TYR 3 HE1 TYR 3 1.711 -1.057 3.503 15 HE2 TYR 3 HE2 TYR 3 4.304 -0.047 0.272 16 HH TYR 3 HH TYR 3 4.474 -1.679 2.712 17 H THR 4 H THR 4 1.716 -1.703 -2.625 18 HA THR 4 HA THR 4 0.967 -0.397 -5.159 19 HB THR 4 HB THR 4 3.657 -0.556 -3.699 20 HG1 THR 4 HG1 THR 4 3.107 1.614 -3.263 21 1HG2 THR 4 1HG2 THR 4 3.991 -0.507 -6.170 22 2HG2 THR 4 2HG2 THR 4 2.838 0.843 -6.301 23 3HG2 THR 4 3HG2 THR 4 4.389 1.076 -5.459 24 H GLY 5 H GLY 5 3.101 -2.945 -3.707 25 1HA GLY 5 1HA GLY 5 2.664 -5.195 -4.635 26 2HA GLY 5 2HA GLY 5 2.727 -4.458 -6.224 27 H LEU 6 H LEU 6 4.921 -2.559 -4.856 28 HA LEU 6 HA LEU 6 7.115 -3.742 -6.016 29 1HB LEU 6 1HB LEU 6 7.224 -1.465 -5.609 30 2HB LEU 6 2HB LEU 6 6.722 -1.624 -3.937 31 HG LEU 6 HG LEU 6 8.934 -2.706 -3.438 32 1HD1 LEU 6 1HD1 LEU 6 10.770 -2.332 -5.081 33 2HD1 LEU 6 2HD1 LEU 6 9.557 -3.524 -5.607 34 3HD1 LEU 6 3HD1 LEU 6 9.542 -1.879 -6.288 35 1HD2 LEU 6 1HD2 LEU 6 8.526 -0.371 -2.905 36 2HD2 LEU 6 2HD2 LEU 6 10.204 -0.600 -3.451 37 3HD2 LEU 6 3HD2 LEU 6 9.000 0.112 -4.551 38 HA PRO 7 HA PRO 7 8.214 -5.585 -1.823 39 1HB PRO 7 1HB PRO 7 6.562 -5.278 0.332 40 2HB PRO 7 2HB PRO 7 7.929 -4.229 0.016 41 1HG PRO 7 1HG PRO 7 5.049 -3.682 -0.360 42 2HG PRO 7 2HG PRO 7 6.378 -2.545 -0.259 43 1HD PRO 7 1HD PRO 7 5.009 -3.377 -2.638 44 2HD PRO 7 2HD PRO 7 6.411 -2.330 -2.548 45 H ASN 8 H ASN 8 4.736 -5.600 -2.277 46 HA ASN 8 HA ASN 8 3.349 -7.232 -2.619 47 1HB ASN 8 1HB ASN 8 5.305 -8.068 -4.153 48 2HB ASN 8 2HB ASN 8 5.657 -9.214 -2.875 49 1HD2 ASN 8 1HD2 ASN 8 4.144 -10.799 -2.309 50 2HD2 ASN 8 2HD2 ASN 8 2.884 -11.307 -3.384 51 H LYS 9 H LYS 9 2.325 -7.592 -0.620 52 HA LYS 9 HA LYS 9 3.580 -9.590 1.116 53 1HB LYS 9 1HB LYS 9 2.565 -6.856 1.880 54 2HB LYS 9 2HB LYS 9 2.560 -8.170 3.038 55 1HG LYS 9 1HG LYS 9 4.982 -8.494 2.773 56 2HG LYS 9 2HG LYS 9 5.037 -7.332 1.462 57 1HD LYS 9 1HD LYS 9 4.369 -5.510 2.994 58 2HD LYS 9 2HD LYS 9 4.167 -6.649 4.310 59 1HE LYS 9 1HE LYS 9 6.588 -7.220 4.218 60 2HE LYS 9 2HE LYS 9 6.807 -6.140 2.856 61 1HZ LYS 9 1HZ LYS 9 6.036 -5.355 5.611 62 2HZ LYS 9 2HZ LYS 9 7.405 -4.952 4.827 63 H LYS 10 H LYS 10 0.588 -7.722 1.702 64 HA LYS 10 HA LYS 10 -1.198 -9.415 0.439 65 1HB LYS 10 1HB LYS 10 -0.022 -10.650 2.729 66 2HB LYS 10 2HB LYS 10 -1.685 -10.270 3.127 67 1HG LYS 10 1HG LYS 10 -2.459 -11.400 1.046 68 2HG LYS 10 2HG LYS 10 -0.800 -11.744 0.601 69 1HD LYS 10 1HD LYS 10 -0.519 -13.114 2.670 70 2HD LYS 10 2HD LYS 10 -2.168 -12.754 3.140 71 1HE LYS 10 1HE LYS 10 -3.009 -13.859 1.059 72 2HE LYS 10 2HE LYS 10 -1.362 -14.210 0.576 73 1HZ LYS 10 1HZ LYS 10 -2.500 -16.072 1.766 74 2HZ LYS 10 2HZ LYS 10 -1.103 -15.635 2.479 75 HA PRO 11 HA PRO 11 -3.379 -6.682 3.569 76 1HB PRO 11 1HB PRO 11 -2.118 -5.779 5.819 77 2HB PRO 11 2HB PRO 11 -3.090 -7.237 5.784 78 1HG PRO 11 1HG PRO 11 -0.147 -6.974 5.858 79 2HG PRO 11 2HG PRO 11 -1.134 -8.368 6.247 80 1HD PRO 11 1HD PRO 11 0.379 -7.952 3.846 81 2HD PRO 11 2HD PRO 11 -0.699 -9.291 4.186 82 H ASN 12 H ASN 12 -3.915 -4.511 3.411 83 HA ASN 12 HA ASN 12 -1.869 -2.613 3.338 84 1HB ASN 12 1HB ASN 12 -2.261 -1.965 0.861 85 2HB ASN 12 2HB ASN 12 -1.278 -3.389 1.137 86 1HD2 ASN 12 1HD2 ASN 12 -3.806 -2.133 -0.563 87 2HD2 ASN 12 2HD2 ASN 12 -4.618 -3.576 -1.073 88 H VAL 13 H VAL 13 -3.290 -1.359 4.649 89 HA VAL 13 HA VAL 13 -6.043 -1.151 4.190 90 HB VAL 13 HB VAL 13 -3.993 0.341 5.786 91 1HG1 VAL 13 1HG1 VAL 13 -6.872 1.175 5.348 92 2HG1 VAL 13 2HG1 VAL 13 -5.927 1.662 6.776 93 3HG1 VAL 13 3HG1 VAL 13 -5.396 2.150 5.149 94 1HG2 VAL 13 1HG2 VAL 13 -6.526 -1.073 6.665 95 2HG2 VAL 13 2HG2 VAL 13 -4.954 -1.889 6.490 96 3HG2 VAL 13 3HG2 VAL 13 -5.145 -0.570 7.669 97 HA PRO 14 HA PRO 14 -4.879 2.813 1.884 98 1HB PRO 14 1HB PRO 14 -2.271 3.304 1.232 99 2HB PRO 14 2HB PRO 14 -3.048 3.979 2.651 100 1HG PRO 14 1HG PRO 14 -1.095 1.766 2.483 101 2HG PRO 14 2HG PRO 14 -1.552 2.723 3.878 102 1HD PRO 14 1HD PRO 14 -2.392 0.045 3.285 103 2HD PRO 14 2HD PRO 14 -2.938 1.044 4.617 104 H THR 15 H THR 15 -4.581 3.432 -0.403 105 HA THR 15 HA THR 15 -4.514 0.941 -1.934 106 HB THR 15 HB THR 15 -6.438 2.736 -1.934 107 HG1 THR 15 HG1 THR 15 -6.732 1.510 -3.750 108 1HG2 THR 15 1HG2 THR 15 -4.538 3.966 -3.990 109 2HG2 THR 15 2HG2 THR 15 -6.157 4.547 -3.530 110 3HG2 THR 15 3HG2 THR 15 -4.803 4.681 -2.382 111 H ILE 16 H ILE 16 -2.525 3.634 -1.113 112 HA ILE 16 HA ILE 16 -0.512 2.669 -2.899 113 HB ILE 16 HB ILE 16 -1.950 4.159 -4.326 114 1HG1 ILE 16 1HG1 ILE 16 0.301 5.612 -4.866 115 2HG1 ILE 16 2HG1 ILE 16 0.978 4.289 -3.938 116 1HG2 ILE 16 1HG2 ILE 16 -0.741 6.397 -2.684 117 2HG2 ILE 16 2HG2 ILE 16 -1.862 6.535 -4.060 118 3HG2 ILE 16 3HG2 ILE 16 -2.421 5.829 -2.524 119 1HD1 ILE 16 1HD1 ILE 16 0.955 3.641 -6.285 120 2HD1 ILE 16 2HD1 ILE 16 -0.267 2.666 -5.433 121 3HD1 ILE 16 3HD1 ILE 16 -0.771 4.055 -6.427 122 H ARG 17 H ARG 17 1.553 3.187 -2.144 123 HA ARG 17 HA ARG 17 1.678 3.903 0.523 124 1HB ARG 17 1HB ARG 17 4.046 3.621 0.301 125 2HB ARG 17 2HB ARG 17 3.362 2.533 -0.889 126 1HG ARG 17 1HG ARG 17 3.641 4.386 -2.627 127 2HG ARG 17 2HG ARG 17 4.501 5.316 -1.415 128 1HD ARG 17 1HD ARG 17 6.086 3.300 -1.156 129 2HD ARG 17 2HD ARG 17 5.313 2.608 -2.569 130 HE ARG 17 HE ARG 17 7.157 4.888 -2.525 131 1HH1 ARG 17 1HH1 ARG 17 4.621 3.250 -4.381 132 2HH1 ARG 17 2HH1 ARG 17 5.123 3.923 -5.896 133 1HH2 ARG 17 1HH2 ARG 17 7.006 5.404 -5.956 134 H THR 18 H THR 18 1.501 5.797 -2.394 135 HA THR 18 HA THR 18 2.953 8.069 -1.566 136 HB THR 18 HB THR 18 0.571 7.988 -3.474 137 HG1 THR 18 HG1 THR 18 3.308 6.973 -3.553 138 1HG2 THR 18 1HG2 THR 18 3.288 9.406 -3.556 139 2HG2 THR 18 2HG2 THR 18 2.009 9.534 -4.787 140 3HG2 THR 18 3HG2 THR 18 1.743 10.194 -3.156 141 H ALA 19 H ALA 19 -0.152 6.770 -0.627 142 HA ALA 19 HA ALA 19 -1.368 9.194 0.114 143 1HB ALA 19 1HB ALA 19 -1.748 6.386 1.230 144 2HB ALA 19 2HB ALA 19 -2.897 7.739 1.357 145 3HB ALA 19 3HB ALA 19 -2.537 7.023 -0.232 146 H LYS 20 H LYS 20 0.932 6.958 1.714 147 HA LYS 20 HA LYS 20 0.694 8.102 4.274 148 1HB LYS 20 1HB LYS 20 2.862 6.448 2.955 149 2HB LYS 20 2HB LYS 20 2.911 6.934 4.637 150 1HG LYS 20 1HG LYS 20 0.594 5.867 4.911 151 2HG LYS 20 2HG LYS 20 0.772 5.224 3.290 152 1HD LYS 20 1HD LYS 20 2.978 4.161 4.063 153 2HD LYS 20 2HD LYS 20 2.559 4.643 5.695 154 1HE LYS 20 1HE LYS 20 0.365 3.366 5.433 155 2HE LYS 20 2HE LYS 20 0.949 2.779 3.888 156 1HZ LYS 20 1HZ LYS 20 2.868 1.804 5.073 157 2HZ LYS 20 2HZ LYS 20 2.282 2.316 6.504 158 H VAL 21 H VAL 21 2.748 8.794 1.406 159 HA VAL 21 HA VAL 21 4.383 10.668 2.737 160 HB VAL 21 HB VAL 21 3.740 10.070 -0.145 161 1HG1 VAL 21 1HG1 VAL 21 5.757 11.547 -0.652 162 2HG1 VAL 21 2HG1 VAL 21 4.246 12.384 -0.221 163 3HG1 VAL 21 3HG1 VAL 21 5.548 12.221 0.982 164 1HG2 VAL 21 1HG2 VAL 21 6.323 9.721 1.407 165 2HG2 VAL 21 2HG2 VAL 21 5.092 8.448 1.224 166 3HG2 VAL 21 3HG2 VAL 21 5.928 9.090 -0.210 167 H GLN 22 H GLN 22 1.293 10.853 0.908 168 HA GLN 22 HA GLN 22 1.240 13.649 0.865 169 1HB GLN 22 1HB GLN 22 -0.078 12.139 -0.651 170 2HB GLN 22 2HB GLN 22 -1.087 11.683 0.707 171 1HG GLN 22 1HG GLN 22 -1.813 14.035 1.001 172 2HG GLN 22 2HG GLN 22 -0.735 14.554 -0.279 173 1HE2 GLN 22 1HE2 GLN 22 -1.041 13.593 -2.424 174 2HE2 GLN 22 2HE2 GLN 22 -2.644 13.241 -2.978 Start of MODEL 6 1 1HA GLY 1 1HA GLY 1 -1.883 -8.341 -1.899 2 2HA GLY 1 2HA GLY 1 -0.149 -8.504 -2.087 3 H ALA 2 H ALA 2 1.143 -6.367 -2.208 4 HA ALA 2 HA ALA 2 0.453 -4.825 0.065 5 1HB ALA 2 1HB ALA 2 2.507 -3.550 -0.592 6 2HB ALA 2 2HB ALA 2 2.769 -5.308 -0.503 7 3HB ALA 2 3HB ALA 2 2.585 -4.514 -2.086 8 H TYR 3 H TYR 3 0.536 -2.296 -0.121 9 HA TYR 3 HA TYR 3 -1.728 -1.515 -1.574 10 1HB TYR 3 1HB TYR 3 -0.217 0.780 -0.965 11 2HB TYR 3 2HB TYR 3 -1.318 0.001 0.154 12 HD1 TYR 3 HD1 TYR 3 -0.515 -1.149 2.089 13 HD2 TYR 3 HD2 TYR 3 2.239 0.208 -0.890 14 HE1 TYR 3 HE1 TYR 3 1.429 -1.630 3.657 15 HE2 TYR 3 HE2 TYR 3 4.173 -0.277 0.687 16 HH TYR 3 HH TYR 3 4.109 -0.421 3.623 17 H THR 4 H THR 4 1.733 -1.589 -2.360 18 HA THR 4 HA THR 4 1.123 -0.166 -4.867 19 HB THR 4 HB THR 4 3.730 -0.472 -3.286 20 HG1 THR 4 HG1 THR 4 3.180 1.662 -2.705 21 1HG2 THR 4 1HG2 THR 4 4.207 -0.235 -5.714 22 2HG2 THR 4 2HG2 THR 4 3.049 1.113 -5.819 23 3HG2 THR 4 3HG2 THR 4 4.548 1.299 -4.878 24 H GLY 5 H GLY 5 3.147 -2.836 -3.478 25 1HA GLY 5 1HA GLY 5 2.768 -5.017 -4.549 26 2HA GLY 5 2HA GLY 5 2.852 -4.193 -6.093 27 H LEU 6 H LEU 6 5.014 -2.368 -4.570 28 HA LEU 6 HA LEU 6 7.233 -3.483 -5.761 29 1HB LEU 6 1HB LEU 6 7.325 -1.227 -5.246 30 2HB LEU 6 2HB LEU 6 6.795 -1.466 -3.592 31 HG LEU 6 HG LEU 6 9.003 -2.561 -3.104 32 1HD1 LEU 6 1HD1 LEU 6 9.656 -1.606 -5.903 33 2HD1 LEU 6 2HD1 LEU 6 10.866 -2.106 -4.697 34 3HD1 LEU 6 3HD1 LEU 6 9.668 -3.279 -5.295 35 1HD2 LEU 6 1HD2 LEU 6 8.575 -0.252 -2.475 36 2HD2 LEU 6 2HD2 LEU 6 10.264 -0.453 -2.999 37 3HD2 LEU 6 3HD2 LEU 6 9.077 0.305 -4.089 38 HA PRO 7 HA PRO 7 8.259 -5.517 -1.637 39 1HB PRO 7 1HB PRO 7 6.549 -5.337 0.488 40 2HB PRO 7 2HB PRO 7 7.912 -4.259 0.261 41 1HG PRO 7 1HG PRO 7 5.036 -3.725 -0.162 42 2HG PRO 7 2HG PRO 7 6.348 -2.580 0.030 43 1HD PRO 7 1HD PRO 7 5.049 -3.305 -2.422 44 2HD PRO 7 2HD PRO 7 6.436 -2.249 -2.243 45 H ASN 8 H ASN 8 4.781 -5.547 -2.130 46 HA ASN 8 HA ASN 8 3.422 -7.174 -2.588 47 1HB ASN 8 1HB ASN 8 5.408 -7.894 -4.144 48 2HB ASN 8 2HB ASN 8 5.756 -9.112 -2.933 49 1HD2 ASN 8 1HD2 ASN 8 4.250 -10.740 -2.480 50 2HD2 ASN 8 2HD2 ASN 8 3.010 -11.197 -3.600 51 H LYS 9 H LYS 9 2.382 -7.662 -0.625 52 HA LYS 9 HA LYS 9 3.654 -9.733 1.013 53 1HB LYS 9 1HB LYS 9 2.569 -7.067 1.906 54 2HB LYS 9 2HB LYS 9 2.560 -8.443 2.991 55 1HG LYS 9 1HG LYS 9 4.988 -8.710 2.782 56 2HG LYS 9 2HG LYS 9 5.061 -7.499 1.517 57 1HD LYS 9 1HD LYS 9 4.337 -5.741 3.094 58 2HD LYS 9 2HD LYS 9 4.104 -6.929 4.362 59 1HE LYS 9 1HE LYS 9 6.531 -7.478 4.327 60 2HE LYS 9 2HE LYS 9 6.784 -6.351 3.009 61 1HZ LYS 9 1HZ LYS 9 6.036 -4.552 4.484 62 2HZ LYS 9 2HZ LYS 9 5.793 -5.598 5.708 63 H LYS 10 H LYS 10 0.598 -7.945 1.581 64 HA LYS 10 HA LYS 10 -1.106 -9.651 0.222 65 1HB LYS 10 1HB LYS 10 0.024 -10.908 2.523 66 2HB LYS 10 2HB LYS 10 -1.658 -10.572 2.877 67 1HG LYS 10 1HG LYS 10 -2.343 -11.673 0.748 68 2HG LYS 10 2HG LYS 10 -0.663 -11.975 0.351 69 1HD LYS 10 1HD LYS 10 -0.421 -13.380 2.401 70 2HD LYS 10 2HD LYS 10 -2.093 -13.063 2.823 71 1HE LYS 10 1HE LYS 10 -2.840 -14.143 0.694 72 2HE LYS 10 2HE LYS 10 -1.170 -14.450 0.260 73 1HZ LYS 10 1HZ LYS 10 -0.966 -15.829 2.269 74 2HZ LYS 10 2HZ LYS 10 -2.518 -15.543 2.673 75 HA PRO 11 HA PRO 11 -3.438 -7.025 3.339 76 1HB PRO 11 1HB PRO 11 -2.247 -6.107 5.621 77 2HB PRO 11 2HB PRO 11 -3.175 -7.592 5.555 78 1HG PRO 11 1HG PRO 11 -0.243 -7.244 5.689 79 2HG PRO 11 2HG PRO 11 -1.196 -8.670 6.046 80 1HD PRO 11 1HD PRO 11 0.350 -8.188 3.678 81 2HD PRO 11 2HD PRO 11 -0.696 -9.560 3.986 82 H ASN 12 H ASN 12 -4.017 -4.837 3.297 83 HA ASN 12 HA ASN 12 -1.968 -2.928 3.179 84 1HB ASN 12 1HB ASN 12 -2.461 -2.202 0.768 85 2HB ASN 12 2HB ASN 12 -1.552 -3.692 0.915 86 1HD2 ASN 12 1HD2 ASN 12 -3.915 -2.275 -0.749 87 2HD2 ASN 12 2HD2 ASN 12 -4.911 -3.620 -1.196 88 H VAL 13 H VAL 13 -3.344 -1.800 4.672 89 HA VAL 13 HA VAL 13 -6.110 -1.538 4.328 90 HB VAL 13 HB VAL 13 -3.992 -0.186 5.961 91 1HG1 VAL 13 1HG1 VAL 13 -5.884 1.059 7.120 92 2HG1 VAL 13 2HG1 VAL 13 -5.403 1.674 5.521 93 3HG1 VAL 13 3HG1 VAL 13 -6.878 0.692 5.690 94 1HG2 VAL 13 1HG2 VAL 13 -5.082 -1.236 7.808 95 2HG2 VAL 13 2HG2 VAL 13 -6.501 -1.655 6.819 96 3HG2 VAL 13 3HG2 VAL 13 -4.942 -2.461 6.524 97 HA PRO 14 HA PRO 14 -4.995 2.587 2.301 98 1HB PRO 14 1HB PRO 14 -2.404 3.129 1.622 99 2HB PRO 14 2HB PRO 14 -3.143 3.690 3.109 100 1HG PRO 14 1HG PRO 14 -1.198 1.498 2.717 101 2HG PRO 14 2HG PRO 14 -1.617 2.344 4.194 102 1HD PRO 14 1HD PRO 14 -2.476 -0.280 3.416 103 2HD PRO 14 2HD PRO 14 -2.986 0.611 4.836 104 H THR 15 H THR 15 -4.773 3.379 0.065 105 HA THR 15 HA THR 15 -4.820 1.029 -1.658 106 HB THR 15 HB THR 15 -6.600 2.972 -1.496 107 HG1 THR 15 HG1 THR 15 -5.225 1.974 -3.883 108 1HG2 THR 15 1HG2 THR 15 -4.854 4.817 -1.850 109 2HG2 THR 15 2HG2 THR 15 -4.603 4.163 -3.487 110 3HG2 THR 15 3HG2 THR 15 -6.188 4.830 -3.028 111 H ILE 16 H ILE 16 -2.738 3.701 -0.781 112 HA ILE 16 HA ILE 16 -0.690 2.634 -2.445 113 HB ILE 16 HB ILE 16 -2.119 4.013 -4.018 114 1HG1 ILE 16 1HG1 ILE 16 0.155 5.329 -4.710 115 2HG1 ILE 16 2HG1 ILE 16 0.818 4.128 -3.620 116 1HG2 ILE 16 1HG2 ILE 16 -1.988 6.390 -3.965 117 2HG2 ILE 16 2HG2 ILE 16 -2.520 5.854 -2.354 118 3HG2 ILE 16 3HG2 ILE 16 -0.834 6.363 -2.610 119 1HD1 ILE 16 1HD1 ILE 16 -0.915 3.603 -6.075 120 2HD1 ILE 16 2HD1 ILE 16 0.800 3.181 -5.859 121 3HD1 ILE 16 3HD1 ILE 16 -0.449 2.344 -4.907 122 H ARG 17 H ARG 17 1.324 3.146 -1.609 123 HA ARG 17 HA ARG 17 1.326 4.201 0.958 124 1HB ARG 17 1HB ARG 17 3.668 3.737 0.949 125 2HB ARG 17 2HB ARG 17 3.001 2.556 -0.160 126 1HG ARG 17 1HG ARG 17 3.561 4.081 -2.086 127 2HG ARG 17 2HG ARG 17 4.280 5.214 -0.959 128 1HD ARG 17 1HD ARG 17 5.907 3.449 -0.229 129 2HD ARG 17 2HD ARG 17 5.191 2.322 -1.364 130 HE ARG 17 HE ARG 17 5.883 4.655 -2.832 131 1HH1 ARG 17 1HH1 ARG 17 7.526 2.073 -1.046 132 2HH1 ARG 17 2HH1 ARG 17 8.972 2.168 -1.994 133 1HH2 ARG 17 1HH2 ARG 17 9.106 3.768 -3.773 134 H THR 18 H THR 18 1.410 5.676 -2.187 135 HA THR 18 HA THR 18 2.973 7.952 -1.607 136 HB THR 18 HB THR 18 0.695 7.540 -3.616 137 HG1 THR 18 HG1 THR 18 2.367 6.550 -4.810 138 1HG2 THR 18 1HG2 THR 18 3.168 9.351 -3.614 139 2HG2 THR 18 2HG2 THR 18 2.075 9.118 -5.000 140 3HG2 THR 18 3HG2 THR 18 1.479 9.903 -3.517 141 H ALA 19 H ALA 19 -0.256 6.988 -0.666 142 HA ALA 19 HA ALA 19 -1.279 9.595 -0.281 143 1HB ALA 19 1HB ALA 19 -2.035 6.948 1.021 144 2HB ALA 19 2HB ALA 19 -3.034 8.420 0.972 145 3HB ALA 19 3HB ALA 19 -2.660 7.548 -0.534 146 H LYS 20 H LYS 20 0.573 7.260 1.730 147 HA LYS 20 HA LYS 20 0.325 8.789 4.102 148 1HB LYS 20 1HB LYS 20 2.023 6.462 3.219 149 2HB LYS 20 2HB LYS 20 2.342 7.267 4.742 150 1HG LYS 20 1HG LYS 20 0.059 6.831 5.527 151 2HG LYS 20 2HG LYS 20 -0.413 6.212 3.957 152 1HD LYS 20 1HD LYS 20 1.014 4.269 4.183 153 2HD LYS 20 2HD LYS 20 1.844 4.950 5.568 154 1HE LYS 20 1HE LYS 20 -1.153 4.413 5.630 155 2HE LYS 20 2HE LYS 20 0.004 3.154 6.013 156 1HZ LYS 20 1HZ LYS 20 -0.568 5.609 7.509 157 2HZ LYS 20 2HZ LYS 20 -0.312 4.104 8.075 158 H VAL 21 H VAL 21 2.587 8.706 1.338 159 HA VAL 21 HA VAL 21 4.588 10.268 2.548 160 HB VAL 21 HB VAL 21 3.813 9.642 -0.296 161 1HG1 VAL 21 1HG1 VAL 21 4.834 11.755 -0.546 162 2HG1 VAL 21 2HG1 VAL 21 6.045 11.415 0.714 163 3HG1 VAL 21 3HG1 VAL 21 6.134 10.578 -0.853 164 1HG2 VAL 21 1HG2 VAL 21 5.692 8.169 -0.275 165 2HG2 VAL 21 2HG2 VAL 21 6.272 8.822 1.276 166 3HG2 VAL 21 3HG2 VAL 21 4.775 7.860 1.219 167 H GLN 22 H GLN 22 2.041 11.163 0.105 168 HA GLN 22 HA GLN 22 2.548 13.902 0.487 169 1HB GLN 22 1HB GLN 22 0.803 14.262 -1.104 170 2HB GLN 22 2HB GLN 22 1.587 12.774 -1.597 171 1HG GLN 22 1HG GLN 22 -0.526 11.902 -1.617 172 2HG GLN 22 2HG GLN 22 -0.329 11.786 0.121 173 1HE2 GLN 22 1HE2 GLN 22 -1.410 13.916 -2.488 174 2HE2 GLN 22 2HE2 GLN 22 -2.629 14.768 -1.600 Start of MODEL 7 1 1HA GLY 1 1HA GLY 1 0.530 -8.888 -1.723 2 2HA GLY 1 2HA GLY 1 -0.157 -8.034 -3.090 3 H ALA 2 H ALA 2 1.373 -6.280 -2.330 4 HA ALA 2 HA ALA 2 0.555 -4.933 0.100 5 1HB ALA 2 1HB ALA 2 2.469 -3.405 -0.567 6 2HB ALA 2 2HB ALA 2 2.920 -5.105 -0.297 7 3HB ALA 2 3HB ALA 2 2.749 -4.482 -1.956 8 H TYR 3 H TYR 3 0.271 -2.452 -0.062 9 HA TYR 3 HA TYR 3 -1.999 -1.888 -1.496 10 1HB TYR 3 1HB TYR 3 -0.616 0.543 -1.184 11 2HB TYR 3 2HB TYR 3 -1.581 -0.208 0.071 12 HD1 TYR 3 HD1 TYR 3 -0.525 -1.414 1.924 13 HD2 TYR 3 HD2 TYR 3 1.831 0.418 -1.141 14 HE1 TYR 3 HE1 TYR 3 1.549 -1.633 3.378 15 HE2 TYR 3 HE2 TYR 3 3.897 0.193 0.323 16 HH TYR 3 HH TYR 3 4.356 -1.721 2.507 17 H THR 4 H THR 4 1.444 -1.545 -2.447 18 HA THR 4 HA THR 4 0.546 -0.474 -5.034 19 HB THR 4 HB THR 4 3.276 -0.465 -3.639 20 HG1 THR 4 HG1 THR 4 2.602 1.674 -3.162 21 1HG2 THR 4 1HG2 THR 4 3.574 -0.310 -6.087 22 2HG2 THR 4 2HG2 THR 4 2.253 0.878 -6.196 23 3HG2 THR 4 3HG2 THR 4 3.773 1.311 -5.377 24 H GLY 5 H GLY 5 2.771 -2.919 -3.555 25 1HA GLY 5 1HA GLY 5 2.564 -5.174 -4.436 26 2HA GLY 5 2HA GLY 5 2.436 -4.486 -6.042 27 H LEU 6 H LEU 6 4.545 -2.354 -4.908 28 HA LEU 6 HA LEU 6 6.755 -3.492 -6.164 29 1HB LEU 6 1HB LEU 6 6.081 -1.050 -4.715 30 2HB LEU 6 2HB LEU 6 7.745 -1.542 -4.468 31 HG LEU 6 HG LEU 6 6.628 -1.421 -7.257 32 1HD1 LEU 6 1HD1 LEU 6 7.518 0.933 -5.582 33 2HD1 LEU 6 2HD1 LEU 6 7.500 0.950 -7.362 34 3HD1 LEU 6 3HD1 LEU 6 5.984 0.714 -6.459 35 1HD2 LEU 6 1HD2 LEU 6 9.411 -0.823 -6.231 36 2HD2 LEU 6 2HD2 LEU 6 8.868 -2.440 -6.742 37 3HD2 LEU 6 3HD2 LEU 6 8.893 -1.098 -7.912 38 HA PRO 7 HA PRO 7 8.283 -4.563 -1.835 39 1HB PRO 7 1HB PRO 7 6.703 -4.144 0.356 40 2HB PRO 7 2HB PRO 7 7.919 -3.002 -0.182 41 1HG PRO 7 1HG PRO 7 4.979 -2.845 -0.453 42 2HG PRO 7 2HG PRO 7 6.164 -1.561 -0.588 43 1HD PRO 7 1HD PRO 7 4.800 -2.872 -2.745 44 2HD PRO 7 2HD PRO 7 6.068 -1.670 -2.883 45 H ASN 8 H ASN 8 4.853 -5.068 -2.238 46 HA ASN 8 HA ASN 8 3.673 -6.886 -2.293 47 1HB ASN 8 1HB ASN 8 5.712 -7.749 -3.663 48 2HB ASN 8 2HB ASN 8 6.229 -8.560 -2.198 49 1HD2 ASN 8 1HD2 ASN 8 3.513 -8.183 -4.435 50 2HD2 ASN 8 2HD2 ASN 8 2.849 -9.773 -4.260 51 H LYS 9 H LYS 9 2.556 -7.390 -0.404 52 HA LYS 9 HA LYS 9 4.084 -8.634 1.759 53 1HB LYS 9 1HB LYS 9 2.334 -6.184 1.946 54 2HB LYS 9 2HB LYS 9 2.568 -7.237 3.327 55 1HG LYS 9 1HG LYS 9 5.036 -6.954 3.147 56 2HG LYS 9 2HG LYS 9 4.831 -5.945 1.730 57 1HD LYS 9 1HD LYS 9 3.547 -4.287 3.077 58 2HD LYS 9 2HD LYS 9 3.699 -5.305 4.496 59 1HE LYS 9 1HE LYS 9 6.187 -5.093 4.392 60 2HE LYS 9 2HE LYS 9 6.048 -4.095 2.958 61 1HZ LYS 9 1HZ LYS 9 5.057 -3.416 5.671 62 2HZ LYS 9 2HZ LYS 9 6.224 -2.647 4.836 63 H LYS 10 H LYS 10 0.671 -7.540 1.751 64 HA LYS 10 HA LYS 10 -0.469 -9.863 0.762 65 1HB LYS 10 1HB LYS 10 0.669 -10.267 3.343 66 2HB LYS 10 2HB LYS 10 -1.072 -10.248 3.540 67 1HG LYS 10 1HG LYS 10 -1.308 -11.932 1.713 68 2HG LYS 10 2HG LYS 10 0.429 -11.936 1.482 69 1HD LYS 10 1HD LYS 10 0.746 -12.735 3.829 70 2HD LYS 10 2HD LYS 10 -0.990 -12.717 4.074 71 1HE LYS 10 1HE LYS 10 -1.270 -14.398 2.241 72 2HE LYS 10 2HE LYS 10 0.464 -14.413 1.986 73 1HZ LYS 10 1HZ LYS 10 -0.370 -16.218 3.477 74 2HZ LYS 10 2HZ LYS 10 0.781 -15.307 4.181 75 HA PRO 11 HA PRO 11 -3.581 -7.163 3.038 76 1HB PRO 11 1HB PRO 11 -2.779 -5.355 4.924 77 2HB PRO 11 2HB PRO 11 -3.319 -6.974 5.318 78 1HG PRO 11 1HG PRO 11 -0.568 -5.893 5.293 79 2HG PRO 11 2HG PRO 11 -1.171 -7.341 6.074 80 1HD PRO 11 1HD PRO 11 0.349 -7.207 3.645 81 2HD PRO 11 2HD PRO 11 -0.353 -8.642 4.364 82 H ASN 12 H ASN 12 -4.633 -5.143 2.571 83 HA ASN 12 HA ASN 12 -2.799 -3.296 1.295 84 1HB ASN 12 1HB ASN 12 -5.439 -4.148 0.006 85 2HB ASN 12 2HB ASN 12 -4.203 -3.129 -0.705 86 1HD2 ASN 12 1HD2 ASN 12 -2.895 -4.046 -2.078 87 2HD2 ASN 12 2HD2 ASN 12 -2.465 -5.722 -2.167 88 H VAL 13 H VAL 13 -3.687 -2.692 3.751 89 HA VAL 13 HA VAL 13 -6.285 -1.786 4.068 90 HB VAL 13 HB VAL 13 -3.643 -1.107 5.334 91 1HG1 VAL 13 1HG1 VAL 13 -4.797 0.941 5.606 92 2HG1 VAL 13 2HG1 VAL 13 -6.347 0.122 5.915 93 3HG1 VAL 13 3HG1 VAL 13 -5.046 0.053 7.128 94 1HG2 VAL 13 1HG2 VAL 13 -4.443 -2.392 7.181 95 2HG2 VAL 13 2HG2 VAL 13 -6.093 -2.447 6.514 96 3HG2 VAL 13 3HG2 VAL 13 -4.778 -3.336 5.709 97 HA PRO 14 HA PRO 14 -4.794 2.424 2.564 98 1HB PRO 14 1HB PRO 14 -2.220 2.799 1.727 99 2HB PRO 14 2HB PRO 14 -2.758 3.147 3.359 100 1HG PRO 14 1HG PRO 14 -1.144 0.870 2.385 101 2HG PRO 14 2HG PRO 14 -1.330 1.462 4.024 102 1HD PRO 14 1HD PRO 14 -2.574 -0.859 2.886 103 2HD PRO 14 2HD PRO 14 -2.849 -0.201 4.486 104 H THR 15 H THR 15 -4.675 3.591 0.496 105 HA THR 15 HA THR 15 -5.232 1.655 -1.590 106 HB THR 15 HB THR 15 -5.403 4.714 -1.478 107 HG1 THR 15 HG1 THR 15 -7.218 4.144 -0.353 108 1HG2 THR 15 1HG2 THR 15 -7.054 4.375 -3.343 109 2HG2 THR 15 2HG2 THR 15 -5.415 3.874 -3.823 110 3HG2 THR 15 3HG2 THR 15 -6.628 2.648 -3.383 111 H ILE 16 H ILE 16 -2.751 4.071 -0.709 112 HA ILE 16 HA ILE 16 -0.912 2.783 -2.462 113 HB ILE 16 HB ILE 16 -2.270 4.247 -3.996 114 1HG1 ILE 16 1HG1 ILE 16 0.070 5.412 -4.770 115 2HG1 ILE 16 2HG1 ILE 16 0.676 4.155 -3.708 116 1HG2 ILE 16 1HG2 ILE 16 -2.515 6.130 -2.371 117 2HG2 ILE 16 2HG2 ILE 16 -0.798 6.515 -2.634 118 3HG2 ILE 16 3HG2 ILE 16 -1.951 6.618 -3.986 119 1HD1 ILE 16 1HD1 ILE 16 -0.760 2.480 -4.957 120 2HD1 ILE 16 2HD1 ILE 16 -1.181 3.778 -6.100 121 3HD1 ILE 16 3HD1 ILE 16 0.507 3.234 -5.954 122 H ARG 17 H ARG 17 1.207 3.159 -1.798 123 HA ARG 17 HA ARG 17 1.491 4.142 0.766 124 1HB ARG 17 1HB ARG 17 3.830 3.646 0.504 125 2HB ARG 17 2HB ARG 17 2.997 2.478 -0.503 126 1HG ARG 17 1HG ARG 17 3.347 4.049 -2.484 127 2HG ARG 17 2HG ARG 17 4.332 5.058 -1.444 128 1HD ARG 17 1HD ARG 17 5.844 3.088 -1.004 129 2HD ARG 17 2HD ARG 17 4.877 2.120 -2.099 130 HE ARG 17 HE ARG 17 5.642 4.493 -3.485 131 1HH1 ARG 17 1HH1 ARG 17 7.143 1.568 -2.164 132 2HH1 ARG 17 2HH1 ARG 17 8.447 1.572 -3.304 133 1HH2 ARG 17 1HH2 ARG 17 8.555 3.305 -4.957 134 H THR 18 H THR 18 1.457 5.715 -2.359 135 HA THR 18 HA THR 18 3.113 7.917 -1.807 136 HB THR 18 HB THR 18 0.685 7.645 -3.658 137 HG1 THR 18 HG1 THR 18 2.248 6.675 -5.008 138 1HG2 THR 18 1HG2 THR 18 1.531 9.987 -3.522 139 2HG2 THR 18 2HG2 THR 18 3.193 9.403 -3.774 140 3HG2 THR 18 3HG2 THR 18 1.990 9.252 -5.076 141 H ALA 19 H ALA 19 -0.121 7.064 -0.730 142 HA ALA 19 HA ALA 19 -0.950 9.705 -0.141 143 1HB ALA 19 1HB ALA 19 -2.465 7.751 -0.459 144 2HB ALA 19 2HB ALA 19 -1.835 7.044 1.048 145 3HB ALA 19 3HB ALA 19 -2.737 8.578 1.093 146 H LYS 20 H LYS 20 0.720 7.083 1.692 147 HA LYS 20 HA LYS 20 0.696 8.439 4.150 148 1HB LYS 20 1HB LYS 20 2.321 6.165 3.010 149 2HB LYS 20 2HB LYS 20 2.645 6.804 4.609 150 1HG LYS 20 1HG LYS 20 0.325 6.347 5.315 151 2HG LYS 20 2HG LYS 20 -0.107 5.846 3.693 152 1HD LYS 20 1HD LYS 20 1.363 3.905 3.810 153 2HD LYS 20 2HD LYS 20 2.085 4.467 5.304 154 1HE LYS 20 1HE LYS 20 -0.881 3.794 5.034 155 2HE LYS 20 2HE LYS 20 0.319 2.636 5.570 156 1HZ LYS 20 1HZ LYS 20 -0.809 3.871 7.409 157 2HZ LYS 20 2HZ LYS 20 0.812 4.018 7.460 158 H VAL 21 H VAL 21 2.873 8.487 1.309 159 HA VAL 21 HA VAL 21 4.925 9.942 2.596 160 HB VAL 21 HB VAL 21 4.162 9.425 -0.274 161 1HG1 VAL 21 1HG1 VAL 21 5.248 11.525 -0.417 162 2HG1 VAL 21 2HG1 VAL 21 6.453 11.077 0.815 163 3HG1 VAL 21 3HG1 VAL 21 6.498 10.315 -0.793 164 1HG2 VAL 21 1HG2 VAL 21 5.045 7.556 1.166 165 2HG2 VAL 21 2HG2 VAL 21 6.018 7.909 -0.282 166 3HG2 VAL 21 3HG2 VAL 21 6.563 8.473 1.316 167 H GLN 22 H GLN 22 2.005 10.821 0.680 168 HA GLN 22 HA GLN 22 2.644 13.541 0.573 169 1HB GLN 22 1HB GLN 22 1.038 12.378 -0.958 170 2HB GLN 22 2HB GLN 22 -0.083 12.186 0.376 171 1HG GLN 22 1HG GLN 22 -0.266 14.637 0.631 172 2HG GLN 22 2HG GLN 22 0.955 14.888 -0.600 173 1HE2 GLN 22 1HE2 GLN 22 0.528 14.016 -2.760 174 2HE2 GLN 22 2HE2 GLN 22 -1.088 14.037 -3.383 Start of MODEL 8 1 1HA GLY 1 1HA GLY 1 -1.852 -8.440 -1.851 2 2HA GLY 1 2HA GLY 1 -0.113 -8.576 -2.010 3 H ALA 2 H ALA 2 1.147 -6.430 -2.175 4 HA ALA 2 HA ALA 2 0.409 -4.824 0.030 5 1HB ALA 2 1HB ALA 2 2.531 -4.526 -2.133 6 2HB ALA 2 2HB ALA 2 2.429 -3.515 -0.671 7 3HB ALA 2 3HB ALA 2 2.737 -5.262 -0.525 8 H TYR 3 H TYR 3 0.422 -2.301 -0.235 9 HA TYR 3 HA TYR 3 -1.861 -1.627 -1.709 10 1HB TYR 3 1HB TYR 3 -0.440 0.731 -1.173 11 2HB TYR 3 2HB TYR 3 -1.483 -0.066 -0.011 12 HD1 TYR 3 HD1 TYR 3 -0.589 -1.143 1.931 13 HD2 TYR 3 HD2 TYR 3 2.039 0.287 -1.128 14 HE1 TYR 3 HE1 TYR 3 1.404 -1.493 3.469 15 HE2 TYR 3 HE2 TYR 3 4.023 -0.068 0.421 16 HH TYR 3 HH TYR 3 4.020 -0.154 3.360 17 H THR 4 H THR 4 1.602 -1.629 -2.494 18 HA THR 4 HA THR 4 0.946 -0.321 -5.052 19 HB THR 4 HB THR 4 3.530 -0.426 -3.411 20 HG1 THR 4 HG1 THR 4 2.893 1.728 -3.026 21 1HG2 THR 4 1HG2 THR 4 4.078 -0.369 -5.837 22 2HG2 THR 4 2HG2 THR 4 2.888 0.932 -6.082 23 3HG2 THR 4 3HG2 THR 4 4.350 1.234 -5.113 24 H GLY 5 H GLY 5 3.095 -2.832 -3.556 25 1HA GLY 5 1HA GLY 5 2.797 -5.073 -4.551 26 2HA GLY 5 2HA GLY 5 2.889 -4.297 -6.120 27 H LEU 6 H LEU 6 4.945 -2.350 -4.589 28 HA LEU 6 HA LEU 6 7.232 -3.403 -5.702 29 1HB LEU 6 1HB LEU 6 7.233 -1.138 -5.225 30 2HB LEU 6 2HB LEU 6 6.666 -1.366 -3.583 31 HG LEU 6 HG LEU 6 8.897 -2.376 -3.018 32 1HD1 LEU 6 1HD1 LEU 6 9.597 -1.428 -5.808 33 2HD1 LEU 6 2HD1 LEU 6 10.786 -1.879 -4.562 34 3HD1 LEU 6 3HD1 LEU 6 9.644 -3.095 -5.185 35 1HD2 LEU 6 1HD2 LEU 6 8.888 0.478 -4.038 36 2HD2 LEU 6 2HD2 LEU 6 8.369 -0.079 -2.429 37 3HD2 LEU 6 3HD2 LEU 6 10.077 -0.220 -2.911 38 HA PRO 7 HA PRO 7 8.234 -5.329 -1.521 39 1HB PRO 7 1HB PRO 7 6.474 -5.169 0.564 40 2HB PRO 7 2HB PRO 7 7.805 -4.049 0.345 41 1HG PRO 7 1HG PRO 7 4.921 -3.621 -0.147 42 2HG PRO 7 2HG PRO 7 6.190 -2.428 0.051 43 1HD PRO 7 1HD PRO 7 4.969 -3.242 -2.414 44 2HD PRO 7 2HD PRO 7 6.315 -2.136 -2.226 45 H ASN 8 H ASN 8 4.775 -5.486 -2.102 46 HA ASN 8 HA ASN 8 3.476 -7.165 -2.540 47 1HB ASN 8 1HB ASN 8 5.405 -7.837 -4.117 48 2HB ASN 8 2HB ASN 8 5.950 -8.938 -2.867 49 1HD2 ASN 8 1HD2 ASN 8 3.160 -8.049 -4.856 50 2HD2 ASN 8 2HD2 ASN 8 2.450 -9.625 -4.973 51 H LYS 9 H LYS 9 2.450 -7.630 -0.557 52 HA LYS 9 HA LYS 9 3.758 -9.661 1.101 53 1HB LYS 9 1HB LYS 9 2.620 -7.008 1.961 54 2HB LYS 9 2HB LYS 9 2.627 -8.371 3.061 55 1HG LYS 9 1HG LYS 9 5.058 -8.598 2.879 56 2HG LYS 9 2HG LYS 9 5.124 -7.412 1.591 57 1HD LYS 9 1HD LYS 9 4.367 -5.633 3.125 58 2HD LYS 9 2HD LYS 9 4.132 -6.797 4.414 59 1HE LYS 9 1HE LYS 9 6.564 -7.317 4.421 60 2HE LYS 9 2HE LYS 9 6.821 -6.220 3.079 61 1HZ LYS 9 1HZ LYS 9 7.269 -5.230 5.315 62 2HZ LYS 9 2HZ LYS 9 6.178 -4.376 4.460 63 H LYS 10 H LYS 10 0.660 -7.925 1.619 64 HA LYS 10 HA LYS 10 -0.994 -9.700 0.286 65 1HB LYS 10 1HB LYS 10 0.138 -10.872 2.629 66 2HB LYS 10 2HB LYS 10 -1.554 -10.561 2.960 67 1HG LYS 10 1HG LYS 10 -2.196 -11.731 0.854 68 2HG LYS 10 2HG LYS 10 -0.506 -12.011 0.481 69 1HD LYS 10 1HD LYS 10 -0.259 -13.355 2.572 70 2HD LYS 10 2HD LYS 10 -1.941 -13.060 2.967 71 1HE LYS 10 1HE LYS 10 -2.643 -14.212 0.860 72 2HE LYS 10 2HE LYS 10 -0.963 -14.498 0.452 73 1HZ LYS 10 1HZ LYS 10 -0.755 -15.817 2.501 74 2HZ LYS 10 2HZ LYS 10 -2.317 -15.551 2.879 75 HA PRO 11 HA PRO 11 -3.411 -7.042 3.308 76 1HB PRO 11 1HB PRO 11 -2.263 -6.037 5.575 77 2HB PRO 11 2HB PRO 11 -3.159 -7.542 5.541 78 1HG PRO 11 1HG PRO 11 -0.236 -7.129 5.693 79 2HG PRO 11 2HG PRO 11 -1.163 -8.565 6.080 80 1HD PRO 11 1HD PRO 11 0.396 -8.115 3.714 81 2HD PRO 11 2HD PRO 11 -0.623 -9.500 4.050 82 H ASN 12 H ASN 12 -4.019 -4.841 3.283 83 HA ASN 12 HA ASN 12 -1.989 -2.921 3.076 84 1HB ASN 12 1HB ASN 12 -2.571 -2.237 0.665 85 2HB ASN 12 2HB ASN 12 -1.624 -3.704 0.815 86 1HD2 ASN 12 1HD2 ASN 12 -4.052 -2.380 -0.821 87 2HD2 ASN 12 2HD2 ASN 12 -5.032 -3.754 -1.210 88 H VAL 13 H VAL 13 -3.361 -1.834 4.621 89 HA VAL 13 HA VAL 13 -6.131 -1.570 4.301 90 HB VAL 13 HB VAL 13 -4.003 -0.244 5.942 91 1HG1 VAL 13 1HG1 VAL 13 -5.421 1.620 5.537 92 2HG1 VAL 13 2HG1 VAL 13 -6.893 0.634 5.709 93 3HG1 VAL 13 3HG1 VAL 13 -5.884 0.983 7.133 94 1HG2 VAL 13 1HG2 VAL 13 -6.506 -1.729 6.791 95 2HG2 VAL 13 2HG2 VAL 13 -4.947 -2.528 6.475 96 3HG2 VAL 13 3HG2 VAL 13 -5.082 -1.324 7.779 97 HA PRO 14 HA PRO 14 -5.017 2.583 2.327 98 1HB PRO 14 1HB PRO 14 -2.433 3.113 1.615 99 2HB PRO 14 2HB PRO 14 -3.142 3.658 3.122 100 1HG PRO 14 1HG PRO 14 -1.224 1.455 2.666 101 2HG PRO 14 2HG PRO 14 -1.612 2.281 4.162 102 1HD PRO 14 1HD PRO 14 -2.507 -0.323 3.359 103 2HD PRO 14 2HD PRO 14 -2.986 0.552 4.800 104 H THR 15 H THR 15 -4.772 3.420 0.094 105 HA THR 15 HA THR 15 -4.884 1.091 -1.661 106 HB THR 15 HB THR 15 -6.645 3.047 -1.443 107 HG1 THR 15 HG1 THR 15 -5.317 2.070 -3.865 108 1HG2 THR 15 1HG2 THR 15 -6.242 4.922 -2.955 109 2HG2 THR 15 2HG2 THR 15 -4.887 4.880 -1.802 110 3HG2 THR 15 3HG2 THR 15 -4.672 4.247 -3.451 111 H ILE 16 H ILE 16 -2.776 3.745 -0.780 112 HA ILE 16 HA ILE 16 -0.756 2.687 -2.485 113 HB ILE 16 HB ILE 16 -2.202 4.102 -4.014 114 1HG1 ILE 16 1HG1 ILE 16 0.074 5.405 -4.726 115 2HG1 ILE 16 2HG1 ILE 16 0.742 4.181 -3.664 116 1HG2 ILE 16 1HG2 ILE 16 -2.047 6.475 -3.928 117 2HG2 ILE 16 2HG2 ILE 16 -2.554 5.922 -2.314 118 3HG2 ILE 16 3HG2 ILE 16 -0.868 6.418 -2.596 119 1HD1 ILE 16 1HD1 ILE 16 -1.037 3.709 -6.097 120 2HD1 ILE 16 2HD1 ILE 16 0.678 3.267 -5.916 121 3HD1 ILE 16 3HD1 ILE 16 -0.564 2.428 -4.955 122 H ARG 17 H ARG 17 1.270 3.168 -1.664 123 HA ARG 17 HA ARG 17 1.314 4.189 0.916 124 1HB ARG 17 1HB ARG 17 3.649 3.699 0.873 125 2HB ARG 17 2HB ARG 17 2.959 2.544 -0.250 126 1HG ARG 17 1HG ARG 17 3.486 4.177 -2.139 127 2HG ARG 17 2HG ARG 17 4.325 5.178 -0.970 128 1HD ARG 17 1HD ARG 17 5.638 2.947 -0.388 129 2HD ARG 17 2HD ARG 17 5.061 2.403 -1.951 130 HE ARG 17 HE ARG 17 7.076 4.470 -1.456 131 1HH1 ARG 17 1HH1 ARG 17 4.733 3.227 -3.805 132 2HH1 ARG 17 2HH1 ARG 17 5.541 3.926 -5.168 133 1HH2 ARG 17 1HH2 ARG 17 7.545 5.195 -4.821 134 H THR 18 H THR 18 1.386 5.701 -2.215 135 HA THR 18 HA THR 18 2.972 7.955 -1.623 136 HB THR 18 HB THR 18 0.668 7.591 -3.611 137 HG1 THR 18 HG1 THR 18 2.311 6.591 -4.832 138 1HG2 THR 18 1HG2 THR 18 1.475 9.944 -3.495 139 2HG2 THR 18 2HG2 THR 18 3.159 9.378 -3.611 140 3HG2 THR 18 3HG2 THR 18 2.053 9.171 -4.991 141 H ALA 19 H ALA 19 -0.248 7.007 -0.646 142 HA ALA 19 HA ALA 19 -1.254 9.614 -0.227 143 1HB ALA 19 1HB ALA 19 -2.645 7.571 -0.461 144 2HB ALA 19 2HB ALA 19 -1.990 6.962 1.079 145 3HB ALA 19 3HB ALA 19 -2.987 8.437 1.056 146 H LYS 20 H LYS 20 0.609 7.256 1.754 147 HA LYS 20 HA LYS 20 0.420 8.795 4.126 148 1HB LYS 20 1HB LYS 20 2.072 6.442 3.225 149 2HB LYS 20 2HB LYS 20 2.420 7.245 4.742 150 1HG LYS 20 1HG LYS 20 0.118 6.858 5.535 151 2HG LYS 20 2HG LYS 20 -0.345 6.196 3.980 152 1HD LYS 20 1HD LYS 20 1.122 4.274 4.265 153 2HD LYS 20 2HD LYS 20 1.885 4.986 5.672 154 1HE LYS 20 1HE LYS 20 -0.232 4.838 6.946 155 2HE LYS 20 2HE LYS 20 -1.077 4.244 5.529 156 1HZ LYS 20 1HZ LYS 20 0.419 2.296 5.550 157 2HZ LYS 20 2HZ LYS 20 1.159 2.841 6.895 158 H VAL 21 H VAL 21 2.639 8.669 1.328 159 HA VAL 21 HA VAL 21 4.699 10.175 2.483 160 HB VAL 21 HB VAL 21 3.798 9.630 -0.339 161 1HG1 VAL 21 1HG1 VAL 21 4.842 11.731 -0.592 162 2HG1 VAL 21 2HG1 VAL 21 6.097 11.350 0.612 163 3HG1 VAL 21 3HG1 VAL 21 6.110 10.542 -0.974 164 1HG2 VAL 21 1HG2 VAL 21 6.314 8.744 1.100 165 2HG2 VAL 21 2HG2 VAL 21 4.800 7.807 1.109 166 3HG2 VAL 21 3HG2 VAL 21 5.643 8.123 -0.427 167 H GLN 22 H GLN 22 2.078 11.191 0.169 168 HA GLN 22 HA GLN 22 2.667 13.908 0.603 169 1HB GLN 22 1HB GLN 22 0.933 14.349 -0.952 170 2HB GLN 22 2HB GLN 22 1.585 12.806 -1.466 171 1HG GLN 22 1HG GLN 22 -0.262 11.739 0.053 172 2HG GLN 22 2HG GLN 22 -0.992 13.332 0.062 173 1HE2 GLN 22 1HE2 GLN 22 -1.333 14.371 -2.067 174 2HE2 GLN 22 2HE2 GLN 22 -1.851 13.393 -3.400 Start of MODEL 9 1 1HA GLY 1 1HA GLY 1 -0.215 -8.612 -2.005 2 2HA GLY 1 2HA GLY 1 -0.853 -7.766 -3.400 3 H ALA 2 H ALA 2 1.137 -6.417 -2.302 4 HA ALA 2 HA ALA 2 0.406 -4.805 -0.086 5 1HB ALA 2 1HB ALA 2 2.607 -4.771 -2.167 6 2HB ALA 2 2HB ALA 2 2.451 -3.476 -0.956 7 3HB ALA 2 3HB ALA 2 2.718 -5.157 -0.433 8 H TYR 3 H TYR 3 0.437 -2.298 -0.330 9 HA TYR 3 HA TYR 3 -1.778 -1.589 -1.899 10 1HB TYR 3 1HB TYR 3 -0.424 0.759 -1.245 11 2HB TYR 3 2HB TYR 3 -1.465 -0.093 -0.122 12 HD1 TYR 3 HD1 TYR 3 -0.578 -1.191 1.810 13 HD2 TYR 3 HD2 TYR 3 2.066 0.373 -1.169 14 HE1 TYR 3 HE1 TYR 3 1.397 -1.529 3.374 15 HE2 TYR 3 HE2 TYR 3 4.032 0.029 0.406 16 HH TYR 3 HH TYR 3 3.981 -0.125 3.342 17 H THR 4 H THR 4 1.714 -1.619 -2.516 18 HA THR 4 HA THR 4 1.213 -0.214 -5.056 19 HB THR 4 HB THR 4 3.702 -0.474 -3.292 20 HG1 THR 4 HG1 THR 4 3.163 1.724 -2.947 21 1HG2 THR 4 1HG2 THR 4 4.420 -0.414 -5.663 22 2HG2 THR 4 2HG2 THR 4 3.283 0.916 -5.991 23 3HG2 THR 4 3HG2 THR 4 4.684 1.184 -4.925 24 H GLY 5 H GLY 5 3.054 -2.932 -3.533 25 1HA GLY 5 1HA GLY 5 2.757 -5.093 -4.630 26 2HA GLY 5 2HA GLY 5 2.935 -4.273 -6.169 27 H LEU 6 H LEU 6 5.016 -2.500 -4.409 28 HA LEU 6 HA LEU 6 7.294 -3.678 -5.500 29 1HB LEU 6 1HB LEU 6 7.377 -1.395 -5.092 30 2HB LEU 6 2HB LEU 6 6.765 -1.551 -3.457 31 HG LEU 6 HG LEU 6 8.930 -2.636 -2.805 32 1HD1 LEU 6 1HD1 LEU 6 9.721 -1.861 -5.623 33 2HD1 LEU 6 2HD1 LEU 6 10.875 -2.280 -4.334 34 3HD1 LEU 6 3HD1 LEU 6 9.700 -3.490 -4.905 35 1HD2 LEU 6 1HD2 LEU 6 8.502 -0.286 -2.334 36 2HD2 LEU 6 2HD2 LEU 6 10.214 -0.544 -2.747 37 3HD2 LEU 6 3HD2 LEU 6 9.106 0.166 -3.946 38 HA PRO 7 HA PRO 7 8.043 -5.508 -1.224 39 1HB PRO 7 1HB PRO 7 6.223 -5.184 0.789 40 2HB PRO 7 2HB PRO 7 7.618 -4.144 0.581 41 1HG PRO 7 1HG PRO 7 4.780 -3.583 -0.030 42 2HG PRO 7 2HG PRO 7 6.103 -2.452 0.175 43 1HD PRO 7 1HD PRO 7 4.927 -3.286 -2.304 44 2HD PRO 7 2HD PRO 7 6.323 -2.247 -2.104 45 H ASN 8 H ASN 8 4.901 -5.595 -2.563 46 HA ASN 8 HA ASN 8 3.393 -7.189 -2.678 47 1HB ASN 8 1HB ASN 8 4.444 -9.429 -3.538 48 2HB ASN 8 2HB ASN 8 4.729 -7.984 -4.487 49 1HD2 ASN 8 1HD2 ASN 8 6.073 -10.381 -2.386 50 2HD2 ASN 8 2HD2 ASN 8 7.747 -9.971 -2.555 51 H LYS 9 H LYS 9 2.630 -7.443 -0.476 52 HA LYS 9 HA LYS 9 3.900 -9.653 0.987 53 1HB LYS 9 1HB LYS 9 2.723 -7.049 1.942 54 2HB LYS 9 2HB LYS 9 2.779 -8.443 3.003 55 1HG LYS 9 1HG LYS 9 5.192 -8.593 2.842 56 2HG LYS 9 2HG LYS 9 5.244 -7.463 1.503 57 1HD LYS 9 1HD LYS 9 4.530 -5.615 2.945 58 2HD LYS 9 2HD LYS 9 4.224 -6.709 4.279 59 1HE LYS 9 1HE LYS 9 6.630 -7.279 4.415 60 2HE LYS 9 2HE LYS 9 6.972 -6.296 3.006 61 1HZ LYS 9 1HZ LYS 9 7.380 -5.155 5.177 62 2HZ LYS 9 2HZ LYS 9 6.349 -4.332 4.222 63 H LYS 10 H LYS 10 0.763 -7.964 1.505 64 HA LYS 10 HA LYS 10 -0.844 -9.803 0.196 65 1HB LYS 10 1HB LYS 10 0.284 -10.890 2.581 66 2HB LYS 10 2HB LYS 10 -1.415 -10.598 2.890 67 1HG LYS 10 1HG LYS 10 -2.021 -11.834 0.810 68 2HG LYS 10 2HG LYS 10 -0.324 -12.101 0.464 69 1HD LYS 10 1HD LYS 10 -0.081 -13.379 2.597 70 2HD LYS 10 2HD LYS 10 -1.772 -13.099 2.963 71 1HE LYS 10 1HE LYS 10 -2.430 -14.321 0.881 72 2HE LYS 10 2HE LYS 10 -0.740 -14.594 0.504 73 1HZ LYS 10 1HZ LYS 10 -2.210 -15.662 2.850 74 2HZ LYS 10 2HZ LYS 10 -1.552 -16.522 1.633 75 HA PRO 11 HA PRO 11 -3.329 -7.095 3.123 76 1HB PRO 11 1HB PRO 11 -2.198 -5.969 5.341 77 2HB PRO 11 2HB PRO 11 -3.057 -7.495 5.374 78 1HG PRO 11 1HG PRO 11 -0.144 -7.005 5.495 79 2HG PRO 11 2HG PRO 11 -1.035 -8.445 5.946 80 1HD PRO 11 1HD PRO 11 0.505 -8.057 3.557 81 2HD PRO 11 2HD PRO 11 -0.479 -9.452 3.955 82 H ASN 12 H ASN 12 -3.954 -4.862 3.151 83 HA ASN 12 HA ASN 12 -1.931 -2.961 2.740 84 1HB ASN 12 1HB ASN 12 -2.748 -2.325 0.371 85 2HB ASN 12 2HB ASN 12 -1.756 -3.766 0.474 86 1HD2 ASN 12 1HD2 ASN 12 -3.150 -3.623 -1.701 87 2HD2 ASN 12 2HD2 ASN 12 -4.544 -4.650 -1.717 88 H VAL 13 H VAL 13 -3.274 -2.048 4.494 89 HA VAL 13 HA VAL 13 -6.029 -1.674 4.280 90 HB VAL 13 HB VAL 13 -3.809 -0.481 5.903 91 1HG1 VAL 13 1HG1 VAL 13 -6.684 0.469 5.825 92 2HG1 VAL 13 2HG1 VAL 13 -5.620 0.717 7.230 93 3HG1 VAL 13 3HG1 VAL 13 -5.197 1.431 5.656 94 1HG2 VAL 13 1HG2 VAL 13 -6.311 -1.958 6.771 95 2HG2 VAL 13 2HG2 VAL 13 -4.784 -2.771 6.353 96 3HG2 VAL 13 3HG2 VAL 13 -4.841 -1.635 7.722 97 HA PRO 14 HA PRO 14 -4.901 2.557 2.490 98 1HB PRO 14 1HB PRO 14 -2.329 3.088 1.733 99 2HB PRO 14 2HB PRO 14 -2.988 3.561 3.287 100 1HG PRO 14 1HG PRO 14 -1.118 1.359 2.660 101 2HG PRO 14 2HG PRO 14 -1.451 2.109 4.208 102 1HD PRO 14 1HD PRO 14 -2.408 -0.435 3.292 103 2HD PRO 14 2HD PRO 14 -2.833 0.367 4.791 104 H THR 15 H THR 15 -4.726 3.504 0.301 105 HA THR 15 HA THR 15 -4.973 1.291 -1.570 106 HB THR 15 HB THR 15 -5.515 4.299 -1.798 107 HG1 THR 15 HG1 THR 15 -7.264 1.960 -1.589 108 1HG2 THR 15 1HG2 THR 15 -7.079 3.432 -3.657 109 2HG2 THR 15 2HG2 THR 15 -5.343 3.409 -4.052 110 3HG2 THR 15 3HG2 THR 15 -6.168 1.904 -3.583 111 H ILE 16 H ILE 16 -2.795 3.991 -0.783 112 HA ILE 16 HA ILE 16 -0.792 2.787 -2.435 113 HB ILE 16 HB ILE 16 -2.200 4.165 -4.011 114 1HG1 ILE 16 1HG1 ILE 16 0.103 5.457 -4.714 115 2HG1 ILE 16 2HG1 ILE 16 0.734 4.215 -3.651 116 1HG2 ILE 16 1HG2 ILE 16 -2.564 6.036 -2.370 117 2HG2 ILE 16 2HG2 ILE 16 -0.876 6.525 -2.658 118 3HG2 ILE 16 3HG2 ILE 16 -2.048 6.540 -3.998 119 1HD1 ILE 16 1HD1 ILE 16 -1.043 3.785 -6.093 120 2HD1 ILE 16 2HD1 ILE 16 0.665 3.319 -5.914 121 3HD1 ILE 16 3HD1 ILE 16 -0.588 2.493 -4.957 122 H ARG 17 H ARG 17 1.248 3.236 -1.636 123 HA ARG 17 HA ARG 17 1.351 4.322 0.906 124 1HB ARG 17 1HB ARG 17 3.688 3.827 0.826 125 2HB ARG 17 2HB ARG 17 2.964 2.644 -0.245 126 1HG ARG 17 1HG ARG 17 3.488 4.125 -2.209 127 2HG ARG 17 2HG ARG 17 4.247 5.275 -1.126 128 1HD ARG 17 1HD ARG 17 5.883 3.511 -0.408 129 2HD ARG 17 2HD ARG 17 5.128 2.370 -1.503 130 HE ARG 17 HE ARG 17 5.787 4.662 -3.039 131 1HH1 ARG 17 1HH1 ARG 17 7.485 2.140 -1.220 132 2HH1 ARG 17 2HH1 ARG 17 8.910 2.218 -2.201 133 1HH2 ARG 17 1HH2 ARG 17 8.995 3.769 -4.027 134 H THR 18 H THR 18 1.339 5.789 -2.237 135 HA THR 18 HA THR 18 2.966 8.037 -1.727 136 HB THR 18 HB THR 18 0.579 7.867 -3.623 137 HG1 THR 18 HG1 THR 18 3.231 6.649 -3.535 138 1HG2 THR 18 1HG2 THR 18 2.124 9.103 -5.130 139 2HG2 THR 18 2HG2 THR 18 1.911 10.003 -3.609 140 3HG2 THR 18 3HG2 THR 18 3.393 9.056 -3.882 141 H ALA 19 H ALA 19 -0.272 7.148 -0.707 142 HA ALA 19 HA ALA 19 -1.204 9.777 -0.265 143 1HB ALA 19 1HB ALA 19 -2.003 7.144 1.040 144 2HB ALA 19 2HB ALA 19 -2.961 8.644 1.018 145 3HB ALA 19 3HB ALA 19 -2.646 7.767 -0.498 146 H LYS 20 H LYS 20 0.539 7.332 1.733 147 HA LYS 20 HA LYS 20 0.416 8.817 4.114 148 1HB LYS 20 1HB LYS 20 2.123 6.540 3.117 149 2HB LYS 20 2HB LYS 20 2.446 7.292 4.666 150 1HG LYS 20 1HG LYS 20 0.161 6.805 5.442 151 2HG LYS 20 2HG LYS 20 -0.291 6.205 3.859 152 1HD LYS 20 1HD LYS 20 1.202 4.300 4.051 153 2HD LYS 20 2HD LYS 20 1.984 4.970 5.469 154 1HE LYS 20 1HE LYS 20 -0.992 4.313 5.438 155 2HE LYS 20 2HE LYS 20 0.214 3.114 5.861 156 1HZ LYS 20 1HZ LYS 20 -0.561 5.513 7.346 157 2HZ LYS 20 2HZ LYS 20 -0.192 4.032 7.914 158 H VAL 21 H VAL 21 2.652 8.790 1.315 159 HA VAL 21 HA VAL 21 4.612 10.405 2.550 160 HB VAL 21 HB VAL 21 3.931 9.696 -0.300 161 1HG1 VAL 21 1HG1 VAL 21 4.942 11.824 -0.539 162 2HG1 VAL 21 2HG1 VAL 21 6.134 11.492 0.741 163 3HG1 VAL 21 3HG1 VAL 21 6.244 10.645 -0.821 164 1HG2 VAL 21 1HG2 VAL 21 5.849 8.260 -0.184 165 2HG2 VAL 21 2HG2 VAL 21 6.325 8.925 1.396 166 3HG2 VAL 21 3HG2 VAL 21 4.849 7.941 1.253 167 H GLN 22 H GLN 22 1.693 11.046 0.541 168 HA GLN 22 HA GLN 22 2.222 13.779 0.279 169 1HB GLN 22 1HB GLN 22 0.690 12.459 -1.200 170 2HB GLN 22 2HB GLN 22 -0.444 12.302 0.128 171 1HG GLN 22 1HG GLN 22 -0.730 14.755 0.231 172 2HG GLN 22 2HG GLN 22 0.500 14.981 -0.997 173 1HE2 GLN 22 1HE2 GLN 22 0.142 13.963 -3.106 174 2HE2 GLN 22 2HE2 GLN 22 -1.464 13.879 -3.749 Start of MODEL 10 1 1HA GLY 1 1HA GLY 1 -1.397 -8.373 -2.127 2 2HA GLY 1 2HA GLY 1 0.348 -8.391 -2.280 3 H ALA 2 H ALA 2 1.454 -6.134 -2.286 4 HA ALA 2 HA ALA 2 0.551 -4.768 0.047 5 1HB ALA 2 1HB ALA 2 2.940 -5.165 -0.493 6 2HB ALA 2 2HB ALA 2 2.779 -4.124 -1.927 7 3HB ALA 2 3HB ALA 2 2.584 -3.432 -0.299 8 H TYR 3 H TYR 3 0.752 -2.149 -0.184 9 HA TYR 3 HA TYR 3 -1.569 -1.315 -1.377 10 1HB TYR 3 1HB TYR 3 0.619 0.683 -1.387 11 2HB TYR 3 2HB TYR 3 -0.805 0.648 -0.367 12 HD1 TYR 3 HD1 TYR 3 -0.772 -0.634 1.784 13 HD2 TYR 3 HD2 TYR 3 2.745 -0.115 -0.596 14 HE1 TYR 3 HE1 TYR 3 0.677 -1.277 3.771 15 HE2 TYR 3 HE2 TYR 3 4.182 -0.760 1.399 16 HH TYR 3 HH TYR 3 3.491 -0.571 4.251 17 H THR 4 H THR 4 1.816 -0.887 -2.642 18 HA THR 4 HA THR 4 0.642 -0.257 -5.254 19 HB THR 4 HB THR 4 2.352 1.259 -4.010 20 HG1 THR 4 HG1 THR 4 2.720 0.013 -6.635 21 1HG2 THR 4 1HG2 THR 4 3.949 -0.585 -3.352 22 2HG2 THR 4 2HG2 THR 4 4.227 -0.916 -5.078 23 3HG2 THR 4 3HG2 THR 4 4.722 0.645 -4.380 24 H GLY 5 H GLY 5 2.328 -2.750 -3.462 25 1HA GLY 5 1HA GLY 5 2.480 -4.941 -4.172 26 2HA GLY 5 2HA GLY 5 2.224 -4.445 -5.833 27 H LEU 6 H LEU 6 4.567 -2.883 -3.608 28 HA LEU 6 HA LEU 6 6.662 -3.441 -5.505 29 1HB LEU 6 1HB LEU 6 6.662 -1.257 -4.706 30 2HB LEU 6 2HB LEU 6 6.373 -1.747 -3.048 31 HG LEU 6 HG LEU 6 8.686 -2.728 -2.997 32 1HD1 LEU 6 1HD1 LEU 6 8.892 -1.377 -5.699 33 2HD1 LEU 6 2HD1 LEU 6 10.287 -1.917 -4.734 34 3HD1 LEU 6 3HD1 LEU 6 9.101 -3.105 -5.326 35 1HD2 LEU 6 1HD2 LEU 6 8.219 -0.564 -2.000 36 2HD2 LEU 6 2HD2 LEU 6 9.827 -0.560 -2.763 37 3HD2 LEU 6 3HD2 LEU 6 8.456 0.239 -3.571 38 HA PRO 7 HA PRO 7 8.303 -5.867 -1.832 39 1HB PRO 7 1HB PRO 7 7.000 -5.888 0.570 40 2HB PRO 7 2HB PRO 7 8.307 -4.781 0.198 41 1HG PRO 7 1HG PRO 7 5.404 -4.240 0.341 42 2HG PRO 7 2HG PRO 7 6.737 -3.103 0.396 43 1HD PRO 7 1HD PRO 7 5.017 -3.627 -1.840 44 2HD PRO 7 2HD PRO 7 6.421 -2.577 -1.820 45 H ASN 8 H ASN 8 4.906 -5.871 -2.323 46 HA ASN 8 HA ASN 8 3.497 -7.472 -2.708 47 1HB ASN 8 1HB ASN 8 5.319 -8.301 -4.281 48 2HB ASN 8 2HB ASN 8 5.913 -9.334 -2.996 49 1HD2 ASN 8 1HD2 ASN 8 3.041 -8.545 -4.909 50 2HD2 ASN 8 2HD2 ASN 8 2.329 -10.124 -4.916 51 H LYS 9 H LYS 9 2.612 -7.555 -0.545 52 HA LYS 9 HA LYS 9 3.725 -9.701 1.127 53 1HB LYS 9 1HB LYS 9 2.627 -6.990 1.862 54 2HB LYS 9 2HB LYS 9 2.610 -8.310 3.014 55 1HG LYS 9 1HG LYS 9 5.031 -8.562 2.888 56 2HG LYS 9 2HG LYS 9 5.135 -7.469 1.523 57 1HD LYS 9 1HD LYS 9 4.471 -5.563 2.895 58 2HD LYS 9 2HD LYS 9 4.060 -6.603 4.244 59 1HE LYS 9 1HE LYS 9 6.425 -7.269 4.511 60 2HE LYS 9 2HE LYS 9 6.875 -6.362 3.081 61 1HZ LYS 9 1HZ LYS 9 6.172 -4.323 4.215 62 2HZ LYS 9 2HZ LYS 9 5.718 -5.156 5.538 63 H LYS 10 H LYS 10 0.677 -7.882 1.584 64 HA LYS 10 HA LYS 10 -1.035 -9.579 0.247 65 1HB LYS 10 1HB LYS 10 0.087 -10.852 2.544 66 2HB LYS 10 2HB LYS 10 -1.595 -10.512 2.894 67 1HG LYS 10 1HG LYS 10 -2.280 -11.603 0.764 68 2HG LYS 10 2HG LYS 10 -0.601 -11.900 0.360 69 1HD LYS 10 1HD LYS 10 -0.352 -13.323 2.395 70 2HD LYS 10 2HD LYS 10 -2.019 -13.007 2.831 71 1HE LYS 10 1HE LYS 10 -2.784 -14.071 0.700 72 2HE LYS 10 2HE LYS 10 -1.118 -14.375 0.249 73 1HZ LYS 10 1HZ LYS 10 -2.549 -15.543 2.570 74 2HZ LYS 10 2HZ LYS 10 -1.961 -16.344 1.280 75 HA PRO 11 HA PRO 11 -3.339 -6.950 3.383 76 1HB PRO 11 1HB PRO 11 -2.127 -6.033 5.655 77 2HB PRO 11 2HB PRO 11 -3.061 -7.515 5.598 78 1HG PRO 11 1HG PRO 11 -0.126 -7.177 5.707 79 2HG PRO 11 2HG PRO 11 -1.082 -8.599 6.074 80 1HD PRO 11 1HD PRO 11 0.447 -8.125 3.693 81 2HD PRO 11 2HD PRO 11 -0.600 -9.493 4.011 82 H ASN 12 H ASN 12 -3.923 -4.779 3.278 83 HA ASN 12 HA ASN 12 -1.902 -2.848 3.204 84 1HB ASN 12 1HB ASN 12 -2.362 -2.164 0.748 85 2HB ASN 12 2HB ASN 12 -1.351 -3.577 0.978 86 1HD2 ASN 12 1HD2 ASN 12 -3.739 -2.386 -0.825 87 2HD2 ASN 12 2HD2 ASN 12 -4.608 -3.815 -1.276 88 H VAL 13 H VAL 13 -3.405 -1.803 4.663 89 HA VAL 13 HA VAL 13 -6.139 -1.560 4.170 90 HB VAL 13 HB VAL 13 -4.126 -0.168 5.899 91 1HG1 VAL 13 1HG1 VAL 13 -7.010 0.658 5.482 92 2HG1 VAL 13 2HG1 VAL 13 -6.100 1.040 6.963 93 3HG1 VAL 13 3HG1 VAL 13 -5.545 1.666 5.392 94 1HG2 VAL 13 1HG2 VAL 13 -6.647 -1.681 6.639 95 2HG2 VAL 13 2HG2 VAL 13 -5.061 -2.459 6.422 96 3HG2 VAL 13 3HG2 VAL 13 -5.285 -1.235 7.695 97 HA PRO 14 HA PRO 14 -5.008 2.584 2.194 98 1HB PRO 14 1HB PRO 14 -2.396 3.197 1.674 99 2HB PRO 14 2HB PRO 14 -3.239 3.738 3.112 100 1HG PRO 14 1HG PRO 14 -1.215 1.600 2.844 101 2HG PRO 14 2HG PRO 14 -1.746 2.434 4.291 102 1HD PRO 14 1HD PRO 14 -2.484 -0.213 3.467 103 2HD PRO 14 2HD PRO 14 -3.104 0.665 4.851 104 H THR 15 H THR 15 -4.952 3.277 -0.004 105 HA THR 15 HA THR 15 -4.767 0.967 -1.722 106 HB THR 15 HB THR 15 -6.560 2.884 -1.684 107 HG1 THR 15 HG1 THR 15 -5.000 1.927 -3.970 108 1HG2 THR 15 1HG2 THR 15 -6.067 4.786 -3.126 109 2HG2 THR 15 2HG2 THR 15 -4.800 4.750 -1.877 110 3HG2 THR 15 3HG2 THR 15 -4.453 4.141 -3.513 111 H ILE 16 H ILE 16 -2.749 3.684 -0.789 112 HA ILE 16 HA ILE 16 -0.601 2.584 -2.302 113 HB ILE 16 HB ILE 16 -1.965 3.929 -3.976 114 1HG1 ILE 16 1HG1 ILE 16 0.352 5.190 -4.614 115 2HG1 ILE 16 2HG1 ILE 16 0.955 4.022 -3.455 116 1HG2 ILE 16 1HG2 ILE 16 -0.694 6.305 -2.605 117 2HG2 ILE 16 2HG2 ILE 16 -1.826 6.296 -3.979 118 3HG2 ILE 16 3HG2 ILE 16 -2.389 5.820 -2.358 119 1HD1 ILE 16 1HD1 ILE 16 -0.677 3.427 -5.963 120 2HD1 ILE 16 2HD1 ILE 16 1.022 2.994 -5.657 121 3HD1 ILE 16 3HD1 ILE 16 -0.278 2.205 -4.731 122 H ARG 17 H ARG 17 1.325 3.055 -1.296 123 HA ARG 17 HA ARG 17 1.156 4.258 1.203 124 1HB ARG 17 1HB ARG 17 3.488 3.735 1.406 125 2HB ARG 17 2HB ARG 17 2.841 2.483 0.364 126 1HG ARG 17 1HG ARG 17 3.577 3.841 -1.646 127 2HG ARG 17 2HG ARG 17 4.317 4.996 -0.555 128 1HD ARG 17 1HD ARG 17 5.736 3.126 0.398 129 2HD ARG 17 2HD ARG 17 5.046 2.035 -0.788 130 HE ARG 17 HE ARG 17 6.021 4.280 -2.219 131 1HH1 ARG 17 1HH1 ARG 17 7.338 1.664 -0.225 132 2HH1 ARG 17 2HH1 ARG 17 8.872 1.656 -1.030 133 1HH2 ARG 17 1HH2 ARG 17 9.265 3.196 -2.824 134 H THR 18 H THR 18 1.511 5.547 -1.992 135 HA THR 18 HA THR 18 3.140 7.784 -1.437 136 HB THR 18 HB THR 18 0.977 7.363 -3.566 137 HG1 THR 18 HG1 THR 18 2.663 6.218 -4.591 138 1HG2 THR 18 1HG2 THR 18 3.546 9.033 -3.509 139 2HG2 THR 18 2HG2 THR 18 2.520 8.785 -4.942 140 3HG2 THR 18 3HG2 THR 18 1.890 9.684 -3.540 141 H ALA 19 H ALA 19 -0.187 7.012 -0.669 142 HA ALA 19 HA ALA 19 -1.122 9.669 -0.500 143 1HB ALA 19 1HB ALA 19 -2.983 8.635 0.737 144 2HB ALA 19 2HB ALA 19 -2.574 7.674 -0.704 145 3HB ALA 19 3HB ALA 19 -2.047 7.131 0.907 146 H LYS 20 H LYS 20 0.416 7.373 1.820 147 HA LYS 20 HA LYS 20 0.116 9.048 4.057 148 1HB LYS 20 1HB LYS 20 1.842 6.668 3.397 149 2HB LYS 20 2HB LYS 20 2.066 7.543 4.898 150 1HG LYS 20 1HG LYS 20 -0.306 7.185 5.507 151 2HG LYS 20 2HG LYS 20 -0.614 6.412 3.965 152 1HD LYS 20 1HD LYS 20 0.860 4.548 4.511 153 2HD LYS 20 2HD LYS 20 1.463 5.365 5.939 154 1HE LYS 20 1HE LYS 20 -0.784 5.254 6.990 155 2HE LYS 20 2HE LYS 20 -1.449 4.524 5.542 156 1HZ LYS 20 1HZ LYS 20 0.109 2.645 5.881 157 2HZ LYS 20 2HZ LYS 20 0.650 3.315 7.263 158 H VAL 21 H VAL 21 2.578 8.762 1.471 159 HA VAL 21 HA VAL 21 4.466 10.437 2.737 160 HB VAL 21 HB VAL 21 4.002 9.527 -0.100 161 1HG1 VAL 21 1HG1 VAL 21 6.375 10.386 -0.490 162 2HG1 VAL 21 2HG1 VAL 21 5.086 11.610 -0.407 163 3HG1 VAL 21 3HG1 VAL 21 6.159 11.350 0.990 164 1HG2 VAL 21 1HG2 VAL 21 6.222 8.835 1.848 165 2HG2 VAL 21 2HG2 VAL 21 4.739 7.872 1.642 166 3HG2 VAL 21 3HG2 VAL 21 5.870 8.067 0.282 167 H GLN 22 H GLN 22 1.727 10.969 0.462 168 HA GLN 22 HA GLN 22 2.338 13.662 0.028 169 1HB GLN 22 1HB GLN 22 0.894 12.273 -1.462 170 2HB GLN 22 2HB GLN 22 -0.334 12.210 -0.213 171 1HG GLN 22 1HG GLN 22 -0.641 14.645 -0.304 172 2HG GLN 22 2HG GLN 22 0.718 14.821 -1.396 173 1HE2 GLN 22 1HE2 GLN 22 -2.438 13.253 -1.029 174 2HE2 GLN 22 2HE2 GLN 22 -2.903 13.282 -2.697
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