NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20508 | 2fxy | 7012 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 55 HT1 GLY 55 3.084 14.356 -11.655 2 2H GLY 55 HT2 GLY 55 1.410 14.211 -11.458 3 3H GLY 55 HT3 GLY 55 2.303 12.917 -12.081 4 1HA GLY 55 HA1 GLY 55 3.107 13.897 -9.462 5 2HA GLY 55 HA2 GLY 55 1.561 13.067 -9.543 6 HA PRO 56 HA PRO 56 5.019 9.908 -9.627 7 1HB PRO 56 HB2 PRO 56 5.767 9.614 -7.071 8 2HB PRO 56 HB1 PRO 56 6.445 10.883 -8.094 9 1HG PRO 56 HG2 PRO 56 4.485 11.086 -5.890 10 2HG PRO 56 HG1 PRO 56 5.625 12.289 -6.491 11 1HD PRO 56 HD2 PRO 56 2.839 12.073 -7.085 12 2HD PRO 56 HD1 PRO 56 4.003 13.237 -7.753 13 H GLU 57 HN GLU 57 3.174 10.037 -6.599 14 HA GLU 57 HA GLU 57 2.023 8.439 -5.472 15 1HB GLU 57 HB2 GLU 57 0.569 9.399 -7.456 16 2HB GLU 57 HB1 GLU 57 0.664 7.740 -8.035 17 1HG GLU 57 HG2 GLU 57 -0.113 7.126 -5.641 18 2HG GLU 57 HG1 GLU 57 -0.632 8.809 -5.568 19 H ALA 58 HN ALA 58 4.506 7.443 -6.481 20 HA ALA 58 HA ALA 58 3.935 4.753 -7.439 21 1HB ALA 58 HB1 ALA 58 6.333 6.473 -7.270 22 2HB ALA 58 HB2 ALA 58 5.797 5.392 -8.557 23 3HB ALA 58 HB3 ALA 58 6.593 4.734 -7.127 24 H SER 59 HN SER 59 5.697 6.235 -4.715 25 HA SER 59 HA SER 59 6.147 3.863 -3.297 26 1HB SER 59 HB2 SER 59 5.720 6.474 -1.878 27 2HB SER 59 HB1 SER 59 6.901 5.207 -1.546 28 HG SER 59 HG SER 59 8.023 6.816 -2.527 29 H ALA 60 HN ALA 60 3.381 6.003 -3.422 30 HA ALA 60 HA ALA 60 2.020 5.097 -1.139 31 1HB ALA 60 HB1 ALA 60 1.291 7.108 -2.170 32 2HB ALA 60 HB2 ALA 60 -0.026 5.947 -2.333 33 3HB ALA 60 HB3 ALA 60 1.017 6.296 -3.712 34 H PHE 61 HN PHE 61 1.676 4.098 -4.545 35 HA PHE 61 HA PHE 61 -0.250 2.127 -4.168 36 1HB PHE 61 HB2 PHE 61 0.448 2.978 -6.374 37 2HB PHE 61 HB1 PHE 61 1.987 2.144 -6.203 38 HD1 PHE 61 HD1 PHE 61 -1.342 0.837 -5.247 39 HD2 PHE 61 HD2 PHE 61 1.886 0.663 -8.017 40 HE1 PHE 61 HE1 PHE 61 -2.324 -1.179 -6.260 41 HE2 PHE 61 HE2 PHE 61 0.909 -1.353 -9.034 42 HZ PHE 61 HZ PHE 61 -1.198 -2.276 -8.156 43 H THR 62 HN THR 62 3.185 2.064 -3.596 44 HA THR 62 HA THR 62 3.300 -0.800 -3.282 45 HB THR 62 HB THR 62 5.601 0.019 -2.167 46 HG1 THR 62 HG1 THR 62 5.092 2.075 -4.030 47 1HG2 THR 62 HG21 THR 62 5.870 -1.315 -4.015 48 2HG2 THR 62 HG22 THR 62 6.498 0.230 -4.590 49 3HG2 THR 62 HG23 THR 62 4.871 -0.283 -5.039 50 H LYS 63 HN LYS 63 1.889 1.498 -1.458 51 HA LYS 63 HA LYS 63 2.569 0.147 1.072 52 1HB LYS 63 HB2 LYS 63 2.785 2.841 0.488 53 2HB LYS 63 HB1 LYS 63 1.238 2.738 1.329 54 1HG LYS 63 HG2 LYS 63 3.050 3.212 2.875 55 2HG LYS 63 HG1 LYS 63 2.330 1.637 3.212 56 1HD LYS 63 HD2 LYS 63 4.574 1.545 1.333 57 2HD LYS 63 HD1 LYS 63 5.008 2.127 2.942 58 1HE LYS 63 HE2 LYS 63 3.262 -0.235 2.906 59 2HE LYS 63 HE1 LYS 63 4.868 -0.491 2.227 60 1HZ LYS 63 HZ1 LYS 63 4.090 0.148 4.973 61 2HZ LYS 63 HZ2 LYS 63 5.562 0.766 4.413 62 3HZ LYS 63 HZ3 LYS 63 5.289 -0.904 4.407 63 H LYS 64 HN LYS 64 -0.070 1.823 -0.638 64 HA LYS 64 HA LYS 64 -2.145 1.042 1.052 65 1HB LYS 64 HB2 LYS 64 -3.570 1.371 -1.052 66 2HB LYS 64 HB1 LYS 64 -2.648 2.749 -0.475 67 1HG LYS 64 HG2 LYS 64 -1.252 2.742 -2.268 68 2HG LYS 64 HG1 LYS 64 -1.377 0.998 -2.500 69 1HD LYS 64 HD2 LYS 64 -2.461 2.201 -4.324 70 2HD LYS 64 HD1 LYS 64 -3.641 1.281 -3.388 71 1HE LYS 64 HE2 LYS 64 -3.133 4.108 -2.621 72 2HE LYS 64 HE1 LYS 64 -4.064 3.800 -4.086 73 1HZ LYS 64 HZ1 LYS 64 -5.426 2.250 -2.598 74 2HZ LYS 64 HZ2 LYS 64 -5.658 3.916 -2.428 75 3HZ LYS 64 HZ3 LYS 64 -4.717 3.075 -1.302 76 H MET 65 HN MET 65 -0.610 -0.619 -1.638 77 HA MET 65 HA MET 65 -2.499 -2.689 -1.940 78 1HB MET 65 HB2 MET 65 -0.780 -2.217 -3.614 79 2HB MET 65 HB1 MET 65 0.475 -2.707 -2.485 80 1HG MET 65 HG2 MET 65 -1.656 -4.673 -3.060 81 2HG MET 65 HG1 MET 65 -0.513 -4.323 -4.355 82 1HE MET 65 HE1 MET 65 -1.537 -6.029 -1.533 83 2HE MET 65 HE2 MET 65 -0.181 -6.349 -0.452 84 3HE MET 65 HE3 MET 65 -0.501 -7.430 -1.809 85 H VAL 66 HN VAL 66 0.555 -2.563 -0.120 86 HA VAL 66 HA VAL 66 0.381 -5.122 1.024 87 HB VAL 66 HB VAL 66 1.585 -2.832 2.545 88 1HG1 VAL 66 HG11 VAL 66 1.514 -5.456 3.079 89 2HG1 VAL 66 HG12 VAL 66 2.844 -4.407 3.567 90 3HG1 VAL 66 HG13 VAL 66 2.988 -5.394 2.113 91 1HG2 VAL 66 HG21 VAL 66 3.687 -3.332 1.133 92 2HG2 VAL 66 HG22 VAL 66 2.443 -2.282 0.455 93 3HG2 VAL 66 HG23 VAL 66 2.549 -3.967 -0.055 94 H GLU 67 HN GLU 67 -1.008 -2.043 1.885 95 HA GLU 67 HA GLU 67 -2.007 -2.909 4.438 96 1HB GLU 67 HB2 GLU 67 -1.461 -0.569 4.101 97 2HB GLU 67 HB1 GLU 67 -2.584 -0.466 2.753 98 1HG GLU 67 HG2 GLU 67 -4.462 -0.706 4.196 99 2HG GLU 67 HG1 GLU 67 -3.424 -1.102 5.571 100 H ASN 68 HN ASN 68 -3.110 -2.904 1.142 101 HA ASN 68 HA ASN 68 -5.872 -3.011 1.497 102 1HB ASN 68 HB2 ASN 68 -4.210 -3.112 -0.656 103 2HB ASN 68 HB1 ASN 68 -4.787 -4.775 -0.605 104 1HD2 ASN 68 HD21 ASN 68 -5.606 -1.474 -1.172 105 2HD2 ASN 68 HD22 ASN 68 -7.201 -1.750 -1.776 106 H ALA 69 HN ALA 69 -3.427 -5.445 1.993 107 HA ALA 69 HA ALA 69 -5.437 -7.186 3.189 108 1HB ALA 69 HB1 ALA 69 -4.205 -9.144 1.979 109 2HB ALA 69 HB2 ALA 69 -3.781 -7.895 0.809 110 3HB ALA 69 HB3 ALA 69 -5.476 -8.249 1.146 111 H LYS 70 HN LYS 70 -3.415 -5.559 4.346 112 HA LYS 70 HA LYS 70 -1.056 -6.947 4.964 113 1HB LYS 70 HB2 LYS 70 -1.342 -4.543 5.366 114 2HB LYS 70 HB1 LYS 70 -2.535 -4.888 6.611 115 1HG LYS 70 HG2 LYS 70 0.099 -6.170 6.948 116 2HG LYS 70 HG1 LYS 70 0.051 -4.414 7.120 117 1HD LYS 70 HD2 LYS 70 -1.971 -6.107 8.529 118 2HD LYS 70 HD1 LYS 70 -0.347 -5.935 9.200 119 1HE LYS 70 HE2 LYS 70 -0.908 -3.358 8.682 120 2HE LYS 70 HE1 LYS 70 -2.536 -3.963 8.982 121 1HZ LYS 70 HZ1 LYS 70 -2.065 -4.428 11.150 122 2HZ LYS 70 HZ2 LYS 70 -1.040 -3.101 10.927 123 3HZ LYS 70 HZ3 LYS 70 -0.413 -4.671 10.875 124 H LYS 71 HN LYS 71 -4.280 -7.433 6.015 125 HA LYS 71 HA LYS 71 -5.216 -9.001 7.373 126 1HB LYS 71 HB2 LYS 71 -2.460 -10.084 7.934 127 2HB LYS 71 HB1 LYS 71 -3.996 -10.937 7.998 128 1HG LYS 71 HG2 LYS 71 -2.593 -9.943 5.528 129 2HG LYS 71 HG1 LYS 71 -2.770 -11.620 6.047 130 1HD LYS 71 HD2 LYS 71 -5.358 -10.822 6.013 131 2HD LYS 71 HD1 LYS 71 -4.691 -9.836 4.710 132 1HE LYS 71 HE2 LYS 71 -4.426 -12.831 4.950 133 2HE LYS 71 HE1 LYS 71 -5.569 -11.990 3.905 134 1HZ LYS 71 HZ1 LYS 71 -3.195 -12.801 3.078 135 2HZ LYS 71 HZ2 LYS 71 -2.765 -11.259 3.622 136 3HZ LYS 71 HZ3 LYS 71 -3.962 -11.434 2.441 137 H ILE 72 HN ILE 72 -4.497 -6.461 8.362 138 HA ILE 72 HA ILE 72 -4.076 -5.267 10.271 139 HB ILE 72 HB ILE 72 -5.326 -6.041 12.233 140 1HG1 ILE 72 HG12 ILE 72 -5.923 -8.536 10.631 141 2HG1 ILE 72 HG11 ILE 72 -4.740 -8.469 11.940 142 1HG2 ILE 72 HG21 ILE 72 -7.078 -6.694 9.913 143 2HG2 ILE 72 HG22 ILE 72 -6.357 -5.088 10.025 144 3HG2 ILE 72 HG23 ILE 72 -7.400 -5.678 11.319 145 1HD1 ILE 72 HD11 ILE 72 -6.592 -9.298 13.009 146 2HD1 ILE 72 HD12 ILE 72 -7.713 -8.323 12.059 147 3HD1 ILE 72 HD13 ILE 72 -6.747 -7.571 13.329 Start of MODEL 2 1 1H GLY 55 HT1 GLY 55 -0.249 12.632 -8.076 2 2H GLY 55 HT2 GLY 55 -0.947 11.168 -8.554 3 3H GLY 55 HT3 GLY 55 -1.612 12.632 -9.078 4 1HA GLY 55 HA1 GLY 55 -0.452 12.226 -10.941 5 2HA GLY 55 HA2 GLY 55 0.853 12.932 -10.000 6 HA PRO 56 HA PRO 56 2.884 9.023 -10.455 7 1HB PRO 56 HB2 PRO 56 4.918 9.356 -8.743 8 2HB PRO 56 HB1 PRO 56 4.765 10.340 -10.202 9 1HG PRO 56 HG2 PRO 56 4.287 11.073 -7.378 10 2HG PRO 56 HG1 PRO 56 4.755 12.092 -8.738 11 1HD PRO 56 HD2 PRO 56 2.143 11.743 -7.635 12 2HD PRO 56 HD1 PRO 56 2.601 12.708 -9.054 13 H GLU 57 HN GLU 57 2.951 9.886 -7.015 14 HA GLU 57 HA GLU 57 2.809 8.610 -5.144 15 1HB GLU 57 HB2 GLU 57 0.405 9.062 -6.139 16 2HB GLU 57 HB1 GLU 57 0.395 7.312 -6.324 17 1HG GLU 57 HG2 GLU 57 0.326 6.932 -4.084 18 2HG GLU 57 HG1 GLU 57 1.205 8.410 -3.694 19 H ALA 58 HN ALA 58 4.741 7.408 -6.259 20 HA ALA 58 HA ALA 58 4.111 4.641 -6.910 21 1HB ALA 58 HB1 ALA 58 6.587 6.315 -7.060 22 2HB ALA 58 HB2 ALA 58 5.747 5.444 -8.343 23 3HB ALA 58 HB3 ALA 58 6.687 4.556 -7.144 24 H SER 59 HN SER 59 6.094 6.409 -4.540 25 HA SER 59 HA SER 59 6.903 4.184 -3.045 26 1HB SER 59 HB2 SER 59 6.518 7.065 -2.204 27 2HB SER 59 HB1 SER 59 7.314 5.843 -1.213 28 HG SER 59 HG SER 59 8.164 7.035 -3.606 29 H ALA 60 HN ALA 60 3.955 6.057 -2.999 30 HA ALA 60 HA ALA 60 2.996 4.950 -0.525 31 1HB ALA 60 HB1 ALA 60 1.055 6.137 -2.400 32 2HB ALA 60 HB2 ALA 60 2.373 7.188 -1.883 33 3HB ALA 60 HB3 ALA 60 1.315 6.447 -0.683 34 H PHE 61 HN PHE 61 2.184 4.511 -3.963 35 HA PHE 61 HA PHE 61 0.176 2.615 -3.675 36 1HB PHE 61 HB2 PHE 61 0.718 3.715 -5.804 37 2HB PHE 61 HB1 PHE 61 2.225 2.812 -5.891 38 HD1 PHE 61 HD1 PHE 61 -1.089 1.532 -4.836 39 HD2 PHE 61 HD2 PHE 61 1.917 1.574 -7.850 40 HE1 PHE 61 HE1 PHE 61 -2.251 -0.288 -6.015 41 HE2 PHE 61 HE2 PHE 61 0.759 -0.246 -9.034 42 HZ PHE 61 HZ PHE 61 -1.327 -1.179 -8.117 43 H THR 62 HN THR 62 3.641 2.263 -3.481 44 HA THR 62 HA THR 62 3.577 -0.616 -3.561 45 HB THR 62 HB THR 62 5.536 0.637 -4.368 46 HG1 THR 62 HG1 THR 62 6.184 -0.884 -2.068 47 1HG2 THR 62 HG21 THR 62 5.671 1.582 -1.538 48 2HG2 THR 62 HG22 THR 62 5.820 2.503 -3.034 49 3HG2 THR 62 HG23 THR 62 7.129 1.440 -2.519 50 H LYS 63 HN LYS 63 2.509 1.484 -1.305 51 HA LYS 63 HA LYS 63 3.317 -0.250 0.936 52 1HB LYS 63 HB2 LYS 63 3.655 2.484 0.704 53 2HB LYS 63 HB1 LYS 63 2.188 2.344 1.674 54 1HG LYS 63 HG2 LYS 63 4.859 1.093 2.292 55 2HG LYS 63 HG1 LYS 63 4.149 2.499 3.088 56 1HD LYS 63 HD2 LYS 63 2.735 1.247 4.328 57 2HD LYS 63 HD1 LYS 63 2.468 0.079 3.033 58 1HE LYS 63 HE2 LYS 63 4.180 -1.248 3.695 59 2HE LYS 63 HE1 LYS 63 5.168 0.111 4.227 60 1HZ LYS 63 HZ1 LYS 63 2.803 -0.911 5.702 61 2HZ LYS 63 HZ2 LYS 63 3.894 0.269 6.229 62 3HZ LYS 63 HZ3 LYS 63 4.402 -1.335 6.056 63 H LYS 64 HN LYS 64 0.646 1.784 -0.263 64 HA LYS 64 HA LYS 64 -1.310 0.883 1.508 65 1HB LYS 64 HB2 LYS 64 -2.905 1.601 -0.340 66 2HB LYS 64 HB1 LYS 64 -1.796 2.823 0.259 67 1HG LYS 64 HG2 LYS 64 -0.550 2.833 -1.676 68 2HG LYS 64 HG1 LYS 64 -1.054 1.205 -2.133 69 1HD LYS 64 HD2 LYS 64 -2.425 2.273 -3.561 70 2HD LYS 64 HD1 LYS 64 -3.434 2.517 -2.134 71 1HE LYS 64 HE2 LYS 64 -2.567 4.704 -1.794 72 2HE LYS 64 HE1 LYS 64 -1.296 4.455 -2.990 73 1HZ LYS 64 HZ1 LYS 64 -3.454 4.033 -4.478 74 2HZ LYS 64 HZ2 LYS 64 -2.738 5.555 -4.299 75 3HZ LYS 64 HZ3 LYS 64 -4.091 5.144 -3.372 76 H MET 65 HN MET 65 -0.148 -0.458 -1.527 77 HA MET 65 HA MET 65 -2.187 -2.363 -1.913 78 1HB MET 65 HB2 MET 65 -0.603 -1.751 -3.671 79 2HB MET 65 HB1 MET 65 0.716 -2.461 -2.753 80 1HG MET 65 HG2 MET 65 -1.585 -4.210 -3.371 81 2HG MET 65 HG1 MET 65 -0.546 -3.741 -4.715 82 1HE MET 65 HE1 MET 65 -1.414 -5.774 -2.062 83 2HE MET 65 HE2 MET 65 0.013 -6.313 -1.177 84 3HE MET 65 HE3 MET 65 -0.502 -7.174 -2.628 85 H VAL 66 HN VAL 66 1.025 -2.657 -0.410 86 HA VAL 66 HA VAL 66 0.790 -5.339 0.387 87 HB VAL 66 HB VAL 66 2.276 -3.351 2.076 88 1HG1 VAL 66 HG11 VAL 66 3.262 -6.010 1.124 89 2HG1 VAL 66 HG12 VAL 66 2.114 -5.906 2.459 90 3HG1 VAL 66 HG13 VAL 66 3.686 -5.116 2.584 91 1HG2 VAL 66 HG21 VAL 66 2.920 -4.159 -0.737 92 2HG2 VAL 66 HG22 VAL 66 4.202 -3.757 0.407 93 3HG2 VAL 66 HG23 VAL 66 2.972 -2.559 0.004 94 H GLU 67 HN GLU 67 -0.305 -2.344 1.798 95 HA GLU 67 HA GLU 67 -1.121 -3.509 4.295 96 1HB GLU 67 HB2 GLU 67 -0.457 -1.177 4.225 97 2HB GLU 67 HB1 GLU 67 -1.689 -0.827 3.024 98 1HG GLU 67 HG2 GLU 67 -3.437 -1.141 4.594 99 2HG GLU 67 HG1 GLU 67 -2.327 -1.827 5.786 100 H ASN 68 HN ASN 68 -2.518 -2.987 1.158 101 HA ASN 68 HA ASN 68 -5.239 -3.009 1.788 102 1HB ASN 68 HB2 ASN 68 -3.805 -2.837 -0.520 103 2HB ASN 68 HB1 ASN 68 -4.476 -4.459 -0.666 104 1HD2 ASN 68 HD21 ASN 68 -5.136 -1.079 -0.644 105 2HD2 ASN 68 HD22 ASN 68 -6.799 -1.181 -1.101 106 H ALA 69 HN ALA 69 -2.908 -5.598 1.653 107 HA ALA 69 HA ALA 69 -5.018 -7.465 2.503 108 1HB ALA 69 HB1 ALA 69 -4.454 -9.064 0.998 109 2HB ALA 69 HB2 ALA 69 -2.758 -8.582 0.952 110 3HB ALA 69 HB3 ALA 69 -3.963 -7.655 0.058 111 H LYS 70 HN LYS 70 -3.282 -5.960 4.176 112 HA LYS 70 HA LYS 70 -1.263 -7.862 5.084 113 1HB LYS 70 HB2 LYS 70 -0.810 -5.378 4.869 114 2HB LYS 70 HB1 LYS 70 -1.876 -5.148 6.248 115 1HG LYS 70 HG2 LYS 70 0.239 -7.140 6.651 116 2HG LYS 70 HG1 LYS 70 0.807 -5.488 6.404 117 1HD LYS 70 HD2 LYS 70 -1.447 -5.930 8.293 118 2HD LYS 70 HD1 LYS 70 0.174 -6.400 8.808 119 1HE LYS 70 HE2 LYS 70 -0.035 -3.746 7.554 120 2HE LYS 70 HE1 LYS 70 -0.863 -3.916 9.101 121 1HZ LYS 70 HZ1 LYS 70 1.069 -4.132 10.213 122 2HZ LYS 70 HZ2 LYS 70 1.704 -3.297 8.886 123 3HZ LYS 70 HZ3 LYS 70 1.839 -4.981 8.968 124 H LYS 71 HN LYS 71 -4.489 -7.392 5.599 125 HA LYS 71 HA LYS 71 -5.952 -8.220 7.131 126 1HB LYS 71 HB2 LYS 71 -3.590 -9.401 8.591 127 2HB LYS 71 HB1 LYS 71 -5.265 -9.932 8.648 128 1HG LYS 71 HG2 LYS 71 -3.396 -10.138 6.298 129 2HG LYS 71 HG1 LYS 71 -3.966 -11.460 7.318 130 1HD LYS 71 HD2 LYS 71 -6.310 -10.822 6.604 131 2HD LYS 71 HD1 LYS 71 -5.559 -9.777 5.397 132 1HE LYS 71 HE2 LYS 71 -4.345 -11.764 4.523 133 2HE LYS 71 HE1 LYS 71 -5.256 -12.766 5.652 134 1HZ LYS 71 HZ1 LYS 71 -7.240 -12.346 4.534 135 2HZ LYS 71 HZ2 LYS 71 -6.123 -12.570 3.285 136 3HZ LYS 71 HZ3 LYS 71 -6.618 -11.009 3.705 137 H ILE 72 HN ILE 72 -5.584 -5.689 7.468 138 HA ILE 72 HA ILE 72 -5.696 -5.320 10.338 139 HB ILE 72 HB ILE 72 -4.130 -3.372 10.285 140 1HG1 ILE 72 HG12 ILE 72 -2.736 -4.454 7.912 141 2HG1 ILE 72 HG11 ILE 72 -4.249 -3.606 7.580 142 1HG2 ILE 72 HG21 ILE 72 -2.100 -4.722 10.446 143 2HG2 ILE 72 HG22 ILE 72 -2.920 -6.056 9.635 144 3HG2 ILE 72 HG23 ILE 72 -3.466 -5.522 11.225 145 1HD1 ILE 72 HD11 ILE 72 -3.266 -1.644 7.848 146 2HD1 ILE 72 HD12 ILE 72 -1.726 -2.494 7.974 147 3HD1 ILE 72 HD13 ILE 72 -2.642 -2.109 9.431 Start of MODEL 3 1 1H GLY 55 HT1 GLY 55 3.075 13.883 -7.358 2 2H GLY 55 HT2 GLY 55 1.716 14.637 -8.026 3 3H GLY 55 HT3 GLY 55 3.249 14.920 -8.684 4 1HA GLY 55 HA1 GLY 55 1.437 12.692 -9.083 5 2HA GLY 55 HA2 GLY 55 2.618 13.387 -10.183 6 HA PRO 56 HA PRO 56 5.037 10.200 -7.655 7 1HB PRO 56 HB2 PRO 56 3.962 9.025 -5.499 8 2HB PRO 56 HB1 PRO 56 4.619 10.663 -5.430 9 1HG PRO 56 HG2 PRO 56 1.804 9.761 -5.420 10 2HG PRO 56 HG1 PRO 56 2.514 11.228 -4.748 11 1HD PRO 56 HD2 PRO 56 1.140 10.934 -7.235 12 2HD PRO 56 HD1 PRO 56 1.924 12.394 -6.596 13 H GLU 57 HN GLU 57 1.784 8.924 -7.039 14 HA GLU 57 HA GLU 57 0.866 6.890 -7.450 15 1HB GLU 57 HB2 GLU 57 0.855 8.368 -9.639 16 2HB GLU 57 HB1 GLU 57 1.901 7.088 -10.241 17 1HG GLU 57 HG2 GLU 57 0.221 5.620 -10.413 18 2HG GLU 57 HG1 GLU 57 -0.521 6.138 -8.901 19 H ALA 58 HN ALA 58 3.588 6.712 -6.494 20 HA ALA 58 HA ALA 58 4.240 4.064 -7.577 21 1HB ALA 58 HB1 ALA 58 5.889 5.232 -8.682 22 2HB ALA 58 HB2 ALA 58 6.715 4.796 -7.186 23 3HB ALA 58 HB3 ALA 58 6.061 6.421 -7.392 24 H SER 59 HN SER 59 5.484 6.323 -5.108 25 HA SER 59 HA SER 59 6.180 4.342 -3.255 26 1HB SER 59 HB2 SER 59 6.659 6.975 -3.392 27 2HB SER 59 HB1 SER 59 5.341 7.002 -2.220 28 HG SER 59 HG SER 59 7.896 5.870 -2.012 29 H ALA 60 HN ALA 60 3.156 5.979 -3.870 30 HA ALA 60 HA ALA 60 1.876 5.138 -1.452 31 1HB ALA 60 HB1 ALA 60 0.690 6.156 -4.033 32 2HB ALA 60 HB2 ALA 60 1.126 7.130 -2.629 33 3HB ALA 60 HB3 ALA 60 -0.181 5.951 -2.513 34 H PHE 61 HN PHE 61 1.874 4.000 -4.810 35 HA PHE 61 HA PHE 61 -0.046 1.981 -4.518 36 1HB PHE 61 HB2 PHE 61 0.761 2.777 -6.700 37 2HB PHE 61 HB1 PHE 61 2.333 2.055 -6.385 38 HD1 PHE 61 HD1 PHE 61 -1.003 0.602 -5.672 39 HD2 PHE 61 HD2 PHE 61 2.498 0.470 -8.089 40 HE1 PHE 61 HE1 PHE 61 -1.777 -1.510 -6.671 41 HE2 PHE 61 HE2 PHE 61 1.730 -1.642 -9.092 42 HZ PHE 61 HZ PHE 61 -0.410 -2.634 -8.383 43 H THR 62 HN THR 62 3.356 2.075 -3.747 44 HA THR 62 HA THR 62 3.515 -0.769 -3.261 45 HB THR 62 HB THR 62 5.486 0.383 -4.093 46 HG1 THR 62 HG1 THR 62 6.729 -0.805 -2.896 47 1HG2 THR 62 HG21 THR 62 6.748 1.930 -2.648 48 2HG2 THR 62 HG22 THR 62 5.365 1.991 -1.554 49 3HG2 THR 62 HG23 THR 62 5.211 2.593 -3.205 50 H LYS 63 HN LYS 63 1.945 1.540 -1.652 51 HA LYS 63 HA LYS 63 2.628 0.429 0.992 52 1HB LYS 63 HB2 LYS 63 2.608 3.117 0.153 53 2HB LYS 63 HB1 LYS 63 1.175 2.916 1.162 54 1HG LYS 63 HG2 LYS 63 3.823 1.901 2.105 55 2HG LYS 63 HG1 LYS 63 3.427 3.616 2.238 56 1HD LYS 63 HD2 LYS 63 2.577 2.966 4.232 57 2HD LYS 63 HD1 LYS 63 1.175 2.551 3.244 58 1HE LYS 63 HE2 LYS 63 1.443 0.586 4.374 59 2HE LYS 63 HE1 LYS 63 2.476 0.269 2.981 60 1HZ LYS 63 HZ1 LYS 63 3.563 -0.328 5.056 61 2HZ LYS 63 HZ2 LYS 63 3.404 1.257 5.625 62 3HZ LYS 63 HZ3 LYS 63 4.391 0.934 4.290 63 H LYS 64 HN LYS 64 -0.046 1.913 -0.844 64 HA LYS 64 HA LYS 64 -2.123 1.125 0.824 65 1HB LYS 64 HB2 LYS 64 -3.581 1.536 -1.063 66 2HB LYS 64 HB1 LYS 64 -2.327 2.763 -1.016 67 1HG LYS 64 HG2 LYS 64 -1.106 1.574 -2.773 68 2HG LYS 64 HG1 LYS 64 -2.384 0.358 -2.828 69 1HD LYS 64 HD2 LYS 64 -2.854 1.838 -4.599 70 2HD LYS 64 HD1 LYS 64 -3.979 2.279 -3.313 71 1HE LYS 64 HE2 LYS 64 -1.918 3.892 -2.699 72 2HE LYS 64 HE1 LYS 64 -1.698 3.777 -4.445 73 1HZ LYS 64 HZ1 LYS 64 -4.169 4.337 -4.559 74 2HZ LYS 64 HZ2 LYS 64 -3.103 5.587 -4.159 75 3HZ LYS 64 HZ3 LYS 64 -4.014 4.835 -2.949 76 H MET 65 HN MET 65 -0.547 -0.591 -1.829 77 HA MET 65 HA MET 65 -2.315 -2.758 -2.016 78 1HB MET 65 HB2 MET 65 -0.603 -2.314 -3.694 79 2HB MET 65 HB1 MET 65 0.664 -2.666 -2.527 80 1HG MET 65 HG2 MET 65 -1.369 -4.762 -3.050 81 2HG MET 65 HG1 MET 65 -0.160 -4.447 -4.294 82 1HE MET 65 HE1 MET 65 -1.292 -6.059 -1.463 83 2HE MET 65 HE2 MET 65 0.020 -6.395 -0.333 84 3HE MET 65 HE3 MET 65 -0.222 -7.433 -1.738 85 H VAL 66 HN VAL 66 0.684 -2.398 -0.137 86 HA VAL 66 HA VAL 66 0.624 -4.911 1.112 87 HB VAL 66 HB VAL 66 1.644 -2.491 2.566 88 1HG1 VAL 66 HG11 VAL 66 3.366 -4.019 3.316 89 2HG1 VAL 66 HG12 VAL 66 2.741 -5.282 2.256 90 3HG1 VAL 66 HG13 VAL 66 1.773 -4.713 3.616 91 1HG2 VAL 66 HG21 VAL 66 3.814 -2.923 1.237 92 2HG2 VAL 66 HG22 VAL 66 2.531 -1.977 0.480 93 3HG2 VAL 66 HG23 VAL 66 2.751 -3.672 0.045 94 H GLU 67 HN GLU 67 -0.980 -1.894 1.800 95 HA GLU 67 HA GLU 67 -1.999 -2.723 4.360 96 1HB GLU 67 HB2 GLU 67 -1.573 -0.369 3.957 97 2HB GLU 67 HB1 GLU 67 -2.656 -0.375 2.573 98 1HG GLU 67 HG2 GLU 67 -3.882 -1.255 5.087 99 2HG GLU 67 HG1 GLU 67 -3.330 0.424 5.074 100 H ASN 68 HN ASN 68 -3.000 -2.900 1.038 101 HA ASN 68 HA ASN 68 -5.762 -3.146 1.320 102 1HB ASN 68 HB2 ASN 68 -3.936 -3.349 -0.763 103 2HB ASN 68 HB1 ASN 68 -4.671 -4.947 -0.697 104 1HD2 ASN 68 HD21 ASN 68 -5.236 -1.547 -1.184 105 2HD2 ASN 68 HD22 ASN 68 -6.792 -1.707 -1.917 106 H ALA 69 HN ALA 69 -3.203 -5.419 1.981 107 HA ALA 69 HA ALA 69 -5.151 -7.226 3.181 108 1HB ALA 69 HB1 ALA 69 -4.056 -9.198 2.105 109 2HB ALA 69 HB2 ALA 69 -3.204 -8.076 1.044 110 3HB ALA 69 HB3 ALA 69 -4.964 -8.172 0.996 111 H LYS 70 HN LYS 70 -3.259 -5.445 4.333 112 HA LYS 70 HA LYS 70 -0.847 -6.674 5.074 113 1HB LYS 70 HB2 LYS 70 -1.280 -4.278 5.378 114 2HB LYS 70 HB1 LYS 70 -2.492 -4.645 6.598 115 1HG LYS 70 HG2 LYS 70 -0.952 -5.094 8.194 116 2HG LYS 70 HG1 LYS 70 0.218 -5.740 7.041 117 1HD LYS 70 HD2 LYS 70 1.287 -3.796 7.501 118 2HD LYS 70 HD1 LYS 70 0.198 -3.176 6.259 119 1HE LYS 70 HE2 LYS 70 -0.094 -1.644 7.962 120 2HE LYS 70 HE1 LYS 70 -1.420 -2.770 8.249 121 1HZ LYS 70 HZ1 LYS 70 1.087 -3.377 9.588 122 2HZ LYS 70 HZ2 LYS 70 -0.502 -3.504 10.154 123 3HZ LYS 70 HZ3 LYS 70 0.272 -2.000 10.139 124 H LYS 71 HN LYS 71 -4.072 -7.303 6.048 125 HA LYS 71 HA LYS 71 -4.961 -8.876 7.432 126 1HB LYS 71 HB2 LYS 71 -2.168 -9.774 8.122 127 2HB LYS 71 HB1 LYS 71 -3.654 -10.713 8.170 128 1HG LYS 71 HG2 LYS 71 -2.226 -9.728 5.710 129 2HG LYS 71 HG1 LYS 71 -2.323 -11.393 6.287 130 1HD LYS 71 HD2 LYS 71 -4.939 -10.822 6.138 131 2HD LYS 71 HD1 LYS 71 -4.336 -9.747 4.876 132 1HE LYS 71 HE2 LYS 71 -4.979 -11.940 3.984 133 2HE LYS 71 HE1 LYS 71 -3.260 -11.615 3.762 134 1HZ LYS 71 HZ1 LYS 71 -4.140 -13.091 6.144 135 2HZ LYS 71 HZ2 LYS 71 -2.671 -13.177 5.310 136 3HZ LYS 71 HZ3 LYS 71 -4.054 -13.903 4.662 137 H ILE 72 HN ILE 72 -4.440 -6.266 8.353 138 HA ILE 72 HA ILE 72 -3.216 -6.203 10.897 139 HB ILE 72 HB ILE 72 -4.456 -4.088 11.237 140 1HG1 ILE 72 HG12 ILE 72 -5.672 -4.699 8.532 141 2HG1 ILE 72 HG11 ILE 72 -6.535 -4.781 10.070 142 1HG2 ILE 72 HG21 ILE 72 -2.821 -4.661 8.836 143 2HG2 ILE 72 HG22 ILE 72 -2.504 -3.585 10.196 144 3HG2 ILE 72 HG23 ILE 72 -3.611 -3.087 8.917 145 1HD1 ILE 72 HD11 ILE 72 -7.132 -2.722 9.168 146 2HD1 ILE 72 HD12 ILE 72 -5.488 -2.375 8.630 147 3HD1 ILE 72 HD13 ILE 72 -5.882 -2.327 10.348 Start of MODEL 4 1 1H GLY 55 HT1 GLY 55 1.157 12.965 -10.409 2 2H GLY 55 HT2 GLY 55 2.111 14.029 -9.505 3 3H GLY 55 HT3 GLY 55 2.033 12.394 -9.079 4 1HA GLY 55 HA1 GLY 55 2.901 12.910 -11.793 5 2HA GLY 55 HA2 GLY 55 3.998 13.474 -10.541 6 HA PRO 56 HA PRO 56 5.246 9.259 -9.996 7 1HB PRO 56 HB2 PRO 56 6.025 9.180 -7.434 8 2HB PRO 56 HB1 PRO 56 6.837 10.208 -8.617 9 1HG PRO 56 HG2 PRO 56 4.991 10.950 -6.430 10 2HG PRO 56 HG1 PRO 56 6.265 11.900 -7.194 11 1HD PRO 56 HD2 PRO 56 3.459 12.001 -7.719 12 2HD PRO 56 HD1 PRO 56 4.749 12.901 -8.543 13 H GLU 57 HN GLU 57 3.529 10.014 -6.985 14 HA GLU 57 HA GLU 57 2.206 8.740 -5.651 15 1HB GLU 57 HB2 GLU 57 0.836 9.642 -7.720 16 2HB GLU 57 HB1 GLU 57 0.687 7.928 -8.087 17 1HG GLU 57 HG2 GLU 57 -0.117 7.693 -5.657 18 2HG GLU 57 HG1 GLU 57 -0.343 9.441 -5.721 19 H ALA 58 HN ALA 58 4.502 7.295 -6.626 20 HA ALA 58 HA ALA 58 3.492 4.598 -7.118 21 1HB ALA 58 HB1 ALA 58 5.275 5.100 -8.550 22 2HB ALA 58 HB2 ALA 58 5.991 4.088 -7.296 23 3HB ALA 58 HB3 ALA 58 6.223 5.836 -7.258 24 H SER 59 HN SER 59 5.308 6.445 -4.721 25 HA SER 59 HA SER 59 6.024 4.330 -3.030 26 1HB SER 59 HB2 SER 59 5.574 7.270 -2.561 27 2HB SER 59 HB1 SER 59 6.006 6.189 -1.236 28 HG SER 59 HG SER 59 7.592 7.275 -3.099 29 H ALA 60 HN ALA 60 3.031 6.096 -3.392 30 HA ALA 60 HA ALA 60 1.840 5.146 -0.970 31 1HB ALA 60 HB1 ALA 60 1.256 7.196 -2.577 32 2HB ALA 60 HB2 ALA 60 0.069 6.459 -1.500 33 3HB ALA 60 HB3 ALA 60 0.108 6.014 -3.206 34 H PHE 61 HN PHE 61 1.637 4.218 -4.386 35 HA PHE 61 HA PHE 61 -0.333 2.246 -4.123 36 1HB PHE 61 HB2 PHE 61 0.401 3.151 -6.289 37 2HB PHE 61 HB1 PHE 61 1.959 2.356 -6.095 38 HD1 PHE 61 HD1 PHE 61 -1.389 0.973 -5.305 39 HD2 PHE 61 HD2 PHE 61 1.981 0.879 -7.902 40 HE1 PHE 61 HE1 PHE 61 -2.286 -1.044 -6.389 41 HE2 PHE 61 HE2 PHE 61 1.090 -1.138 -8.992 42 HZ PHE 61 HZ PHE 61 -1.047 -2.103 -8.236 43 H THR 62 HN THR 62 3.103 2.186 -3.513 44 HA THR 62 HA THR 62 3.188 -0.687 -3.208 45 HB THR 62 HB THR 62 5.158 0.451 -4.059 46 HG1 THR 62 HG1 THR 62 5.599 -1.366 -2.830 47 1HG2 THR 62 HG21 THR 62 4.999 2.613 -3.039 48 2HG2 THR 62 HG22 THR 62 6.533 1.871 -2.583 49 3HG2 THR 62 HG23 THR 62 5.197 1.914 -1.432 50 H LYS 63 HN LYS 63 1.775 1.570 -1.388 51 HA LYS 63 HA LYS 63 2.528 0.265 1.146 52 1HB LYS 63 HB2 LYS 63 2.590 3.002 0.481 53 2HB LYS 63 HB1 LYS 63 1.198 2.793 1.544 54 1HG LYS 63 HG2 LYS 63 3.750 1.519 2.356 55 2HG LYS 63 HG1 LYS 63 3.632 3.277 2.469 56 1HD LYS 63 HD2 LYS 63 2.889 2.603 4.554 57 2HD LYS 63 HD1 LYS 63 1.377 2.787 3.664 58 1HE LYS 63 HE2 LYS 63 1.924 0.220 3.103 59 2HE LYS 63 HE1 LYS 63 2.707 0.349 4.677 60 1HZ LYS 63 HZ1 LYS 63 0.580 1.249 5.539 61 2HZ LYS 63 HZ2 LYS 63 0.469 -0.351 5.003 62 3HZ LYS 63 HZ3 LYS 63 -0.139 0.904 4.047 63 H LYS 64 HN LYS 64 -0.154 1.970 -0.473 64 HA LYS 64 HA LYS 64 -2.190 1.165 1.240 65 1HB LYS 64 HB2 LYS 64 -3.708 1.757 -0.549 66 2HB LYS 64 HB1 LYS 64 -2.402 2.927 -0.481 67 1HG LYS 64 HG2 LYS 64 -2.463 2.599 -2.719 68 2HG LYS 64 HG1 LYS 64 -1.356 1.294 -2.290 69 1HD LYS 64 HD2 LYS 64 -2.834 -0.307 -2.848 70 2HD LYS 64 HD1 LYS 64 -4.196 0.573 -2.151 71 1HE LYS 64 HE2 LYS 64 -3.065 1.779 -4.576 72 2HE LYS 64 HE1 LYS 64 -3.788 0.189 -4.815 73 1HZ LYS 64 HZ1 LYS 64 -5.283 2.190 -3.280 74 2HZ LYS 64 HZ2 LYS 64 -5.856 0.945 -4.271 75 3HZ LYS 64 HZ3 LYS 64 -5.220 2.352 -4.963 76 H MET 65 HN MET 65 -0.762 -0.459 -1.542 77 HA MET 65 HA MET 65 -2.643 -2.527 -1.809 78 1HB MET 65 HB2 MET 65 -0.964 -2.059 -3.514 79 2HB MET 65 HB1 MET 65 0.321 -2.534 -2.412 80 1HG MET 65 HG2 MET 65 -1.816 -4.509 -2.978 81 2HG MET 65 HG1 MET 65 -0.646 -4.168 -4.252 82 1HE MET 65 HE1 MET 65 -1.738 -5.892 -1.482 83 2HE MET 65 HE2 MET 65 -0.421 -6.186 -0.347 84 3HE MET 65 HE3 MET 65 -0.674 -7.280 -1.708 85 H VAL 66 HN VAL 66 0.425 -2.411 -0.013 86 HA VAL 66 HA VAL 66 0.285 -4.989 1.091 87 HB VAL 66 HB VAL 66 1.468 -2.709 2.644 88 1HG1 VAL 66 HG11 VAL 66 3.290 -4.674 2.681 89 2HG1 VAL 66 HG12 VAL 66 1.831 -5.631 2.427 90 3HG1 VAL 66 HG13 VAL 66 1.957 -4.570 3.830 91 1HG2 VAL 66 HG21 VAL 66 2.310 -2.115 0.561 92 2HG2 VAL 66 HG22 VAL 66 2.434 -3.790 0.022 93 3HG2 VAL 66 HG23 VAL 66 3.569 -3.162 1.216 94 H GLU 67 HN GLU 67 -1.150 -1.947 2.003 95 HA GLU 67 HA GLU 67 -2.124 -2.876 4.546 96 1HB GLU 67 HB2 GLU 67 -1.597 -0.525 4.263 97 2HB GLU 67 HB1 GLU 67 -2.723 -0.398 2.921 98 1HG GLU 67 HG2 GLU 67 -4.579 -0.891 4.464 99 2HG GLU 67 HG1 GLU 67 -3.424 -0.932 5.802 100 H ASN 68 HN ASN 68 -3.240 -2.802 1.256 101 HA ASN 68 HA ASN 68 -6.002 -2.943 1.630 102 1HB ASN 68 HB2 ASN 68 -4.278 -3.055 -0.535 103 2HB ASN 68 HB1 ASN 68 -5.042 -4.642 -0.546 104 1HD2 ASN 68 HD21 ASN 68 -5.546 -1.212 -0.811 105 2HD2 ASN 68 HD22 ASN 68 -7.137 -1.294 -1.479 106 H ALA 69 HN ALA 69 -3.526 -5.367 2.021 107 HA ALA 69 HA ALA 69 -5.445 -7.134 3.280 108 1HB ALA 69 HB1 ALA 69 -5.307 -7.622 0.734 109 2HB ALA 69 HB2 ALA 69 -5.247 -8.963 1.878 110 3HB ALA 69 HB3 ALA 69 -3.761 -8.367 1.139 111 H LYS 70 HN LYS 70 -3.296 -5.649 4.317 112 HA LYS 70 HA LYS 70 -0.898 -7.086 4.563 113 1HB LYS 70 HB2 LYS 70 -1.760 -4.643 5.387 114 2HB LYS 70 HB1 LYS 70 -1.738 -5.513 6.914 115 1HG LYS 70 HG2 LYS 70 0.512 -5.646 6.965 116 2HG LYS 70 HG1 LYS 70 0.652 -5.816 5.214 117 1HD LYS 70 HD2 LYS 70 1.606 -3.700 5.955 118 2HD LYS 70 HD1 LYS 70 0.182 -3.425 4.949 119 1HE LYS 70 HE2 LYS 70 -1.009 -2.538 6.649 120 2HE LYS 70 HE1 LYS 70 -0.326 -3.643 7.842 121 1HZ LYS 70 HZ1 LYS 70 0.259 -1.059 7.744 122 2HZ LYS 70 HZ2 LYS 70 1.492 -1.654 6.750 123 3HZ LYS 70 HZ3 LYS 70 1.334 -2.224 8.335 124 H LYS 71 HN LYS 71 -3.993 -7.644 5.926 125 HA LYS 71 HA LYS 71 -4.792 -9.312 7.252 126 1HB LYS 71 HB2 LYS 71 -2.006 -10.449 7.416 127 2HB LYS 71 HB1 LYS 71 -3.538 -11.297 7.578 128 1HG LYS 71 HG2 LYS 71 -2.393 -10.113 5.059 129 2HG LYS 71 HG1 LYS 71 -2.542 -11.826 5.456 130 1HD LYS 71 HD2 LYS 71 -5.105 -11.019 5.765 131 2HD LYS 71 HD1 LYS 71 -4.570 -9.918 4.494 132 1HE LYS 71 HE2 LYS 71 -4.082 -12.877 4.343 133 2HE LYS 71 HE1 LYS 71 -5.588 -12.154 3.780 134 1HZ LYS 71 HZ1 LYS 71 -3.582 -12.502 2.167 135 2HZ LYS 71 HZ2 LYS 71 -3.052 -11.036 2.823 136 3HZ LYS 71 HZ3 LYS 71 -4.552 -11.120 2.047 137 H ILE 72 HN ILE 72 -3.907 -6.856 8.352 138 HA ILE 72 HA ILE 72 -3.674 -7.654 11.119 139 HB ILE 72 HB ILE 72 -1.740 -6.189 11.594 140 1HG1 ILE 72 HG12 ILE 72 -1.078 -6.214 8.666 141 2HG1 ILE 72 HG11 ILE 72 -2.116 -4.945 9.323 142 1HG2 ILE 72 HG21 ILE 72 -1.590 -8.687 11.153 143 2HG2 ILE 72 HG22 ILE 72 -0.091 -7.767 11.028 144 3HG2 ILE 72 HG23 ILE 72 -0.947 -8.259 9.567 145 1HD1 ILE 72 HD11 ILE 72 -0.322 -3.829 9.959 146 2HD1 ILE 72 HD12 ILE 72 0.712 -5.117 9.340 147 3HD1 ILE 72 HD13 ILE 72 0.144 -5.167 11.009 Start of MODEL 5 1 1H GLY 55 HT1 GLY 55 3.384 14.020 -11.444 2 2H GLY 55 HT2 GLY 55 1.974 14.777 -10.896 3 3H GLY 55 HT3 GLY 55 1.937 13.147 -11.345 4 1HA GLY 55 HA1 GLY 55 3.420 14.286 -9.038 5 2HA GLY 55 HA2 GLY 55 1.926 13.366 -8.941 6 HA PRO 56 HA PRO 56 5.369 10.308 -8.738 7 1HB PRO 56 HB2 PRO 56 5.232 9.608 -6.156 8 2HB PRO 56 HB1 PRO 56 6.088 11.062 -6.677 9 1HG PRO 56 HG2 PRO 56 3.486 10.800 -5.296 10 2HG PRO 56 HG1 PRO 56 4.638 12.135 -5.275 11 1HD PRO 56 HD2 PRO 56 2.254 11.910 -6.833 12 2HD PRO 56 HD1 PRO 56 3.454 13.218 -6.871 13 H GLU 57 HN GLU 57 2.604 9.836 -6.567 14 HA GLU 57 HA GLU 57 1.303 8.021 -6.164 15 1HB GLU 57 HB2 GLU 57 0.520 9.248 -8.367 16 2HB GLU 57 HB1 GLU 57 0.969 7.720 -9.114 17 1HG GLU 57 HG2 GLU 57 -0.682 7.435 -6.720 18 2HG GLU 57 HG1 GLU 57 -1.465 8.298 -8.043 19 H ALA 58 HN ALA 58 4.100 7.347 -6.452 20 HA ALA 58 HA ALA 58 3.938 4.680 -7.685 21 1HB ALA 58 HB1 ALA 58 6.546 4.907 -7.257 22 2HB ALA 58 HB2 ALA 58 6.149 6.624 -7.315 23 3HB ALA 58 HB3 ALA 58 5.770 5.584 -8.688 24 H SER 59 HN SER 59 5.509 6.264 -4.896 25 HA SER 59 HA SER 59 6.009 3.910 -3.463 26 1HB SER 59 HB2 SER 59 5.917 6.813 -2.807 27 2HB SER 59 HB1 SER 59 5.866 5.676 -1.459 28 HG SER 59 HG SER 59 7.996 6.071 -1.856 29 H ALA 60 HN ALA 60 3.182 5.978 -3.623 30 HA ALA 60 HA ALA 60 1.797 5.028 -1.384 31 1HB ALA 60 HB1 ALA 60 -0.038 6.165 -2.191 32 2HB ALA 60 HB2 ALA 60 0.334 5.786 -3.873 33 3HB ALA 60 HB3 ALA 60 1.282 6.999 -3.012 34 H PHE 61 HN PHE 61 1.767 3.901 -4.753 35 HA PHE 61 HA PHE 61 -0.166 1.897 -4.442 36 1HB PHE 61 HB2 PHE 61 0.612 2.703 -6.631 37 2HB PHE 61 HB1 PHE 61 2.182 1.963 -6.349 38 HD1 PHE 61 HD1 PHE 61 -1.154 0.536 -5.588 39 HD2 PHE 61 HD2 PHE 61 2.300 0.391 -8.070 40 HE1 PHE 61 HE1 PHE 61 -1.966 -1.560 -6.589 41 HE2 PHE 61 HE2 PHE 61 1.494 -1.705 -9.075 42 HZ PHE 61 HZ PHE 61 -0.641 -2.683 -8.335 43 H THR 62 HN THR 62 3.250 1.956 -3.729 44 HA THR 62 HA THR 62 3.392 -0.894 -3.267 45 HB THR 62 HB THR 62 5.685 -0.041 -2.212 46 HG1 THR 62 HG1 THR 62 6.269 1.911 -2.851 47 1HG2 THR 62 HG21 THR 62 5.143 -0.037 -5.170 48 2HG2 THR 62 HG22 THR 62 5.593 -1.431 -4.188 49 3HG2 THR 62 HG23 THR 62 6.735 -0.106 -4.415 50 H LYS 63 HN LYS 63 1.869 1.415 -1.614 51 HA LYS 63 HA LYS 63 2.590 0.279 1.009 52 1HB LYS 63 HB2 LYS 63 2.578 2.973 0.191 53 2HB LYS 63 HB1 LYS 63 1.162 2.777 1.223 54 1HG LYS 63 HG2 LYS 63 2.987 3.464 2.587 55 2HG LYS 63 HG1 LYS 63 2.646 1.772 2.951 56 1HD LYS 63 HD2 LYS 63 4.478 1.500 0.979 57 2HD LYS 63 HD1 LYS 63 5.020 3.008 1.720 58 1HE LYS 63 HE2 LYS 63 4.577 0.375 3.123 59 2HE LYS 63 HE1 LYS 63 6.134 1.110 2.746 60 1HZ LYS 63 HZ1 LYS 63 4.080 2.211 4.587 61 2HZ LYS 63 HZ2 LYS 63 5.539 2.972 4.194 62 3HZ LYS 63 HZ3 LYS 63 5.551 1.506 5.037 63 H LYS 64 HN LYS 64 -0.104 1.801 -0.766 64 HA LYS 64 HA LYS 64 -2.157 1.016 0.934 65 1HB LYS 64 HB2 LYS 64 -3.646 1.463 -0.916 66 2HB LYS 64 HB1 LYS 64 -2.375 2.672 -0.892 67 1HG LYS 64 HG2 LYS 64 -1.232 1.560 -2.706 68 2HG LYS 64 HG1 LYS 64 -2.423 0.259 -2.692 69 1HD LYS 64 HD2 LYS 64 -4.029 2.430 -2.951 70 2HD LYS 64 HD1 LYS 64 -2.592 2.970 -3.819 71 1HE LYS 64 HE2 LYS 64 -2.900 1.503 -5.502 72 2HE LYS 64 HE1 LYS 64 -3.459 0.227 -4.422 73 1HZ LYS 64 HZ1 LYS 64 -5.612 1.302 -4.308 74 2HZ LYS 64 HZ2 LYS 64 -5.209 0.976 -5.918 75 3HZ LYS 64 HZ3 LYS 64 -5.078 2.551 -5.317 76 H MET 65 HN MET 65 -0.641 -0.691 -1.759 77 HA MET 65 HA MET 65 -2.432 -2.840 -1.935 78 1HB MET 65 HB2 MET 65 -0.742 -2.399 -3.636 79 2HB MET 65 HB1 MET 65 0.539 -2.772 -2.493 80 1HG MET 65 HG2 MET 65 -1.518 -4.847 -2.994 81 2HG MET 65 HG1 MET 65 -0.334 -4.530 -4.261 82 1HE MET 65 HE1 MET 65 -1.422 -6.152 -1.424 83 2HE MET 65 HE2 MET 65 -0.103 -6.432 -0.287 84 3HE MET 65 HE3 MET 65 -0.340 -7.525 -1.650 85 H VAL 66 HN VAL 66 0.600 -2.526 -0.102 86 HA VAL 66 HA VAL 66 0.534 -5.047 1.127 87 HB VAL 66 HB VAL 66 1.602 -2.649 2.584 88 1HG1 VAL 66 HG11 VAL 66 2.108 -4.449 3.867 89 2HG1 VAL 66 HG12 VAL 66 3.495 -4.517 2.780 90 3HG1 VAL 66 HG13 VAL 66 2.104 -5.565 2.501 91 1HG2 VAL 66 HG21 VAL 66 2.657 -3.824 0.038 92 2HG2 VAL 66 HG22 VAL 66 3.746 -3.094 1.218 93 3HG2 VAL 66 HG23 VAL 66 2.462 -2.130 0.488 94 H GLU 67 HN GLU 67 -1.023 -2.018 1.869 95 HA GLU 67 HA GLU 67 -2.012 -2.858 4.437 96 1HB GLU 67 HB2 GLU 67 -1.567 -0.506 4.046 97 2HB GLU 67 HB1 GLU 67 -2.672 -0.489 2.680 98 1HG GLU 67 HG2 GLU 67 -4.558 -0.652 4.052 99 2HG GLU 67 HG1 GLU 67 -3.605 -1.180 5.444 100 H ASN 68 HN ASN 68 -3.063 -3.007 1.131 101 HA ASN 68 HA ASN 68 -5.823 -3.216 1.443 102 1HB ASN 68 HB2 ASN 68 -4.019 -3.455 -0.658 103 2HB ASN 68 HB1 ASN 68 -4.787 -5.038 -0.582 104 1HD2 ASN 68 HD21 ASN 68 -5.299 -1.621 -1.040 105 2HD2 ASN 68 HD22 ASN 68 -6.860 -1.752 -1.768 106 H ALA 69 HN ALA 69 -3.295 -5.520 2.102 107 HA ALA 69 HA ALA 69 -5.242 -7.280 3.355 108 1HB ALA 69 HB1 ALA 69 -4.876 -9.159 2.099 109 2HB ALA 69 HB2 ALA 69 -3.281 -8.628 1.566 110 3HB ALA 69 HB3 ALA 69 -4.730 -7.920 0.853 111 H LYS 70 HN LYS 70 -3.265 -5.577 4.446 112 HA LYS 70 HA LYS 70 -0.848 -6.864 5.059 113 1HB LYS 70 HB2 LYS 70 -1.329 -4.444 5.419 114 2HB LYS 70 HB1 LYS 70 -2.348 -4.885 6.782 115 1HG LYS 70 HG2 LYS 70 -0.582 -5.393 8.121 116 2HG LYS 70 HG1 LYS 70 0.443 -5.885 6.771 117 1HD LYS 70 HD2 LYS 70 1.395 -3.882 7.528 118 2HD LYS 70 HD1 LYS 70 0.449 -3.411 6.114 119 1HE LYS 70 HE2 LYS 70 -0.363 -1.828 7.491 120 2HE LYS 70 HE1 LYS 70 -1.400 -3.133 8.065 121 1HZ LYS 70 HZ1 LYS 70 0.472 -3.588 9.712 122 2HZ LYS 70 HZ2 LYS 70 -0.490 -2.225 9.986 123 3HZ LYS 70 HZ3 LYS 70 1.050 -2.049 9.310 124 H LYS 71 HN LYS 71 -4.040 -7.443 6.170 125 HA LYS 71 HA LYS 71 -4.898 -9.027 7.561 126 1HB LYS 71 HB2 LYS 71 -2.098 -9.996 8.110 127 2HB LYS 71 HB1 LYS 71 -3.600 -10.905 8.201 128 1HG LYS 71 HG2 LYS 71 -2.254 -9.899 5.705 129 2HG LYS 71 HG1 LYS 71 -2.368 -11.574 6.250 130 1HD LYS 71 HD2 LYS 71 -4.953 -11.051 6.207 131 2HD LYS 71 HD1 LYS 71 -4.451 -9.814 5.053 132 1HE LYS 71 HE2 LYS 71 -3.384 -11.500 3.672 133 2HE LYS 71 HE1 LYS 71 -3.790 -12.750 4.848 134 1HZ LYS 71 HZ1 LYS 71 -5.997 -12.701 4.272 135 2HZ LYS 71 HZ2 LYS 71 -5.277 -12.393 2.773 136 3HZ LYS 71 HZ3 LYS 71 -5.937 -11.120 3.672 137 H ILE 72 HN ILE 72 -4.347 -6.463 8.521 138 HA ILE 72 HA ILE 72 -3.399 -6.922 11.266 139 HB ILE 72 HB ILE 72 -3.430 -4.391 11.402 140 1HG1 ILE 72 HG12 ILE 72 -3.489 -4.538 8.387 141 2HG1 ILE 72 HG11 ILE 72 -4.934 -4.204 9.346 142 1HG2 ILE 72 HG21 ILE 72 -1.387 -4.356 9.648 143 2HG2 ILE 72 HG22 ILE 72 -1.583 -6.095 9.866 144 3HG2 ILE 72 HG23 ILE 72 -1.282 -5.059 11.262 145 1HD1 ILE 72 HD11 ILE 72 -3.218 -2.333 8.364 146 2HD1 ILE 72 HD12 ILE 72 -2.652 -2.516 10.024 147 3HD1 ILE 72 HD13 ILE 72 -4.333 -2.088 9.708 Start of MODEL 6 1 1H GLY 55 HT1 GLY 55 0.254 11.409 -8.699 2 2H GLY 55 HT2 GLY 55 -0.421 11.936 -10.157 3 3H GLY 55 HT3 GLY 55 -0.299 13.001 -8.850 4 1HA GLY 55 HA1 GLY 55 1.449 12.926 -10.858 5 2HA GLY 55 HA2 GLY 55 1.835 13.495 -9.241 6 HA PRO 56 HA PRO 56 4.657 10.097 -8.936 7 1HB PRO 56 HB2 PRO 56 4.826 9.717 -6.289 8 2HB PRO 56 HB1 PRO 56 5.348 11.226 -7.043 9 1HG PRO 56 HG2 PRO 56 2.943 10.665 -5.417 10 2HG PRO 56 HG1 PRO 56 3.812 12.181 -5.648 11 1HD PRO 56 HD2 PRO 56 1.421 11.324 -6.954 12 2HD PRO 56 HD1 PRO 56 2.339 12.816 -7.244 13 H GLU 57 HN GLU 57 2.184 9.401 -6.489 14 HA GLU 57 HA GLU 57 1.289 7.443 -5.772 15 1HB GLU 57 HB2 GLU 57 0.140 8.215 -8.021 16 2HB GLU 57 HB1 GLU 57 0.828 6.714 -8.629 17 1HG GLU 57 HG2 GLU 57 -0.627 5.434 -7.498 18 2HG GLU 57 HG1 GLU 57 -0.604 6.479 -6.078 19 H ALA 58 HN ALA 58 4.138 7.266 -6.229 20 HA ALA 58 HA ALA 58 4.491 4.557 -7.279 21 1HB ALA 58 HB1 ALA 58 6.038 6.220 -8.115 22 2HB ALA 58 HB2 ALA 58 6.902 5.039 -7.131 23 3HB ALA 58 HB3 ALA 58 6.526 6.631 -6.471 24 H SER 59 HN SER 59 6.013 6.285 -4.563 25 HA SER 59 HA SER 59 6.506 3.978 -3.054 26 1HB SER 59 HB2 SER 59 6.199 6.829 -2.079 27 2HB SER 59 HB1 SER 59 6.961 5.513 -1.186 28 HG SER 59 HG SER 59 7.840 6.332 -3.749 29 H ALA 60 HN ALA 60 3.716 6.071 -3.244 30 HA ALA 60 HA ALA 60 2.427 5.146 -0.885 31 1HB ALA 60 HB1 ALA 60 1.739 7.243 -1.733 32 2HB ALA 60 HB2 ALA 60 0.376 6.149 -1.971 33 3HB ALA 60 HB3 ALA 60 1.415 6.574 -3.332 34 H PHE 61 HN PHE 61 1.794 4.456 -4.331 35 HA PHE 61 HA PHE 61 -0.150 2.509 -3.976 36 1HB PHE 61 HB2 PHE 61 0.395 3.512 -6.151 37 2HB PHE 61 HB1 PHE 61 1.932 2.657 -6.165 38 HD1 PHE 61 HD1 PHE 61 -1.360 1.328 -5.102 39 HD2 PHE 61 HD2 PHE 61 1.704 1.303 -8.056 40 HE1 PHE 61 HE1 PHE 61 -2.441 -0.590 -6.201 41 HE2 PHE 61 HE2 PHE 61 0.629 -0.614 -9.160 42 HZ PHE 61 HZ PHE 61 -1.446 -1.563 -8.234 43 H THR 62 HN THR 62 3.319 2.285 -3.701 44 HA THR 62 HA THR 62 3.356 -0.594 -3.634 45 HB THR 62 HB THR 62 5.756 -0.003 -2.663 46 HG1 THR 62 HG1 THR 62 6.412 2.032 -3.503 47 1HG2 THR 62 HG21 THR 62 5.987 -0.961 -4.688 48 2HG2 THR 62 HG22 THR 62 6.345 0.699 -5.166 49 3HG2 THR 62 HG23 THR 62 4.733 0.033 -5.428 50 H LYS 63 HN LYS 63 2.171 1.583 -1.509 51 HA LYS 63 HA LYS 63 2.989 -0.003 0.836 52 1HB LYS 63 HB2 LYS 63 3.225 2.721 0.473 53 2HB LYS 63 HB1 LYS 63 1.729 2.579 1.395 54 1HG LYS 63 HG2 LYS 63 3.578 2.878 2.899 55 2HG LYS 63 HG1 LYS 63 2.935 1.245 3.083 56 1HD LYS 63 HD2 LYS 63 4.823 0.830 1.190 57 2HD LYS 63 HD1 LYS 63 5.559 2.152 2.098 58 1HE LYS 63 HE2 LYS 63 6.316 0.123 3.078 59 2HE LYS 63 HE1 LYS 63 5.137 0.826 4.184 60 1HZ LYS 63 HZ1 LYS 63 4.903 -1.563 2.493 61 2HZ LYS 63 HZ2 LYS 63 3.503 -0.695 2.874 62 3HZ LYS 63 HZ3 LYS 63 4.457 -1.343 4.111 63 H LYS 64 HN LYS 64 0.261 1.852 -0.516 64 HA LYS 64 HA LYS 64 -1.694 0.947 1.252 65 1HB LYS 64 HB2 LYS 64 -3.271 1.493 -0.681 66 2HB LYS 64 HB1 LYS 64 -2.257 2.797 -0.086 67 1HG LYS 64 HG2 LYS 64 -0.909 2.779 -1.967 68 2HG LYS 64 HG1 LYS 64 -1.375 1.134 -2.407 69 1HD LYS 64 HD2 LYS 64 -2.711 2.159 -3.898 70 2HD LYS 64 HD1 LYS 64 -3.773 2.403 -2.510 71 1HE LYS 64 HE2 LYS 64 -1.634 4.406 -2.996 72 2HE LYS 64 HE1 LYS 64 -3.022 4.404 -4.084 73 1HZ LYS 64 HZ1 LYS 64 -3.304 5.899 -2.175 74 2HZ LYS 64 HZ2 LYS 64 -3.196 4.578 -1.124 75 3HZ LYS 64 HZ3 LYS 64 -4.484 4.687 -2.215 76 H MET 65 HN MET 65 -0.430 -0.470 -1.710 77 HA MET 65 HA MET 65 -2.369 -2.486 -2.032 78 1HB MET 65 HB2 MET 65 -0.785 -1.881 -3.794 79 2HB MET 65 HB1 MET 65 0.549 -2.490 -2.825 80 1HG MET 65 HG2 MET 65 -1.662 -4.367 -3.394 81 2HG MET 65 HG1 MET 65 -0.626 -3.911 -4.745 82 1HE MET 65 HE1 MET 65 -1.438 -5.860 -2.012 83 2HE MET 65 HE2 MET 65 -0.001 -6.294 -1.088 84 3HE MET 65 HE3 MET 65 -0.458 -7.241 -2.504 85 H VAL 66 HN VAL 66 0.829 -2.565 -0.473 86 HA VAL 66 HA VAL 66 0.702 -5.216 0.443 87 HB VAL 66 HB VAL 66 2.068 -3.087 2.060 88 1HG1 VAL 66 HG11 VAL 66 2.300 -5.253 2.961 89 2HG1 VAL 66 HG12 VAL 66 3.823 -4.911 2.140 90 3HG1 VAL 66 HG13 VAL 66 2.627 -5.961 1.380 91 1HG2 VAL 66 HG21 VAL 66 2.796 -3.993 -0.701 92 2HG2 VAL 66 HG22 VAL 66 4.038 -3.481 0.442 93 3HG2 VAL 66 HG23 VAL 66 2.762 -2.360 -0.036 94 H GLU 67 HN GLU 67 -0.542 -2.212 1.706 95 HA GLU 67 HA GLU 67 -1.350 -3.301 4.238 96 1HB GLU 67 HB2 GLU 67 -0.791 -0.946 4.072 97 2HB GLU 67 HB1 GLU 67 -2.018 -0.708 2.838 98 1HG GLU 67 HG2 GLU 67 -3.701 -0.607 4.333 99 2HG GLU 67 HG1 GLU 67 -2.967 -1.809 5.401 100 H ASN 68 HN ASN 68 -2.711 -3.003 1.059 101 HA ASN 68 HA ASN 68 -5.439 -3.100 1.627 102 1HB ASN 68 HB2 ASN 68 -3.947 -3.046 -0.654 103 2HB ASN 68 HB1 ASN 68 -4.574 -4.691 -0.699 104 1HD2 ASN 68 HD21 ASN 68 -5.334 -1.328 -0.884 105 2HD2 ASN 68 HD22 ASN 68 -6.976 -1.510 -1.388 106 H ALA 69 HN ALA 69 -3.013 -5.595 1.754 107 HA ALA 69 HA ALA 69 -5.052 -7.454 2.756 108 1HB ALA 69 HB1 ALA 69 -4.457 -9.191 1.382 109 2HB ALA 69 HB2 ALA 69 -2.840 -8.551 1.089 110 3HB ALA 69 HB3 ALA 69 -4.234 -7.824 0.290 111 H LYS 70 HN LYS 70 -3.246 -5.822 4.231 112 HA LYS 70 HA LYS 70 -1.084 -7.548 5.103 113 1HB LYS 70 HB2 LYS 70 -0.810 -5.078 4.920 114 2HB LYS 70 HB1 LYS 70 -1.968 -4.888 6.229 115 1HG LYS 70 HG2 LYS 70 -0.004 -6.700 7.129 116 2HG LYS 70 HG1 LYS 70 0.841 -5.354 6.363 117 1HD LYS 70 HD2 LYS 70 0.609 -4.425 8.414 118 2HD LYS 70 HD1 LYS 70 -0.983 -3.991 7.788 119 1HE LYS 70 HE2 LYS 70 -1.017 -5.010 10.065 120 2HE LYS 70 HE1 LYS 70 -1.996 -5.863 8.872 121 1HZ LYS 70 HZ1 LYS 70 -0.415 -7.170 10.441 122 2HZ LYS 70 HZ2 LYS 70 0.776 -6.722 9.327 123 3HZ LYS 70 HZ3 LYS 70 -0.558 -7.628 8.818 124 H LYS 71 HN LYS 71 -4.323 -7.431 5.734 125 HA LYS 71 HA LYS 71 -5.658 -8.314 7.346 126 1HB LYS 71 HB2 LYS 71 -3.054 -9.593 8.190 127 2HB LYS 71 HB1 LYS 71 -4.614 -9.994 8.893 128 1HG LYS 71 HG2 LYS 71 -4.475 -11.639 7.338 129 2HG LYS 71 HG1 LYS 71 -5.250 -10.393 6.358 130 1HD LYS 71 HD2 LYS 71 -3.467 -11.305 5.067 131 2HD LYS 71 HD1 LYS 71 -2.960 -9.700 5.599 132 1HE LYS 71 HE2 LYS 71 -1.079 -10.769 6.218 133 2HE LYS 71 HE1 LYS 71 -2.030 -11.217 7.633 134 1HZ LYS 71 HZ1 LYS 71 -0.812 -13.057 6.397 135 2HZ LYS 71 HZ2 LYS 71 -2.001 -12.900 5.204 136 3HZ LYS 71 HZ3 LYS 71 -2.437 -13.331 6.781 137 H ILE 72 HN ILE 72 -4.666 -5.714 7.753 138 HA ILE 72 HA ILE 72 -3.600 -5.230 10.293 139 HB ILE 72 HB ILE 72 -4.562 -2.962 10.091 140 1HG1 ILE 72 HG12 ILE 72 -5.584 -3.516 7.364 141 2HG1 ILE 72 HG11 ILE 72 -6.576 -4.108 8.699 142 1HG2 ILE 72 HG21 ILE 72 -3.151 -4.143 7.715 143 2HG2 ILE 72 HG22 ILE 72 -2.458 -3.259 9.075 144 3HG2 ILE 72 HG23 ILE 72 -3.443 -2.412 7.881 145 1HD1 ILE 72 HD11 ILE 72 -5.973 -1.541 9.464 146 2HD1 ILE 72 HD12 ILE 72 -7.475 -2.078 8.712 147 3HD1 ILE 72 HD13 ILE 72 -6.183 -1.405 7.718 Start of MODEL 7 1 1H GLY 55 HT1 GLY 55 3.121 13.503 -9.969 2 2H GLY 55 HT2 GLY 55 1.722 13.767 -9.055 3 3H GLY 55 HT3 GLY 55 1.741 14.152 -10.702 4 1HA GLY 55 HA1 GLY 55 0.731 11.887 -9.722 5 2HA GLY 55 HA2 GLY 55 1.341 12.066 -11.360 6 HA PRO 56 HA PRO 56 4.728 9.702 -9.046 7 1HB PRO 56 HB2 PRO 56 4.650 9.408 -6.384 8 2HB PRO 56 HB1 PRO 56 5.193 10.912 -7.134 9 1HG PRO 56 HG2 PRO 56 2.660 10.315 -5.731 10 2HG PRO 56 HG1 PRO 56 3.499 11.853 -5.927 11 1HD PRO 56 HD2 PRO 56 1.276 10.873 -7.429 12 2HD PRO 56 HD1 PRO 56 2.169 12.387 -7.679 13 H GLU 57 HN GLU 57 2.051 8.993 -6.828 14 HA GLU 57 HA GLU 57 1.155 7.027 -6.136 15 1HB GLU 57 HB2 GLU 57 0.207 7.689 -8.510 16 2HB GLU 57 HB1 GLU 57 0.999 6.195 -8.998 17 1HG GLU 57 HG2 GLU 57 -0.501 4.894 -7.942 18 2HG GLU 57 HG1 GLU 57 -0.686 6.015 -6.594 19 H ALA 58 HN ALA 58 4.039 6.938 -6.309 20 HA ALA 58 HA ALA 58 4.496 4.139 -7.092 21 1HB ALA 58 HB1 ALA 58 6.600 4.670 -7.714 22 2HB ALA 58 HB2 ALA 58 6.812 5.826 -6.399 23 3HB ALA 58 HB3 ALA 58 5.922 6.293 -7.848 24 H SER 59 HN SER 59 5.927 6.342 -4.681 25 HA SER 59 HA SER 59 6.614 4.322 -2.867 26 1HB SER 59 HB2 SER 59 6.225 7.294 -2.571 27 2HB SER 59 HB1 SER 59 6.661 6.284 -1.193 28 HG SER 59 HG SER 59 8.611 6.037 -1.979 29 H ALA 60 HN ALA 60 3.655 6.124 -3.316 30 HA ALA 60 HA ALA 60 2.478 5.273 -0.831 31 1HB ALA 60 HB1 ALA 60 1.855 7.407 -1.851 32 2HB ALA 60 HB2 ALA 60 0.453 6.354 -1.655 33 3HB ALA 60 HB3 ALA 60 1.194 6.550 -3.243 34 H PHE 61 HN PHE 61 2.069 4.431 -4.259 35 HA PHE 61 HA PHE 61 0.025 2.557 -3.960 36 1HB PHE 61 HB2 PHE 61 0.758 3.441 -6.135 37 2HB PHE 61 HB1 PHE 61 2.269 2.554 -5.989 38 HD1 PHE 61 HD1 PHE 61 -1.120 1.344 -5.107 39 HD2 PHE 61 HD2 PHE 61 2.143 1.118 -7.831 40 HE1 PHE 61 HE1 PHE 61 -2.163 -0.604 -6.189 41 HE2 PHE 61 HE2 PHE 61 1.106 -0.831 -8.917 42 HZ PHE 61 HZ PHE 61 -1.050 -1.694 -8.097 43 H THR 62 HN THR 62 3.462 2.290 -3.423 44 HA THR 62 HA THR 62 3.440 -0.579 -3.208 45 HB THR 62 HB THR 62 5.455 0.633 -3.936 46 HG1 THR 62 HG1 THR 62 5.740 -1.370 -2.919 47 1HG2 THR 62 HG21 THR 62 5.309 1.839 -1.204 48 2HG2 THR 62 HG22 THR 62 5.553 2.631 -2.761 49 3HG2 THR 62 HG23 THR 62 6.845 1.662 -2.052 50 H LYS 63 HN LYS 63 2.149 1.731 -1.284 51 HA LYS 63 HA LYS 63 2.727 0.227 1.184 52 1HB LYS 63 HB2 LYS 63 3.093 2.925 0.726 53 2HB LYS 63 HB1 LYS 63 1.528 2.873 1.538 54 1HG LYS 63 HG2 LYS 63 3.867 1.385 2.660 55 2HG LYS 63 HG1 LYS 63 3.681 3.117 2.943 56 1HD LYS 63 HD2 LYS 63 2.556 2.310 4.762 57 2HD LYS 63 HD1 LYS 63 1.227 2.380 3.603 58 1HE LYS 63 HE2 LYS 63 0.947 0.253 4.387 59 2HE LYS 63 HE1 LYS 63 2.045 -0.065 3.044 60 1HZ LYS 63 HZ1 LYS 63 3.895 -0.018 4.622 61 2HZ LYS 63 HZ2 LYS 63 2.771 -1.218 5.019 62 3HZ LYS 63 HZ3 LYS 63 2.811 0.225 5.899 63 H LYS 64 HN LYS 64 0.189 2.115 -0.458 64 HA LYS 64 HA LYS 64 -1.936 1.371 1.181 65 1HB LYS 64 HB2 LYS 64 -3.322 1.846 -0.926 66 2HB LYS 64 HB1 LYS 64 -2.349 3.155 -0.278 67 1HG LYS 64 HG2 LYS 64 -0.999 3.223 -2.078 68 2HG LYS 64 HG1 LYS 64 -1.048 1.476 -2.318 69 1HD LYS 64 HD2 LYS 64 -2.734 1.618 -3.787 70 2HD LYS 64 HD1 LYS 64 -3.618 2.775 -2.789 71 1HE LYS 64 HE2 LYS 64 -1.561 4.309 -3.664 72 2HE LYS 64 HE1 LYS 64 -1.778 3.226 -5.039 73 1HZ LYS 64 HZ1 LYS 64 -4.229 3.830 -4.838 74 2HZ LYS 64 HZ2 LYS 64 -3.190 5.006 -5.467 75 3HZ LYS 64 HZ3 LYS 64 -3.720 5.117 -3.865 76 H MET 65 HN MET 65 -0.464 -0.266 -1.558 77 HA MET 65 HA MET 65 -2.455 -2.222 -1.951 78 1HB MET 65 HB2 MET 65 -0.706 -1.783 -3.598 79 2HB MET 65 HB1 MET 65 0.518 -2.366 -2.480 80 1HG MET 65 HG2 MET 65 -1.700 -4.208 -3.141 81 2HG MET 65 HG1 MET 65 -0.517 -3.876 -4.404 82 1HE MET 65 HE1 MET 65 -1.679 -5.623 -1.666 83 2HE MET 65 HE2 MET 65 -0.363 -6.052 -0.573 84 3HE MET 65 HE3 MET 65 -0.707 -7.062 -1.977 85 H VAL 66 HN VAL 66 0.585 -2.319 -0.105 86 HA VAL 66 HA VAL 66 0.271 -4.907 0.940 87 HB VAL 66 HB VAL 66 1.576 -2.739 2.555 88 1HG1 VAL 66 HG11 VAL 66 1.366 -5.320 3.071 89 2HG1 VAL 66 HG12 VAL 66 2.826 -4.415 3.469 90 3HG1 VAL 66 HG13 VAL 66 2.772 -5.404 2.009 91 1HG2 VAL 66 HG21 VAL 66 2.478 -2.154 0.494 92 2HG2 VAL 66 HG22 VAL 66 2.504 -3.822 -0.080 93 3HG2 VAL 66 HG23 VAL 66 3.662 -3.291 1.140 94 H GLU 67 HN GLU 67 -0.974 -1.797 1.903 95 HA GLU 67 HA GLU 67 -2.037 -2.707 4.415 96 1HB GLU 67 HB2 GLU 67 -1.370 -0.386 4.172 97 2HB GLU 67 HB1 GLU 67 -2.473 -0.175 2.821 98 1HG GLU 67 HG2 GLU 67 -4.377 -0.495 4.292 99 2HG GLU 67 HG1 GLU 67 -3.291 -0.783 5.656 100 H ASN 68 HN ASN 68 -3.108 -2.516 1.113 101 HA ASN 68 HA ASN 68 -5.877 -2.501 1.452 102 1HB ASN 68 HB2 ASN 68 -4.211 -2.578 -0.697 103 2HB ASN 68 HB1 ASN 68 -4.859 -4.215 -0.726 104 1HD2 ASN 68 HD21 ASN 68 -5.524 -0.865 -1.162 105 2HD2 ASN 68 HD22 ASN 68 -7.129 -1.042 -1.777 106 H ALA 69 HN ALA 69 -3.553 -5.073 1.837 107 HA ALA 69 HA ALA 69 -5.587 -6.740 3.051 108 1HB ALA 69 HB1 ALA 69 -5.671 -7.304 0.627 109 2HB ALA 69 HB2 ALA 69 -5.238 -8.663 1.664 110 3HB ALA 69 HB3 ALA 69 -3.991 -7.829 0.738 111 H LYS 70 HN LYS 70 -3.365 -5.403 4.131 112 HA LYS 70 HA LYS 70 -1.059 -6.983 4.376 113 1HB LYS 70 HB2 LYS 70 -1.775 -4.506 5.225 114 2HB LYS 70 HB1 LYS 70 -1.834 -5.395 6.740 115 1HG LYS 70 HG2 LYS 70 0.560 -5.806 5.060 116 2HG LYS 70 HG1 LYS 70 0.377 -4.222 5.817 117 1HD LYS 70 HD2 LYS 70 -0.135 -6.545 7.559 118 2HD LYS 70 HD1 LYS 70 1.534 -6.343 7.022 119 1HE LYS 70 HE2 LYS 70 0.139 -3.924 8.002 120 2HE LYS 70 HE1 LYS 70 0.545 -5.149 9.204 121 1HZ LYS 70 HZ1 LYS 70 2.328 -3.580 9.034 122 2HZ LYS 70 HZ2 LYS 70 2.430 -3.787 7.358 123 3HZ LYS 70 HZ3 LYS 70 2.855 -5.055 8.394 124 H LYS 71 HN LYS 71 -4.195 -7.378 5.702 125 HA LYS 71 HA LYS 71 -5.103 -9.014 6.995 126 1HB LYS 71 HB2 LYS 71 -2.393 -10.319 7.163 127 2HB LYS 71 HB1 LYS 71 -3.974 -11.076 7.300 128 1HG LYS 71 HG2 LYS 71 -2.738 -9.924 4.809 129 2HG LYS 71 HG1 LYS 71 -2.993 -11.631 5.178 130 1HD LYS 71 HD2 LYS 71 -5.505 -10.663 5.481 131 2HD LYS 71 HD1 LYS 71 -4.890 -9.595 4.219 132 1HE LYS 71 HE2 LYS 71 -5.783 -11.354 3.004 133 2HE LYS 71 HE1 LYS 71 -4.075 -11.778 3.100 134 1HZ LYS 71 HZ1 LYS 71 -6.375 -13.019 4.419 135 2HZ LYS 71 HZ2 LYS 71 -4.896 -13.026 5.239 136 3HZ LYS 71 HZ3 LYS 71 -5.018 -13.740 3.711 137 H ILE 72 HN ILE 72 -4.110 -6.637 8.148 138 HA ILE 72 HA ILE 72 -2.597 -7.111 10.493 139 HB ILE 72 HB ILE 72 -3.554 -4.902 11.253 140 1HG1 ILE 72 HG12 ILE 72 -4.706 -4.751 8.469 141 2HG1 ILE 72 HG11 ILE 72 -5.677 -5.247 9.858 142 1HG2 ILE 72 HG21 ILE 72 -1.944 -5.410 8.839 143 2HG2 ILE 72 HG22 ILE 72 -1.553 -4.497 10.296 144 3HG2 ILE 72 HG23 ILE 72 -2.544 -3.763 9.034 145 1HD1 ILE 72 HD11 ILE 72 -4.525 -2.930 10.741 146 2HD1 ILE 72 HD12 ILE 72 -6.146 -3.082 10.062 147 3HD1 ILE 72 HD13 ILE 72 -4.800 -2.598 9.031 Start of MODEL 8 1 1H GLY 55 HT1 GLY 55 2.342 14.346 -10.685 2 2H GLY 55 HT2 GLY 55 2.558 14.337 -9.008 3 3H GLY 55 HT3 GLY 55 1.158 15.011 -9.676 4 1HA GLY 55 HA1 GLY 55 0.601 12.881 -8.782 5 2HA GLY 55 HA2 GLY 55 0.514 12.820 -10.536 6 HA PRO 56 HA PRO 56 4.288 10.221 -9.296 7 1HB PRO 56 HB2 PRO 56 4.915 9.901 -6.711 8 2HB PRO 56 HB1 PRO 56 5.371 11.356 -7.601 9 1HG PRO 56 HG2 PRO 56 3.275 10.982 -5.550 10 2HG PRO 56 HG1 PRO 56 4.169 12.437 -5.989 11 1HD PRO 56 HD2 PRO 56 1.537 11.690 -6.811 12 2HD PRO 56 HD1 PRO 56 2.466 13.117 -7.316 13 H GLU 57 HN GLU 57 2.267 9.739 -6.421 14 HA GLU 57 HA GLU 57 1.414 7.856 -5.483 15 1HB GLU 57 HB2 GLU 57 -0.082 8.636 -7.515 16 2HB GLU 57 HB1 GLU 57 0.402 7.081 -8.182 17 1HG GLU 57 HG2 GLU 57 -0.578 7.043 -5.405 18 2HG GLU 57 HG1 GLU 57 -1.767 7.445 -6.643 19 H ALA 58 HN ALA 58 4.118 7.498 -6.438 20 HA ALA 58 HA ALA 58 4.193 4.820 -7.565 21 1HB ALA 58 HB1 ALA 58 5.845 6.224 -8.461 22 2HB ALA 58 HB2 ALA 58 6.707 5.180 -7.331 23 3HB ALA 58 HB3 ALA 58 6.309 6.836 -6.873 24 H SER 59 HN SER 59 5.765 6.336 -4.740 25 HA SER 59 HA SER 59 6.344 3.910 -3.447 26 1HB SER 59 HB2 SER 59 7.256 6.323 -3.026 27 2HB SER 59 HB1 SER 59 5.899 6.448 -1.907 28 HG SER 59 HG SER 59 7.490 5.640 -0.679 29 H ALA 60 HN ALA 60 3.513 5.958 -3.426 30 HA ALA 60 HA ALA 60 2.254 4.921 -1.131 31 1HB ALA 60 HB1 ALA 60 0.698 5.876 -3.502 32 2HB ALA 60 HB2 ALA 60 1.676 7.003 -2.560 33 3HB ALA 60 HB3 ALA 60 0.372 6.104 -1.783 34 H PHE 61 HN PHE 61 2.032 3.998 -4.553 35 HA PHE 61 HA PHE 61 0.076 2.013 -4.266 36 1HB PHE 61 HB2 PHE 61 0.764 2.932 -6.440 37 2HB PHE 61 HB1 PHE 61 2.331 2.151 -6.277 38 HD1 PHE 61 HD1 PHE 61 -0.993 0.738 -5.441 39 HD2 PHE 61 HD2 PHE 61 2.339 0.679 -8.088 40 HE1 PHE 61 HE1 PHE 61 -1.891 -1.282 -6.521 41 HE2 PHE 61 HE2 PHE 61 1.447 -1.341 -9.172 42 HZ PHE 61 HZ PHE 61 -0.671 -2.324 -8.389 43 H THR 62 HN THR 62 3.523 1.970 -3.717 44 HA THR 62 HA THR 62 3.629 -0.904 -3.428 45 HB THR 62 HB THR 62 5.985 -0.166 -2.444 46 HG1 THR 62 HG1 THR 62 6.618 1.804 -3.094 47 1HG2 THR 62 HG21 THR 62 5.047 -0.781 -5.063 48 2HG2 THR 62 HG22 THR 62 6.625 -1.093 -4.340 49 3HG2 THR 62 HG23 THR 62 6.319 0.435 -5.165 50 H LYS 63 HN LYS 63 2.234 1.332 -1.572 51 HA LYS 63 HA LYS 63 3.053 0.030 0.942 52 1HB LYS 63 HB2 LYS 63 3.057 2.768 0.284 53 2HB LYS 63 HB1 LYS 63 1.687 2.536 1.370 54 1HG LYS 63 HG2 LYS 63 3.355 2.972 2.868 55 2HG LYS 63 HG1 LYS 63 3.440 1.211 2.796 56 1HD LYS 63 HD2 LYS 63 5.077 2.686 0.827 57 2HD LYS 63 HD1 LYS 63 5.581 2.810 2.513 58 1HE LYS 63 HE2 LYS 63 5.046 0.204 1.098 59 2HE LYS 63 HE1 LYS 63 6.643 0.937 1.239 60 1HZ LYS 63 HZ1 LYS 63 4.947 -0.219 3.353 61 2HZ LYS 63 HZ2 LYS 63 6.123 0.932 3.743 62 3HZ LYS 63 HZ3 LYS 63 6.576 -0.523 3.008 63 H LYS 64 HN LYS 64 0.310 1.699 -0.612 64 HA LYS 64 HA LYS 64 -1.677 0.854 1.136 65 1HB LYS 64 HB2 LYS 64 -3.240 1.427 -0.620 66 2HB LYS 64 HB1 LYS 64 -1.951 2.616 -0.577 67 1HG LYS 64 HG2 LYS 64 -0.894 1.578 -2.496 68 2HG LYS 64 HG1 LYS 64 -2.135 0.323 -2.520 69 1HD LYS 64 HD2 LYS 64 -2.634 2.003 -4.191 70 2HD LYS 64 HD1 LYS 64 -3.844 2.059 -2.908 71 1HE LYS 64 HE2 LYS 64 -1.466 3.818 -2.651 72 2HE LYS 64 HE1 LYS 64 -2.679 4.250 -3.856 73 1HZ LYS 64 HZ1 LYS 64 -3.674 3.563 -1.210 74 2HZ LYS 64 HZ2 LYS 64 -4.188 4.766 -2.281 75 3HZ LYS 64 HZ3 LYS 64 -2.815 5.016 -1.327 76 H MET 65 HN MET 65 -0.325 -0.720 -1.722 77 HA MET 65 HA MET 65 -2.164 -2.824 -1.932 78 1HB MET 65 HB2 MET 65 -0.551 -2.313 -3.687 79 2HB MET 65 HB1 MET 65 0.777 -2.774 -2.632 80 1HG MET 65 HG2 MET 65 -1.345 -4.779 -3.153 81 2HG MET 65 HG1 MET 65 -0.212 -4.411 -4.452 82 1HE MET 65 HE1 MET 65 -1.204 -6.179 -1.662 83 2HE MET 65 HE2 MET 65 0.168 -6.616 -0.643 84 3HE MET 65 HE3 MET 65 -0.192 -7.558 -2.090 85 H VAL 66 HN VAL 66 0.958 -2.667 -0.237 86 HA VAL 66 HA VAL 66 0.906 -5.255 0.847 87 HB VAL 66 HB VAL 66 2.086 -2.964 2.386 88 1HG1 VAL 66 HG11 VAL 66 3.254 -5.671 1.801 89 2HG1 VAL 66 HG12 VAL 66 2.151 -5.382 3.147 90 3HG1 VAL 66 HG13 VAL 66 3.698 -4.537 3.077 91 1HG2 VAL 66 HG21 VAL 66 2.853 -2.335 0.284 92 2HG2 VAL 66 HG22 VAL 66 2.995 -4.003 -0.273 93 3HG2 VAL 66 HG23 VAL 66 4.153 -3.361 0.892 94 H GLU 67 HN GLU 67 -0.560 -2.251 1.838 95 HA GLU 67 HA GLU 67 -1.438 -3.224 4.399 96 1HB GLU 67 HB2 GLU 67 -0.972 -0.860 4.121 97 2HB GLU 67 HB1 GLU 67 -2.140 -0.748 2.814 98 1HG GLU 67 HG2 GLU 67 -3.955 -0.898 4.248 99 2HG GLU 67 HG1 GLU 67 -2.995 -1.621 5.544 100 H ASN 68 HN ASN 68 -2.655 -3.152 1.145 101 HA ASN 68 HA ASN 68 -5.401 -3.363 1.613 102 1HB ASN 68 HB2 ASN 68 -3.746 -3.398 -0.612 103 2HB ASN 68 HB1 ASN 68 -4.488 -4.995 -0.629 104 1HD2 ASN 68 HD21 ASN 68 -5.037 -1.571 -0.828 105 2HD2 ASN 68 HD22 ASN 68 -6.653 -1.660 -1.433 106 H ALA 69 HN ALA 69 -2.851 -5.724 1.887 107 HA ALA 69 HA ALA 69 -4.840 -7.682 2.818 108 1HB ALA 69 HB1 ALA 69 -3.866 -8.132 0.484 109 2HB ALA 69 HB2 ALA 69 -3.859 -9.450 1.657 110 3HB ALA 69 HB3 ALA 69 -2.379 -8.545 1.339 111 H LYS 70 HN LYS 70 -3.161 -5.796 4.287 112 HA LYS 70 HA LYS 70 -1.036 -7.338 5.477 113 1HB LYS 70 HB2 LYS 70 -0.824 -4.912 5.243 114 2HB LYS 70 HB1 LYS 70 -2.227 -4.677 6.275 115 1HG LYS 70 HG2 LYS 70 -1.085 -5.210 8.186 116 2HG LYS 70 HG1 LYS 70 0.083 -6.223 7.336 117 1HD LYS 70 HD2 LYS 70 1.446 -4.452 7.670 118 2HD LYS 70 HD1 LYS 70 0.639 -3.830 6.229 119 1HE LYS 70 HE2 LYS 70 0.635 -2.101 7.878 120 2HE LYS 70 HE1 LYS 70 -1.012 -2.712 7.728 121 1HZ LYS 70 HZ1 LYS 70 -0.097 -4.259 9.681 122 2HZ LYS 70 HZ2 LYS 70 -0.861 -2.776 9.959 123 3HZ LYS 70 HZ3 LYS 70 0.828 -2.872 9.969 124 H LYS 71 HN LYS 71 -4.323 -7.442 5.810 125 HA LYS 71 HA LYS 71 -5.736 -8.353 7.338 126 1HB LYS 71 HB2 LYS 71 -3.125 -9.430 8.407 127 2HB LYS 71 HB1 LYS 71 -4.693 -9.882 9.060 128 1HG LYS 71 HG2 LYS 71 -4.393 -11.595 7.605 129 2HG LYS 71 HG1 LYS 71 -5.184 -10.446 6.524 130 1HD LYS 71 HD2 LYS 71 -3.362 -11.145 5.271 131 2HD LYS 71 HD1 LYS 71 -2.772 -9.652 6.004 132 1HE LYS 71 HE2 LYS 71 -1.469 -10.808 7.574 133 2HE LYS 71 HE1 LYS 71 -2.324 -12.324 7.295 134 1HZ LYS 71 HZ1 LYS 71 -1.082 -12.797 5.494 135 2HZ LYS 71 HZ2 LYS 71 0.039 -11.768 6.231 136 3HZ LYS 71 HZ3 LYS 71 -0.958 -11.184 4.996 137 H ILE 72 HN ILE 72 -4.886 -5.674 7.727 138 HA ILE 72 HA ILE 72 -4.168 -5.122 10.399 139 HB ILE 72 HB ILE 72 -5.132 -2.841 9.938 140 1HG1 ILE 72 HG12 ILE 72 -5.492 -3.865 7.121 141 2HG1 ILE 72 HG11 ILE 72 -6.828 -3.772 8.272 142 1HG2 ILE 72 HG21 ILE 72 -2.852 -3.012 9.551 143 2HG2 ILE 72 HG22 ILE 72 -3.465 -2.419 8.008 144 3HG2 ILE 72 HG23 ILE 72 -3.063 -4.125 8.200 145 1HD1 ILE 72 HD11 ILE 72 -6.078 -1.803 6.542 146 2HD1 ILE 72 HD12 ILE 72 -5.305 -1.295 8.043 147 3HD1 ILE 72 HD13 ILE 72 -7.046 -1.572 7.997 Start of MODEL 9 1 1H GLY 55 HT1 GLY 55 2.114 12.743 -12.087 2 2H GLY 55 HT2 GLY 55 3.433 13.689 -11.612 3 3H GLY 55 HT3 GLY 55 1.861 14.295 -11.461 4 1HA GLY 55 HA1 GLY 55 2.671 13.623 -9.307 5 2HA GLY 55 HA2 GLY 55 1.334 12.603 -9.815 6 HA PRO 56 HA PRO 56 5.087 9.926 -9.016 7 1HB PRO 56 HB2 PRO 56 5.079 9.515 -6.369 8 2HB PRO 56 HB1 PRO 56 5.833 10.944 -7.081 9 1HG PRO 56 HG2 PRO 56 3.300 10.703 -5.575 10 2HG PRO 56 HG1 PRO 56 4.374 12.090 -5.749 11 1HD PRO 56 HD2 PRO 56 1.955 11.567 -7.174 12 2HD PRO 56 HD1 PRO 56 3.076 12.924 -7.405 13 H GLU 57 HN GLU 57 2.430 9.558 -6.695 14 HA GLU 57 HA GLU 57 1.249 7.733 -6.041 15 1HB GLU 57 HB2 GLU 57 0.321 8.662 -8.333 16 2HB GLU 57 HB1 GLU 57 0.830 7.085 -8.924 17 1HG GLU 57 HG2 GLU 57 -0.746 5.963 -7.711 18 2HG GLU 57 HG1 GLU 57 -0.827 7.204 -6.461 19 H ALA 58 HN ALA 58 4.067 7.179 -6.367 20 HA ALA 58 HA ALA 58 4.013 4.384 -7.288 21 1HB ALA 58 HB1 ALA 58 6.361 4.512 -7.617 22 2HB ALA 58 HB2 ALA 58 6.466 6.046 -6.753 23 3HB ALA 58 HB3 ALA 58 5.667 5.971 -8.324 24 H SER 59 HN SER 59 5.617 6.346 -4.771 25 HA SER 59 HA SER 59 6.284 4.196 -3.105 26 1HB SER 59 HB2 SER 59 5.776 7.088 -2.362 27 2HB SER 59 HB1 SER 59 6.593 5.903 -1.343 28 HG SER 59 HG SER 59 7.445 6.861 -3.875 29 H ALA 60 HN ALA 60 3.343 6.054 -3.425 30 HA ALA 60 HA ALA 60 2.144 5.119 -1.000 31 1HB ALA 60 HB1 ALA 60 1.606 7.221 -2.494 32 2HB ALA 60 HB2 ALA 60 0.351 6.432 -1.538 33 3HB ALA 60 HB3 ALA 60 0.484 6.101 -3.265 34 H PHE 61 HN PHE 61 1.882 4.232 -4.424 35 HA PHE 61 HA PHE 61 -0.144 2.317 -4.158 36 1HB PHE 61 HB2 PHE 61 0.588 3.220 -6.323 37 2HB PHE 61 HB1 PHE 61 2.127 2.384 -6.155 38 HD1 PHE 61 HD1 PHE 61 -1.251 1.086 -5.346 39 HD2 PHE 61 HD2 PHE 61 2.094 0.920 -7.971 40 HE1 PHE 61 HE1 PHE 61 -2.213 -0.896 -6.440 41 HE2 PHE 61 HE2 PHE 61 1.138 -1.062 -9.071 42 HZ PHE 61 HZ PHE 61 -1.019 -1.973 -8.306 43 H THR 62 HN THR 62 3.296 2.148 -3.592 44 HA THR 62 HA THR 62 3.296 -0.729 -3.312 45 HB THR 62 HB THR 62 5.286 0.363 -4.186 46 HG1 THR 62 HG1 THR 62 6.573 -0.928 -3.126 47 1HG2 THR 62 HG21 THR 62 6.730 1.715 -2.720 48 2HG2 THR 62 HG22 THR 62 5.427 1.771 -1.533 49 3HG2 THR 62 HG23 THR 62 5.207 2.511 -3.119 50 H LYS 63 HN LYS 63 1.976 1.550 -1.456 51 HA LYS 63 HA LYS 63 2.738 0.214 1.059 52 1HB LYS 63 HB2 LYS 63 2.830 2.955 0.403 53 2HB LYS 63 HB1 LYS 63 1.461 2.760 1.498 54 1HG LYS 63 HG2 LYS 63 3.536 3.300 2.681 55 2HG LYS 63 HG1 LYS 63 2.889 1.728 3.153 56 1HD LYS 63 HD2 LYS 63 4.761 1.607 0.910 57 2HD LYS 63 HD1 LYS 63 5.477 2.222 2.400 58 1HE LYS 63 HE2 LYS 63 5.339 0.229 3.437 59 2HE LYS 63 HE1 LYS 63 3.764 -0.139 2.736 60 1HZ LYS 63 HZ1 LYS 63 6.022 -0.170 0.904 61 2HZ LYS 63 HZ2 LYS 63 4.690 -1.208 0.999 62 3HZ LYS 63 HZ3 LYS 63 5.992 -1.406 2.059 63 H LYS 64 HN LYS 64 0.062 1.990 -0.493 64 HA LYS 64 HA LYS 64 -1.961 1.210 1.241 65 1HB LYS 64 HB2 LYS 64 -3.496 1.847 -0.513 66 2HB LYS 64 HB1 LYS 64 -2.157 2.981 -0.479 67 1HG LYS 64 HG2 LYS 64 -1.151 1.894 -2.397 68 2HG LYS 64 HG1 LYS 64 -2.441 0.689 -2.411 69 1HD LYS 64 HD2 LYS 64 -3.148 2.187 -4.029 70 2HD LYS 64 HD1 LYS 64 -4.013 2.747 -2.596 71 1HE LYS 64 HE2 LYS 64 -2.137 4.373 -2.223 72 2HE LYS 64 HE1 LYS 64 -1.506 3.904 -3.801 73 1HZ LYS 64 HZ1 LYS 64 -4.245 4.964 -3.387 74 2HZ LYS 64 HZ2 LYS 64 -3.446 4.727 -4.859 75 3HZ LYS 64 HZ3 LYS 64 -2.921 5.936 -3.798 76 H MET 65 HN MET 65 -0.671 -0.400 -1.628 77 HA MET 65 HA MET 65 -2.578 -2.446 -1.828 78 1HB MET 65 HB2 MET 65 -0.972 -1.981 -3.600 79 2HB MET 65 HB1 MET 65 0.356 -2.475 -2.560 80 1HG MET 65 HG2 MET 65 -1.830 -4.417 -3.082 81 2HG MET 65 HG1 MET 65 -0.666 -4.091 -4.365 82 1HE MET 65 HE1 MET 65 -1.754 -5.840 -1.592 83 2HE MET 65 HE2 MET 65 -0.405 -6.417 -0.613 84 3HE MET 65 HE3 MET 65 -0.820 -7.240 -2.117 85 H VAL 66 HN VAL 66 0.548 -2.365 -0.140 86 HA VAL 66 HA VAL 66 0.441 -4.961 0.928 87 HB VAL 66 HB VAL 66 1.683 -2.709 2.475 88 1HG1 VAL 66 HG11 VAL 66 1.676 -5.189 3.149 89 2HG1 VAL 66 HG12 VAL 66 3.205 -4.311 3.210 90 3HG1 VAL 66 HG13 VAL 66 2.863 -5.394 1.861 91 1HG2 VAL 66 HG21 VAL 66 2.554 -3.746 -0.198 92 2HG2 VAL 66 HG22 VAL 66 3.732 -3.139 0.967 93 3HG2 VAL 66 HG23 VAL 66 2.452 -2.080 0.374 94 H GLU 67 HN GLU 67 -0.977 -1.939 1.914 95 HA GLU 67 HA GLU 67 -1.858 -2.899 4.483 96 1HB GLU 67 HB2 GLU 67 -1.334 -0.547 4.219 97 2HB GLU 67 HB1 GLU 67 -2.503 -0.397 2.916 98 1HG GLU 67 HG2 GLU 67 -4.325 -0.581 4.371 99 2HG GLU 67 HG1 GLU 67 -3.324 -1.225 5.678 100 H ASN 68 HN ASN 68 -3.103 -2.738 1.234 101 HA ASN 68 HA ASN 68 -5.846 -2.909 1.733 102 1HB ASN 68 HB2 ASN 68 -4.053 -3.464 -0.532 103 2HB ASN 68 HB1 ASN 68 -5.547 -4.396 -0.547 104 1HD2 ASN 68 HD21 ASN 68 -4.096 -1.374 -1.090 105 2HD2 ASN 68 HD22 ASN 68 -5.527 -0.494 -1.496 106 H ALA 69 HN ALA 69 -3.337 -5.307 1.963 107 HA ALA 69 HA ALA 69 -5.276 -7.189 3.068 108 1HB ALA 69 HB1 ALA 69 -3.571 -7.703 0.664 109 2HB ALA 69 HB2 ALA 69 -5.274 -8.078 0.930 110 3HB ALA 69 HB3 ALA 69 -4.025 -9.027 1.737 111 H LYS 70 HN LYS 70 -3.263 -5.548 4.282 112 HA LYS 70 HA LYS 70 -0.875 -6.916 4.817 113 1HB LYS 70 HB2 LYS 70 -1.183 -4.551 5.350 114 2HB LYS 70 HB1 LYS 70 -2.394 -4.963 6.555 115 1HG LYS 70 HG2 LYS 70 -0.339 -4.471 7.668 116 2HG LYS 70 HG1 LYS 70 -0.653 -6.201 7.811 117 1HD LYS 70 HD2 LYS 70 0.806 -6.097 5.512 118 2HD LYS 70 HD1 LYS 70 1.522 -4.780 6.445 119 1HE LYS 70 HE2 LYS 70 2.422 -6.177 7.973 120 2HE LYS 70 HE1 LYS 70 1.047 -7.279 7.928 121 1HZ LYS 70 HZ1 LYS 70 2.793 -8.485 7.010 122 2HZ LYS 70 HZ2 LYS 70 3.377 -7.174 6.116 123 3HZ LYS 70 HZ3 LYS 70 1.943 -7.941 5.652 124 H LYS 71 HN LYS 71 -4.082 -7.510 5.878 125 HA LYS 71 HA LYS 71 -4.973 -9.180 7.145 126 1HB LYS 71 HB2 LYS 71 -2.191 -10.215 7.662 127 2HB LYS 71 HB1 LYS 71 -3.704 -11.110 7.677 128 1HG LYS 71 HG2 LYS 71 -2.318 -9.960 5.265 129 2HG LYS 71 HG1 LYS 71 -2.453 -11.665 5.701 130 1HD LYS 71 HD2 LYS 71 -5.061 -10.932 5.692 131 2HD LYS 71 HD1 LYS 71 -4.415 -9.867 4.442 132 1HE LYS 71 HE2 LYS 71 -3.924 -11.587 3.038 133 2HE LYS 71 HE1 LYS 71 -3.584 -12.708 4.355 134 1HZ LYS 71 HZ1 LYS 71 -5.560 -13.430 3.305 135 2HZ LYS 71 HZ2 LYS 71 -6.241 -11.882 3.332 136 3HZ LYS 71 HZ3 LYS 71 -6.032 -12.738 4.775 137 H ILE 72 HN ILE 72 -4.207 -6.647 8.241 138 HA ILE 72 HA ILE 72 -3.361 -7.307 10.969 139 HB ILE 72 HB ILE 72 -3.328 -4.797 11.265 140 1HG1 ILE 72 HG12 ILE 72 -3.441 -4.749 8.247 141 2HG1 ILE 72 HG11 ILE 72 -4.850 -4.420 9.259 142 1HG2 ILE 72 HG21 ILE 72 -1.303 -4.682 9.493 143 2HG2 ILE 72 HG22 ILE 72 -1.534 -6.428 9.592 144 3HG2 ILE 72 HG23 ILE 72 -1.196 -5.499 11.053 145 1HD1 ILE 72 HD11 ILE 72 -2.639 -2.830 10.134 146 2HD1 ILE 72 HD12 ILE 72 -4.213 -2.322 9.522 147 3HD1 ILE 72 HD13 ILE 72 -2.885 -2.621 8.401 Start of MODEL 10 1 1H GLY 55 HT1 GLY 55 1.381 12.530 -11.741 2 2H GLY 55 HT2 GLY 55 -0.200 12.950 -11.314 3 3H GLY 55 HT3 GLY 55 0.183 11.338 -11.655 4 1HA GLY 55 HA1 GLY 55 1.091 12.942 -9.331 5 2HA GLY 55 HA2 GLY 55 -0.001 11.566 -9.299 6 HA PRO 56 HA PRO 56 4.291 9.927 -8.752 7 1HB PRO 56 HB2 PRO 56 4.343 9.483 -6.110 8 2HB PRO 56 HB1 PRO 56 4.674 11.080 -6.788 9 1HG PRO 56 HG2 PRO 56 2.282 10.102 -5.350 10 2HG PRO 56 HG1 PRO 56 2.920 11.740 -5.481 11 1HD PRO 56 HD2 PRO 56 0.782 10.576 -6.974 12 2HD PRO 56 HD1 PRO 56 1.475 12.199 -7.161 13 H GLU 57 HN GLU 57 1.799 8.777 -6.504 14 HA GLU 57 HA GLU 57 1.173 6.680 -5.902 15 1HB GLU 57 HB2 GLU 57 0.069 7.348 -8.206 16 2HB GLU 57 HB1 GLU 57 1.019 5.991 -8.801 17 1HG GLU 57 HG2 GLU 57 -0.295 4.467 -7.813 18 2HG GLU 57 HG1 GLU 57 -0.521 5.447 -6.365 19 H ALA 58 HN ALA 58 4.036 6.952 -6.149 20 HA ALA 58 HA ALA 58 4.821 4.302 -7.150 21 1HB ALA 58 HB1 ALA 58 7.179 5.317 -6.780 22 2HB ALA 58 HB2 ALA 58 6.319 6.856 -6.735 23 3HB ALA 58 HB3 ALA 58 6.224 5.834 -8.169 24 H SER 59 HN SER 59 6.124 6.391 -4.582 25 HA SER 59 HA SER 59 6.876 4.217 -2.944 26 1HB SER 59 HB2 SER 59 6.747 7.181 -2.618 27 2HB SER 59 HB1 SER 59 6.908 6.193 -1.166 28 HG SER 59 HG SER 59 8.952 6.271 -1.685 29 H ALA 60 HN ALA 60 3.975 6.151 -3.156 30 HA ALA 60 HA ALA 60 2.871 5.203 -0.674 31 1HB ALA 60 HB1 ALA 60 1.824 6.869 -2.934 32 2HB ALA 60 HB2 ALA 60 2.104 7.322 -1.253 33 3HB ALA 60 HB3 ALA 60 0.749 6.273 -1.670 34 H PHE 61 HN PHE 61 2.306 4.556 -4.121 35 HA PHE 61 HA PHE 61 0.200 2.747 -3.839 36 1HB PHE 61 HB2 PHE 61 0.887 3.717 -5.993 37 2HB PHE 61 HB1 PHE 61 2.366 2.766 -5.951 38 HD1 PHE 61 HD1 PHE 61 -1.033 1.640 -4.999 39 HD2 PHE 61 HD2 PHE 61 2.113 1.436 -7.859 40 HE1 PHE 61 HE1 PHE 61 -2.192 -0.208 -6.137 41 HE2 PHE 61 HE2 PHE 61 0.958 -0.411 -9.002 42 HZ PHE 61 HZ PHE 61 -1.197 -1.235 -8.142 43 H THR 62 HN THR 62 3.642 2.327 -3.450 44 HA THR 62 HA THR 62 3.517 -0.547 -3.380 45 HB THR 62 HB THR 62 5.548 0.627 -4.123 46 HG1 THR 62 HG1 THR 62 6.012 -0.795 -1.716 47 1HG2 THR 62 HG21 THR 62 5.549 1.693 -1.330 48 2HG2 THR 62 HG22 THR 62 5.768 2.555 -2.854 49 3HG2 THR 62 HG23 THR 62 7.046 1.504 -2.243 50 H LYS 63 HN LYS 63 2.388 1.705 -1.292 51 HA LYS 63 HA LYS 63 2.998 0.054 1.072 52 1HB LYS 63 HB2 LYS 63 3.452 2.756 0.738 53 2HB LYS 63 HB1 LYS 63 1.917 2.721 1.606 54 1HG LYS 63 HG2 LYS 63 4.228 1.084 2.563 55 2HG LYS 63 HG1 LYS 63 4.135 2.807 2.932 56 1HD LYS 63 HD2 LYS 63 2.371 2.547 4.342 57 2HD LYS 63 HD1 LYS 63 1.698 1.198 3.424 58 1HE LYS 63 HE2 LYS 63 3.473 -0.259 4.303 59 2HE LYS 63 HE1 LYS 63 4.098 1.091 5.249 60 1HZ LYS 63 HZ1 LYS 63 1.365 -0.033 5.530 61 2HZ LYS 63 HZ2 LYS 63 2.068 1.162 6.498 62 3HZ LYS 63 HZ3 LYS 63 2.669 -0.418 6.538 63 H LYS 64 HN LYS 64 0.477 2.118 -0.372 64 HA LYS 64 HA LYS 64 -1.614 1.368 1.309 65 1HB LYS 64 HB2 LYS 64 -3.057 2.005 -0.717 66 2HB LYS 64 HB1 LYS 64 -2.012 3.241 -0.039 67 1HG LYS 64 HG2 LYS 64 -0.736 3.364 -1.888 68 2HG LYS 64 HG1 LYS 64 -0.839 1.631 -2.205 69 1HD LYS 64 HD2 LYS 64 -2.561 1.888 -3.613 70 2HD LYS 64 HD1 LYS 64 -3.393 3.000 -2.525 71 1HE LYS 64 HE2 LYS 64 -1.536 4.672 -3.310 72 2HE LYS 64 HE1 LYS 64 -1.413 3.573 -4.683 73 1HZ LYS 64 HZ1 LYS 64 -3.465 4.136 -5.438 74 2HZ LYS 64 HZ2 LYS 64 -3.070 5.595 -4.680 75 3HZ LYS 64 HZ3 LYS 64 -4.079 4.485 -3.900 76 H MET 65 HN MET 65 -0.310 -0.175 -1.567 77 HA MET 65 HA MET 65 -2.388 -2.031 -1.986 78 1HB MET 65 HB2 MET 65 -0.678 -1.574 -3.669 79 2HB MET 65 HB1 MET 65 0.558 -2.261 -2.627 80 1HG MET 65 HG2 MET 65 -1.753 -3.980 -3.300 81 2HG MET 65 HG1 MET 65 -0.601 -3.628 -4.587 82 1HE MET 65 HE1 MET 65 -1.737 -5.469 -1.898 83 2HE MET 65 HE2 MET 65 -0.401 -6.011 -0.881 84 3HE MET 65 HE3 MET 65 -0.838 -6.926 -2.324 85 H VAL 66 HN VAL 66 0.708 -2.344 -0.259 86 HA VAL 66 HA VAL 66 0.325 -4.969 0.664 87 HB VAL 66 HB VAL 66 1.770 -2.939 2.338 88 1HG1 VAL 66 HG11 VAL 66 2.646 -5.710 1.592 89 2HG1 VAL 66 HG12 VAL 66 1.510 -5.418 2.909 90 3HG1 VAL 66 HG13 VAL 66 3.132 -4.730 2.975 91 1HG2 VAL 66 HG21 VAL 66 2.564 -3.923 -0.378 92 2HG2 VAL 66 HG22 VAL 66 3.783 -3.501 0.825 93 3HG2 VAL 66 HG23 VAL 66 2.626 -2.287 0.278 94 H GLU 67 HN GLU 67 -0.751 -1.865 1.835 95 HA GLU 67 HA GLU 67 -1.768 -2.864 4.331 96 1HB GLU 67 HB2 GLU 67 -1.015 -0.562 4.184 97 2HB GLU 67 HB1 GLU 67 -2.153 -0.237 2.886 98 1HG GLU 67 HG2 GLU 67 -3.934 -0.083 4.292 99 2HG GLU 67 HG1 GLU 67 -3.246 -1.212 5.465 100 H ASN 68 HN ASN 68 -2.938 -2.474 1.084 101 HA ASN 68 HA ASN 68 -5.689 -2.350 1.505 102 1HB ASN 68 HB2 ASN 68 -4.087 -2.439 -0.694 103 2HB ASN 68 HB1 ASN 68 -4.822 -4.038 -0.755 104 1HD2 ASN 68 HD21 ASN 68 -5.336 -0.635 -1.022 105 2HD2 ASN 68 HD22 ASN 68 -6.958 -0.712 -1.610 106 H ALA 69 HN ALA 69 -3.483 -5.034 1.765 107 HA ALA 69 HA ALA 69 -5.611 -6.656 2.904 108 1HB ALA 69 HB1 ALA 69 -4.259 -7.266 0.335 109 2HB ALA 69 HB2 ALA 69 -5.907 -7.612 0.860 110 3HB ALA 69 HB3 ALA 69 -4.570 -8.607 1.437 111 H LYS 70 HN LYS 70 -3.384 -5.374 4.086 112 HA LYS 70 HA LYS 70 -1.150 -7.034 4.430 113 1HB LYS 70 HB2 LYS 70 -1.269 -4.635 5.084 114 2HB LYS 70 HB1 LYS 70 -2.307 -5.086 6.429 115 1HG LYS 70 HG2 LYS 70 -0.598 -6.023 7.619 116 2HG LYS 70 HG1 LYS 70 0.333 -6.426 6.174 117 1HD LYS 70 HD2 LYS 70 1.420 -4.641 7.417 118 2HD LYS 70 HD1 LYS 70 0.848 -4.045 5.858 119 1HE LYS 70 HE2 LYS 70 -1.282 -3.391 7.230 120 2HE LYS 70 HE1 LYS 70 -0.180 -3.481 8.603 121 1HZ LYS 70 HZ1 LYS 70 0.429 -1.874 6.192 122 2HZ LYS 70 HZ2 LYS 70 1.156 -1.787 7.717 123 3HZ LYS 70 HZ3 LYS 70 -0.431 -1.241 7.505 124 H LYS 71 HN LYS 71 -4.352 -7.313 5.621 125 HA LYS 71 HA LYS 71 -5.374 -8.922 6.865 126 1HB LYS 71 HB2 LYS 71 -2.718 -10.313 7.162 127 2HB LYS 71 HB1 LYS 71 -4.327 -11.018 7.225 128 1HG LYS 71 HG2 LYS 71 -2.940 -9.911 4.794 129 2HG LYS 71 HG1 LYS 71 -3.264 -11.608 5.152 130 1HD LYS 71 HD2 LYS 71 -5.757 -10.640 5.323 131 2HD LYS 71 HD1 LYS 71 -5.080 -9.489 4.170 132 1HE LYS 71 HE2 LYS 71 -4.466 -12.327 3.663 133 2HE LYS 71 HE1 LYS 71 -6.158 -11.866 3.479 134 1HZ LYS 71 HZ1 LYS 71 -3.947 -10.384 2.178 135 2HZ LYS 71 HZ2 LYS 71 -5.602 -10.287 1.842 136 3HZ LYS 71 HZ3 LYS 71 -4.738 -11.683 1.434 137 H ILE 72 HN ILE 72 -4.444 -6.586 8.080 138 HA ILE 72 HA ILE 72 -3.499 -7.498 10.712 139 HB ILE 72 HB ILE 72 -3.127 -5.026 11.131 140 1HG1 ILE 72 HG12 ILE 72 -3.347 -4.846 8.120 141 2HG1 ILE 72 HG11 ILE 72 -4.620 -4.314 9.223 142 1HG2 ILE 72 HG21 ILE 72 -1.101 -5.037 9.456 143 2HG2 ILE 72 HG22 ILE 72 -1.606 -6.708 9.204 144 3HG2 ILE 72 HG23 ILE 72 -1.161 -6.155 10.819 145 1HD1 ILE 72 HD11 ILE 72 -3.453 -2.483 9.898 146 2HD1 ILE 72 HD12 ILE 72 -2.828 -2.647 8.257 147 3HD1 ILE 72 HD13 ILE 72 -1.883 -3.239 9.623 Start of MODEL 11 1 1H GLY 55 HT1 GLY 55 2.777 13.585 -11.649 2 2H GLY 55 HT2 GLY 55 4.443 13.525 -11.365 3 3H GLY 55 HT3 GLY 55 3.560 14.900 -10.929 4 1HA GLY 55 HA1 GLY 55 3.581 13.989 -8.893 5 2HA GLY 55 HA2 GLY 55 2.226 13.078 -9.543 6 HA PRO 56 HA PRO 56 5.587 10.071 -8.407 7 1HB PRO 56 HB2 PRO 56 4.905 9.346 -5.919 8 2HB PRO 56 HB1 PRO 56 5.854 10.802 -6.232 9 1HG PRO 56 HG2 PRO 56 3.019 10.536 -5.435 10 2HG PRO 56 HG1 PRO 56 4.143 11.866 -5.157 11 1HD PRO 56 HD2 PRO 56 2.142 11.666 -7.186 12 2HD PRO 56 HD1 PRO 56 3.325 12.970 -6.955 13 H GLU 57 HN GLU 57 2.424 9.588 -6.874 14 HA GLU 57 HA GLU 57 1.065 7.774 -6.774 15 1HB GLU 57 HB2 GLU 57 0.767 9.026 -9.080 16 2HB GLU 57 HB1 GLU 57 1.361 7.503 -9.731 17 1HG GLU 57 HG2 GLU 57 -0.477 6.311 -8.962 18 2HG GLU 57 HG1 GLU 57 -0.911 7.552 -7.788 19 H ALA 58 HN ALA 58 3.758 7.032 -6.336 20 HA ALA 58 HA ALA 58 3.704 4.288 -7.396 21 1HB ALA 58 HB1 ALA 58 5.495 6.020 -8.326 22 2HB ALA 58 HB2 ALA 58 5.873 4.315 -8.076 23 3HB ALA 58 HB3 ALA 58 6.353 5.511 -6.871 24 H SER 59 HN SER 59 5.248 6.377 -4.953 25 HA SER 59 HA SER 59 5.977 4.327 -3.190 26 1HB SER 59 HB2 SER 59 5.346 7.235 -2.634 27 2HB SER 59 HB1 SER 59 6.097 6.140 -1.474 28 HG SER 59 HG SER 59 7.608 7.423 -2.685 29 H ALA 60 HN ALA 60 2.959 6.026 -3.646 30 HA ALA 60 HA ALA 60 1.750 5.122 -1.214 31 1HB ALA 60 HB1 ALA 60 0.722 6.464 -3.688 32 2HB ALA 60 HB2 ALA 60 0.817 7.087 -2.041 33 3HB ALA 60 HB3 ALA 60 -0.383 5.862 -2.452 34 H PHE 61 HN PHE 61 1.611 4.102 -4.608 35 HA PHE 61 HA PHE 61 -0.329 2.103 -4.317 36 1HB PHE 61 HB2 PHE 61 0.412 2.964 -6.497 37 2HB PHE 61 HB1 PHE 61 1.983 2.208 -6.264 38 HD1 PHE 61 HD1 PHE 61 -1.348 0.780 -5.483 39 HD2 PHE 61 HD2 PHE 61 2.062 0.682 -8.027 40 HE1 PHE 61 HE1 PHE 61 -2.191 -1.283 -6.525 41 HE2 PHE 61 HE2 PHE 61 1.225 -1.381 -9.075 42 HZ PHE 61 HZ PHE 61 -0.904 -2.366 -8.324 43 H THR 62 HN THR 62 3.100 2.120 -3.666 44 HA THR 62 HA THR 62 3.230 -0.742 -3.285 45 HB THR 62 HB THR 62 5.187 0.417 -4.148 46 HG1 THR 62 HG1 THR 62 5.681 -0.446 -1.494 47 1HG2 THR 62 HG21 THR 62 6.528 1.882 -2.687 48 2HG2 THR 62 HG22 THR 62 5.185 1.919 -1.544 49 3HG2 THR 62 HG23 THR 62 4.984 2.592 -3.162 50 H LYS 63 HN LYS 63 1.756 1.532 -1.541 51 HA LYS 63 HA LYS 63 2.515 0.318 1.035 52 1HB LYS 63 HB2 LYS 63 2.507 3.034 0.292 53 2HB LYS 63 HB1 LYS 63 1.109 2.819 1.345 54 1HG LYS 63 HG2 LYS 63 3.729 1.684 2.188 55 2HG LYS 63 HG1 LYS 63 3.464 3.424 2.321 56 1HD LYS 63 HD2 LYS 63 1.938 3.200 3.983 57 2HD LYS 63 HD1 LYS 63 1.305 1.682 3.343 58 1HE LYS 63 HE2 LYS 63 3.329 0.531 4.152 59 2HE LYS 63 HE1 LYS 63 3.895 2.050 4.845 60 1HZ LYS 63 HZ1 LYS 63 2.891 1.004 6.622 61 2HZ LYS 63 HZ2 LYS 63 1.633 0.363 5.691 62 3HZ LYS 63 HZ3 LYS 63 1.649 2.012 6.068 63 H LYS 64 HN LYS 64 -0.199 1.905 -0.650 64 HA LYS 64 HA LYS 64 -2.228 1.089 1.064 65 1HB LYS 64 HB2 LYS 64 -3.745 1.589 -0.753 66 2HB LYS 64 HB1 LYS 64 -2.471 2.795 -0.710 67 1HG LYS 64 HG2 LYS 64 -1.346 1.711 -2.564 68 2HG LYS 64 HG1 LYS 64 -2.571 0.441 -2.585 69 1HD LYS 64 HD2 LYS 64 -3.349 1.828 -4.246 70 2HD LYS 64 HD1 LYS 64 -4.221 2.459 -2.847 71 1HE LYS 64 HE2 LYS 64 -1.614 3.572 -3.873 72 2HE LYS 64 HE1 LYS 64 -3.201 4.215 -4.292 73 1HZ LYS 64 HZ1 LYS 64 -1.739 4.371 -1.765 74 2HZ LYS 64 HZ2 LYS 64 -3.425 4.270 -1.686 75 3HZ LYS 64 HZ3 LYS 64 -2.694 5.537 -2.535 76 H MET 65 HN MET 65 -0.774 -0.554 -1.702 77 HA MET 65 HA MET 65 -2.582 -2.687 -1.900 78 1HB MET 65 HB2 MET 65 -0.924 -2.210 -3.622 79 2HB MET 65 HB1 MET 65 0.377 -2.622 -2.516 80 1HG MET 65 HG2 MET 65 -1.706 -4.667 -3.037 81 2HG MET 65 HG1 MET 65 -0.538 -4.326 -4.312 82 1HE MET 65 HE1 MET 65 -1.594 -6.021 -1.499 83 2HE MET 65 HE2 MET 65 -0.248 -6.417 -0.431 84 3HE MET 65 HE3 MET 65 -0.557 -7.400 -1.863 85 H VAL 66 HN VAL 66 0.487 -2.438 -0.120 86 HA VAL 66 HA VAL 66 0.432 -4.992 1.042 87 HB VAL 66 HB VAL 66 1.541 -2.641 2.542 88 1HG1 VAL 66 HG11 VAL 66 3.428 -4.487 2.694 89 2HG1 VAL 66 HG12 VAL 66 2.072 -5.555 2.332 90 3HG1 VAL 66 HG13 VAL 66 2.018 -4.512 3.753 91 1HG2 VAL 66 HG21 VAL 66 3.655 -3.057 1.121 92 2HG2 VAL 66 HG22 VAL 66 2.361 -2.067 0.444 93 3HG2 VAL 66 HG23 VAL 66 2.538 -3.749 -0.057 94 H GLU 67 HN GLU 67 -1.098 -1.979 1.893 95 HA GLU 67 HA GLU 67 -2.038 -2.882 4.458 96 1HB GLU 67 HB2 GLU 67 -1.591 -0.523 4.121 97 2HB GLU 67 HB1 GLU 67 -2.721 -0.464 2.779 98 1HG GLU 67 HG2 GLU 67 -4.559 -0.477 4.139 99 2HG GLU 67 HG1 GLU 67 -3.722 -1.328 5.443 100 H ASN 68 HN ASN 68 -3.160 -2.927 1.170 101 HA ASN 68 HA ASN 68 -5.914 -3.143 1.543 102 1HB ASN 68 HB2 ASN 68 -4.167 -3.297 -0.611 103 2HB ASN 68 HB1 ASN 68 -4.925 -4.886 -0.574 104 1HD2 ASN 68 HD21 ASN 68 -5.453 -1.463 -0.921 105 2HD2 ASN 68 HD22 ASN 68 -7.037 -1.574 -1.602 106 H ALA 69 HN ALA 69 -3.370 -5.475 2.030 107 HA ALA 69 HA ALA 69 -5.302 -7.296 3.235 108 1HB ALA 69 HB1 ALA 69 -3.589 -7.964 0.875 109 2HB ALA 69 HB2 ALA 69 -5.292 -8.325 1.160 110 3HB ALA 69 HB3 ALA 69 -4.043 -9.214 2.033 111 H LYS 70 HN LYS 70 -3.343 -5.584 4.382 112 HA LYS 70 HA LYS 70 -0.927 -6.873 4.994 113 1HB LYS 70 HB2 LYS 70 -1.310 -4.483 5.394 114 2HB LYS 70 HB1 LYS 70 -2.484 -4.873 6.643 115 1HG LYS 70 HG2 LYS 70 0.202 -6.044 6.973 116 2HG LYS 70 HG1 LYS 70 0.079 -4.293 7.148 117 1HD LYS 70 HD2 LYS 70 -1.961 -5.927 8.540 118 2HD LYS 70 HD1 LYS 70 -0.317 -5.988 9.178 119 1HE LYS 70 HE2 LYS 70 -1.807 -3.428 8.631 120 2HE LYS 70 HE1 LYS 70 -1.791 -4.233 10.199 121 1HZ LYS 70 HZ1 LYS 70 0.317 -3.598 10.602 122 2HZ LYS 70 HZ2 LYS 70 -0.042 -2.367 9.500 123 3HZ LYS 70 HZ3 LYS 70 0.805 -3.738 8.988 124 H LYS 71 HN LYS 71 -4.126 -7.487 6.059 125 HA LYS 71 HA LYS 71 -4.992 -9.091 7.421 126 1HB LYS 71 HB2 LYS 71 -2.193 -10.060 7.976 127 2HB LYS 71 HB1 LYS 71 -3.693 -10.975 8.045 128 1HG LYS 71 HG2 LYS 71 -2.337 -9.927 5.570 129 2HG LYS 71 HG1 LYS 71 -2.445 -11.610 6.092 130 1HD LYS 71 HD2 LYS 71 -5.064 -10.917 6.063 131 2HD LYS 71 HD1 LYS 71 -4.440 -9.907 4.757 132 1HE LYS 71 HE2 LYS 71 -4.116 -12.895 5.009 133 2HE LYS 71 HE1 LYS 71 -5.211 -12.059 3.909 134 1HZ LYS 71 HZ1 LYS 71 -2.292 -11.589 3.849 135 2HZ LYS 71 HZ2 LYS 71 -3.437 -11.249 2.651 136 3HZ LYS 71 HZ3 LYS 71 -3.006 -12.852 2.977 137 H ILE 72 HN ILE 72 -4.374 -6.522 8.404 138 HA ILE 72 HA ILE 72 -3.996 -5.308 10.310 139 HB ILE 72 HB ILE 72 -5.208 -6.128 12.277 140 1HG1 ILE 72 HG12 ILE 72 -5.709 -8.648 10.680 141 2HG1 ILE 72 HG11 ILE 72 -4.525 -8.532 11.984 142 1HG2 ILE 72 HG21 ILE 72 -6.975 -6.876 10.010 143 2HG2 ILE 72 HG22 ILE 72 -6.272 -5.259 10.021 144 3HG2 ILE 72 HG23 ILE 72 -7.274 -5.794 11.370 145 1HD1 ILE 72 HD11 ILE 72 -7.056 -9.373 12.311 146 2HD1 ILE 72 HD12 ILE 72 -7.247 -7.656 12.663 147 3HD1 ILE 72 HD13 ILE 72 -6.095 -8.622 13.585 Start of MODEL 12 1 1H GLY 55 HT1 GLY 55 1.918 13.918 -9.471 2 2H GLY 55 HT2 GLY 55 1.930 12.253 -9.175 3 3H GLY 55 HT3 GLY 55 1.328 12.845 -10.640 4 1HA GLY 55 HA1 GLY 55 3.342 13.075 -11.564 5 2HA GLY 55 HA2 GLY 55 4.044 13.638 -10.055 6 HA PRO 56 HA PRO 56 5.604 9.535 -9.465 7 1HB PRO 56 HB2 PRO 56 5.753 9.313 -6.799 8 2HB PRO 56 HB1 PRO 56 6.700 10.514 -7.683 9 1HG PRO 56 HG2 PRO 56 4.312 10.880 -5.978 10 2HG PRO 56 HG1 PRO 56 5.612 12.013 -6.346 11 1HD PRO 56 HD2 PRO 56 3.020 11.882 -7.539 12 2HD PRO 56 HD1 PRO 56 4.355 12.972 -7.965 13 H GLU 57 HN GLU 57 3.143 9.856 -6.930 14 HA GLU 57 HA GLU 57 1.698 8.349 -6.040 15 1HB GLU 57 HB2 GLU 57 0.765 9.286 -8.326 16 2HB GLU 57 HB1 GLU 57 0.908 7.603 -8.819 17 1HG GLU 57 HG2 GLU 57 -0.716 6.892 -7.359 18 2HG GLU 57 HG1 GLU 57 -0.486 8.259 -6.270 19 H ALA 58 HN ALA 58 4.318 7.228 -6.527 20 HA ALA 58 HA ALA 58 3.662 4.450 -7.233 21 1HB ALA 58 HB1 ALA 58 5.641 5.892 -8.256 22 2HB ALA 58 HB2 ALA 58 5.790 4.156 -7.985 23 3HB ALA 58 HB3 ALA 58 6.477 5.292 -6.824 24 H SER 59 HN SER 59 5.365 6.399 -4.801 25 HA SER 59 HA SER 59 6.041 4.308 -3.066 26 1HB SER 59 HB2 SER 59 5.351 7.068 -2.085 27 2HB SER 59 HB1 SER 59 6.591 5.964 -1.491 28 HG SER 59 HG SER 59 6.703 7.794 -3.520 29 H ALA 60 HN ALA 60 3.067 6.090 -3.498 30 HA ALA 60 HA ALA 60 1.835 5.188 -1.078 31 1HB ALA 60 HB1 ALA 60 0.981 7.200 -1.918 32 2HB ALA 60 HB2 ALA 60 -0.275 6.011 -2.265 33 3HB ALA 60 HB3 ALA 60 0.808 6.549 -3.548 34 H PHE 61 HN PHE 61 1.675 4.208 -4.482 35 HA PHE 61 HA PHE 61 -0.315 2.255 -4.213 36 1HB PHE 61 HB2 PHE 61 0.450 3.119 -6.384 37 2HB PHE 61 HB1 PHE 61 2.001 2.321 -6.157 38 HD1 PHE 61 HD1 PHE 61 -1.366 0.969 -5.393 39 HD2 PHE 61 HD2 PHE 61 2.043 0.812 -7.936 40 HE1 PHE 61 HE1 PHE 61 -2.258 -1.062 -6.458 41 HE2 PHE 61 HE2 PHE 61 1.157 -1.219 -9.005 42 HZ PHE 61 HZ PHE 61 -0.996 -2.158 -8.266 43 H THR 62 HN THR 62 3.113 2.179 -3.560 44 HA THR 62 HA THR 62 3.171 -0.689 -3.207 45 HB THR 62 HB THR 62 5.158 0.423 -4.057 46 HG1 THR 62 HG1 THR 62 5.577 -0.501 -1.409 47 1HG2 THR 62 HG21 THR 62 5.190 1.914 -1.446 48 2HG2 THR 62 HG22 THR 62 5.003 2.598 -3.060 49 3HG2 THR 62 HG23 THR 62 6.530 1.851 -2.591 50 H LYS 63 HN LYS 63 1.752 1.603 -1.442 51 HA LYS 63 HA LYS 63 2.478 0.346 1.123 52 1HB LYS 63 HB2 LYS 63 2.537 3.069 0.406 53 2HB LYS 63 HB1 LYS 63 1.135 2.877 1.459 54 1HG LYS 63 HG2 LYS 63 3.864 1.848 2.184 55 2HG LYS 63 HG1 LYS 63 3.313 3.477 2.581 56 1HD LYS 63 HD2 LYS 63 1.756 2.726 4.099 57 2HD LYS 63 HD1 LYS 63 1.595 1.153 3.314 58 1HE LYS 63 HE2 LYS 63 3.675 0.410 4.202 59 2HE LYS 63 HE1 LYS 63 4.083 2.030 4.766 60 1HZ LYS 63 HZ1 LYS 63 1.981 1.796 6.181 61 2HZ LYS 63 HZ2 LYS 63 3.360 0.945 6.665 62 3HZ LYS 63 HZ3 LYS 63 2.106 0.138 5.868 63 H LYS 64 HN LYS 64 -0.194 2.017 -0.548 64 HA LYS 64 HA LYS 64 -2.244 1.235 1.157 65 1HB LYS 64 HB2 LYS 64 -3.746 1.790 -0.657 66 2HB LYS 64 HB1 LYS 64 -2.443 2.963 -0.601 67 1HG LYS 64 HG2 LYS 64 -1.332 1.813 -2.452 68 2HG LYS 64 HG1 LYS 64 -2.655 0.646 -2.513 69 1HD LYS 64 HD2 LYS 64 -3.243 2.154 -4.171 70 2HD LYS 64 HD1 LYS 64 -4.158 2.743 -2.781 71 1HE LYS 64 HE2 LYS 64 -2.346 4.365 -2.329 72 2HE LYS 64 HE1 LYS 64 -1.525 3.815 -3.789 73 1HZ LYS 64 HZ1 LYS 64 -3.853 4.392 -4.836 74 2HZ LYS 64 HZ2 LYS 64 -2.666 5.577 -4.619 75 3HZ LYS 64 HZ3 LYS 64 -3.938 5.443 -3.512 76 H MET 65 HN MET 65 -0.831 -0.417 -1.626 77 HA MET 65 HA MET 65 -2.691 -2.503 -1.843 78 1HB MET 65 HB2 MET 65 -1.024 -2.049 -3.563 79 2HB MET 65 HB1 MET 65 0.269 -2.503 -2.463 80 1HG MET 65 HG2 MET 65 -1.865 -4.491 -3.005 81 2HG MET 65 HG1 MET 65 -0.684 -4.167 -4.273 82 1HE MET 65 HE1 MET 65 -1.791 -5.866 -1.479 83 2HE MET 65 HE2 MET 65 -0.454 -6.343 -0.432 84 3HE MET 65 HE3 MET 65 -0.803 -7.266 -1.894 85 H VAL 66 HN VAL 66 0.384 -2.343 -0.063 86 HA VAL 66 HA VAL 66 0.270 -4.908 1.073 87 HB VAL 66 HB VAL 66 1.436 -2.599 2.596 88 1HG1 VAL 66 HG11 VAL 66 2.654 -5.292 2.097 89 2HG1 VAL 66 HG12 VAL 66 1.437 -5.051 3.350 90 3HG1 VAL 66 HG13 VAL 66 2.959 -4.163 3.417 91 1HG2 VAL 66 HG21 VAL 66 2.404 -3.701 -0.017 92 2HG2 VAL 66 HG22 VAL 66 3.538 -3.049 1.167 93 3HG2 VAL 66 HG23 VAL 66 2.267 -2.021 0.503 94 H GLU 67 HN GLU 67 -1.193 -1.870 1.951 95 HA GLU 67 HA GLU 67 -2.149 -2.776 4.509 96 1HB GLU 67 HB2 GLU 67 -1.646 -0.424 4.197 97 2HB GLU 67 HB1 GLU 67 -2.777 -0.325 2.856 98 1HG GLU 67 HG2 GLU 67 -4.623 -0.363 4.228 99 2HG GLU 67 HG1 GLU 67 -3.758 -1.165 5.544 100 H ASN 68 HN ASN 68 -3.277 -2.754 1.222 101 HA ASN 68 HA ASN 68 -6.035 -2.917 1.607 102 1HB ASN 68 HB2 ASN 68 -4.307 -3.056 -0.560 103 2HB ASN 68 HB1 ASN 68 -5.088 -4.634 -0.552 104 1HD2 ASN 68 HD21 ASN 68 -5.555 -1.202 -0.851 105 2HD2 ASN 68 HD22 ASN 68 -7.149 -1.274 -1.514 106 H ALA 69 HN ALA 69 -3.534 -5.311 2.020 107 HA ALA 69 HA ALA 69 -5.432 -7.083 3.306 108 1HB ALA 69 HB1 ALA 69 -5.466 -7.691 0.870 109 2HB ALA 69 HB2 ALA 69 -5.015 -9.001 1.961 110 3HB ALA 69 HB3 ALA 69 -3.774 -8.158 1.034 111 H LYS 70 HN LYS 70 -3.295 -5.563 4.319 112 HA LYS 70 HA LYS 70 -0.883 -6.973 4.576 113 1HB LYS 70 HB2 LYS 70 -1.766 -4.528 5.371 114 2HB LYS 70 HB1 LYS 70 -1.732 -5.379 6.909 115 1HG LYS 70 HG2 LYS 70 0.669 -6.088 6.007 116 2HG LYS 70 HG1 LYS 70 0.491 -4.561 5.140 117 1HD LYS 70 HD2 LYS 70 1.538 -3.973 7.153 118 2HD LYS 70 HD1 LYS 70 -0.160 -3.561 7.403 119 1HE LYS 70 HE2 LYS 70 0.670 -4.672 9.367 120 2HE LYS 70 HE1 LYS 70 -0.471 -5.737 8.546 121 1HZ LYS 70 HZ1 LYS 70 1.924 -6.522 9.374 122 2HZ LYS 70 HZ2 LYS 70 2.323 -6.040 7.803 123 3HZ LYS 70 HZ3 LYS 70 1.133 -7.217 8.049 124 H LYS 71 HN LYS 71 -3.968 -7.544 5.955 125 HA LYS 71 HA LYS 71 -4.746 -9.204 7.304 126 1HB LYS 71 HB2 LYS 71 -1.950 -10.312 7.472 127 2HB LYS 71 HB1 LYS 71 -3.472 -11.173 7.650 128 1HG LYS 71 HG2 LYS 71 -2.346 -10.008 5.113 129 2HG LYS 71 HG1 LYS 71 -2.478 -11.718 5.532 130 1HD LYS 71 HD2 LYS 71 -5.048 -10.917 5.840 131 2HD LYS 71 HD1 LYS 71 -4.521 -9.846 4.540 132 1HE LYS 71 HE2 LYS 71 -4.308 -11.536 3.054 133 2HE LYS 71 HE1 LYS 71 -3.744 -12.677 4.273 134 1HZ LYS 71 HZ1 LYS 71 -6.554 -11.796 4.264 135 2HZ LYS 71 HZ2 LYS 71 -5.886 -13.224 4.877 136 3HZ LYS 71 HZ3 LYS 71 -6.047 -13.015 3.206 137 H ILE 72 HN ILE 72 -3.910 -6.732 8.378 138 HA ILE 72 HA ILE 72 -2.312 -6.952 10.675 139 HB ILE 72 HB ILE 72 -3.551 -4.903 11.461 140 1HG1 ILE 72 HG12 ILE 72 -4.880 -5.023 8.751 141 2HG1 ILE 72 HG11 ILE 72 -5.679 -5.563 10.231 142 1HG2 ILE 72 HG21 ILE 72 -1.498 -4.884 10.038 143 2HG2 ILE 72 HG22 ILE 72 -2.525 -3.461 9.858 144 3HG2 ILE 72 HG23 ILE 72 -2.546 -4.725 8.628 145 1HD1 ILE 72 HD11 ILE 72 -5.098 -2.843 9.269 146 2HD1 ILE 72 HD12 ILE 72 -4.901 -3.116 11.000 147 3HD1 ILE 72 HD13 ILE 72 -6.449 -3.452 10.225 Start of MODEL 13 1 1H GLY 55 HT1 GLY 55 2.776 14.127 -10.470 2 2H GLY 55 HT2 GLY 55 1.531 14.127 -11.615 3 3H GLY 55 HT3 GLY 55 2.812 13.032 -11.759 4 1HA GLY 55 HA1 GLY 55 1.369 12.902 -9.252 5 2HA GLY 55 HA2 GLY 55 0.443 12.434 -10.670 6 HA PRO 56 HA PRO 56 3.885 9.201 -10.167 7 1HB PRO 56 HB2 PRO 56 5.539 9.325 -8.063 8 2HB PRO 56 HB1 PRO 56 5.788 10.326 -9.496 9 1HG PRO 56 HG2 PRO 56 4.802 11.088 -6.815 10 2HG PRO 56 HG1 PRO 56 5.637 12.064 -8.022 11 1HD PRO 56 HD2 PRO 56 2.832 11.966 -7.494 12 2HD PRO 56 HD1 PRO 56 3.664 12.889 -8.762 13 H GLU 57 HN GLU 57 3.316 10.034 -6.766 14 HA GLU 57 HA GLU 57 2.666 8.768 -4.999 15 1HB GLU 57 HB2 GLU 57 0.576 9.459 -6.458 16 2HB GLU 57 HB1 GLU 57 0.439 7.719 -6.685 17 1HG GLU 57 HG2 GLU 57 0.774 7.873 -3.998 18 2HG GLU 57 HG1 GLU 57 -0.105 9.366 -4.324 19 H ALA 58 HN ALA 58 4.553 7.405 -6.713 20 HA ALA 58 HA ALA 58 3.735 4.693 -7.065 21 1HB ALA 58 HB1 ALA 58 5.460 5.449 -8.483 22 2HB ALA 58 HB2 ALA 58 6.225 4.316 -7.368 23 3HB ALA 58 HB3 ALA 58 6.415 6.053 -7.129 24 H SER 59 HN SER 59 5.493 6.457 -4.567 25 HA SER 59 HA SER 59 6.294 4.211 -3.055 26 1HB SER 59 HB2 SER 59 7.142 6.628 -2.884 27 2HB SER 59 HB1 SER 59 5.721 6.930 -1.884 28 HG SER 59 HG SER 59 6.463 5.281 -0.479 29 H ALA 60 HN ALA 60 3.337 6.068 -3.184 30 HA ALA 60 HA ALA 60 2.225 5.020 -0.767 31 1HB ALA 60 HB1 ALA 60 0.498 6.085 -2.948 32 2HB ALA 60 HB2 ALA 60 1.619 7.178 -2.136 33 3HB ALA 60 HB3 ALA 60 0.390 6.323 -1.204 34 H PHE 61 HN PHE 61 1.772 4.309 -4.220 35 HA PHE 61 HA PHE 61 -0.189 2.334 -3.928 36 1HB PHE 61 HB2 PHE 61 0.407 3.389 -6.081 37 2HB PHE 61 HB1 PHE 61 1.941 2.529 -6.067 38 HD1 PHE 61 HD1 PHE 61 -1.351 1.169 -5.063 39 HD2 PHE 61 HD2 PHE 61 1.726 1.224 -8.002 40 HE1 PHE 61 HE1 PHE 61 -2.412 -0.736 -6.203 41 HE2 PHE 61 HE2 PHE 61 0.671 -0.681 -9.147 42 HZ PHE 61 HZ PHE 61 -1.401 -1.663 -8.248 43 H THR 62 HN THR 62 3.281 2.212 -3.589 44 HA THR 62 HA THR 62 3.366 -0.673 -3.494 45 HB THR 62 HB THR 62 5.776 -0.008 -2.566 46 HG1 THR 62 HG1 THR 62 6.236 2.019 -2.770 47 1HG2 THR 62 HG21 THR 62 5.107 0.510 -5.448 48 2HG2 THR 62 HG22 THR 62 5.269 -1.102 -4.750 49 3HG2 THR 62 HG23 THR 62 6.650 -0.006 -4.769 50 H LYS 63 HN LYS 63 2.115 1.465 -1.415 51 HA LYS 63 HA LYS 63 3.007 -0.046 0.953 52 1HB LYS 63 HB2 LYS 63 3.125 2.722 0.504 53 2HB LYS 63 HB1 LYS 63 1.771 2.486 1.609 54 1HG LYS 63 HG2 LYS 63 4.287 1.053 2.229 55 2HG LYS 63 HG1 LYS 63 4.273 2.805 2.444 56 1HD LYS 63 HD2 LYS 63 3.581 2.052 4.520 57 2HD LYS 63 HD1 LYS 63 2.046 2.371 3.710 58 1HE LYS 63 HE2 LYS 63 1.539 0.290 4.410 59 2HE LYS 63 HE1 LYS 63 2.455 -0.195 2.984 60 1HZ LYS 63 HZ1 LYS 63 4.377 -0.563 4.307 61 2HZ LYS 63 HZ2 LYS 63 3.093 -1.356 5.070 62 3HZ LYS 63 HZ3 LYS 63 3.656 0.118 5.678 63 H LYS 64 HN LYS 64 0.267 1.855 -0.315 64 HA LYS 64 HA LYS 64 -1.663 0.944 1.465 65 1HB LYS 64 HB2 LYS 64 -3.289 1.730 -0.146 66 2HB LYS 64 HB1 LYS 64 -1.947 2.859 -0.071 67 1HG LYS 64 HG2 LYS 64 -1.076 1.396 -2.092 68 2HG LYS 64 HG1 LYS 64 -2.800 1.061 -2.269 69 1HD LYS 64 HD2 LYS 64 -2.807 3.758 -1.900 70 2HD LYS 64 HD1 LYS 64 -1.290 3.530 -2.772 71 1HE LYS 64 HE2 LYS 64 -2.971 1.941 -4.198 72 2HE LYS 64 HE1 LYS 64 -4.064 3.225 -3.686 73 1HZ LYS 64 HZ1 LYS 64 -3.257 4.198 -5.537 74 2HZ LYS 64 HZ2 LYS 64 -1.805 3.331 -5.516 75 3HZ LYS 64 HZ3 LYS 64 -2.004 4.670 -4.502 76 H MET 65 HN MET 65 -0.500 -0.447 -1.559 77 HA MET 65 HA MET 65 -2.453 -2.443 -1.856 78 1HB MET 65 HB2 MET 65 -0.909 -1.862 -3.647 79 2HB MET 65 HB1 MET 65 0.451 -2.445 -2.700 80 1HG MET 65 HG2 MET 65 -1.768 -4.332 -3.264 81 2HG MET 65 HG1 MET 65 -0.680 -3.905 -4.584 82 1HE MET 65 HE1 MET 65 -1.621 -5.842 -1.902 83 2HE MET 65 HE2 MET 65 -0.235 -6.283 -0.904 84 3HE MET 65 HE3 MET 65 -0.619 -7.224 -2.346 85 H VAL 66 HN VAL 66 0.754 -2.561 -0.321 86 HA VAL 66 HA VAL 66 0.627 -5.224 0.557 87 HB VAL 66 HB VAL 66 1.999 -3.121 2.203 88 1HG1 VAL 66 HG11 VAL 66 2.314 -5.235 3.115 89 2HG1 VAL 66 HG12 VAL 66 3.768 -4.995 2.146 90 3HG1 VAL 66 HG13 VAL 66 2.457 -6.004 1.534 91 1HG2 VAL 66 HG21 VAL 66 3.964 -3.492 0.572 92 2HG2 VAL 66 HG22 VAL 66 2.688 -2.362 0.117 93 3HG2 VAL 66 HG23 VAL 66 2.717 -3.985 -0.575 94 H GLU 67 HN GLU 67 -0.627 -2.244 1.861 95 HA GLU 67 HA GLU 67 -1.423 -3.378 4.381 96 1HB GLU 67 HB2 GLU 67 -0.856 -1.023 4.263 97 2HB GLU 67 HB1 GLU 67 -2.082 -0.754 3.034 98 1HG GLU 67 HG2 GLU 67 -3.805 -1.415 4.712 99 2HG GLU 67 HG1 GLU 67 -2.521 -1.461 5.926 100 H ASN 68 HN ASN 68 -2.800 -2.992 1.215 101 HA ASN 68 HA ASN 68 -5.525 -3.116 1.816 102 1HB ASN 68 HB2 ASN 68 -4.000 -3.031 -0.491 103 2HB ASN 68 HB1 ASN 68 -4.794 -4.599 -0.594 104 1HD2 ASN 68 HD21 ASN 68 -5.238 -1.157 -0.498 105 2HD2 ASN 68 HD22 ASN 68 -6.886 -1.150 -1.017 106 H ALA 69 HN ALA 69 -3.084 -5.603 1.759 107 HA ALA 69 HA ALA 69 -5.116 -7.539 2.642 108 1HB ALA 69 HB1 ALA 69 -4.418 -9.186 1.217 109 2HB ALA 69 HB2 ALA 69 -2.790 -8.524 1.070 110 3HB ALA 69 HB3 ALA 69 -4.131 -7.769 0.208 111 H LYS 70 HN LYS 70 -3.277 -5.855 4.163 112 HA LYS 70 HA LYS 70 -1.174 -7.583 5.113 113 1HB LYS 70 HB2 LYS 70 -0.852 -5.157 5.053 114 2HB LYS 70 HB1 LYS 70 -2.187 -4.941 6.176 115 1HG LYS 70 HG2 LYS 70 -0.980 -5.712 7.974 116 2HG LYS 70 HG1 LYS 70 0.120 -6.655 6.966 117 1HD LYS 70 HD2 LYS 70 1.546 -4.958 7.373 118 2HD LYS 70 HD1 LYS 70 0.651 -4.154 6.081 119 1HE LYS 70 HE2 LYS 70 -0.692 -2.965 7.634 120 2HE LYS 70 HE1 LYS 70 -0.120 -3.946 8.982 121 1HZ LYS 70 HZ1 LYS 70 1.177 -2.122 9.255 122 2HZ LYS 70 HZ2 LYS 70 1.193 -1.724 7.612 123 3HZ LYS 70 HZ3 LYS 70 2.179 -2.972 8.189 124 H LYS 71 HN LYS 71 -4.441 -7.560 5.614 125 HA LYS 71 HA LYS 71 -5.818 -8.522 7.143 126 1HB LYS 71 HB2 LYS 71 -3.216 -9.801 7.983 127 2HB LYS 71 HB1 LYS 71 -4.770 -10.232 8.681 128 1HG LYS 71 HG2 LYS 71 -4.629 -11.834 7.083 129 2HG LYS 71 HG1 LYS 71 -5.413 -10.566 6.138 130 1HD LYS 71 HD2 LYS 71 -3.690 -11.255 4.743 131 2HD LYS 71 HD1 LYS 71 -2.997 -9.845 5.548 132 1HE LYS 71 HE2 LYS 71 -2.175 -11.653 7.274 133 2HE LYS 71 HE1 LYS 71 -2.375 -12.738 5.899 134 1HZ LYS 71 HZ1 LYS 71 -0.698 -10.287 5.946 135 2HZ LYS 71 HZ2 LYS 71 -0.898 -11.310 4.615 136 3HZ LYS 71 HZ3 LYS 71 -0.128 -11.879 6.009 137 H ILE 72 HN ILE 72 -4.795 -5.928 7.685 138 HA ILE 72 HA ILE 72 -4.452 -4.391 9.348 139 HB ILE 72 HB ILE 72 -6.102 -4.488 11.158 140 1HG1 ILE 72 HG12 ILE 72 -6.959 -7.156 10.026 141 2HG1 ILE 72 HG11 ILE 72 -5.916 -7.004 11.442 142 1HG2 ILE 72 HG21 ILE 72 -8.148 -4.870 9.575 143 2HG2 ILE 72 HG22 ILE 72 -6.903 -5.005 8.334 144 3HG2 ILE 72 HG23 ILE 72 -7.037 -3.531 9.292 145 1HD1 ILE 72 HD11 ILE 72 -8.594 -7.210 11.548 146 2HD1 ILE 72 HD12 ILE 72 -8.412 -5.455 11.538 147 3HD1 ILE 72 HD13 ILE 72 -7.616 -6.418 12.783 Start of MODEL 14 1 1H GLY 55 HT1 GLY 55 4.298 13.709 -10.714 2 2H GLY 55 HT2 GLY 55 3.356 14.344 -9.461 3 3H GLY 55 HT3 GLY 55 2.901 14.595 -11.070 4 1HA GLY 55 HA1 GLY 55 1.784 12.739 -9.591 5 2HA GLY 55 HA2 GLY 55 2.015 12.549 -11.323 6 HA PRO 56 HA PRO 56 5.191 9.733 -9.189 7 1HB PRO 56 HB2 PRO 56 5.124 9.440 -6.527 8 2HB PRO 56 HB1 PRO 56 5.909 10.828 -7.286 9 1HG PRO 56 HG2 PRO 56 3.343 10.683 -5.824 10 2HG PRO 56 HG1 PRO 56 4.438 12.049 -6.037 11 1HD PRO 56 HD2 PRO 56 2.042 11.490 -7.488 12 2HD PRO 56 HD1 PRO 56 3.185 12.822 -7.755 13 H GLU 57 HN GLU 57 2.483 9.499 -6.910 14 HA GLU 57 HA GLU 57 1.266 7.719 -6.202 15 1HB GLU 57 HB2 GLU 57 0.397 8.556 -8.551 16 2HB GLU 57 HB1 GLU 57 0.899 6.948 -9.061 17 1HG GLU 57 HG2 GLU 57 -0.514 6.341 -6.843 18 2HG GLU 57 HG1 GLU 57 -1.366 7.785 -7.389 19 H ALA 58 HN ALA 58 4.083 7.118 -6.441 20 HA ALA 58 HA ALA 58 4.018 4.289 -7.248 21 1HB ALA 58 HB1 ALA 58 6.586 4.586 -7.002 22 2HB ALA 58 HB2 ALA 58 6.217 6.308 -7.089 23 3HB ALA 58 HB3 ALA 58 5.768 5.242 -8.420 24 H SER 59 HN SER 59 5.476 6.366 -4.737 25 HA SER 59 HA SER 59 6.142 4.294 -2.974 26 1HB SER 59 HB2 SER 59 5.382 6.909 -1.793 27 2HB SER 59 HB1 SER 59 6.842 5.947 -1.561 28 HG SER 59 HG SER 59 7.755 6.893 -3.240 29 H ALA 60 HN ALA 60 3.220 6.271 -3.234 30 HA ALA 60 HA ALA 60 1.941 5.246 -0.927 31 1HB ALA 60 HB1 ALA 60 -0.086 6.254 -1.830 32 2HB ALA 60 HB2 ALA 60 0.707 6.476 -3.389 33 3HB ALA 60 HB3 ALA 60 1.283 7.357 -1.974 34 H PHE 61 HN PHE 61 1.727 4.381 -4.364 35 HA PHE 61 HA PHE 61 -0.259 2.421 -4.120 36 1HB PHE 61 HB2 PHE 61 0.457 3.365 -6.275 37 2HB PHE 61 HB1 PHE 61 2.011 2.557 -6.116 38 HD1 PHE 61 HD1 PHE 61 -1.339 1.181 -5.320 39 HD2 PHE 61 HD2 PHE 61 2.005 1.115 -7.952 40 HE1 PHE 61 HE1 PHE 61 -2.262 -0.807 -6.437 41 HE2 PHE 61 HE2 PHE 61 1.088 -0.873 -9.074 42 HZ PHE 61 HZ PHE 61 -1.049 -1.836 -8.317 43 H THR 62 HN THR 62 3.184 2.319 -3.552 44 HA THR 62 HA THR 62 3.246 -0.561 -3.308 45 HB THR 62 HB THR 62 5.607 0.145 -2.288 46 HG1 THR 62 HG1 THR 62 6.251 2.110 -2.883 47 1HG2 THR 62 HG21 THR 62 4.783 0.127 -5.163 48 2HG2 THR 62 HG22 THR 62 5.670 -1.094 -4.249 49 3HG2 THR 62 HG23 THR 62 6.454 0.425 -4.684 50 H LYS 63 HN LYS 63 1.871 1.663 -1.425 51 HA LYS 63 HA LYS 63 2.658 0.311 1.073 52 1HB LYS 63 HB2 LYS 63 2.706 3.059 0.458 53 2HB LYS 63 HB1 LYS 63 1.327 2.830 1.533 54 1HG LYS 63 HG2 LYS 63 3.351 3.384 2.769 55 2HG LYS 63 HG1 LYS 63 2.766 1.771 3.181 56 1HD LYS 63 HD2 LYS 63 4.453 1.192 1.145 57 2HD LYS 63 HD1 LYS 63 5.253 2.603 1.841 58 1HE LYS 63 HE2 LYS 63 6.004 0.420 2.790 59 2HE LYS 63 HE1 LYS 63 5.384 1.559 3.985 60 1HZ LYS 63 HZ1 LYS 63 3.551 -0.411 2.806 61 2HZ LYS 63 HZ2 LYS 63 3.511 0.314 4.334 62 3HZ LYS 63 HZ3 LYS 63 4.628 -0.914 4.011 63 H LYS 64 HN LYS 64 -0.052 2.047 -0.467 64 HA LYS 64 HA LYS 64 -2.060 1.201 1.257 65 1HB LYS 64 HB2 LYS 64 -3.606 1.833 -0.490 66 2HB LYS 64 HB1 LYS 64 -2.294 2.996 -0.431 67 1HG LYS 64 HG2 LYS 64 -1.264 1.989 -2.370 68 2HG LYS 64 HG1 LYS 64 -2.498 0.727 -2.400 69 1HD LYS 64 HD2 LYS 64 -4.039 2.960 -2.429 70 2HD LYS 64 HD1 LYS 64 -2.620 3.520 -3.316 71 1HE LYS 64 HE2 LYS 64 -3.046 2.194 -5.088 72 2HE LYS 64 HE1 LYS 64 -3.604 0.858 -4.082 73 1HZ LYS 64 HZ1 LYS 64 -5.300 3.235 -4.263 74 2HZ LYS 64 HZ2 LYS 64 -5.735 1.608 -4.103 75 3HZ LYS 64 HZ3 LYS 64 -5.241 2.207 -5.606 76 H MET 65 HN MET 65 -0.713 -0.346 -1.617 77 HA MET 65 HA MET 65 -2.583 -2.418 -1.876 78 1HB MET 65 HB2 MET 65 -0.949 -1.904 -3.610 79 2HB MET 65 HB1 MET 65 0.364 -2.401 -2.553 80 1HG MET 65 HG2 MET 65 -1.783 -4.367 -3.117 81 2HG MET 65 HG1 MET 65 -0.641 -3.993 -4.407 82 1HE MET 65 HE1 MET 65 -1.668 -5.789 -1.654 83 2HE MET 65 HE2 MET 65 -0.316 -6.182 -0.593 84 3HE MET 65 HE3 MET 65 -0.638 -7.174 -2.016 85 H VAL 66 HN VAL 66 0.529 -2.338 -0.155 86 HA VAL 66 HA VAL 66 0.426 -4.942 0.886 87 HB VAL 66 HB VAL 66 1.633 -2.695 2.469 88 1HG1 VAL 66 HG11 VAL 66 3.359 -4.372 2.924 89 2HG1 VAL 66 HG12 VAL 66 2.512 -5.521 1.888 90 3HG1 VAL 66 HG13 VAL 66 1.754 -4.949 3.375 91 1HG2 VAL 66 HG21 VAL 66 2.425 -2.046 0.383 92 2HG2 VAL 66 HG22 VAL 66 2.543 -3.707 -0.200 93 3HG2 VAL 66 HG23 VAL 66 3.704 -3.103 0.984 94 H GLU 67 HN GLU 67 -0.995 -1.929 1.916 95 HA GLU 67 HA GLU 67 -1.908 -2.929 4.454 96 1HB GLU 67 HB2 GLU 67 -1.398 -0.569 4.219 97 2HB GLU 67 HB1 GLU 67 -2.556 -0.414 2.907 98 1HG GLU 67 HG2 GLU 67 -4.341 -0.347 4.299 99 2HG GLU 67 HG1 GLU 67 -3.591 -1.415 5.491 100 H ASN 68 HN ASN 68 -3.096 -2.795 1.194 101 HA ASN 68 HA ASN 68 -5.846 -2.940 1.607 102 1HB ASN 68 HB2 ASN 68 -4.138 -3.078 -0.581 103 2HB ASN 68 HB1 ASN 68 -4.957 -4.637 -0.589 104 1HD2 ASN 68 HD21 ASN 68 -5.368 -1.180 -0.771 105 2HD2 ASN 68 HD22 ASN 68 -6.961 -1.207 -1.440 106 H ALA 69 HN ALA 69 -3.376 -5.365 1.987 107 HA ALA 69 HA ALA 69 -5.330 -7.152 3.188 108 1HB ALA 69 HB1 ALA 69 -3.490 -8.330 1.141 109 2HB ALA 69 HB2 ALA 69 -5.051 -7.659 0.670 110 3HB ALA 69 HB3 ALA 69 -4.977 -8.994 1.821 111 H LYS 70 HN LYS 70 -3.253 -5.600 4.316 112 HA LYS 70 HA LYS 70 -0.860 -7.005 4.727 113 1HB LYS 70 HB2 LYS 70 -1.241 -4.605 5.286 114 2HB LYS 70 HB1 LYS 70 -2.218 -5.116 6.656 115 1HG LYS 70 HG2 LYS 70 -0.416 -5.776 7.876 116 2HG LYS 70 HG1 LYS 70 0.534 -6.200 6.450 117 1HD LYS 70 HD2 LYS 70 1.584 -4.290 7.315 118 2HD LYS 70 HD1 LYS 70 0.610 -3.691 5.971 119 1HE LYS 70 HE2 LYS 70 -0.099 -2.180 7.479 120 2HE LYS 70 HE1 LYS 70 -1.163 -3.486 8.001 121 1HZ LYS 70 HZ1 LYS 70 1.332 -2.527 9.241 122 2HZ LYS 70 HZ2 LYS 70 0.798 -4.107 9.521 123 3HZ LYS 70 HZ3 LYS 70 -0.179 -2.796 9.955 124 H LYS 71 HN LYS 71 -4.021 -7.565 5.930 125 HA LYS 71 HA LYS 71 -4.877 -9.222 7.235 126 1HB LYS 71 HB2 LYS 71 -2.092 -10.318 7.589 127 2HB LYS 71 HB1 LYS 71 -3.620 -11.183 7.678 128 1HG LYS 71 HG2 LYS 71 -2.342 -10.035 5.207 129 2HG LYS 71 HG1 LYS 71 -2.492 -11.741 5.631 130 1HD LYS 71 HD2 LYS 71 -5.078 -10.969 5.769 131 2HD LYS 71 HD1 LYS 71 -4.486 -9.879 4.514 132 1HE LYS 71 HE2 LYS 71 -4.005 -11.592 3.062 133 2HE LYS 71 HE1 LYS 71 -3.776 -12.767 4.356 134 1HZ LYS 71 HZ1 LYS 71 -6.350 -12.236 4.663 135 2HZ LYS 71 HZ2 LYS 71 -5.785 -13.457 3.638 136 3HZ LYS 71 HZ3 LYS 71 -6.218 -11.951 3.000 137 H ILE 72 HN ILE 72 -4.199 -6.756 8.357 138 HA ILE 72 HA ILE 72 -3.147 -7.446 11.014 139 HB ILE 72 HB ILE 72 -3.106 -4.933 11.341 140 1HG1 ILE 72 HG12 ILE 72 -3.030 -4.575 8.402 141 2HG1 ILE 72 HG11 ILE 72 -4.629 -4.833 9.104 142 1HG2 ILE 72 HG21 ILE 72 -1.376 -6.556 9.597 143 2HG2 ILE 72 HG22 ILE 72 -0.985 -5.636 11.050 144 3HG2 ILE 72 HG23 ILE 72 -1.145 -4.810 9.500 145 1HD1 ILE 72 HD11 ILE 72 -3.315 -2.434 8.893 146 2HD1 ILE 72 HD12 ILE 72 -3.056 -2.887 10.578 147 3HD1 ILE 72 HD13 ILE 72 -4.695 -2.774 9.937 Start of MODEL 15 1 1H GLY 55 HT1 GLY 55 -0.153 13.905 -10.619 2 2H GLY 55 HT2 GLY 55 -0.310 12.411 -11.396 3 3H GLY 55 HT3 GLY 55 1.222 13.096 -11.183 4 1HA GLY 55 HA1 GLY 55 0.536 13.016 -8.664 5 2HA GLY 55 HA2 GLY 55 -0.493 11.719 -9.251 6 HA PRO 56 HA PRO 56 3.913 10.157 -8.839 7 1HB PRO 56 HB2 PRO 56 4.304 9.734 -6.223 8 2HB PRO 56 HB1 PRO 56 4.570 11.319 -6.954 9 1HG PRO 56 HG2 PRO 56 2.371 10.396 -5.206 10 2HG PRO 56 HG1 PRO 56 3.015 12.021 -5.436 11 1HD PRO 56 HD2 PRO 56 0.679 10.884 -6.623 12 2HD PRO 56 HD1 PRO 56 1.370 12.493 -6.916 13 H GLU 57 HN GLU 57 1.719 9.071 -6.273 14 HA GLU 57 HA GLU 57 1.142 6.991 -5.572 15 1HB GLU 57 HB2 GLU 57 -0.244 7.660 -7.718 16 2HB GLU 57 HB1 GLU 57 0.597 6.281 -8.418 17 1HG GLU 57 HG2 GLU 57 -0.620 4.795 -7.271 18 2HG GLU 57 HG1 GLU 57 -0.601 5.764 -5.798 19 H ALA 58 HN ALA 58 3.948 7.201 -6.171 20 HA ALA 58 HA ALA 58 4.597 4.604 -7.358 21 1HB ALA 58 HB1 ALA 58 5.779 6.850 -7.915 22 2HB ALA 58 HB2 ALA 58 6.740 5.383 -7.730 23 3HB ALA 58 HB3 ALA 58 6.656 6.553 -6.413 24 H SER 59 HN SER 59 5.858 6.458 -4.582 25 HA SER 59 HA SER 59 6.712 4.113 -3.215 26 1HB SER 59 HB2 SER 59 6.530 7.024 -2.506 27 2HB SER 59 HB1 SER 59 6.884 5.834 -1.253 28 HG SER 59 HG SER 59 8.569 6.902 -2.960 29 H ALA 60 HN ALA 60 3.814 6.063 -3.157 30 HA ALA 60 HA ALA 60 2.762 4.953 -0.739 31 1HB ALA 60 HB1 ALA 60 0.661 6.059 -1.422 32 2HB ALA 60 HB2 ALA 60 1.411 6.478 -2.963 33 3HB ALA 60 HB3 ALA 60 2.051 7.144 -1.460 34 H PHE 61 HN PHE 61 2.253 4.348 -4.194 35 HA PHE 61 HA PHE 61 0.190 2.469 -3.946 36 1HB PHE 61 HB2 PHE 61 0.813 3.522 -6.078 37 2HB PHE 61 HB1 PHE 61 2.333 2.637 -6.075 38 HD1 PHE 61 HD1 PHE 61 -1.025 1.364 -5.151 39 HD2 PHE 61 HD2 PHE 61 2.143 1.321 -7.992 40 HE1 PHE 61 HE1 PHE 61 -2.113 -0.501 -6.331 41 HE2 PHE 61 HE2 PHE 61 1.061 -0.544 -9.177 42 HZ PHE 61 HZ PHE 61 -1.070 -1.457 -8.346 43 H THR 62 HN THR 62 3.653 2.171 -3.618 44 HA THR 62 HA THR 62 3.583 -0.718 -3.560 45 HB THR 62 HB THR 62 5.546 0.390 -4.475 46 HG1 THR 62 HG1 THR 62 6.323 -1.403 -3.671 47 1HG2 THR 62 HG21 THR 62 5.889 1.582 -1.736 48 2HG2 THR 62 HG22 THR 62 5.607 2.447 -3.248 49 3HG2 THR 62 HG23 THR 62 7.122 1.579 -2.998 50 H LYS 63 HN LYS 63 2.451 1.440 -1.453 51 HA LYS 63 HA LYS 63 3.330 -0.107 0.897 52 1HB LYS 63 HB2 LYS 63 3.460 2.675 0.448 53 2HB LYS 63 HB1 LYS 63 2.157 2.427 1.611 54 1HG LYS 63 HG2 LYS 63 4.721 1.006 2.077 55 2HG LYS 63 HG1 LYS 63 4.671 2.748 2.359 56 1HD LYS 63 HD2 LYS 63 3.960 2.135 4.410 57 2HD LYS 63 HD1 LYS 63 2.398 1.981 3.604 58 1HE LYS 63 HE2 LYS 63 3.132 -0.434 3.108 59 2HE LYS 63 HE1 LYS 63 4.354 -0.167 4.351 60 1HZ LYS 63 HZ1 LYS 63 2.464 -1.156 5.368 61 2HZ LYS 63 HZ2 LYS 63 1.408 -0.030 4.677 62 3HZ LYS 63 HZ3 LYS 63 2.506 0.460 5.866 63 H LYS 64 HN LYS 64 0.614 1.848 -0.340 64 HA LYS 64 HA LYS 64 -1.318 0.983 1.458 65 1HB LYS 64 HB2 LYS 64 -2.940 1.794 -0.139 66 2HB LYS 64 HB1 LYS 64 -1.570 2.889 -0.104 67 1HG LYS 64 HG2 LYS 64 -0.717 1.927 -2.160 68 2HG LYS 64 HG1 LYS 64 -2.045 0.765 -2.185 69 1HD LYS 64 HD2 LYS 64 -2.666 2.491 -3.674 70 2HD LYS 64 HD1 LYS 64 -3.608 2.759 -2.206 71 1HE LYS 64 HE2 LYS 64 -1.794 4.372 -1.496 72 2HE LYS 64 HE1 LYS 64 -1.156 4.237 -3.134 73 1HZ LYS 64 HZ1 LYS 64 -3.454 4.908 -3.886 74 2HZ LYS 64 HZ2 LYS 64 -2.536 6.114 -3.135 75 3HZ LYS 64 HZ3 LYS 64 -3.769 5.333 -2.279 76 H MET 65 HN MET 65 -0.262 -0.424 -1.607 77 HA MET 65 HA MET 65 -2.235 -2.402 -1.838 78 1HB MET 65 HB2 MET 65 -0.730 -1.837 -3.669 79 2HB MET 65 HB1 MET 65 0.645 -2.446 -2.760 80 1HG MET 65 HG2 MET 65 -1.629 -4.283 -3.291 81 2HG MET 65 HG1 MET 65 -0.534 -3.887 -4.615 82 1HE MET 65 HE1 MET 65 -1.504 -5.824 -1.915 83 2HE MET 65 HE2 MET 65 -0.116 -6.555 -1.109 84 3HE MET 65 HE3 MET 65 -0.674 -7.193 -2.656 85 H VAL 66 HN VAL 66 0.996 -2.535 -0.362 86 HA VAL 66 HA VAL 66 0.879 -5.203 0.508 87 HB VAL 66 HB VAL 66 2.284 -3.111 2.138 88 1HG1 VAL 66 HG11 VAL 66 3.349 -5.764 1.244 89 2HG1 VAL 66 HG12 VAL 66 2.244 -5.640 2.613 90 3HG1 VAL 66 HG13 VAL 66 3.796 -4.802 2.653 91 1HG2 VAL 66 HG21 VAL 66 2.937 -2.339 0.045 92 2HG2 VAL 66 HG22 VAL 66 2.951 -3.957 -0.658 93 3HG2 VAL 66 HG23 VAL 66 4.219 -3.473 0.469 94 H GLU 67 HN GLU 67 -0.379 -2.233 1.819 95 HA GLU 67 HA GLU 67 -1.122 -3.370 4.358 96 1HB GLU 67 HB2 GLU 67 -0.548 -1.018 4.241 97 2HB GLU 67 HB1 GLU 67 -1.791 -0.738 3.033 98 1HG GLU 67 HG2 GLU 67 -3.473 -0.730 4.556 99 2HG GLU 67 HG1 GLU 67 -2.654 -1.873 5.629 100 H ASN 68 HN ASN 68 -2.564 -2.931 1.221 101 HA ASN 68 HA ASN 68 -5.277 -3.093 1.912 102 1HB ASN 68 HB2 ASN 68 -3.675 -3.528 -0.545 103 2HB ASN 68 HB1 ASN 68 -5.272 -4.268 -0.515 104 1HD2 ASN 68 HD21 ASN 68 -4.162 -1.239 0.923 105 2HD2 ASN 68 HD22 ASN 68 -5.237 -0.219 0.035 106 H ALA 69 HN ALA 69 -2.808 -5.538 1.678 107 HA ALA 69 HA ALA 69 -4.821 -7.567 2.397 108 1HB ALA 69 HB1 ALA 69 -3.497 -7.601 0.054 109 2HB ALA 69 HB2 ALA 69 -4.044 -9.055 0.890 110 3HB ALA 69 HB3 ALA 69 -2.373 -8.516 1.058 111 H LYS 70 HN LYS 70 -3.168 -5.877 4.123 112 HA LYS 70 HA LYS 70 -1.193 -7.711 5.225 113 1HB LYS 70 HB2 LYS 70 -0.805 -5.218 4.980 114 2HB LYS 70 HB1 LYS 70 -1.959 -4.995 6.287 115 1HG LYS 70 HG2 LYS 70 -0.277 -6.813 7.388 116 2HG LYS 70 HG1 LYS 70 0.828 -5.900 6.359 117 1HD LYS 70 HD2 LYS 70 0.933 -4.584 8.209 118 2HD LYS 70 HD1 LYS 70 -0.489 -3.857 7.458 119 1HE LYS 70 HE2 LYS 70 -1.260 -4.189 9.592 120 2HE LYS 70 HE1 LYS 70 -1.764 -5.695 8.825 121 1HZ LYS 70 HZ1 LYS 70 -0.762 -6.349 10.805 122 2HZ LYS 70 HZ2 LYS 70 0.505 -5.239 10.660 123 3HZ LYS 70 HZ3 LYS 70 0.452 -6.596 9.653 124 H LYS 71 HN LYS 71 -4.459 -7.327 5.519 125 HA LYS 71 HA LYS 71 -5.999 -8.142 6.980 126 1HB LYS 71 HB2 LYS 71 -3.696 -9.283 8.563 127 2HB LYS 71 HB1 LYS 71 -5.369 -9.821 8.568 128 1HG LYS 71 HG2 LYS 71 -3.470 -10.016 6.239 129 2HG LYS 71 HG1 LYS 71 -3.933 -11.338 7.312 130 1HD LYS 71 HD2 LYS 71 -6.369 -10.498 6.562 131 2HD LYS 71 HD1 LYS 71 -5.447 -10.040 5.128 132 1HE LYS 71 HE2 LYS 71 -4.575 -12.348 4.997 133 2HE LYS 71 HE1 LYS 71 -5.589 -12.784 6.372 134 1HZ LYS 71 HZ1 LYS 71 -6.943 -11.511 4.137 135 2HZ LYS 71 HZ2 LYS 71 -7.441 -12.798 5.114 136 3HZ LYS 71 HZ3 LYS 71 -6.352 -13.071 3.849 137 H ILE 72 HN ILE 72 -4.998 -5.518 7.289 138 HA ILE 72 HA ILE 72 -4.372 -4.885 9.971 139 HB ILE 72 HB ILE 72 -5.157 -2.566 9.341 140 1HG1 ILE 72 HG12 ILE 72 -5.356 -3.694 6.550 141 2HG1 ILE 72 HG11 ILE 72 -6.773 -3.501 7.585 142 1HG2 ILE 72 HG21 ILE 72 -3.313 -2.289 7.612 143 2HG2 ILE 72 HG22 ILE 72 -3.080 -4.032 7.743 144 3HG2 ILE 72 HG23 ILE 72 -2.856 -3.004 9.158 145 1HD1 ILE 72 HD11 ILE 72 -6.823 -1.274 7.311 146 2HD1 ILE 72 HD12 ILE 72 -5.905 -1.643 5.851 147 3HD1 ILE 72 HD13 ILE 72 -5.066 -1.123 7.313
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