NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3577 | 1dvw | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 HT1 THR 1 8.433 1.647 7.692 2 2H THR 1 HT2 THR 1 10.088 1.465 7.355 3 3H THR 1 HT3 THR 1 8.948 1.387 6.098 4 HA THR 1 HA THR 1 9.167 3.836 7.735 5 HB THR 1 HB THR 1 11.436 3.124 7.000 6 HG1 THR 1 HG1 THR 1 11.758 5.149 6.630 7 1HG2 THR 1 HG21 THR 1 10.599 3.489 4.150 8 2HG2 THR 1 HG22 THR 1 10.299 1.933 4.925 9 3HG2 THR 1 HG23 THR 1 11.944 2.559 4.811 10 H LEU 2 HN LEU 2 7.025 4.402 7.167 11 HA LEU 2 HA LEU 2 5.259 5.104 5.756 12 1HB LEU 2 HB2 LEU 2 7.658 5.708 3.994 13 2HB LEU 2 HB1 LEU 2 6.077 6.486 3.900 14 HG LEU 2 HG LEU 2 7.997 6.597 6.244 15 1HD1 LEU 2 HD11 LEU 2 8.753 8.511 5.329 16 2HD1 LEU 2 HD12 LEU 2 7.108 9.124 5.158 17 3HD1 LEU 2 HD13 LEU 2 7.817 8.134 3.882 18 1HD2 LEU 2 HD21 LEU 2 5.663 6.517 7.008 19 2HD2 LEU 2 HD22 LEU 2 5.232 7.794 5.871 20 3HD2 LEU 2 HD23 LEU 2 6.310 8.143 7.222 21 H ALA 3 HN ALA 3 5.692 5.048 2.737 22 HA ALA 3 HA ALA 3 4.390 2.612 2.121 23 1HB ALA 3 HB1 ALA 3 5.065 4.908 0.830 24 2HB ALA 3 HB2 ALA 3 4.488 3.467 -0.006 25 3HB ALA 3 HB3 ALA 3 6.218 3.792 0.100 26 H VAL 4 HN VAL 4 5.210 0.652 1.173 27 HA VAL 4 HA VAL 4 8.160 0.207 1.355 28 HB VAL 4 HB VAL 4 7.604 -1.943 2.560 29 1HG1 VAL 4 HG11 VAL 4 7.909 -0.839 4.514 30 2HG1 VAL 4 HG12 VAL 4 6.390 0.041 4.344 31 3HG1 VAL 4 HG13 VAL 4 7.847 0.635 3.548 32 1HG2 VAL 4 HG21 VAL 4 5.265 -2.127 1.808 33 2HG2 VAL 4 HG22 VAL 4 4.858 -0.657 2.694 34 3HG2 VAL 4 HG23 VAL 4 5.346 -2.108 3.570 35 HA PRO 5 HA PRO 5 7.581 -2.105 -2.331 36 1HB PRO 5 HB2 PRO 5 9.240 -4.258 -1.985 37 2HB PRO 5 HB1 PRO 5 9.835 -2.617 -2.309 38 1HG PRO 5 HG2 PRO 5 9.653 -4.087 0.275 39 2HG PRO 5 HG1 PRO 5 10.930 -3.019 -0.328 40 1HD PRO 5 HD2 PRO 5 9.071 -2.225 1.482 41 2HD PRO 5 HD1 PRO 5 9.828 -1.114 0.320 42 H GLY 6 HN GLY 6 5.325 -2.671 -1.790 43 1HA GLY 6 HA2 GLY 6 4.485 -5.227 -2.177 44 2HA GLY 6 HA1 GLY 6 4.823 -5.236 -0.444 45 H MET 7 HN MET 7 3.892 -3.052 0.611 46 HA MET 7 HA MET 7 1.924 -1.922 1.265 47 1HB MET 7 HB2 MET 7 1.822 -2.081 -1.746 48 2HB MET 7 HB1 MET 7 0.513 -1.310 -0.850 49 1HG MET 7 HG2 MET 7 1.777 0.505 -0.339 50 2HG MET 7 HG1 MET 7 3.198 -0.477 0.021 51 1HE MET 7 HE1 MET 7 3.932 2.033 -1.095 52 2HE MET 7 HE2 MET 7 2.363 2.359 -1.828 53 3HE MET 7 HE3 MET 7 3.812 2.358 -2.830 54 H THR 8 HN THR 8 -0.706 -2.166 0.279 55 HA THR 8 HA THR 8 -2.586 -3.583 0.510 56 HB THR 8 HB THR 8 -0.450 -5.321 -0.748 57 HG1 THR 8 HG1 THR 8 -2.404 -3.551 -1.594 58 1HG2 THR 8 HG21 THR 8 -1.816 -7.046 -0.136 59 2HG2 THR 8 HG22 THR 8 -2.788 -6.485 -1.497 60 3HG2 THR 8 HG23 THR 8 -3.198 -5.985 0.144 61 H CYS 9 HN CYS 9 -1.923 -3.326 2.975 62 HA CYS 9 HA CYS 9 -1.736 -6.063 4.089 63 1HB CYS 9 HB2 CYS 9 0.017 -5.263 5.663 64 2HB CYS 9 HB1 CYS 9 0.552 -5.273 3.988 65 H ALA 10 HN ALA 10 -4.139 -4.951 4.176 66 HA ALA 10 HA ALA 10 -5.791 -3.959 5.586 67 1HB ALA 10 HB1 ALA 10 -5.502 -4.710 7.930 68 2HB ALA 10 HB2 ALA 10 -3.802 -5.059 7.615 69 3HB ALA 10 HB3 ALA 10 -5.060 -6.009 6.823 70 H ALA 11 HN ALA 11 -3.421 -2.453 4.693 71 HA ALA 11 HA ALA 11 -3.431 -0.260 6.705 72 1HB ALA 11 HB1 ALA 11 -0.908 -0.892 5.285 73 2HB ALA 11 HB2 ALA 11 -1.444 -2.124 6.422 74 3HB ALA 11 HB3 ALA 11 -1.159 -0.480 6.979 75 H CYS 12 HN CYS 12 -2.102 -1.188 3.481 76 HA CYS 12 HA CYS 12 -3.325 1.333 2.392 77 1HB CYS 12 HB2 CYS 12 -1.255 2.047 1.506 78 2HB CYS 12 HB1 CYS 12 -0.836 1.452 3.110 79 HA PRO 13 HA PRO 13 -3.413 -2.327 -0.627 80 1HB PRO 13 HB2 PRO 13 -5.890 -3.379 -0.056 81 2HB PRO 13 HB1 PRO 13 -4.393 -4.042 0.634 82 1HG PRO 13 HG2 PRO 13 -6.362 -2.157 1.855 83 2HG PRO 13 HG1 PRO 13 -5.544 -3.554 2.578 84 1HD PRO 13 HD2 PRO 13 -4.714 -1.036 3.042 85 2HD PRO 13 HD1 PRO 13 -3.574 -2.395 2.917 86 H ILE 14 HN ILE 14 -5.216 0.173 0.803 87 HA ILE 14 HA ILE 14 -7.015 0.632 -1.428 88 HB ILE 14 HB ILE 14 -7.867 0.971 0.797 89 1HG1 ILE 14 HG12 ILE 14 -7.703 3.775 0.536 90 2HG1 ILE 14 HG11 ILE 14 -7.629 3.138 -1.108 91 1HG2 ILE 14 HG21 ILE 14 -6.677 2.887 2.140 92 2HG2 ILE 14 HG22 ILE 14 -5.297 2.500 1.112 93 3HG2 ILE 14 HG23 ILE 14 -5.989 1.263 2.161 94 1HD1 ILE 14 HD11 ILE 14 -9.917 3.169 -0.860 95 2HD1 ILE 14 HD12 ILE 14 -9.834 2.971 0.891 96 3HD1 ILE 14 HD13 ILE 14 -9.598 1.579 -0.166 97 H THR 15 HN THR 15 -3.954 1.598 -0.322 98 HA THR 15 HA THR 15 -3.780 4.126 -1.779 99 HB THR 15 HB THR 15 -2.179 2.273 -0.107 100 HG1 THR 15 HG1 THR 15 -2.652 3.936 1.069 101 1HG2 THR 15 HG21 THR 15 -0.110 3.792 -0.720 102 2HG2 THR 15 HG22 THR 15 -0.963 3.997 -2.250 103 3HG2 THR 15 HG23 THR 15 -0.485 2.386 -1.716 104 H VAL 16 HN VAL 16 -1.949 1.088 -2.097 105 HA VAL 16 HA VAL 16 -1.677 1.515 -5.020 106 HB VAL 16 HB VAL 16 0.209 0.844 -3.450 107 1HG1 VAL 16 HG11 VAL 16 -0.998 -0.647 -1.974 108 2HG1 VAL 16 HG12 VAL 16 0.224 -1.597 -2.820 109 3HG1 VAL 16 HG13 VAL 16 -1.464 -1.682 -3.325 110 1HG2 VAL 16 HG21 VAL 16 -0.623 -0.658 -5.895 111 2HG2 VAL 16 HG22 VAL 16 0.745 -1.289 -4.979 112 3HG2 VAL 16 HG23 VAL 16 0.799 0.350 -5.628 113 H LYS 17 HN LYS 17 -4.298 0.907 -3.785 114 HA LYS 17 HA LYS 17 -5.064 -1.780 -3.916 115 1HB LYS 17 HB2 LYS 17 -7.283 -0.899 -3.963 116 2HB LYS 17 HB1 LYS 17 -6.313 0.308 -3.120 117 1HG LYS 17 HG2 LYS 17 -7.114 1.794 -4.624 118 2HG LYS 17 HG1 LYS 17 -6.035 1.024 -5.788 119 1HD LYS 17 HD2 LYS 17 -8.197 0.980 -6.797 120 2HD LYS 17 HD1 LYS 17 -7.919 -0.658 -6.203 121 1HE LYS 17 HE2 LYS 17 -9.624 -0.513 -4.697 122 2HE LYS 17 HE1 LYS 17 -9.167 1.133 -4.214 123 1HZ LYS 17 HZ1 LYS 17 -9.998 1.861 -6.445 124 2HZ LYS 17 HZ2 LYS 17 -11.207 1.312 -5.385 125 3HZ LYS 17 HZ3 LYS 17 -10.659 0.313 -6.645 126 H LYS 18 HN LYS 18 -4.103 0.267 -6.405 127 HA LYS 18 HA LYS 18 -5.476 -0.362 -8.705 128 1HB LYS 18 HB2 LYS 18 -3.355 1.018 -8.353 129 2HB LYS 18 HB1 LYS 18 -2.458 -0.496 -8.474 130 1HG LYS 18 HG2 LYS 18 -2.423 0.250 -10.687 131 2HG LYS 18 HG1 LYS 18 -3.831 -0.812 -10.691 132 1HD LYS 18 HD2 LYS 18 -5.292 1.155 -10.285 133 2HD LYS 18 HD1 LYS 18 -3.873 2.202 -10.354 134 1HE LYS 18 HE2 LYS 18 -4.387 2.350 -12.583 135 2HE LYS 18 HE1 LYS 18 -3.613 0.756 -12.686 136 1HZ LYS 18 HZ1 LYS 18 -5.976 0.894 -13.540 137 2HZ LYS 18 HZ2 LYS 18 -6.455 1.092 -11.922 138 3HZ LYS 18 HZ3 LYS 18 -5.662 -0.329 -12.408 Start of MODEL 2 1 1H THR 1 HT1 THR 1 11.829 8.101 7.954 2 2H THR 1 HT2 THR 1 11.548 6.496 8.435 3 3H THR 1 HT3 THR 1 10.643 7.761 9.118 4 HA THR 1 HA THR 1 9.493 8.170 7.088 5 HB THR 1 HB THR 1 10.358 6.371 5.244 6 HG1 THR 1 HG1 THR 1 12.807 6.876 5.615 7 1HG2 THR 1 HG21 THR 1 11.508 9.108 5.848 8 2HG2 THR 1 HG22 THR 1 10.119 8.748 4.822 9 3HG2 THR 1 HG23 THR 1 11.735 8.251 4.323 10 H LEU 2 HN LEU 2 7.578 7.003 6.766 11 HA LEU 2 HA LEU 2 7.522 4.218 7.886 12 1HB LEU 2 HB2 LEU 2 6.003 6.665 8.388 13 2HB LEU 2 HB1 LEU 2 4.951 5.301 8.010 14 HG LEU 2 HG LEU 2 6.260 3.951 9.709 15 1HD1 LEU 2 HD11 LEU 2 8.054 6.001 9.570 16 2HD1 LEU 2 HD12 LEU 2 7.953 4.876 10.925 17 3HD1 LEU 2 HD13 LEU 2 7.156 6.447 11.021 18 1HD2 LEU 2 HD21 LEU 2 4.834 4.619 11.409 19 2HD2 LEU 2 HD22 LEU 2 4.061 5.420 10.042 20 3HD2 LEU 2 HD23 LEU 2 5.120 6.334 11.116 21 H ALA 3 HN ALA 3 8.039 4.856 5.090 22 HA ALA 3 HA ALA 3 5.471 4.010 3.792 23 1HB ALA 3 HB1 ALA 3 6.267 5.167 1.870 24 2HB ALA 3 HB2 ALA 3 7.929 5.165 2.463 25 3HB ALA 3 HB3 ALA 3 6.721 6.201 3.224 26 H VAL 4 HN VAL 4 5.466 1.831 3.359 27 HA VAL 4 HA VAL 4 8.049 0.399 3.039 28 HB VAL 4 HB VAL 4 5.155 -0.493 3.262 29 1HG1 VAL 4 HG11 VAL 4 6.460 -2.697 3.892 30 2HG1 VAL 4 HG12 VAL 4 7.744 -1.975 2.922 31 3HG1 VAL 4 HG13 VAL 4 6.171 -2.303 2.197 32 1HG2 VAL 4 HG21 VAL 4 5.499 -0.010 5.447 33 2HG2 VAL 4 HG22 VAL 4 7.221 0.266 5.185 34 3HG2 VAL 4 HG23 VAL 4 6.623 -1.369 5.467 35 HA PRO 5 HA PRO 5 7.556 0.551 -1.364 36 1HB PRO 5 HB2 PRO 5 9.505 -1.272 -1.983 37 2HB PRO 5 HB1 PRO 5 9.860 0.395 -1.488 38 1HG PRO 5 HG2 PRO 5 9.951 -2.114 0.114 39 2HG PRO 5 HG1 PRO 5 11.051 -0.727 0.127 40 1HD PRO 5 HD2 PRO 5 9.142 -1.124 2.019 41 2HD PRO 5 HD1 PRO 5 9.716 0.489 1.541 42 H GLY 6 HN GLY 6 5.873 -0.480 -2.358 43 1HA GLY 6 HA2 GLY 6 5.247 -2.639 -3.495 44 2HA GLY 6 HA1 GLY 6 5.614 -3.435 -1.963 45 H MET 7 HN MET 7 4.392 -1.272 -0.362 46 HA MET 7 HA MET 7 2.273 -0.968 0.659 47 1HB MET 7 HB2 MET 7 1.514 -0.787 -2.279 48 2HB MET 7 HB1 MET 7 0.689 -0.006 -0.930 49 1HG MET 7 HG2 MET 7 3.559 0.592 -1.026 50 2HG MET 7 HG1 MET 7 2.687 1.147 -2.455 51 1HE MET 7 HE1 MET 7 3.750 2.433 1.066 52 2HE MET 7 HE2 MET 7 2.970 0.857 1.175 53 3HE MET 7 HE3 MET 7 2.205 2.263 1.910 54 H THR 8 HN THR 8 -0.309 -1.736 -0.355 55 HA THR 8 HA THR 8 -1.696 -3.658 -0.370 56 HB THR 8 HB THR 8 0.770 -4.456 -1.943 57 HG1 THR 8 HG1 THR 8 -0.636 -2.766 -2.699 58 1HG2 THR 8 HG21 THR 8 -1.023 -6.272 -0.900 59 2HG2 THR 8 HG22 THR 8 -0.069 -6.521 -2.361 60 3HG2 THR 8 HG23 THR 8 -1.723 -5.922 -2.480 61 H CYS 9 HN CYS 9 -1.345 -3.869 2.017 62 HA CYS 9 HA CYS 9 0.030 -6.415 2.656 63 1HB CYS 9 HB2 CYS 9 1.111 -5.251 4.597 64 2HB CYS 9 HB1 CYS 9 1.712 -4.728 3.029 65 H ALA 10 HN ALA 10 -2.607 -6.551 2.611 66 HA ALA 10 HA ALA 10 -4.591 -6.710 3.926 67 1HB ALA 10 HB1 ALA 10 -2.640 -7.016 6.221 68 2HB ALA 10 HB2 ALA 10 -2.757 -8.258 4.973 69 3HB ALA 10 HB3 ALA 10 -4.163 -7.867 5.963 70 H ALA 11 HN ALA 11 -3.147 -4.161 3.547 71 HA ALA 11 HA ALA 11 -4.285 -2.596 5.809 72 1HB ALA 11 HB1 ALA 11 -2.191 -1.798 6.325 73 2HB ALA 11 HB2 ALA 11 -1.690 -1.772 4.636 74 3HB ALA 11 HB3 ALA 11 -1.653 -3.281 5.543 75 H CYS 12 HN CYS 12 -2.467 -2.160 2.717 76 HA CYS 12 HA CYS 12 -4.694 -0.346 1.831 77 1HB CYS 12 HB2 CYS 12 -3.151 1.367 1.288 78 2HB CYS 12 HB1 CYS 12 -2.619 0.777 2.861 79 HA PRO 13 HA PRO 13 -2.959 -2.991 -1.683 80 1HB PRO 13 HB2 PRO 13 -4.623 -5.174 -1.560 81 2HB PRO 13 HB1 PRO 13 -3.016 -5.166 -0.806 82 1HG PRO 13 HG2 PRO 13 -5.689 -4.717 0.440 83 2HG PRO 13 HG1 PRO 13 -4.308 -5.650 1.043 84 1HD PRO 13 HD2 PRO 13 -4.866 -3.166 1.945 85 2HD PRO 13 HD1 PRO 13 -3.202 -3.776 1.802 86 H ILE 14 HN ILE 14 -5.785 -1.981 -0.076 87 HA ILE 14 HA ILE 14 -7.523 -1.957 -2.413 88 HB ILE 14 HB ILE 14 -8.439 -2.598 -0.258 89 1HG1 ILE 14 HG12 ILE 14 -9.693 -0.011 -0.149 90 2HG1 ILE 14 HG11 ILE 14 -9.420 -0.447 -1.837 91 1HG2 ILE 14 HG21 ILE 14 -8.471 -0.649 1.497 92 2HG2 ILE 14 HG22 ILE 14 -7.082 -0.052 0.588 93 3HG2 ILE 14 HG23 ILE 14 -7.024 -1.645 1.341 94 1HD1 ILE 14 HD11 ILE 14 -11.424 -1.539 -1.516 95 2HD1 ILE 14 HD12 ILE 14 -11.141 -1.772 0.209 96 3HD1 ILE 14 HD13 ILE 14 -10.332 -2.810 -0.965 97 H THR 15 HN THR 15 -5.368 0.052 -0.722 98 HA THR 15 HA THR 15 -6.427 2.583 -1.821 99 HB THR 15 HB THR 15 -4.738 1.562 0.295 100 HG1 THR 15 HG1 THR 15 -6.244 2.912 0.940 101 1HG2 THR 15 HG21 THR 15 -3.169 3.634 0.234 102 2HG2 THR 15 HG22 THR 15 -3.546 3.687 -1.488 103 3HG2 THR 15 HG23 THR 15 -2.765 2.263 -0.800 104 H VAL 16 HN VAL 16 -3.325 0.818 -1.869 105 HA VAL 16 HA VAL 16 -2.598 2.051 -4.468 106 HB VAL 16 HB VAL 16 -1.150 0.088 -2.650 107 1HG1 VAL 16 HG11 VAL 16 0.862 1.069 -3.854 108 2HG1 VAL 16 HG12 VAL 16 -0.274 1.811 -4.981 109 3HG1 VAL 16 HG13 VAL 16 -0.185 0.055 -4.848 110 1HG2 VAL 16 HG21 VAL 16 -1.672 2.948 -2.415 111 2HG2 VAL 16 HG22 VAL 16 0.058 2.605 -2.478 112 3HG2 VAL 16 HG23 VAL 16 -0.947 1.846 -1.243 113 H LYS 17 HN LYS 17 -4.859 0.131 -4.180 114 HA LYS 17 HA LYS 17 -4.259 -2.496 -4.923 115 1HB LYS 17 HB2 LYS 17 -6.581 -2.547 -5.670 116 2HB LYS 17 HB1 LYS 17 -6.464 -1.533 -4.232 117 1HG LYS 17 HG2 LYS 17 -6.620 0.467 -5.484 118 2HG LYS 17 HG1 LYS 17 -6.244 -0.354 -7.000 119 1HD LYS 17 HD2 LYS 17 -8.413 -1.692 -6.605 120 2HD LYS 17 HD1 LYS 17 -8.802 -0.464 -5.400 121 1HE LYS 17 HE2 LYS 17 -9.268 1.108 -6.990 122 2HE LYS 17 HE1 LYS 17 -7.891 0.620 -7.999 123 1HZ LYS 17 HZ1 LYS 17 -10.258 -1.119 -7.647 124 2HZ LYS 17 HZ2 LYS 17 -9.059 -1.199 -8.847 125 3HZ LYS 17 HZ3 LYS 17 -10.202 0.058 -8.867 126 H LYS 18 HN LYS 18 -3.839 0.330 -6.697 127 HA LYS 18 HA LYS 18 -3.568 -1.194 -9.263 128 1HB LYS 18 HB2 LYS 18 -5.098 1.048 -8.586 129 2HB LYS 18 HB1 LYS 18 -3.718 1.715 -9.459 130 1HG LYS 18 HG2 LYS 18 -4.156 -0.118 -11.209 131 2HG LYS 18 HG1 LYS 18 -5.714 -0.340 -10.414 132 1HD LYS 18 HD2 LYS 18 -6.428 1.851 -10.939 133 2HD LYS 18 HD1 LYS 18 -4.787 2.393 -11.291 134 1HE LYS 18 HE2 LYS 18 -5.126 0.302 -13.081 135 2HE LYS 18 HE1 LYS 18 -6.721 1.080 -13.064 136 1HZ LYS 18 HZ1 LYS 18 -4.991 2.096 -14.596 137 2HZ LYS 18 HZ2 LYS 18 -4.209 2.643 -13.191 138 3HZ LYS 18 HZ3 LYS 18 -5.788 3.160 -13.544 Start of MODEL 3 1 1H THR 1 HT1 THR 1 11.536 7.734 4.848 2 2H THR 1 HT2 THR 1 10.879 7.102 6.281 3 3H THR 1 HT3 THR 1 9.978 8.191 5.338 4 HA THR 1 HA THR 1 9.331 6.617 3.858 5 HB THR 1 HB THR 1 11.841 5.037 4.414 6 HG1 THR 1 HG1 THR 1 12.964 6.370 3.130 7 1HG2 THR 1 HG21 THR 1 9.787 4.416 2.849 8 2HG2 THR 1 HG22 THR 1 11.444 4.071 2.352 9 3HG2 THR 1 HG23 THR 1 10.615 5.497 1.728 10 H LEU 2 HN LEU 2 7.850 6.295 5.773 11 HA LEU 2 HA LEU 2 8.425 3.761 7.266 12 1HB LEU 2 HB2 LEU 2 7.631 6.347 8.038 13 2HB LEU 2 HB1 LEU 2 6.182 5.354 8.203 14 HG LEU 2 HG LEU 2 8.894 4.634 9.351 15 1HD1 LEU 2 HD11 LEU 2 6.644 5.223 11.163 16 2HD1 LEU 2 HD12 LEU 2 7.227 6.621 10.259 17 3HD1 LEU 2 HD13 LEU 2 8.337 5.704 11.278 18 1HD2 LEU 2 HD21 LEU 2 7.775 2.807 10.393 19 2HD2 LEU 2 HD22 LEU 2 7.200 2.800 8.725 20 3HD2 LEU 2 HD23 LEU 2 6.184 3.461 10.006 21 H ALA 3 HN ALA 3 7.650 2.540 5.314 22 HA ALA 3 HA ALA 3 4.785 1.971 5.512 23 1HB ALA 3 HB1 ALA 3 4.090 2.945 3.520 24 2HB ALA 3 HB2 ALA 3 5.698 2.859 2.802 25 3HB ALA 3 HB3 ALA 3 5.335 4.098 4.003 26 H VAL 4 HN VAL 4 4.354 -0.101 4.701 27 HA VAL 4 HA VAL 4 6.480 -1.933 4.275 28 HB VAL 4 HB VAL 4 4.122 -2.416 4.972 29 1HG1 VAL 4 HG11 VAL 4 2.410 -2.575 3.184 30 2HG1 VAL 4 HG12 VAL 4 3.569 -1.911 2.032 31 3HG1 VAL 4 HG13 VAL 4 2.997 -0.923 3.376 32 1HG2 VAL 4 HG21 VAL 4 5.713 -4.144 3.956 33 2HG2 VAL 4 HG22 VAL 4 4.831 -3.924 2.445 34 3HG2 VAL 4 HG23 VAL 4 3.995 -4.538 3.871 35 HA PRO 5 HA PRO 5 7.525 -0.949 0.088 36 1HB PRO 5 HB2 PRO 5 9.079 -3.149 -0.406 37 2HB PRO 5 HB1 PRO 5 9.632 -1.777 0.575 38 1HG PRO 5 HG2 PRO 5 8.597 -4.429 1.443 39 2HG PRO 5 HG1 PRO 5 9.905 -3.449 2.123 40 1HD PRO 5 HD2 PRO 5 7.407 -3.592 3.212 41 2HD PRO 5 HD1 PRO 5 8.477 -2.183 3.385 42 H GLY 6 HN GLY 6 5.927 -1.221 -1.436 43 1HA GLY 6 HA2 GLY 6 5.167 -2.753 -3.255 44 2HA GLY 6 HA1 GLY 6 5.060 -4.022 -2.033 45 H MET 7 HN MET 7 3.904 -2.144 -0.037 46 HA MET 7 HA MET 7 1.725 -1.588 0.692 47 1HB MET 7 HB2 MET 7 1.891 -0.628 -2.176 48 2HB MET 7 HB1 MET 7 0.488 -0.290 -1.161 49 1HG MET 7 HG2 MET 7 1.583 1.345 -0.062 50 2HG MET 7 HG1 MET 7 2.961 0.290 0.251 51 1HE MET 7 HE1 MET 7 3.203 3.190 -0.027 52 2HE MET 7 HE2 MET 7 2.033 3.555 -1.293 53 3HE MET 7 HE3 MET 7 3.743 3.883 -1.563 54 H THR 8 HN THR 8 -0.735 -1.694 -0.645 55 HA THR 8 HA THR 8 -2.401 -3.271 -1.240 56 HB THR 8 HB THR 8 0.070 -4.066 -2.795 57 HG1 THR 8 HG1 THR 8 -1.029 -3.016 -4.434 58 1HG2 THR 8 HG21 THR 8 -2.428 -5.019 -3.932 59 2HG2 THR 8 HG22 THR 8 -2.146 -5.735 -2.347 60 3HG2 THR 8 HG23 THR 8 -0.938 -5.907 -3.619 61 H CYS 9 HN CYS 9 -2.155 -4.022 1.130 62 HA CYS 9 HA CYS 9 -1.481 -6.907 1.133 63 1HB CYS 9 HB2 CYS 9 -0.224 -6.548 3.262 64 2HB CYS 9 HB1 CYS 9 0.544 -5.809 1.863 65 H ALA 10 HN ALA 10 -4.066 -6.341 1.088 66 HA ALA 10 HA ALA 10 -6.091 -6.301 2.351 67 1HB ALA 10 HB1 ALA 10 -4.471 -7.672 4.495 68 2HB ALA 10 HB2 ALA 10 -4.682 -8.469 2.936 69 3HB ALA 10 HB3 ALA 10 -6.090 -8.064 3.916 70 H ALA 11 HN ALA 11 -4.034 -4.201 2.643 71 HA ALA 11 HA ALA 11 -4.852 -3.058 5.267 72 1HB ALA 11 HB1 ALA 11 -2.655 -2.993 5.932 73 2HB ALA 11 HB2 ALA 11 -2.085 -2.617 4.307 74 3HB ALA 11 HB3 ALA 11 -2.458 -4.280 4.748 75 H CYS 12 HN CYS 12 -2.822 -2.263 2.387 76 HA CYS 12 HA CYS 12 -4.484 0.230 2.091 77 1HB CYS 12 HB2 CYS 12 -2.518 1.540 1.915 78 2HB CYS 12 HB1 CYS 12 -2.182 0.434 3.244 79 HA PRO 13 HA PRO 13 -3.440 -1.805 -2.071 80 1HB PRO 13 HB2 PRO 13 -5.645 -3.412 -2.421 81 2HB PRO 13 HB1 PRO 13 -4.108 -4.032 -1.784 82 1HG PRO 13 HG2 PRO 13 -6.570 -3.214 -0.307 83 2HG PRO 13 HG1 PRO 13 -5.518 -4.617 -0.051 84 1HD PRO 13 HD2 PRO 13 -5.352 -2.427 1.502 85 2HD PRO 13 HD1 PRO 13 -3.918 -3.384 1.069 86 H ILE 14 HN ILE 14 -5.925 -0.521 -0.134 87 HA ILE 14 HA ILE 14 -7.580 0.525 -2.264 88 HB ILE 14 HB ILE 14 -8.635 -0.191 -0.221 89 1HG1 ILE 14 HG12 ILE 14 -9.028 2.481 0.608 90 2HG1 ILE 14 HG11 ILE 14 -8.728 2.553 -1.129 91 1HG2 ILE 14 HG21 ILE 14 -6.271 1.039 0.929 92 2HG2 ILE 14 HG22 ILE 14 -7.390 -0.114 1.656 93 3HG2 ILE 14 HG23 ILE 14 -7.732 1.615 1.733 94 1HD1 ILE 14 HD11 ILE 14 -10.607 0.481 -0.034 95 2HD1 ILE 14 HD12 ILE 14 -10.570 1.211 -1.639 96 3HD1 ILE 14 HD13 ILE 14 -11.171 2.136 -0.264 97 H THR 15 HN THR 15 -4.870 1.439 -0.446 98 HA THR 15 HA THR 15 -5.119 4.332 -0.942 99 HB THR 15 HB THR 15 -3.494 2.348 0.526 100 HG1 THR 15 HG1 THR 15 -5.041 3.797 1.441 101 1HG2 THR 15 HG21 THR 15 -1.775 4.417 0.813 102 2HG2 THR 15 HG22 THR 15 -2.236 4.657 -0.872 103 3HG2 THR 15 HG23 THR 15 -1.524 3.127 -0.362 104 H VAL 16 HN VAL 16 -2.755 1.780 -1.744 105 HA VAL 16 HA VAL 16 -1.924 3.250 -4.187 106 HB VAL 16 HB VAL 16 -0.967 0.567 -3.151 107 1HG1 VAL 16 HG11 VAL 16 0.368 2.799 -4.714 108 2HG1 VAL 16 HG12 VAL 16 -0.184 1.260 -5.376 109 3HG1 VAL 16 HG13 VAL 16 1.147 1.296 -4.219 110 1HG2 VAL 16 HG21 VAL 16 -0.553 1.747 -1.219 111 2HG2 VAL 16 HG22 VAL 16 -0.548 3.304 -2.046 112 3HG2 VAL 16 HG23 VAL 16 0.865 2.253 -2.138 113 H LYS 17 HN LYS 17 -4.634 2.171 -3.978 114 HA LYS 17 HA LYS 17 -4.972 -0.352 -5.172 115 1HB LYS 17 HB2 LYS 17 -6.564 1.516 -4.097 116 2HB LYS 17 HB1 LYS 17 -6.862 1.854 -5.802 117 1HG LYS 17 HG2 LYS 17 -7.239 -0.803 -4.391 118 2HG LYS 17 HG1 LYS 17 -8.506 0.235 -5.044 119 1HD LYS 17 HD2 LYS 17 -7.402 -0.036 -7.316 120 2HD LYS 17 HD1 LYS 17 -6.394 -1.286 -6.587 121 1HE LYS 17 HE2 LYS 17 -9.375 -1.452 -6.229 122 2HE LYS 17 HE1 LYS 17 -8.655 -1.978 -7.764 123 1HZ LYS 17 HZ1 LYS 17 -7.362 -2.795 -5.263 124 2HZ LYS 17 HZ2 LYS 17 -7.435 -3.603 -6.756 125 3HZ LYS 17 HZ3 LYS 17 -8.782 -3.602 -5.721 126 H LYS 18 HN LYS 18 -3.726 2.432 -6.494 127 HA LYS 18 HA LYS 18 -3.060 2.988 -8.668 128 1HB LYS 18 HB2 LYS 18 -3.043 0.122 -8.342 129 2HB LYS 18 HB1 LYS 18 -3.443 0.532 -10.011 130 1HG LYS 18 HG2 LYS 18 -0.978 0.325 -9.615 131 2HG LYS 18 HG1 LYS 18 -1.455 1.920 -10.198 132 1HD LYS 18 HD2 LYS 18 -1.253 2.890 -8.039 133 2HD LYS 18 HD1 LYS 18 -1.206 1.313 -7.250 134 1HE LYS 18 HE2 LYS 18 1.013 0.921 -7.866 135 2HE LYS 18 HE1 LYS 18 0.923 2.015 -9.261 136 1HZ LYS 18 HZ1 LYS 18 1.326 2.638 -6.443 137 2HZ LYS 18 HZ2 LYS 18 0.312 3.693 -7.308 138 3HZ LYS 18 HZ3 LYS 18 1.910 3.435 -7.822 Start of MODEL 4 1 1H THR 1 HT1 THR 1 2.861 4.639 8.142 2 2H THR 1 HT2 THR 1 2.598 3.515 6.895 3 3H THR 1 HT3 THR 1 1.442 4.717 7.217 4 HA THR 1 HA THR 1 2.981 6.445 6.505 5 HB THR 1 HB THR 1 5.151 5.484 5.487 6 HG1 THR 1 HG1 THR 1 4.292 3.301 5.581 7 1HG2 THR 1 HG21 THR 1 5.486 6.673 7.459 8 2HG2 THR 1 HG22 THR 1 6.066 5.072 7.919 9 3HG2 THR 1 HG23 THR 1 4.453 5.598 8.402 10 H LEU 2 HN LEU 2 2.801 7.072 4.310 11 HA LEU 2 HA LEU 2 1.004 5.748 2.600 12 1HB LEU 2 HB2 LEU 2 2.450 8.093 2.655 13 2HB LEU 2 HB1 LEU 2 3.168 7.254 1.279 14 HG LEU 2 HG LEU 2 1.313 8.532 0.431 15 1HD1 LEU 2 HD11 LEU 2 0.436 5.648 0.794 16 2HD1 LEU 2 HD12 LEU 2 1.550 6.222 -0.447 17 3HD1 LEU 2 HD13 LEU 2 -0.131 6.754 -0.458 18 1HD2 LEU 2 HD21 LEU 2 -1.019 7.983 1.403 19 2HD2 LEU 2 HD22 LEU 2 0.032 9.021 2.367 20 3HD2 LEU 2 HD23 LEU 2 -0.145 7.316 2.781 21 H ALA 3 HN ALA 3 4.544 5.452 2.799 22 HA ALA 3 HA ALA 3 4.458 3.301 0.719 23 1HB ALA 3 HB1 ALA 3 6.574 5.152 1.830 24 2HB ALA 3 HB2 ALA 3 6.002 5.022 0.167 25 3HB ALA 3 HB3 ALA 3 7.004 3.746 0.857 26 H VAL 4 HN VAL 4 4.834 1.202 1.363 27 HA VAL 4 HA VAL 4 5.904 0.766 4.138 28 HB VAL 4 HB VAL 4 4.258 -0.949 4.397 29 1HG1 VAL 4 HG11 VAL 4 3.515 1.672 3.757 30 2HG1 VAL 4 HG12 VAL 4 2.527 0.477 4.597 31 3HG1 VAL 4 HG13 VAL 4 2.396 0.656 2.848 32 1HG2 VAL 4 HG21 VAL 4 4.617 -1.963 2.146 33 2HG2 VAL 4 HG22 VAL 4 3.670 -0.657 1.434 34 3HG2 VAL 4 HG23 VAL 4 2.906 -1.798 2.540 35 HA PRO 5 HA PRO 5 8.862 -1.973 2.387 36 1HB PRO 5 HB2 PRO 5 8.768 -4.171 4.029 37 2HB PRO 5 HB1 PRO 5 9.498 -2.627 4.516 38 1HG PRO 5 HG2 PRO 5 6.798 -3.724 5.146 39 2HG PRO 5 HG1 PRO 5 7.934 -2.856 6.192 40 1HD PRO 5 HD2 PRO 5 5.787 -1.658 5.075 41 2HD PRO 5 HD1 PRO 5 7.305 -0.791 5.387 42 H GLY 6 HN GLY 6 6.962 -2.087 0.669 43 1HA GLY 6 HA2 GLY 6 6.845 -4.307 -0.792 44 2HA GLY 6 HA1 GLY 6 5.751 -4.786 0.510 45 H MET 7 HN MET 7 4.558 -4.699 -1.895 46 HA MET 7 HA MET 7 2.827 -2.286 -1.671 47 1HB MET 7 HB2 MET 7 4.750 -2.969 -3.808 48 2HB MET 7 HB1 MET 7 3.145 -2.520 -4.386 49 1HG MET 7 HG2 MET 7 3.496 -0.351 -3.892 50 2HG MET 7 HG1 MET 7 4.002 -0.753 -2.251 51 1HE MET 7 HE1 MET 7 5.989 1.704 -4.263 52 2HE MET 7 HE2 MET 7 6.669 1.359 -2.675 53 3HE MET 7 HE3 MET 7 4.921 1.394 -2.888 54 H THR 8 HN THR 8 0.718 -2.951 -1.795 55 HA THR 8 HA THR 8 -1.147 -4.348 -2.197 56 HB THR 8 HB THR 8 0.486 -5.125 -4.629 57 HG1 THR 8 HG1 THR 8 -0.205 -3.223 -5.535 58 1HG2 THR 8 HG21 THR 8 -2.435 -4.532 -4.667 59 2HG2 THR 8 HG22 THR 8 -1.923 -6.043 -3.916 60 3HG2 THR 8 HG23 THR 8 -1.516 -5.713 -5.600 61 H CYS 9 HN CYS 9 -0.804 -5.869 -0.456 62 HA CYS 9 HA CYS 9 -0.274 -8.583 -1.306 63 1HB CYS 9 HB2 CYS 9 1.748 -8.873 0.108 64 2HB CYS 9 HB1 CYS 9 2.011 -7.769 -1.235 65 H ALA 10 HN ALA 10 -2.565 -7.843 -0.154 66 HA ALA 10 HA ALA 10 -3.929 -8.060 1.793 67 1HB ALA 10 HB1 ALA 10 -1.905 -10.131 2.641 68 2HB ALA 10 HB2 ALA 10 -2.842 -10.390 1.169 69 3HB ALA 10 HB3 ALA 10 -3.665 -10.214 2.719 70 H ALA 11 HN ALA 11 -1.572 -6.285 1.762 71 HA ALA 11 HA ALA 11 -1.144 -5.974 4.692 72 1HB ALA 11 HB1 ALA 11 0.632 -7.100 2.932 73 2HB ALA 11 HB2 ALA 11 1.115 -6.254 4.397 74 3HB ALA 11 HB3 ALA 11 1.103 -5.406 2.852 75 H CYS 12 HN CYS 12 -0.353 -4.467 1.507 76 HA CYS 12 HA CYS 12 -1.531 -1.917 2.566 77 1HB CYS 12 HB2 CYS 12 0.445 -0.712 2.091 78 2HB CYS 12 HB1 CYS 12 1.037 -2.210 2.802 79 HA PRO 13 HA PRO 13 -2.329 -2.619 -2.039 80 1HB PRO 13 HB2 PRO 13 -4.764 -3.888 -1.943 81 2HB PRO 13 HB1 PRO 13 -3.235 -4.781 -2.089 82 1HG PRO 13 HG2 PRO 13 -4.907 -4.280 0.327 83 2HG PRO 13 HG1 PRO 13 -4.052 -5.751 -0.167 84 1HD PRO 13 HD2 PRO 13 -3.083 -4.069 1.723 85 2HD PRO 13 HD1 PRO 13 -2.033 -5.006 0.640 86 H ILE 14 HN ILE 14 -3.706 -1.774 0.942 87 HA ILE 14 HA ILE 14 -5.777 -0.024 -0.105 88 HB ILE 14 HB ILE 14 -6.295 -1.294 1.869 89 1HG1 ILE 14 HG12 ILE 14 -5.669 1.237 3.263 90 2HG1 ILE 14 HG11 ILE 14 -6.563 1.423 1.754 91 1HG2 ILE 14 HG21 ILE 14 -4.557 -1.958 3.141 92 2HG2 ILE 14 HG22 ILE 14 -4.543 -0.342 3.846 93 3HG2 ILE 14 HG23 ILE 14 -3.513 -0.709 2.463 94 1HD1 ILE 14 HD11 ILE 14 -8.368 0.123 2.517 95 2HD1 ILE 14 HD12 ILE 14 -7.917 1.056 3.944 96 3HD1 ILE 14 HD13 ILE 14 -7.409 -0.626 3.792 97 H THR 15 HN THR 15 -2.538 0.081 0.923 98 HA THR 15 HA THR 15 -2.407 2.946 1.493 99 HB THR 15 HB THR 15 -0.744 0.507 1.356 100 HG1 THR 15 HG1 THR 15 0.036 1.440 3.299 101 1HG2 THR 15 HG21 THR 15 0.333 3.205 0.614 102 2HG2 THR 15 HG22 THR 15 0.801 1.613 0.017 103 3HG2 THR 15 HG23 THR 15 1.332 2.149 1.611 104 H VAL 16 HN VAL 16 -0.782 0.953 -0.980 105 HA VAL 16 HA VAL 16 -0.828 3.227 -2.885 106 HB VAL 16 HB VAL 16 0.358 0.427 -2.982 107 1HG1 VAL 16 HG11 VAL 16 0.885 0.833 -5.133 108 2HG1 VAL 16 HG12 VAL 16 1.621 2.375 -4.696 109 3HG1 VAL 16 HG13 VAL 16 -0.102 2.292 -5.061 110 1HG2 VAL 16 HG21 VAL 16 1.958 1.284 -1.645 111 2HG2 VAL 16 HG22 VAL 16 1.172 2.863 -1.662 112 3HG2 VAL 16 HG23 VAL 16 2.342 2.447 -2.914 113 H LYS 17 HN LYS 17 -3.317 1.867 -2.064 114 HA LYS 17 HA LYS 17 -4.262 -0.078 -3.825 115 1HB LYS 17 HB2 LYS 17 -5.316 0.912 -1.743 116 2HB LYS 17 HB1 LYS 17 -5.818 2.274 -2.746 117 1HG LYS 17 HG2 LYS 17 -6.575 -0.030 -4.178 118 2HG LYS 17 HG1 LYS 17 -7.027 -0.345 -2.501 119 1HD LYS 17 HD2 LYS 17 -8.129 1.919 -2.449 120 2HD LYS 17 HD1 LYS 17 -7.821 2.048 -4.182 121 1HE LYS 17 HE2 LYS 17 -9.195 -0.419 -3.160 122 2HE LYS 17 HE1 LYS 17 -10.135 1.076 -3.335 123 1HZ LYS 17 HZ1 LYS 17 -9.722 -0.535 -5.372 124 2HZ LYS 17 HZ2 LYS 17 -8.290 0.372 -5.490 125 3HZ LYS 17 HZ3 LYS 17 -9.800 1.148 -5.568 126 H LYS 18 HN LYS 18 -3.463 3.138 -4.448 127 HA LYS 18 HA LYS 18 -5.160 3.937 -6.547 128 1HB LYS 18 HB2 LYS 18 -2.176 4.339 -6.152 129 2HB LYS 18 HB1 LYS 18 -3.185 5.308 -7.226 130 1HG LYS 18 HG2 LYS 18 -4.651 5.741 -5.138 131 2HG LYS 18 HG1 LYS 18 -3.270 5.149 -4.215 132 1HD LYS 18 HD2 LYS 18 -3.029 7.534 -4.350 133 2HD LYS 18 HD1 LYS 18 -1.848 6.843 -5.464 134 1HE LYS 18 HE2 LYS 18 -2.902 7.704 -7.303 135 2HE LYS 18 HE1 LYS 18 -4.517 7.371 -6.646 136 1HZ LYS 18 HZ1 LYS 18 -4.434 9.243 -5.280 137 2HZ LYS 18 HZ2 LYS 18 -3.782 9.798 -6.747 138 3HZ LYS 18 HZ3 LYS 18 -2.756 9.420 -5.447 Start of MODEL 5 1 1H THR 1 HT1 THR 1 6.703 5.472 -6.149 2 2H THR 1 HT2 THR 1 5.135 5.655 -5.521 3 3H THR 1 HT3 THR 1 5.358 5.063 -7.098 4 HA THR 1 HA THR 1 4.823 3.214 -5.674 5 HB THR 1 HB THR 1 7.728 3.485 -6.509 6 HG1 THR 1 HG1 THR 1 6.925 2.441 -8.372 7 1HG2 THR 1 HG21 THR 1 6.641 1.466 -4.958 8 2HG2 THR 1 HG22 THR 1 8.081 1.320 -5.966 9 3HG2 THR 1 HG23 THR 1 6.510 0.825 -6.595 10 H LEU 2 HN LEU 2 4.489 4.208 -3.473 11 HA LEU 2 HA LEU 2 6.871 4.268 -1.706 12 1HB LEU 2 HB2 LEU 2 3.924 4.834 -1.238 13 2HB LEU 2 HB1 LEU 2 5.229 5.197 -0.108 14 HG LEU 2 HG LEU 2 4.856 6.371 -2.878 15 1HD1 LEU 2 HD11 LEU 2 3.409 7.372 -1.179 16 2HD1 LEU 2 HD12 LEU 2 4.701 8.499 -1.589 17 3HD1 LEU 2 HD13 LEU 2 4.783 7.571 -0.092 18 1HD2 LEU 2 HD21 LEU 2 7.199 6.150 -2.633 19 2HD2 LEU 2 HD22 LEU 2 7.137 6.486 -0.903 20 3HD2 LEU 2 HD23 LEU 2 6.871 7.786 -2.064 21 H ALA 3 HN ALA 3 7.018 1.784 -2.156 22 HA ALA 3 HA ALA 3 5.024 0.112 -0.794 23 1HB ALA 3 HB1 ALA 3 7.606 -0.262 -2.295 24 2HB ALA 3 HB2 ALA 3 5.997 -0.862 -2.695 25 3HB ALA 3 HB3 ALA 3 6.916 -1.607 -1.387 26 H VAL 4 HN VAL 4 5.053 0.355 1.433 27 HA VAL 4 HA VAL 4 7.703 -0.002 2.802 28 HB VAL 4 HB VAL 4 6.860 1.584 4.479 29 1HG1 VAL 4 HG11 VAL 4 7.960 2.804 2.832 30 2HG1 VAL 4 HG12 VAL 4 6.363 3.549 2.783 31 3HG1 VAL 4 HG13 VAL 4 6.810 2.341 1.578 32 1HG2 VAL 4 HG21 VAL 4 4.599 2.743 3.475 33 2HG2 VAL 4 HG22 VAL 4 4.592 1.490 4.716 34 3HG2 VAL 4 HG23 VAL 4 4.337 1.058 3.025 35 HA PRO 5 HA PRO 5 5.839 -3.286 5.043 36 1HB PRO 5 HB2 PRO 5 6.762 -2.893 7.595 37 2HB PRO 5 HB1 PRO 5 7.789 -3.490 6.275 38 1HG PRO 5 HG2 PRO 5 7.554 -0.735 7.390 39 2HG PRO 5 HG1 PRO 5 8.998 -1.625 6.880 40 1HD PRO 5 HD2 PRO 5 7.837 0.278 5.343 41 2HD PRO 5 HD1 PRO 5 8.686 -1.124 4.655 42 H GLY 6 HN GLY 6 3.785 -1.817 4.618 43 1HA GLY 6 HA2 GLY 6 1.958 -2.008 6.669 44 2HA GLY 6 HA1 GLY 6 2.705 -0.433 6.946 45 H MET 7 HN MET 7 3.162 -0.139 3.982 46 HA MET 7 HA MET 7 0.329 0.424 3.172 47 1HB MET 7 HB2 MET 7 2.790 2.108 2.617 48 2HB MET 7 HB1 MET 7 1.108 2.555 2.324 49 1HG MET 7 HG2 MET 7 0.648 2.461 4.740 50 2HG MET 7 HG1 MET 7 2.318 1.988 5.047 51 1HE MET 7 HE1 MET 7 0.837 4.974 6.293 52 2HE MET 7 HE2 MET 7 -0.163 4.287 5.015 53 3HE MET 7 HE3 MET 7 0.460 5.927 4.851 54 H THR 8 HN THR 8 -0.153 -0.707 1.344 55 HA THR 8 HA THR 8 0.113 -1.816 -0.724 56 HB THR 8 HB THR 8 2.316 0.263 -0.923 57 HG1 THR 8 HG1 THR 8 0.746 1.626 -1.039 58 1HG2 THR 8 HG21 THR 8 1.694 -1.801 -2.669 59 2HG2 THR 8 HG22 THR 8 2.547 -0.316 -3.093 60 3HG2 THR 8 HG23 THR 8 0.803 -0.429 -3.327 61 H CYS 9 HN CYS 9 0.965 -3.730 0.566 62 HA CYS 9 HA CYS 9 3.650 -4.446 -0.412 63 1HB CYS 9 HB2 CYS 9 4.327 -5.077 1.916 64 2HB CYS 9 HB1 CYS 9 4.163 -3.345 1.664 65 H ALA 10 HN ALA 10 1.570 -5.714 -1.470 66 HA ALA 10 HA ALA 10 0.378 -7.782 -1.574 67 1HB ALA 10 HB1 ALA 10 2.105 -9.511 -0.269 68 2HB ALA 10 HB2 ALA 10 3.167 -8.160 -0.668 69 3HB ALA 10 HB3 ALA 10 2.289 -8.998 -1.946 70 H ALA 11 HN ALA 11 0.109 -5.952 0.731 71 HA ALA 11 HA ALA 11 -1.007 -7.837 2.750 72 1HB ALA 11 HB1 ALA 11 1.361 -6.485 2.966 73 2HB ALA 11 HB2 ALA 11 0.364 -6.913 4.350 74 3HB ALA 11 HB3 ALA 11 0.247 -5.302 3.643 75 H CYS 12 HN CYS 12 -0.713 -4.336 1.936 76 HA CYS 12 HA CYS 12 -3.706 -4.164 2.116 77 1HB CYS 12 HB2 CYS 12 -3.585 -2.385 3.681 78 2HB CYS 12 HB1 CYS 12 -2.412 -3.564 4.266 79 HA PRO 13 HA PRO 13 -1.773 -1.340 -1.167 80 1HB PRO 13 HB2 PRO 13 -1.893 -2.980 -3.372 81 2HB PRO 13 HB1 PRO 13 -0.416 -2.803 -2.400 82 1HG PRO 13 HG2 PRO 13 -2.484 -4.954 -2.317 83 2HG PRO 13 HG1 PRO 13 -0.718 -5.088 -2.249 84 1HD PRO 13 HD2 PRO 13 -2.238 -5.255 -0.033 85 2HD PRO 13 HD1 PRO 13 -0.626 -4.506 -0.016 86 H ILE 14 HN ILE 14 -4.167 -3.699 -0.572 87 HA ILE 14 HA ILE 14 -6.155 -2.595 -2.394 88 HB ILE 14 HB ILE 14 -6.025 -4.994 -2.188 89 1HG1 ILE 14 HG12 ILE 14 -8.310 -5.500 -1.271 90 2HG1 ILE 14 HG11 ILE 14 -8.390 -3.839 -0.680 91 1HG2 ILE 14 HG21 ILE 14 -6.795 -5.599 0.414 92 2HG2 ILE 14 HG22 ILE 14 -5.638 -4.285 0.625 93 3HG2 ILE 14 HG23 ILE 14 -5.163 -5.748 -0.237 94 1HD1 ILE 14 HD11 ILE 14 -9.323 -3.419 -2.718 95 2HD1 ILE 14 HD12 ILE 14 -8.633 -4.871 -3.442 96 3HD1 ILE 14 HD13 ILE 14 -7.648 -3.418 -3.269 97 H THR 15 HN THR 15 -5.210 -2.435 0.886 98 HA THR 15 HA THR 15 -7.744 -1.221 1.799 99 HB THR 15 HB THR 15 -5.323 -2.509 2.803 100 HG1 THR 15 HG1 THR 15 -7.823 -2.813 3.019 101 1HG2 THR 15 HG21 THR 15 -5.457 -1.290 5.055 102 2HG2 THR 15 HG22 THR 15 -6.336 -0.020 4.203 103 3HG2 THR 15 HG23 THR 15 -4.678 -0.405 3.743 104 H VAL 16 HN VAL 16 -4.289 -0.301 1.886 105 HA VAL 16 HA VAL 16 -5.031 2.570 1.872 106 HB VAL 16 HB VAL 16 -2.434 1.010 2.112 107 1HG1 VAL 16 HG11 VAL 16 -2.911 3.804 1.464 108 2HG1 VAL 16 HG12 VAL 16 -1.386 2.919 1.524 109 3HG1 VAL 16 HG13 VAL 16 -2.042 3.646 2.991 110 1HG2 VAL 16 HG21 VAL 16 -4.450 1.545 3.964 111 2HG2 VAL 16 HG22 VAL 16 -3.237 2.783 4.293 112 3HG2 VAL 16 HG23 VAL 16 -2.793 1.077 4.347 113 H LYS 17 HN LYS 17 -5.626 0.924 -0.463 114 HA LYS 17 HA LYS 17 -3.756 0.982 -2.529 115 1HB LYS 17 HB2 LYS 17 -6.053 -0.071 -2.440 116 2HB LYS 17 HB1 LYS 17 -6.719 1.532 -2.754 117 1HG LYS 17 HG2 LYS 17 -5.440 1.653 -4.862 118 2HG LYS 17 HG1 LYS 17 -4.778 0.047 -4.551 119 1HD LYS 17 HD2 LYS 17 -7.587 -0.179 -4.263 120 2HD LYS 17 HD1 LYS 17 -7.309 0.748 -5.738 121 1HE LYS 17 HE2 LYS 17 -6.155 -0.995 -6.779 122 2HE LYS 17 HE1 LYS 17 -5.672 -1.728 -5.236 123 1HZ LYS 17 HZ1 LYS 17 -7.426 -3.067 -5.669 124 2HZ LYS 17 HZ2 LYS 17 -8.196 -1.937 -6.676 125 3HZ LYS 17 HZ3 LYS 17 -8.309 -1.790 -4.987 126 H LYS 18 HN LYS 18 -5.329 3.552 -1.009 127 HA LYS 18 HA LYS 18 -3.878 5.576 -2.506 128 1HB LYS 18 HB2 LYS 18 -6.553 4.690 -3.321 129 2HB LYS 18 HB1 LYS 18 -6.465 6.431 -3.051 130 1HG LYS 18 HG2 LYS 18 -4.165 5.322 -4.523 131 2HG LYS 18 HG1 LYS 18 -5.704 5.181 -5.374 132 1HD LYS 18 HD2 LYS 18 -4.663 7.315 -5.941 133 2HD LYS 18 HD1 LYS 18 -6.108 7.609 -4.974 134 1HE LYS 18 HE2 LYS 18 -4.882 8.243 -3.088 135 2HE LYS 18 HE1 LYS 18 -3.448 7.327 -3.592 136 1HZ LYS 18 HZ1 LYS 18 -4.533 9.657 -5.080 137 2HZ LYS 18 HZ2 LYS 18 -3.074 8.839 -5.379 138 3HZ LYS 18 HZ3 LYS 18 -3.258 9.766 -3.966 Start of MODEL 6 1 1H THR 1 HT1 THR 1 8.732 -2.092 7.146 2 2H THR 1 HT2 THR 1 8.494 -3.017 8.551 3 3H THR 1 HT3 THR 1 9.918 -2.111 8.359 4 HA THR 1 HA THR 1 7.167 -1.073 8.802 5 HB THR 1 HB THR 1 8.897 0.008 10.626 6 HG1 THR 1 HG1 THR 1 10.646 -1.181 9.994 7 1HG2 THR 1 HG21 THR 1 7.062 -0.910 11.628 8 2HG2 THR 1 HG22 THR 1 8.167 -2.251 11.930 9 3HG2 THR 1 HG23 THR 1 7.057 -2.314 10.561 10 H LEU 2 HN LEU 2 6.977 1.244 8.660 11 HA LEU 2 HA LEU 2 7.449 3.384 7.769 12 1HB LEU 2 HB2 LEU 2 9.766 2.348 8.996 13 2HB LEU 2 HB1 LEU 2 10.308 3.016 7.457 14 HG LEU 2 HG LEU 2 8.373 4.676 8.970 15 1HD1 LEU 2 HD11 LEU 2 10.159 3.599 10.594 16 2HD1 LEU 2 HD12 LEU 2 9.791 5.321 10.698 17 3HD1 LEU 2 HD13 LEU 2 11.239 4.778 9.850 18 1HD2 LEU 2 HD21 LEU 2 9.280 6.283 7.657 19 2HD2 LEU 2 HD22 LEU 2 10.096 4.973 6.803 20 3HD2 LEU 2 HD23 LEU 2 10.923 5.826 8.106 21 H ALA 3 HN ALA 3 6.811 3.630 5.662 22 HA ALA 3 HA ALA 3 6.800 3.422 3.305 23 1HB ALA 3 HB1 ALA 3 9.733 2.910 3.369 24 2HB ALA 3 HB2 ALA 3 9.176 4.373 4.181 25 3HB ALA 3 HB3 ALA 3 8.828 4.127 2.470 26 H VAL 4 HN VAL 4 5.743 1.216 3.743 27 HA VAL 4 HA VAL 4 7.456 -1.154 3.471 28 HB VAL 4 HB VAL 4 4.445 -0.979 3.242 29 1HG1 VAL 4 HG11 VAL 4 6.319 -3.088 3.305 30 2HG1 VAL 4 HG12 VAL 4 4.565 -3.220 3.430 31 3HG1 VAL 4 HG13 VAL 4 5.546 -3.085 4.890 32 1HG2 VAL 4 HG21 VAL 4 4.766 0.283 5.196 33 2HG2 VAL 4 HG22 VAL 4 6.222 -0.604 5.645 34 3HG2 VAL 4 HG23 VAL 4 4.639 -1.358 5.830 35 HA PRO 5 HA PRO 5 7.287 -0.830 -0.982 36 1HB PRO 5 HB2 PRO 5 8.722 -3.107 -1.488 37 2HB PRO 5 HB1 PRO 5 9.477 -1.578 -0.996 38 1HG PRO 5 HG2 PRO 5 8.857 -3.993 0.631 39 2HG PRO 5 HG1 PRO 5 10.268 -2.925 0.687 40 1HD PRO 5 HD2 PRO 5 8.221 -2.802 2.483 41 2HD PRO 5 HD1 PRO 5 9.226 -1.402 2.045 42 H GLY 6 HN GLY 6 5.194 -1.307 -1.646 43 1HA GLY 6 HA2 GLY 6 4.073 -3.216 -2.923 44 2HA GLY 6 HA1 GLY 6 4.310 -4.158 -1.449 45 H MET 7 HN MET 7 3.737 -1.761 0.244 46 HA MET 7 HA MET 7 1.857 -0.781 1.286 47 1HB MET 7 HB2 MET 7 0.687 -1.094 -1.496 48 2HB MET 7 HB1 MET 7 0.183 0.063 -0.263 49 1HG MET 7 HG2 MET 7 2.944 -0.032 -1.512 50 2HG MET 7 HG1 MET 7 1.670 1.099 -1.970 51 1HE MET 7 HE1 MET 7 0.574 2.554 -0.749 52 2HE MET 7 HE2 MET 7 1.903 3.711 -0.731 53 3HE MET 7 HE3 MET 7 1.029 3.361 0.758 54 H THR 8 HN THR 8 -0.901 -1.512 0.128 55 HA THR 8 HA THR 8 -2.552 -3.152 0.562 56 HB THR 8 HB THR 8 -0.143 -4.998 0.516 57 HG1 THR 8 HG1 THR 8 -1.740 -4.211 -1.677 58 1HG2 THR 8 HG21 THR 8 -2.705 -5.781 -0.718 59 2HG2 THR 8 HG22 THR 8 -2.770 -5.574 1.033 60 3HG2 THR 8 HG23 THR 8 -1.625 -6.710 0.321 61 H CYS 9 HN CYS 9 -2.579 -2.050 2.759 62 HA CYS 9 HA CYS 9 -1.994 -4.039 4.895 63 1HB CYS 9 HB2 CYS 9 -1.297 -1.236 5.535 64 2HB CYS 9 HB1 CYS 9 -0.474 -2.715 5.988 65 H ALA 10 HN ALA 10 -4.555 -3.376 3.868 66 HA ALA 10 HA ALA 10 -6.634 -2.392 4.513 67 1HB ALA 10 HB1 ALA 10 -6.499 -2.177 7.216 68 2HB ALA 10 HB2 ALA 10 -5.089 -3.200 6.944 69 3HB ALA 10 HB3 ALA 10 -6.682 -3.736 6.410 70 H ALA 11 HN ALA 11 -4.209 -0.798 3.906 71 HA ALA 11 HA ALA 11 -4.946 1.787 5.184 72 1HB ALA 11 HB1 ALA 11 -2.262 1.947 4.957 73 2HB ALA 11 HB2 ALA 11 -2.415 0.196 5.090 74 3HB ALA 11 HB3 ALA 11 -3.028 1.234 6.377 75 H CYS 12 HN CYS 12 -2.845 0.280 2.662 76 HA CYS 12 HA CYS 12 -3.843 2.398 0.773 77 1HB CYS 12 HB2 CYS 12 -1.104 1.462 0.273 78 2HB CYS 12 HB1 CYS 12 -1.728 3.104 0.336 79 HA PRO 13 HA PRO 13 -3.581 -1.899 -1.242 80 1HB PRO 13 HB2 PRO 13 -6.093 -2.893 -0.729 81 2HB PRO 13 HB1 PRO 13 -4.683 -3.314 0.265 82 1HG PRO 13 HG2 PRO 13 -6.813 -1.283 0.773 83 2HG PRO 13 HG1 PRO 13 -6.072 -2.442 1.893 84 1HD PRO 13 HD2 PRO 13 -5.338 0.146 1.851 85 2HD PRO 13 HD1 PRO 13 -4.174 -1.158 2.178 86 H ILE 14 HN ILE 14 -5.600 0.780 -0.638 87 HA ILE 14 HA ILE 14 -7.083 0.632 -3.136 88 HB ILE 14 HB ILE 14 -8.276 1.366 -1.181 89 1HG1 ILE 14 HG12 ILE 14 -7.855 4.065 -2.271 90 2HG1 ILE 14 HG11 ILE 14 -8.137 2.842 -3.511 91 1HG2 ILE 14 HG21 ILE 14 -7.039 2.284 0.468 92 2HG2 ILE 14 HG22 ILE 14 -7.079 3.792 -0.447 93 3HG2 ILE 14 HG23 ILE 14 -5.732 2.672 -0.651 94 1HD1 ILE 14 HD11 ILE 14 -10.081 2.077 -1.915 95 2HD1 ILE 14 HD12 ILE 14 -10.320 3.468 -2.973 96 3HD1 ILE 14 HD13 ILE 14 -9.936 3.711 -1.269 97 H THR 15 HN THR 15 -4.295 2.116 -1.834 98 HA THR 15 HA THR 15 -4.031 4.291 -3.730 99 HB THR 15 HB THR 15 -2.514 2.821 -1.644 100 HG1 THR 15 HG1 THR 15 -3.105 5.501 -2.303 101 1HG2 THR 15 HG21 THR 15 -0.573 2.863 -2.839 102 2HG2 THR 15 HG22 THR 15 -0.583 4.590 -2.480 103 3HG2 THR 15 HG23 THR 15 -1.216 4.005 -4.018 104 H VAL 16 HN VAL 16 -2.144 1.288 -3.368 105 HA VAL 16 HA VAL 16 -1.556 1.273 -6.276 106 HB VAL 16 HB VAL 16 -0.019 -0.553 -5.595 107 1HG1 VAL 16 HG11 VAL 16 0.245 2.098 -4.997 108 2HG1 VAL 16 HG12 VAL 16 1.513 0.900 -4.738 109 3HG1 VAL 16 HG13 VAL 16 0.461 1.374 -3.404 110 1HG2 VAL 16 HG21 VAL 16 -0.531 -0.193 -2.713 111 2HG2 VAL 16 HG22 VAL 16 -0.219 -1.672 -3.623 112 3HG2 VAL 16 HG23 VAL 16 -1.843 -0.986 -3.584 113 H LYS 17 HN LYS 17 -4.298 0.824 -5.239 114 HA LYS 17 HA LYS 17 -5.133 -1.794 -4.982 115 1HB LYS 17 HB2 LYS 17 -7.270 -0.969 -5.672 116 2HB LYS 17 HB1 LYS 17 -6.437 0.411 -4.956 117 1HG LYS 17 HG2 LYS 17 -7.218 1.332 -6.954 118 2HG LYS 17 HG1 LYS 17 -5.596 0.817 -7.417 119 1HD LYS 17 HD2 LYS 17 -6.397 -0.707 -8.879 120 2HD LYS 17 HD1 LYS 17 -7.548 -1.335 -7.699 121 1HE LYS 17 HE2 LYS 17 -9.118 -0.402 -9.085 122 2HE LYS 17 HE1 LYS 17 -8.652 1.119 -8.299 123 1HZ LYS 17 HZ1 LYS 17 -8.441 0.781 -10.904 124 2HZ LYS 17 HZ2 LYS 17 -6.937 0.136 -10.450 125 3HZ LYS 17 HZ3 LYS 17 -7.342 1.733 -10.030 126 H LYS 18 HN LYS 18 -3.854 -0.248 -7.716 127 HA LYS 18 HA LYS 18 -4.804 -1.717 -9.913 128 1HB LYS 18 HB2 LYS 18 -3.015 0.239 -9.511 129 2HB LYS 18 HB1 LYS 18 -1.887 -1.103 -9.702 130 1HG LYS 18 HG2 LYS 18 -2.191 -1.089 -11.928 131 2HG LYS 18 HG1 LYS 18 -3.930 -1.295 -11.717 132 1HD LYS 18 HD2 LYS 18 -2.853 1.417 -11.157 133 2HD LYS 18 HD1 LYS 18 -2.848 0.908 -12.846 134 1HE LYS 18 HE2 LYS 18 -5.287 0.276 -12.578 135 2HE LYS 18 HE1 LYS 18 -5.241 1.058 -10.985 136 1HZ LYS 18 HZ1 LYS 18 -5.707 2.887 -12.208 137 2HZ LYS 18 HZ2 LYS 18 -5.051 2.247 -13.638 138 3HZ LYS 18 HZ3 LYS 18 -4.028 2.900 -12.448 Start of MODEL 7 1 1H THR 1 HT1 THR 1 9.282 6.690 7.443 2 2H THR 1 HT2 THR 1 8.622 7.582 8.729 3 3H THR 1 HT3 THR 1 8.607 8.219 7.154 4 HA THR 1 HA THR 1 6.494 7.018 8.237 5 HB THR 1 HB THR 1 6.517 8.292 6.187 6 HG1 THR 1 HG1 THR 1 4.966 7.161 5.342 7 1HG2 THR 1 HG21 THR 1 7.516 6.446 4.272 8 2HG2 THR 1 HG22 THR 1 8.707 6.547 5.569 9 3HG2 THR 1 HG23 THR 1 8.198 8.009 4.724 10 H LEU 2 HN LEU 2 7.052 5.049 9.406 11 HA LEU 2 HA LEU 2 8.379 2.774 8.532 12 1HB LEU 2 HB2 LEU 2 7.507 2.845 10.735 13 2HB LEU 2 HB1 LEU 2 5.878 3.213 10.168 14 HG LEU 2 HG LEU 2 7.052 0.664 9.197 15 1HD1 LEU 2 HD11 LEU 2 6.051 -0.272 11.496 16 2HD1 LEU 2 HD12 LEU 2 6.593 1.302 12.078 17 3HD1 LEU 2 HD13 LEU 2 7.747 0.188 11.345 18 1HD2 LEU 2 HD21 LEU 2 4.444 1.908 9.718 19 2HD2 LEU 2 HD22 LEU 2 4.532 0.232 10.262 20 3HD2 LEU 2 HD23 LEU 2 4.870 0.631 8.578 21 H ALA 3 HN ALA 3 8.157 1.748 6.575 22 HA ALA 3 HA ALA 3 5.582 0.654 5.757 23 1HB ALA 3 HB1 ALA 3 6.452 2.340 3.575 24 2HB ALA 3 HB2 ALA 3 6.240 3.309 5.033 25 3HB ALA 3 HB3 ALA 3 4.902 2.339 4.416 26 H VAL 4 HN VAL 4 5.887 -0.244 3.369 27 HA VAL 4 HA VAL 4 8.539 -1.602 3.317 28 HB VAL 4 HB VAL 4 7.372 -3.268 2.043 29 1HG1 VAL 4 HG11 VAL 4 6.173 -3.971 3.814 30 2HG1 VAL 4 HG12 VAL 4 4.988 -2.684 3.589 31 3HG1 VAL 4 HG13 VAL 4 6.443 -2.387 4.542 32 1HG2 VAL 4 HG21 VAL 4 5.570 -0.969 1.440 33 2HG2 VAL 4 HG22 VAL 4 4.827 -2.567 1.522 34 3HG2 VAL 4 HG23 VAL 4 6.136 -2.261 0.381 35 HA PRO 5 HA PRO 5 9.842 0.496 -0.313 36 1HB PRO 5 HB2 PRO 5 10.992 -1.504 -1.786 37 2HB PRO 5 HB1 PRO 5 11.730 -0.841 -0.315 38 1HG PRO 5 HG2 PRO 5 10.194 -3.360 -0.690 39 2HG PRO 5 HG1 PRO 5 11.610 -3.041 0.321 40 1HD PRO 5 HD2 PRO 5 9.059 -3.189 1.285 41 2HD PRO 5 HD1 PRO 5 10.352 -2.247 2.057 42 H GLY 6 HN GLY 6 7.436 0.739 -0.879 43 1HA GLY 6 HA2 GLY 6 6.761 0.605 -3.470 44 2HA GLY 6 HA1 GLY 6 6.481 -1.075 -3.010 45 H MET 7 HN MET 7 4.394 -1.474 -2.492 46 HA MET 7 HA MET 7 2.918 0.189 -0.613 47 1HB MET 7 HB2 MET 7 2.941 0.883 -3.378 48 2HB MET 7 HB1 MET 7 1.338 0.243 -3.015 49 1HG MET 7 HG2 MET 7 0.834 2.243 -2.107 50 2HG MET 7 HG1 MET 7 1.987 1.878 -0.823 51 1HE MET 7 HE1 MET 7 2.186 5.593 -2.404 52 2HE MET 7 HE2 MET 7 2.282 4.887 -0.793 53 3HE MET 7 HE3 MET 7 0.937 4.470 -1.850 54 H THR 8 HN THR 8 0.312 -0.575 -1.250 55 HA THR 8 HA THR 8 -1.121 -2.431 -0.934 56 HB THR 8 HB THR 8 0.904 -3.257 -3.021 57 HG1 THR 8 HG1 THR 8 -0.473 -1.747 -3.765 58 1HG2 THR 8 HG21 THR 8 -0.534 -5.162 -3.567 59 2HG2 THR 8 HG22 THR 8 -1.608 -4.756 -2.230 60 3HG2 THR 8 HG23 THR 8 0.038 -5.296 -1.904 61 H CYS 9 HN CYS 9 -0.710 -3.057 1.243 62 HA CYS 9 HA CYS 9 0.775 -5.548 1.581 63 1HB CYS 9 HB2 CYS 9 2.326 -4.546 3.242 64 2HB CYS 9 HB1 CYS 9 2.577 -3.917 1.620 65 H ALA 10 HN ALA 10 -1.787 -5.623 2.090 66 HA ALA 10 HA ALA 10 -3.477 -5.723 3.774 67 1HB ALA 10 HB1 ALA 10 -1.621 -7.381 4.433 68 2HB ALA 10 HB2 ALA 10 -2.652 -6.833 5.754 69 3HB ALA 10 HB3 ALA 10 -1.044 -6.140 5.546 70 H ALA 11 HN ALA 11 -2.052 -3.220 3.126 71 HA ALA 11 HA ALA 11 -2.688 -1.620 5.552 72 1HB ALA 11 HB1 ALA 11 -0.175 -2.399 4.845 73 2HB ALA 11 HB2 ALA 11 -0.507 -0.871 5.653 74 3HB ALA 11 HB3 ALA 11 -0.316 -0.919 3.902 75 H CYS 12 HN CYS 12 -1.377 -1.191 2.221 76 HA CYS 12 HA CYS 12 -3.708 0.617 1.653 77 1HB CYS 12 HB2 CYS 12 -2.246 2.325 0.870 78 2HB CYS 12 HB1 CYS 12 -1.543 1.780 2.391 79 HA PRO 13 HA PRO 13 -2.656 -2.162 -1.945 80 1HB PRO 13 HB2 PRO 13 -4.501 -4.146 -1.541 81 2HB PRO 13 HB1 PRO 13 -2.840 -4.267 -0.928 82 1HG PRO 13 HG2 PRO 13 -5.340 -3.572 0.516 83 2HG PRO 13 HG1 PRO 13 -3.937 -4.503 1.064 84 1HD PRO 13 HD2 PRO 13 -4.405 -1.885 1.741 85 2HD PRO 13 HD1 PRO 13 -2.802 -2.639 1.714 86 H ILE 14 HN ILE 14 -5.091 -0.638 -0.184 87 HA ILE 14 HA ILE 14 -7.140 -0.680 -2.242 88 HB ILE 14 HB ILE 14 -8.501 0.291 -0.552 89 1HG1 ILE 14 HG12 ILE 14 -5.928 1.069 0.862 90 2HG1 ILE 14 HG11 ILE 14 -6.936 2.172 -0.077 91 1HG2 ILE 14 HG21 ILE 14 -6.400 -1.308 0.947 92 2HG2 ILE 14 HG22 ILE 14 -7.704 -2.020 -0.002 93 3HG2 ILE 14 HG23 ILE 14 -8.078 -1.064 1.432 94 1HD1 ILE 14 HD11 ILE 14 -8.735 2.013 1.453 95 2HD1 ILE 14 HD12 ILE 14 -7.304 2.126 2.478 96 3HD1 ILE 14 HD13 ILE 14 -8.075 0.562 2.208 97 H THR 15 HN THR 15 -4.560 1.228 -1.114 98 HA THR 15 HA THR 15 -5.341 3.779 -2.258 99 HB THR 15 HB THR 15 -3.102 2.402 -0.899 100 HG1 THR 15 HG1 THR 15 -3.885 3.751 0.485 101 1HG2 THR 15 HG21 THR 15 -1.611 3.183 -2.499 102 2HG2 THR 15 HG22 THR 15 -1.700 4.602 -1.455 103 3HG2 THR 15 HG23 THR 15 -2.640 4.544 -2.946 104 H VAL 16 HN VAL 16 -2.580 1.694 -3.099 105 HA VAL 16 HA VAL 16 -2.819 2.495 -5.945 106 HB VAL 16 HB VAL 16 -0.811 0.920 -4.297 107 1HG1 VAL 16 HG11 VAL 16 -1.209 1.080 -7.199 108 2HG1 VAL 16 HG12 VAL 16 -0.203 -0.026 -6.263 109 3HG1 VAL 16 HG13 VAL 16 0.408 1.570 -6.696 110 1HG2 VAL 16 HG21 VAL 16 0.465 3.072 -5.436 111 2HG2 VAL 16 HG22 VAL 16 -0.210 3.061 -3.807 112 3HG2 VAL 16 HG23 VAL 16 -1.147 3.725 -5.145 113 H LYS 17 HN LYS 17 -4.839 0.769 -4.612 114 HA LYS 17 HA LYS 17 -4.595 -1.959 -5.058 115 1HB LYS 17 HB2 LYS 17 -6.480 -0.529 -4.034 116 2HB LYS 17 HB1 LYS 17 -7.081 -0.382 -5.686 117 1HG LYS 17 HG2 LYS 17 -7.140 -2.861 -5.862 118 2HG LYS 17 HG1 LYS 17 -6.617 -2.973 -4.181 119 1HD LYS 17 HD2 LYS 17 -8.778 -1.208 -4.100 120 2HD LYS 17 HD1 LYS 17 -9.275 -2.447 -5.252 121 1HE LYS 17 HE2 LYS 17 -8.117 -3.963 -3.255 122 2HE LYS 17 HE1 LYS 17 -8.898 -2.661 -2.338 123 1HZ LYS 17 HZ1 LYS 17 -10.450 -3.667 -4.560 124 2HZ LYS 17 HZ2 LYS 17 -10.933 -3.315 -2.970 125 3HZ LYS 17 HZ3 LYS 17 -10.196 -4.803 -3.328 126 H LYS 18 HN LYS 18 -4.759 0.545 -7.325 127 HA LYS 18 HA LYS 18 -4.539 -1.368 -9.574 128 1HB LYS 18 HB2 LYS 18 -6.442 -0.281 -10.740 129 2HB LYS 18 HB1 LYS 18 -6.955 -1.004 -9.215 130 1HG LYS 18 HG2 LYS 18 -6.723 1.216 -8.115 131 2HG LYS 18 HG1 LYS 18 -6.305 1.921 -9.677 132 1HD LYS 18 HD2 LYS 18 -8.465 1.984 -10.333 133 2HD LYS 18 HD1 LYS 18 -8.743 0.322 -9.814 134 1HE LYS 18 HE2 LYS 18 -10.121 1.424 -8.301 135 2HE LYS 18 HE1 LYS 18 -8.602 1.482 -7.386 136 1HZ LYS 18 HZ1 LYS 18 -9.987 3.606 -8.796 137 2HZ LYS 18 HZ2 LYS 18 -8.306 3.563 -9.038 138 3HZ LYS 18 HZ3 LYS 18 -8.938 3.695 -7.467 Start of MODEL 8 1 1H THR 1 HT1 THR 1 6.815 -1.280 7.047 2 2H THR 1 HT2 THR 1 7.433 -1.598 8.597 3 3H THR 1 HT3 THR 1 7.552 -0.038 7.936 4 HA THR 1 HA THR 1 4.921 -1.319 8.415 5 HB THR 1 HB THR 1 5.379 0.448 10.487 6 HG1 THR 1 HG1 THR 1 7.469 0.674 10.506 7 1HG2 THR 1 HG21 THR 1 5.594 -1.576 11.874 8 2HG2 THR 1 HG22 THR 1 5.941 -2.530 10.431 9 3HG2 THR 1 HG23 THR 1 4.353 -1.790 10.639 10 H LEU 2 HN LEU 2 4.201 -0.110 6.532 11 HA LEU 2 HA LEU 2 3.333 1.806 5.451 12 1HB LEU 2 HB2 LEU 2 3.009 2.000 8.303 13 2HB LEU 2 HB1 LEU 2 3.301 3.613 7.652 14 HG LEU 2 HG LEU 2 1.490 3.345 6.046 15 1HD1 LEU 2 HD11 LEU 2 0.038 1.218 6.370 16 2HD1 LEU 2 HD12 LEU 2 1.473 0.531 7.130 17 3HD1 LEU 2 HD13 LEU 2 1.534 1.063 5.450 18 1HD2 LEU 2 HD21 LEU 2 -0.401 3.226 7.604 19 2HD2 LEU 2 HD22 LEU 2 0.934 4.103 8.352 20 3HD2 LEU 2 HD23 LEU 2 0.616 2.429 8.805 21 H ALA 3 HN ALA 3 3.818 4.371 5.368 22 HA ALA 3 HA ALA 3 5.414 6.054 4.905 23 1HB ALA 3 HB1 ALA 3 6.102 4.748 7.319 24 2HB ALA 3 HB2 ALA 3 6.621 6.349 6.791 25 3HB ALA 3 HB3 ALA 3 7.608 4.935 6.420 26 H VAL 4 HN VAL 4 5.234 4.109 2.953 27 HA VAL 4 HA VAL 4 8.068 3.903 2.040 28 HB VAL 4 HB VAL 4 7.415 1.787 3.154 29 1HG1 VAL 4 HG11 VAL 4 5.155 1.912 1.143 30 2HG1 VAL 4 HG12 VAL 4 5.031 1.808 2.899 31 3HG1 VAL 4 HG13 VAL 4 5.614 0.425 1.973 32 1HG2 VAL 4 HG21 VAL 4 7.643 0.308 1.020 33 2HG2 VAL 4 HG22 VAL 4 8.955 1.420 1.406 34 3HG2 VAL 4 HG23 VAL 4 7.780 1.841 0.161 35 HA PRO 5 HA PRO 5 6.142 5.311 -1.671 36 1HB PRO 5 HB2 PRO 5 8.195 4.791 -3.404 37 2HB PRO 5 HB1 PRO 5 8.221 6.144 -2.255 38 1HG PRO 5 HG2 PRO 5 9.555 3.492 -2.084 39 2HG PRO 5 HG1 PRO 5 10.140 5.085 -1.582 40 1HD PRO 5 HD2 PRO 5 9.148 3.214 0.149 41 2HD PRO 5 HD1 PRO 5 9.110 4.964 0.455 42 H GLY 6 HN GLY 6 5.087 4.387 -3.502 43 1HA GLY 6 HA2 GLY 6 4.568 2.651 -5.068 44 2HA GLY 6 HA1 GLY 6 5.649 1.568 -4.189 45 H MET 7 HN MET 7 4.402 2.353 -1.582 46 HA MET 7 HA MET 7 2.717 1.459 -0.185 47 1HB MET 7 HB2 MET 7 1.213 2.105 -2.743 48 2HB MET 7 HB1 MET 7 0.435 1.762 -1.197 49 1HG MET 7 HG2 MET 7 1.992 3.643 -0.274 50 2HG MET 7 HG1 MET 7 2.144 4.117 -1.966 51 1HE MET 7 HE1 MET 7 1.142 6.142 -2.308 52 2HE MET 7 HE2 MET 7 -0.596 6.363 -2.492 53 3HE MET 7 HE3 MET 7 0.232 5.122 -3.431 54 H THR 8 HN THR 8 0.446 -0.124 -0.978 55 HA THR 8 HA THR 8 -0.050 -2.410 -1.351 56 HB THR 8 HB THR 8 1.827 -1.525 -3.538 57 HG1 THR 8 HG1 THR 8 -0.729 -2.517 -3.963 58 1HG2 THR 8 HG21 THR 8 0.670 -3.869 -4.467 59 2HG2 THR 8 HG22 THR 8 1.148 -4.281 -2.820 60 3HG2 THR 8 HG23 THR 8 2.350 -3.682 -3.963 61 H CYS 9 HN CYS 9 1.084 -2.965 0.734 62 HA CYS 9 HA CYS 9 3.332 -4.800 0.223 63 1HB CYS 9 HB2 CYS 9 4.682 -3.668 1.985 64 2HB CYS 9 HB1 CYS 9 4.436 -2.673 0.557 65 H ALA 10 HN ALA 10 1.028 -5.901 0.904 66 HA ALA 10 HA ALA 10 -0.191 -7.008 2.633 67 1HB ALA 10 HB1 ALA 10 1.591 -7.760 4.457 68 2HB ALA 10 HB2 ALA 10 2.746 -7.085 3.308 69 3HB ALA 10 HB3 ALA 10 1.691 -8.410 2.820 70 H ALA 11 HN ALA 11 0.210 -4.093 2.658 71 HA ALA 11 HA ALA 11 -0.359 -3.523 5.521 72 1HB ALA 11 HB1 ALA 11 1.452 -2.105 5.614 73 2HB ALA 11 HB2 ALA 11 1.237 -1.582 3.945 74 3HB ALA 11 HB3 ALA 11 2.049 -3.104 4.294 75 H CYS 12 HN CYS 12 -0.132 -2.019 2.252 76 HA CYS 12 HA CYS 12 -2.931 -1.016 2.636 77 1HB CYS 12 HB2 CYS 12 -2.282 1.236 2.310 78 2HB CYS 12 HB1 CYS 12 -1.045 0.594 3.385 79 HA PRO 13 HA PRO 13 -1.838 -2.123 -1.825 80 1HB PRO 13 HB2 PRO 13 -2.761 -4.709 -1.914 81 2HB PRO 13 HB1 PRO 13 -1.054 -4.322 -1.613 82 1HG PRO 13 HG2 PRO 13 -3.202 -5.035 0.330 83 2HG PRO 13 HG1 PRO 13 -1.506 -5.547 0.286 84 1HD PRO 13 HD2 PRO 13 -2.392 -3.611 1.958 85 2HD PRO 13 HD1 PRO 13 -0.756 -3.605 1.265 86 H ILE 14 HN ILE 14 -4.148 -2.364 0.637 87 HA ILE 14 HA ILE 14 -6.502 -2.555 -1.048 88 HB ILE 14 HB ILE 14 -6.611 -3.685 1.054 89 1HG1 ILE 14 HG12 ILE 14 -8.435 -2.509 2.212 90 2HG1 ILE 14 HG11 ILE 14 -8.028 -1.019 1.360 91 1HG2 ILE 14 HG21 ILE 14 -4.966 -2.881 2.450 92 2HG2 ILE 14 HG22 ILE 14 -6.333 -2.003 3.135 93 3HG2 ILE 14 HG23 ILE 14 -5.252 -1.201 1.994 94 1HD1 ILE 14 HD11 ILE 14 -8.969 -1.724 -0.600 95 2HD1 ILE 14 HD12 ILE 14 -9.899 -2.771 0.472 96 3HD1 ILE 14 HD13 ILE 14 -8.473 -3.398 -0.354 97 H THR 15 HN THR 15 -4.506 -0.207 0.374 98 HA THR 15 HA THR 15 -6.426 2.016 0.188 99 HB THR 15 HB THR 15 -3.733 1.334 1.173 100 HG1 THR 15 HG1 THR 15 -5.319 1.667 2.639 101 1HG2 THR 15 HG21 THR 15 -2.709 3.042 0.035 102 2HG2 THR 15 HG22 THR 15 -3.431 4.030 1.304 103 3HG2 THR 15 HG23 THR 15 -4.227 3.889 -0.263 104 H VAL 16 HN VAL 16 -3.254 1.245 -1.237 105 HA VAL 16 HA VAL 16 -3.879 2.866 -3.645 106 HB VAL 16 HB VAL 16 -1.667 2.975 -2.460 107 1HG1 VAL 16 HG11 VAL 16 -1.723 0.039 -3.138 108 2HG1 VAL 16 HG12 VAL 16 -1.336 0.809 -1.600 109 3HG1 VAL 16 HG13 VAL 16 -0.189 0.885 -2.937 110 1HG2 VAL 16 HG21 VAL 16 -0.347 2.126 -4.651 111 2HG2 VAL 16 HG22 VAL 16 -1.292 3.615 -4.639 112 3HG2 VAL 16 HG23 VAL 16 -1.986 2.136 -5.302 113 H LYS 17 HN LYS 17 -5.443 0.487 -3.078 114 HA LYS 17 HA LYS 17 -4.507 -1.815 -4.441 115 1HB LYS 17 HB2 LYS 17 -6.354 -1.654 -2.753 116 2HB LYS 17 HB1 LYS 17 -7.343 -0.874 -3.986 117 1HG LYS 17 HG2 LYS 17 -6.540 -3.067 -5.359 118 2HG LYS 17 HG1 LYS 17 -6.554 -3.722 -3.721 119 1HD LYS 17 HD2 LYS 17 -8.901 -2.190 -3.919 120 2HD LYS 17 HD1 LYS 17 -8.795 -3.070 -5.443 121 1HE LYS 17 HE2 LYS 17 -8.174 -5.101 -3.818 122 2HE LYS 17 HE1 LYS 17 -9.116 -4.134 -2.665 123 1HZ LYS 17 HZ1 LYS 17 -10.630 -5.506 -3.879 124 2HZ LYS 17 HZ2 LYS 17 -9.968 -5.026 -5.368 125 3HZ LYS 17 HZ3 LYS 17 -10.834 -3.912 -4.422 126 H LYS 18 HN LYS 18 -5.289 1.127 -5.684 127 HA LYS 18 HA LYS 18 -5.544 1.873 -7.899 128 1HB LYS 18 HB2 LYS 18 -4.184 -0.614 -7.929 129 2HB LYS 18 HB1 LYS 18 -5.364 -0.669 -9.240 130 1HG LYS 18 HG2 LYS 18 -4.344 1.884 -9.474 131 2HG LYS 18 HG1 LYS 18 -2.927 0.953 -8.989 132 1HD LYS 18 HD2 LYS 18 -3.652 -0.740 -10.800 133 2HD LYS 18 HD1 LYS 18 -4.694 0.550 -11.402 134 1HE LYS 18 HE2 LYS 18 -2.270 1.851 -11.027 135 2HE LYS 18 HE1 LYS 18 -1.787 0.260 -11.649 136 1HZ LYS 18 HZ1 LYS 18 -3.825 2.076 -12.824 137 2HZ LYS 18 HZ2 LYS 18 -3.520 0.494 -13.364 138 3HZ LYS 18 HZ3 LYS 18 -2.317 1.686 -13.495 Start of MODEL 9 1 1H THR 1 HT1 THR 1 3.895 8.621 4.595 2 2H THR 1 HT2 THR 1 4.332 8.277 6.201 3 3H THR 1 HT3 THR 1 2.919 7.604 5.538 4 HA THR 1 HA THR 1 5.738 6.906 4.948 5 HB THR 1 HB THR 1 3.217 5.577 5.960 6 HG1 THR 1 HG1 THR 1 5.085 4.908 7.464 7 1HG2 THR 1 HG21 THR 1 5.273 3.678 5.968 8 2HG2 THR 1 HG22 THR 1 5.349 4.412 4.366 9 3HG2 THR 1 HG23 THR 1 3.848 3.677 4.929 10 H LEU 2 HN LEU 2 6.198 6.379 2.847 11 HA LEU 2 HA LEU 2 3.899 5.777 1.012 12 1HB LEU 2 HB2 LEU 2 5.730 7.901 1.008 13 2HB LEU 2 HB1 LEU 2 6.311 6.811 -0.252 14 HG LEU 2 HG LEU 2 3.446 7.773 -0.018 15 1HD1 LEU 2 HD11 LEU 2 5.040 8.642 -2.324 16 2HD1 LEU 2 HD12 LEU 2 5.636 9.278 -0.790 17 3HD1 LEU 2 HD13 LEU 2 3.970 9.580 -1.281 18 1HD2 LEU 2 HD21 LEU 2 3.429 5.730 -1.201 19 2HD2 LEU 2 HD22 LEU 2 4.979 6.062 -1.974 20 3HD2 LEU 2 HD23 LEU 2 3.536 6.938 -2.482 21 H ALA 3 HN ALA 3 5.457 3.812 2.526 22 HA ALA 3 HA ALA 3 6.152 2.000 0.381 23 1HB ALA 3 HB1 ALA 3 8.232 2.840 0.024 24 2HB ALA 3 HB2 ALA 3 8.655 2.137 1.586 25 3HB ALA 3 HB3 ALA 3 8.162 3.827 1.484 26 H VAL 4 HN VAL 4 4.977 0.425 1.534 27 HA VAL 4 HA VAL 4 5.800 -0.148 4.349 28 HB VAL 4 HB VAL 4 3.668 -1.478 4.296 29 1HG1 VAL 4 HG11 VAL 4 3.660 1.428 3.469 30 2HG1 VAL 4 HG12 VAL 4 3.442 0.754 5.084 31 3HG1 VAL 4 HG13 VAL 4 2.173 0.571 3.873 32 1HG2 VAL 4 HG21 VAL 4 4.076 -1.232 1.498 33 2HG2 VAL 4 HG22 VAL 4 2.606 -0.332 1.876 34 3HG2 VAL 4 HG23 VAL 4 2.738 -2.034 2.321 35 HA PRO 5 HA PRO 5 7.837 -3.879 3.254 36 1HB PRO 5 HB2 PRO 5 6.891 -5.674 5.104 37 2HB PRO 5 HB1 PRO 5 8.052 -4.390 5.501 38 1HG PRO 5 HG2 PRO 5 5.097 -4.460 5.913 39 2HG PRO 5 HG1 PRO 5 6.372 -3.868 6.992 40 1HD PRO 5 HD2 PRO 5 4.856 -2.201 5.508 41 2HD PRO 5 HD1 PRO 5 6.556 -1.850 5.891 42 H GLY 6 HN GLY 6 5.980 -3.527 1.411 43 1HA GLY 6 HA2 GLY 6 5.324 -5.864 0.209 44 2HA GLY 6 HA1 GLY 6 4.010 -5.710 1.378 45 H MET 7 HN MET 7 2.437 -5.392 -0.300 46 HA MET 7 HA MET 7 1.894 -2.679 -0.993 47 1HB MET 7 HB2 MET 7 2.440 -2.973 -3.493 48 2HB MET 7 HB1 MET 7 3.818 -2.771 -2.409 49 1HG MET 7 HG2 MET 7 4.630 -4.784 -2.996 50 2HG MET 7 HG1 MET 7 3.109 -5.561 -2.552 51 1HE MET 7 HE1 MET 7 5.215 -6.188 -4.405 52 2HE MET 7 HE2 MET 7 5.245 -5.469 -6.013 53 3HE MET 7 HE3 MET 7 4.329 -6.947 -5.734 54 H THR 8 HN THR 8 -0.318 -2.778 -1.204 55 HA THR 8 HA THR 8 -2.464 -3.719 -1.577 56 HB THR 8 HB THR 8 -0.797 -4.389 -4.013 57 HG1 THR 8 HG1 THR 8 -2.780 -2.424 -3.520 58 1HG2 THR 8 HG21 THR 8 -3.353 -5.430 -3.339 59 2HG2 THR 8 HG22 THR 8 -2.506 -5.560 -4.881 60 3HG2 THR 8 HG23 THR 8 -3.603 -4.210 -4.588 61 H CYS 9 HN CYS 9 -2.229 -5.350 0.181 62 HA CYS 9 HA CYS 9 -2.419 -8.080 -0.877 63 1HB CYS 9 HB2 CYS 9 -0.615 -8.863 0.653 64 2HB CYS 9 HB1 CYS 9 -0.027 -7.813 -0.630 65 H ALA 10 HN ALA 10 -4.599 -7.032 0.171 66 HA ALA 10 HA ALA 10 -6.098 -7.044 2.030 67 1HB ALA 10 HB1 ALA 10 -6.310 -9.324 2.048 68 2HB ALA 10 HB2 ALA 10 -5.222 -9.281 3.436 69 3HB ALA 10 HB3 ALA 10 -4.577 -9.560 1.818 70 H ALA 11 HN ALA 11 -3.480 -5.692 2.159 71 HA ALA 11 HA ALA 11 -3.170 -5.456 5.109 72 1HB ALA 11 HB1 ALA 11 -0.953 -6.062 4.929 73 2HB ALA 11 HB2 ALA 11 -0.777 -5.285 3.357 74 3HB ALA 11 HB3 ALA 11 -1.512 -6.881 3.474 75 H CYS 12 HN CYS 12 -1.996 -4.127 1.969 76 HA CYS 12 HA CYS 12 -2.828 -1.410 2.929 77 1HB CYS 12 HB2 CYS 12 -0.656 -0.513 2.568 78 2HB CYS 12 HB1 CYS 12 -0.379 -2.029 3.423 79 HA PRO 13 HA PRO 13 -3.332 -2.093 -1.730 80 1HB PRO 13 HB2 PRO 13 -5.959 -2.900 -1.807 81 2HB PRO 13 HB1 PRO 13 -4.611 -4.059 -1.815 82 1HG PRO 13 HG2 PRO 13 -6.324 -3.169 0.462 83 2HG PRO 13 HG1 PRO 13 -5.749 -4.795 0.054 84 1HD PRO 13 HD2 PRO 13 -4.583 -3.315 1.982 85 2HD PRO 13 HD1 PRO 13 -3.658 -4.426 0.950 86 H ILE 14 HN ILE 14 -4.799 -0.942 1.113 87 HA ILE 14 HA ILE 14 -6.387 1.150 -0.150 88 HB ILE 14 HB ILE 14 -7.329 0.044 1.769 89 1HG1 ILE 14 HG12 ILE 14 -7.658 1.907 3.297 90 2HG1 ILE 14 HG11 ILE 14 -6.193 2.694 2.709 91 1HG2 ILE 14 HG21 ILE 14 -5.596 -0.969 2.928 92 2HG2 ILE 14 HG22 ILE 14 -5.903 0.410 3.984 93 3HG2 ILE 14 HG23 ILE 14 -4.563 0.458 2.838 94 1HD1 ILE 14 HD11 ILE 14 -8.595 3.360 1.760 95 2HD1 ILE 14 HD12 ILE 14 -8.290 1.981 0.703 96 3HD1 ILE 14 HD13 ILE 14 -7.171 3.344 0.720 97 H THR 15 HN THR 15 -3.353 0.638 1.327 98 HA THR 15 HA THR 15 -2.744 3.516 1.620 99 HB THR 15 HB THR 15 -1.889 0.880 2.555 100 HG1 THR 15 HG1 THR 15 -2.280 2.017 4.253 101 1HG2 THR 15 HG21 THR 15 0.200 1.070 1.550 102 2HG2 THR 15 HG22 THR 15 0.496 1.939 3.055 103 3HG2 THR 15 HG23 THR 15 0.166 2.833 1.572 104 H VAL 16 HN VAL 16 -1.103 0.717 0.121 105 HA VAL 16 HA VAL 16 0.125 2.495 -1.907 106 HB VAL 16 HB VAL 16 0.329 -0.490 -1.353 107 1HG1 VAL 16 HG11 VAL 16 2.654 0.529 -2.598 108 2HG1 VAL 16 HG12 VAL 16 1.289 1.169 -3.513 109 3HG1 VAL 16 HG13 VAL 16 1.465 -0.572 -3.294 110 1HG2 VAL 16 HG21 VAL 16 2.728 0.714 -0.670 111 2HG2 VAL 16 HG22 VAL 16 1.477 0.220 0.470 112 3HG2 VAL 16 HG23 VAL 16 1.532 1.884 -0.112 113 H LYS 17 HN LYS 17 -2.769 2.141 -1.941 114 HA LYS 17 HA LYS 17 -3.726 0.176 -3.691 115 1HB LYS 17 HB2 LYS 17 -5.653 1.579 -3.841 116 2HB LYS 17 HB1 LYS 17 -4.945 1.927 -2.263 117 1HG LYS 17 HG2 LYS 17 -3.641 3.801 -3.480 118 2HG LYS 17 HG1 LYS 17 -4.811 3.581 -4.782 119 1HD LYS 17 HD2 LYS 17 -6.067 3.732 -2.138 120 2HD LYS 17 HD1 LYS 17 -5.174 5.194 -2.559 121 1HE LYS 17 HE2 LYS 17 -6.760 5.805 -4.059 122 2HE LYS 17 HE1 LYS 17 -6.719 4.208 -4.831 123 1HZ LYS 17 HZ1 LYS 17 -7.984 4.649 -2.190 124 2HZ LYS 17 HZ2 LYS 17 -8.167 3.321 -3.234 125 3HZ LYS 17 HZ3 LYS 17 -8.854 4.822 -3.636 126 H LYS 18 HN LYS 18 -1.704 2.791 -4.324 127 HA LYS 18 HA LYS 18 -2.334 3.288 -7.100 128 1HB LYS 18 HB2 LYS 18 -0.884 4.519 -5.201 129 2HB LYS 18 HB1 LYS 18 0.422 3.657 -6.014 130 1HG LYS 18 HG2 LYS 18 0.179 5.830 -7.065 131 2HG LYS 18 HG1 LYS 18 -0.397 4.602 -8.193 132 1HD LYS 18 HD2 LYS 18 -2.694 5.073 -7.661 133 2HD LYS 18 HD1 LYS 18 -2.229 6.105 -6.308 134 1HE LYS 18 HE2 LYS 18 -1.157 6.811 -9.015 135 2HE LYS 18 HE1 LYS 18 -2.861 7.173 -8.669 136 1HZ LYS 18 HZ1 LYS 18 -1.817 7.952 -6.400 137 2HZ LYS 18 HZ2 LYS 18 -1.896 8.999 -7.735 138 3HZ LYS 18 HZ3 LYS 18 -0.445 8.196 -7.366 Start of MODEL 10 1 1H THR 1 HT1 THR 1 7.867 6.703 7.332 2 2H THR 1 HT2 THR 1 8.089 5.069 7.742 3 3H THR 1 HT3 THR 1 7.004 5.498 6.508 4 HA THR 1 HA THR 1 8.780 6.221 5.086 5 HB THR 1 HB THR 1 10.617 5.473 7.372 6 HG1 THR 1 HG1 THR 1 9.378 7.938 6.748 7 1HG2 THR 1 HG21 THR 1 10.875 6.922 4.747 8 2HG2 THR 1 HG22 THR 1 11.847 5.592 5.376 9 3HG2 THR 1 HG23 THR 1 12.029 7.212 6.048 10 H LEU 2 HN LEU 2 7.450 3.630 6.248 11 HA LEU 2 HA LEU 2 9.356 1.728 4.923 12 1HB LEU 2 HB2 LEU 2 7.615 1.369 7.384 13 2HB LEU 2 HB1 LEU 2 8.564 0.084 6.636 14 HG LEU 2 HG LEU 2 9.885 2.666 7.436 15 1HD1 LEU 2 HD11 LEU 2 10.177 1.980 9.653 16 2HD1 LEU 2 HD12 LEU 2 9.803 0.296 9.285 17 3HD1 LEU 2 HD13 LEU 2 8.510 1.494 9.341 18 1HD2 LEU 2 HD21 LEU 2 10.819 -0.216 7.228 19 2HD2 LEU 2 HD22 LEU 2 11.841 1.165 7.629 20 3HD2 LEU 2 HD23 LEU 2 11.109 1.044 6.029 21 H ALA 3 HN ALA 3 8.410 0.511 3.316 22 HA ALA 3 HA ALA 3 5.502 -0.021 3.349 23 1HB ALA 3 HB1 ALA 3 6.874 2.032 1.727 24 2HB ALA 3 HB2 ALA 3 5.171 1.904 2.166 25 3HB ALA 3 HB3 ALA 3 5.803 0.975 0.807 26 H VAL 4 HN VAL 4 5.666 -2.230 3.045 27 HA VAL 4 HA VAL 4 7.731 -3.621 1.689 28 HB VAL 4 HB VAL 4 6.108 -5.477 1.742 29 1HG1 VAL 4 HG11 VAL 4 5.746 -5.511 4.102 30 2HG1 VAL 4 HG12 VAL 4 5.667 -3.751 4.187 31 3HG1 VAL 4 HG13 VAL 4 7.205 -4.550 3.860 32 1HG2 VAL 4 HG21 VAL 4 3.929 -3.866 2.888 33 2HG2 VAL 4 HG22 VAL 4 3.859 -5.159 1.690 34 3HG2 VAL 4 HG23 VAL 4 4.249 -3.513 1.189 35 HA PRO 5 HA PRO 5 6.823 -3.126 -2.574 36 1HB PRO 5 HB2 PRO 5 7.371 -5.616 -3.568 37 2HB PRO 5 HB1 PRO 5 8.634 -4.496 -3.019 38 1HG PRO 5 HG2 PRO 5 7.453 -6.846 -1.628 39 2HG PRO 5 HG1 PRO 5 9.127 -6.268 -1.649 40 1HD PRO 5 HD2 PRO 5 7.399 -5.847 0.427 41 2HD PRO 5 HD1 PRO 5 8.771 -4.782 0.049 42 H GLY 6 HN GLY 6 4.792 -2.972 -3.450 43 1HA GLY 6 HA2 GLY 6 2.968 -4.259 -4.585 44 2HA GLY 6 HA1 GLY 6 2.975 -5.336 -3.188 45 H MET 7 HN MET 7 3.349 -2.998 -1.345 46 HA MET 7 HA MET 7 1.948 -1.595 -0.061 47 1HB MET 7 HB2 MET 7 0.886 -1.194 -2.876 48 2HB MET 7 HB1 MET 7 0.448 -0.172 -1.507 49 1HG MET 7 HG2 MET 7 2.242 1.059 -2.209 50 2HG MET 7 HG1 MET 7 3.148 -0.130 -1.274 51 1HE MET 7 HE1 MET 7 5.603 -1.229 -3.295 52 2HE MET 7 HE2 MET 7 5.020 -0.252 -1.949 53 3HE MET 7 HE3 MET 7 5.476 0.528 -3.461 54 H THR 8 HN THR 8 -0.849 -1.059 -0.495 55 HA THR 8 HA THR 8 -2.939 -2.023 0.048 56 HB THR 8 HB THR 8 -1.561 -4.025 -1.747 57 HG1 THR 8 HG1 THR 8 -2.233 -2.375 -2.925 58 1HG2 THR 8 HG21 THR 8 -3.023 -5.592 -1.035 59 2HG2 THR 8 HG22 THR 8 -4.270 -4.628 -1.826 60 3HG2 THR 8 HG23 THR 8 -3.949 -4.414 -0.105 61 H CYS 9 HN CYS 9 -2.087 -2.143 2.353 62 HA CYS 9 HA CYS 9 -2.110 -4.957 3.269 63 1HB CYS 9 HB2 CYS 9 -0.099 -4.471 4.666 64 2HB CYS 9 HB1 CYS 9 0.233 -4.459 2.940 65 H ALA 10 HN ALA 10 -4.325 -3.600 3.737 66 HA ALA 10 HA ALA 10 -5.658 -2.521 5.397 67 1HB ALA 10 HB1 ALA 10 -4.723 -4.757 6.375 68 2HB ALA 10 HB2 ALA 10 -5.371 -3.578 7.516 69 3HB ALA 10 HB3 ALA 10 -3.628 -3.725 7.295 70 H ALA 11 HN ALA 11 -3.252 -1.249 4.255 71 HA ALA 11 HA ALA 11 -2.746 0.831 6.323 72 1HB ALA 11 HB1 ALA 11 -1.047 -1.219 5.711 73 2HB ALA 11 HB2 ALA 11 -0.496 0.360 6.258 74 3HB ALA 11 HB3 ALA 11 -0.535 -0.013 4.536 75 H CYS 12 HN CYS 12 -1.868 -0.019 2.925 76 HA CYS 12 HA CYS 12 -2.971 2.657 2.105 77 1HB CYS 12 HB2 CYS 12 -0.958 3.176 0.961 78 2HB CYS 12 HB1 CYS 12 -0.421 2.496 2.495 79 HA PRO 13 HA PRO 13 -3.888 -0.798 -0.996 80 1HB PRO 13 HB2 PRO 13 -6.386 -1.568 -0.148 81 2HB PRO 13 HB1 PRO 13 -4.911 -2.428 0.342 82 1HG PRO 13 HG2 PRO 13 -6.490 -0.385 1.835 83 2HG PRO 13 HG1 PRO 13 -5.745 -1.882 2.421 84 1HD PRO 13 HD2 PRO 13 -4.612 0.540 2.814 85 2HD PRO 13 HD1 PRO 13 -3.651 -0.937 2.576 86 H ILE 14 HN ILE 14 -5.140 1.861 0.696 87 HA ILE 14 HA ILE 14 -7.147 2.624 -1.263 88 HB ILE 14 HB ILE 14 -7.757 4.255 0.356 89 1HG1 ILE 14 HG12 ILE 14 -5.037 3.802 1.628 90 2HG1 ILE 14 HG11 ILE 14 -5.440 5.170 0.590 91 1HG2 ILE 14 HG21 ILE 14 -7.909 1.755 1.047 92 2HG2 ILE 14 HG22 ILE 14 -8.084 2.971 2.312 93 3HG2 ILE 14 HG23 ILE 14 -6.553 2.118 2.115 94 1HD1 ILE 14 HD11 ILE 14 -5.651 5.777 2.974 95 2HD1 ILE 14 HD12 ILE 14 -6.821 4.478 3.200 96 3HD1 ILE 14 HD13 ILE 14 -7.214 5.848 2.162 97 H THR 15 HN THR 15 -3.885 3.176 -0.485 98 HA THR 15 HA THR 15 -3.634 5.655 -2.071 99 HB THR 15 HB THR 15 -2.246 4.061 -0.047 100 HG1 THR 15 HG1 THR 15 -2.605 6.018 0.639 101 1HG2 THR 15 HG21 THR 15 -0.735 4.988 -2.465 102 2HG2 THR 15 HG22 THR 15 -0.462 3.573 -1.449 103 3HG2 THR 15 HG23 THR 15 0.029 5.170 -0.886 104 H VAL 16 HN VAL 16 -1.978 2.496 -2.045 105 HA VAL 16 HA VAL 16 -1.518 2.691 -4.968 106 HB VAL 16 HB VAL 16 -0.709 0.719 -2.797 107 1HG1 VAL 16 HG11 VAL 16 -0.615 -0.618 -4.698 108 2HG1 VAL 16 HG12 VAL 16 0.985 0.122 -4.741 109 3HG1 VAL 16 HG13 VAL 16 -0.304 0.748 -5.769 110 1HG2 VAL 16 HG21 VAL 16 0.445 3.194 -3.936 111 2HG2 VAL 16 HG22 VAL 16 1.575 1.848 -3.790 112 3HG2 VAL 16 HG23 VAL 16 0.723 2.442 -2.365 113 H LYS 17 HN LYS 17 -4.236 2.509 -4.097 114 HA LYS 17 HA LYS 17 -5.241 -0.148 -4.030 115 1HB LYS 17 HB2 LYS 17 -6.283 2.144 -3.393 116 2HB LYS 17 HB1 LYS 17 -6.726 2.238 -5.098 117 1HG LYS 17 HG2 LYS 17 -8.020 0.211 -4.953 118 2HG LYS 17 HG1 LYS 17 -7.422 -0.117 -3.326 119 1HD LYS 17 HD2 LYS 17 -8.451 2.192 -2.721 120 2HD LYS 17 HD1 LYS 17 -9.356 2.011 -4.224 121 1HE LYS 17 HE2 LYS 17 -9.337 -0.356 -2.412 122 2HE LYS 17 HE1 LYS 17 -10.288 1.048 -1.885 123 1HZ LYS 17 HZ1 LYS 17 -11.392 1.111 -3.993 124 2HZ LYS 17 HZ2 LYS 17 -11.533 -0.467 -3.378 125 3HZ LYS 17 HZ3 LYS 17 -10.413 -0.128 -4.610 126 H LYS 18 HN LYS 18 -3.803 1.485 -6.504 127 HA LYS 18 HA LYS 18 -3.483 0.875 -8.760 128 1HB LYS 18 HB2 LYS 18 -3.902 -1.425 -7.589 129 2HB LYS 18 HB1 LYS 18 -5.495 -1.324 -8.341 130 1HG LYS 18 HG2 LYS 18 -3.810 -0.637 -10.419 131 2HG LYS 18 HG1 LYS 18 -2.885 -1.875 -9.567 132 1HD LYS 18 HD2 LYS 18 -4.326 -2.917 -11.259 133 2HD LYS 18 HD1 LYS 18 -4.858 -3.378 -9.641 134 1HE LYS 18 HE2 LYS 18 -6.914 -2.730 -10.463 135 2HE LYS 18 HE1 LYS 18 -6.335 -1.115 -10.008 136 1HZ LYS 18 HZ1 LYS 18 -6.952 -1.011 -12.287 137 2HZ LYS 18 HZ2 LYS 18 -6.100 -2.434 -12.657 138 3HZ LYS 18 HZ3 LYS 18 -5.257 -1.018 -12.241
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