NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637744 | 6dzc | 30489 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -9.809 1.796 0.563 2 HA2 GLY 1 HA2 GLY 1 -10.444 4.384 1.612 3 HA3 GLY 1 HA1 GLY 1 -9.637 3.078 2.475 4 H SER 2 HN SER 2 -8.578 4.564 -0.556 5 HA SER 2 HA SER 2 -6.609 5.600 -1.129 6 HB2 SER 2 HB2 SER 2 -7.699 6.994 1.067 7 HB3 SER 2 HB1 SER 2 -5.974 6.846 1.391 8 HG SER 2 HG SER 2 -5.529 7.943 -0.419 9 H ARG 3 HN ARG 3 -4.318 6.211 0.267 10 HA ARG 3 HA ARG 3 -2.333 5.248 0.915 11 HB2 ARG 3 HB2 ARG 3 -4.208 3.559 2.591 12 HB3 ARG 3 HB1 ARG 3 -2.467 3.684 2.824 13 HG2 ARG 3 HG2 ARG 3 -3.023 6.293 2.879 14 HG3 ARG 3 HG1 ARG 3 -4.604 5.696 3.387 15 HD2 ARG 3 HD2 ARG 3 -3.306 6.036 5.383 16 HD3 ARG 3 HD1 ARG 3 -3.416 4.296 5.123 17 HE ARG 3 HE ARG 3 -1.059 5.579 3.991 18 HH11 ARG 3 HH11 ARG 3 0.913 4.858 4.853 19 HH12 ARG 3 HH12 ARG 3 0.924 3.900 6.295 20 HH21 ARG 3 HH21 ARG 3 -2.525 3.921 6.654 21 HH22 ARG 3 HH22 ARG 3 -1.022 3.370 7.316 22 H GLY 4 HN GLY 4 -1.324 4.189 -0.669 23 HA2 GLY 4 HA2 GLY 4 -1.257 1.397 -0.834 24 HA3 GLY 4 HA1 GLY 4 -2.362 1.971 -2.080 25 H PHE 5 HN PHE 5 0.766 1.148 -1.495 26 HA PHE 5 HA PHE 5 1.758 1.789 -4.008 27 HB2 PHE 5 HB2 PHE 5 1.788 4.093 -3.672 28 HB3 PHE 5 HB1 PHE 5 2.172 3.939 -1.957 29 HD1 PHE 5 HD1 PHE 5 3.574 3.279 -5.362 30 HD2 PHE 5 HD2 PHE 5 4.402 4.097 -1.227 31 HE1 PHE 5 HE1 PHE 5 5.987 3.495 -5.889 32 HE2 PHE 5 HE2 PHE 5 6.817 4.315 -1.754 33 HZ PHE 5 HZ PHE 5 7.609 4.014 -4.086 34 H ARG 6 HN ARG 6 3.398 0.417 -4.281 35 HA ARG 6 HA ARG 6 4.510 -1.139 -2.238 36 HB2 ARG 6 HB2 ARG 6 4.753 -0.898 -5.073 37 HB3 ARG 6 HB1 ARG 6 6.382 -0.874 -4.403 38 HG2 ARG 6 HG2 ARG 6 5.888 -3.171 -4.772 39 HG3 ARG 6 HG1 ARG 6 5.688 -2.938 -3.038 40 HD2 ARG 6 HD2 ARG 6 3.741 -4.109 -3.611 41 HD3 ARG 6 HD1 ARG 6 3.193 -2.437 -3.653 42 HE ARG 6 HE ARG 6 3.031 -2.582 -5.987 43 HH11 ARG 6 HH11 ARG 6 2.897 -3.817 -7.887 44 HH12 ARG 6 HH12 ARG 6 3.526 -5.430 -7.910 45 HH21 ARG 6 HH21 ARG 6 4.569 -5.362 -4.607 46 HH22 ARG 6 HH22 ARG 6 4.471 -6.303 -6.056 47 H PHE 7 HN PHE 7 6.212 -0.852 -0.858 48 HA PHE 7 HA PHE 7 8.019 1.421 -1.346 49 HB2 PHE 7 HB2 PHE 7 5.966 1.677 0.406 50 HB3 PHE 7 HB1 PHE 7 7.203 1.039 1.480 51 HD1 PHE 7 HD1 PHE 7 9.674 2.183 0.196 52 HD2 PHE 7 HD2 PHE 7 5.839 3.958 1.002 53 HE1 PHE 7 HE1 PHE 7 10.725 4.423 0.279 54 HE2 PHE 7 HE2 PHE 7 6.898 6.196 1.083 55 HZ PHE 7 HZ PHE 7 9.339 6.430 0.723 56 HA DPR 8 HA DPR 8 11.502 -1.135 -0.687 57 HB2 DPR 8 HB2 DPR 8 11.636 -2.895 -2.202 58 HB3 DPR 8 HB1 DPR 8 9.954 -3.387 -1.928 59 HG2 DPR 8 HG2 DPR 8 11.034 -1.214 -3.625 60 HG3 DPR 8 HG1 DPR 8 9.595 -2.221 -3.851 61 HD2 DPR 8 HD2 DPR 8 9.651 0.419 -2.810 62 HD3 DPR 8 HD1 DPR 8 8.267 -0.695 -2.800 63 HA PRO 9 HA PRO 9 10.972 -3.939 2.742 64 HB2 PRO 9 HB2 PRO 9 11.195 -2.207 4.858 65 HB3 PRO 9 HB1 PRO 9 12.577 -2.764 3.896 66 HG2 PRO 9 HG2 PRO 9 11.093 -0.191 3.766 67 HG3 PRO 9 HG1 PRO 9 12.828 -0.508 3.591 68 HD2 PRO 9 HD2 PRO 9 11.175 -0.059 1.455 69 HD3 PRO 9 HD1 PRO 9 12.643 -1.055 1.356 70 H LYS 10 HN LYS 10 8.630 -2.018 1.679 71 HA LYS 10 HA LYS 10 6.631 -3.153 3.383 72 HB2 LYS 10 HB2 LYS 10 7.484 -1.232 4.767 73 HB3 LYS 10 HB1 LYS 10 6.966 -0.149 3.487 74 HG2 LYS 10 HG2 LYS 10 4.626 -1.237 3.787 75 HG3 LYS 10 HG1 LYS 10 5.260 -1.828 5.325 76 HD2 LYS 10 HD2 LYS 10 6.043 0.748 5.483 77 HD3 LYS 10 HD1 LYS 10 4.602 0.944 4.483 78 HE2 LYS 10 HE2 LYS 10 3.807 1.101 6.713 79 HE3 LYS 10 HE1 LYS 10 3.411 -0.544 6.213 80 HZ1 LYS 10 HZ1 LYS 10 5.788 0.274 7.793 81 HZ2 LYS 10 HZ2 LYS 10 5.449 -1.309 7.280 82 HZ3 LYS 10 HZ3 LYS 10 4.424 -0.536 8.393 83 H ILE 11 HN ILE 11 4.561 -2.922 2.564 84 HA ILE 11 HA ILE 11 4.189 -1.346 0.125 85 HB ILE 11 HB ILE 11 3.534 -3.136 -1.256 86 HG12 ILE 11 HG12 ILE 11 3.532 -5.533 -0.142 87 HG13 ILE 11 HG11 ILE 11 3.267 -4.634 1.346 88 HG21 ILE 11 HG21 ILE 11 5.764 -4.377 0.364 89 HG22 ILE 11 HG22 ILE 11 6.015 -3.015 -0.725 90 HG23 ILE 11 HG23 ILE 11 5.443 -4.556 -1.358 91 HD11 ILE 11 HD11 ILE 11 1.072 -4.552 0.833 92 HD12 ILE 11 HD12 ILE 11 1.375 -5.293 -0.735 93 HD13 ILE 11 HD13 ILE 11 1.459 -3.544 -0.560 94 H ILE 12 HN ILE 12 2.236 -0.425 0.060 95 HA ILE 12 HA ILE 12 0.216 -1.346 2.013 96 HB ILE 12 HB ILE 12 0.457 1.396 0.757 97 HG12 ILE 12 HG12 ILE 12 2.441 1.041 2.096 98 HG13 ILE 12 HG11 ILE 12 1.346 2.074 3.011 99 HG21 ILE 12 HG21 ILE 12 -1.751 1.134 1.528 100 HG22 ILE 12 HG22 ILE 12 -0.935 1.923 2.877 101 HG23 ILE 12 HG23 ILE 12 -1.250 0.191 2.933 102 HD11 ILE 12 HD11 ILE 12 1.997 0.506 4.620 103 HD12 ILE 12 HD12 ILE 12 2.028 -0.818 3.460 104 HD13 ILE 12 HD13 ILE 12 0.487 -0.187 4.032 105 H ARG 13 HN ARG 13 -2.000 -1.330 1.372 106 HA ARG 13 HA ARG 13 -2.747 -0.788 -1.347 107 HB2 ARG 13 HB2 ARG 13 -2.953 -2.901 -2.236 108 HB3 ARG 13 HB1 ARG 13 -1.526 -3.137 -1.228 109 HG2 ARG 13 HG2 ARG 13 -3.174 -3.840 0.630 110 HG3 ARG 13 HG1 ARG 13 -4.376 -3.963 -0.656 111 HD2 ARG 13 HD2 ARG 13 -2.363 -5.329 -1.809 112 HD3 ARG 13 HD1 ARG 13 -1.996 -5.656 -0.117 113 HE ARG 13 HE ARG 13 -4.325 -6.583 -1.602 114 HH11 ARG 13 HH11 ARG 13 -5.615 -8.086 -0.496 115 HH12 ARG 13 HH12 ARG 13 -5.375 -8.345 1.200 116 HH21 ARG 13 HH21 ARG 13 -2.799 -6.039 1.460 117 HH22 ARG 13 HH22 ARG 13 -3.780 -7.188 2.306 118 H ASN 14 HN ASN 14 -4.926 -0.593 -1.589 119 HA ASN 14 HA ASN 14 -6.816 -1.751 0.230 120 HB2 ASN 14 HB2 ASN 14 -6.042 1.141 0.519 121 HB3 ASN 14 HB1 ASN 14 -7.657 0.586 0.952 122 HD21 ASN 14 HD21 ASN 14 -7.502 -1.593 2.388 123 HD22 ASN 14 HD22 ASN 14 -6.371 -1.511 3.651 124 H GLU 15 HN GLU 15 -5.912 0.073 -2.472 125 HA GLU 15 HA GLU 15 -7.106 1.057 -4.222 126 HB2 GLU 15 HB2 GLU 15 -6.890 -1.554 -4.470 127 HB3 GLU 15 HB1 GLU 15 -8.643 -1.508 -4.278 128 HG2 GLU 15 HG2 GLU 15 -8.365 -1.303 -6.602 129 HG3 GLU 15 HG1 GLU 15 -8.564 0.368 -6.078 130 H ARG 16 HN ARG 16 -8.297 1.871 -1.798 131 HA ARG 16 HA ARG 16 -10.851 2.690 -2.718 132 HB2 ARG 16 HB2 ARG 16 -11.279 0.264 -2.037 133 HB3 ARG 16 HB1 ARG 16 -10.982 0.785 -0.380 134 HG2 ARG 16 HG2 ARG 16 -13.260 1.135 -0.460 135 HG3 ARG 16 HG1 ARG 16 -12.720 2.697 -1.078 136 HD2 ARG 16 HD2 ARG 16 -14.462 1.792 -2.537 137 HD3 ARG 16 HD1 ARG 16 -12.924 1.826 -3.395 138 HE ARG 16 HE ARG 16 -13.472 -0.689 -2.068 139 HH11 ARG 16 HH11 ARG 16 -13.792 -2.465 -3.448 140 HH12 ARG 16 HH12 ARG 16 -14.075 -2.202 -5.136 141 HH21 ARG 16 HH21 ARG 16 -13.879 1.251 -4.904 142 HH22 ARG 16 HH22 ARG 16 -14.124 -0.099 -5.961 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -11.094 0.683 -1.181 2 HA2 GLY 1 HA2 GLY 1 -11.760 3.197 -0.546 3 HA3 GLY 1 HA1 GLY 1 -10.231 3.030 0.312 4 H SER 2 HN SER 2 -8.841 4.245 -0.851 5 HA SER 2 HA SER 2 -8.005 3.308 -3.434 6 HB2 SER 2 HB2 SER 2 -8.378 5.751 -4.369 7 HB3 SER 2 HB1 SER 2 -9.655 4.542 -4.473 8 HG SER 2 HG SER 2 -9.936 6.827 -3.424 9 H ARG 3 HN ARG 3 -6.132 3.133 -1.995 10 HA ARG 3 HA ARG 3 -4.314 5.287 -2.367 11 HB2 ARG 3 HB2 ARG 3 -5.755 6.122 -0.436 12 HB3 ARG 3 HB1 ARG 3 -5.055 4.817 0.521 13 HG2 ARG 3 HG2 ARG 3 -2.830 5.945 -0.661 14 HG3 ARG 3 HG1 ARG 3 -3.849 7.350 -0.344 15 HD2 ARG 3 HD2 ARG 3 -2.404 6.869 1.591 16 HD3 ARG 3 HD1 ARG 3 -4.101 6.644 2.004 17 HE ARG 3 HE ARG 3 -2.744 4.234 1.120 18 HH11 ARG 3 HH11 ARG 3 -2.577 2.604 2.688 19 HH12 ARG 3 HH12 ARG 3 -2.897 2.970 4.350 20 HH21 ARG 3 HH21 ARG 3 -3.616 6.308 3.749 21 HH22 ARG 3 HH22 ARG 3 -3.487 5.068 4.951 22 H GLY 4 HN GLY 4 -2.382 4.356 -2.571 23 HA2 GLY 4 HA2 GLY 4 -1.505 2.269 -0.754 24 HA3 GLY 4 HA1 GLY 4 -1.745 1.737 -2.419 25 H PHE 5 HN PHE 5 0.712 1.405 -1.617 26 HA PHE 5 HA PHE 5 2.283 3.051 -3.314 27 HB2 PHE 5 HB2 PHE 5 1.971 4.630 -1.397 28 HB3 PHE 5 HB1 PHE 5 2.761 3.451 -0.351 29 HD1 PHE 5 HD1 PHE 5 3.296 5.228 -3.615 30 HD2 PHE 5 HD2 PHE 5 5.082 3.569 -0.073 31 HE1 PHE 5 HE1 PHE 5 5.515 6.073 -4.334 32 HE2 PHE 5 HE2 PHE 5 7.297 4.415 -0.795 33 HZ PHE 5 HZ PHE 5 7.514 5.668 -2.925 34 H ARG 6 HN ARG 6 4.621 2.466 -3.160 35 HA ARG 6 HA ARG 6 4.972 -0.256 -2.048 36 HB2 ARG 6 HB2 ARG 6 4.966 0.361 -4.723 37 HB3 ARG 6 HB1 ARG 6 6.673 0.571 -4.337 38 HG2 ARG 6 HG2 ARG 6 6.861 -1.691 -3.533 39 HG3 ARG 6 HG1 ARG 6 5.111 -1.924 -3.594 40 HD2 ARG 6 HD2 ARG 6 6.823 -1.325 -6.017 41 HD3 ARG 6 HD1 ARG 6 6.334 -2.946 -5.531 42 HE ARG 6 HE ARG 6 4.701 -1.015 -6.875 43 HH11 ARG 6 HH11 ARG 6 2.533 -1.588 -7.241 44 HH12 ARG 6 HH12 ARG 6 1.823 -2.887 -6.341 45 HH21 ARG 6 HH21 ARG 6 4.705 -3.566 -4.536 46 HH22 ARG 6 HH22 ARG 6 3.052 -4.006 -4.810 47 H PHE 7 HN PHE 7 6.558 -0.461 -0.608 48 HA PHE 7 HA PHE 7 8.788 1.466 -0.669 49 HB2 PHE 7 HB2 PHE 7 6.727 1.531 1.206 50 HB3 PHE 7 HB1 PHE 7 8.039 0.725 2.056 51 HD1 PHE 7 HD1 PHE 7 10.469 1.929 1.020 52 HD2 PHE 7 HD2 PHE 7 6.668 3.781 1.832 53 HE1 PHE 7 HE1 PHE 7 11.593 4.116 1.319 54 HE2 PHE 7 HE2 PHE 7 7.802 5.964 2.128 55 HZ PHE 7 HZ PHE 7 10.262 6.133 1.871 56 HA DPR 8 HA DPR 8 11.733 -1.764 -0.541 57 HB2 DPR 8 HB2 DPR 8 11.705 -3.054 -2.474 58 HB3 DPR 8 HB1 DPR 8 9.947 -3.286 -2.410 59 HG2 DPR 8 HG2 DPR 8 11.513 -0.967 -3.389 60 HG3 DPR 8 HG1 DPR 8 9.971 -1.617 -3.966 61 HD2 DPR 8 HD2 DPR 8 10.294 0.609 -2.260 62 HD3 DPR 8 HD1 DPR 8 8.775 -0.254 -2.580 63 HA PRO 9 HA PRO 9 10.366 -5.243 1.924 64 HB2 PRO 9 HB2 PRO 9 10.900 -4.328 4.435 65 HB3 PRO 9 HB1 PRO 9 12.169 -4.832 3.301 66 HG2 PRO 9 HG2 PRO 9 11.234 -2.092 4.000 67 HG3 PRO 9 HG1 PRO 9 12.880 -2.689 3.727 68 HD2 PRO 9 HD2 PRO 9 11.468 -1.297 1.836 69 HD3 PRO 9 HD1 PRO 9 12.718 -2.497 1.434 70 H LYS 10 HN LYS 10 8.569 -2.613 1.504 71 HA LYS 10 HA LYS 10 6.324 -3.673 2.960 72 HB2 LYS 10 HB2 LYS 10 6.849 -2.526 4.854 73 HB3 LYS 10 HB1 LYS 10 7.842 -1.351 4.001 74 HG2 LYS 10 HG2 LYS 10 5.898 -0.112 3.288 75 HG3 LYS 10 HG1 LYS 10 4.815 -1.388 3.851 76 HD2 LYS 10 HD2 LYS 10 6.604 -0.471 5.960 77 HD3 LYS 10 HD1 LYS 10 5.617 0.840 5.312 78 HE2 LYS 10 HE2 LYS 10 3.582 -0.409 5.718 79 HE3 LYS 10 HE1 LYS 10 4.503 -1.839 6.187 80 HZ1 LYS 10 HZ1 LYS 10 4.207 -1.010 8.237 81 HZ2 LYS 10 HZ2 LYS 10 3.932 0.574 7.689 82 HZ3 LYS 10 HZ3 LYS 10 5.519 -0.012 7.838 83 H ILE 11 HN ILE 11 4.347 -2.761 2.336 84 HA ILE 11 HA ILE 11 4.374 -0.678 0.285 85 HB ILE 11 HB ILE 11 3.303 -1.943 -1.399 86 HG12 ILE 11 HG12 ILE 11 3.027 -4.553 -0.664 87 HG13 ILE 11 HG11 ILE 11 2.674 -3.756 0.867 88 HG21 ILE 11 HG21 ILE 11 4.896 -3.703 -1.886 89 HG22 ILE 11 HG22 ILE 11 5.377 -3.794 -0.194 90 HG23 ILE 11 HG23 ILE 11 5.754 -2.356 -1.142 91 HD11 ILE 11 HD11 ILE 11 1.215 -3.569 -1.750 92 HD12 ILE 11 HD12 ILE 11 1.152 -2.203 -0.638 93 HD13 ILE 11 HD13 ILE 11 0.563 -3.784 -0.126 94 H ILE 12 HN ILE 12 2.437 0.416 0.073 95 HA ILE 12 HA ILE 12 0.493 -0.111 2.225 96 HB ILE 12 HB ILE 12 0.769 2.391 0.550 97 HG12 ILE 12 HG12 ILE 12 2.882 2.099 1.682 98 HG13 ILE 12 HG11 ILE 12 1.963 3.304 2.581 99 HG21 ILE 12 HG21 ILE 12 -0.960 3.164 1.768 100 HG22 ILE 12 HG22 ILE 12 -0.204 2.649 3.276 101 HG23 ILE 12 HG23 ILE 12 -1.188 1.515 2.351 102 HD11 ILE 12 HD11 ILE 12 2.502 0.429 3.302 103 HD12 ILE 12 HD12 ILE 12 1.137 1.293 4.007 104 HD13 ILE 12 HD13 ILE 12 2.779 1.878 4.267 105 H ARG 13 HN ARG 13 -1.572 -0.632 1.788 106 HA ARG 13 HA ARG 13 -3.060 0.059 -0.463 107 HB2 ARG 13 HB2 ARG 13 -1.791 -1.193 -1.956 108 HB3 ARG 13 HB1 ARG 13 -1.438 -2.444 -0.766 109 HG2 ARG 13 HG2 ARG 13 -3.573 -3.418 -0.976 110 HG3 ARG 13 HG1 ARG 13 -4.262 -1.967 -1.707 111 HD2 ARG 13 HD2 ARG 13 -2.871 -2.320 -3.715 112 HD3 ARG 13 HD1 ARG 13 -2.193 -3.775 -2.989 113 HE ARG 13 HE ARG 13 -4.825 -4.321 -2.922 114 HH11 ARG 13 HH11 ARG 13 -6.030 -5.195 -4.637 115 HH12 ARG 13 HH12 ARG 13 -5.531 -4.913 -6.272 116 HH21 ARG 13 HH21 ARG 13 -2.770 -3.015 -5.382 117 HH22 ARG 13 HH22 ARG 13 -3.686 -3.678 -6.693 118 H ASN 14 HN ASN 14 -5.168 -0.614 -0.270 119 HA ASN 14 HA ASN 14 -5.826 -2.784 1.574 120 HB2 ASN 14 HB2 ASN 14 -7.533 -0.572 2.215 121 HB3 ASN 14 HB1 ASN 14 -6.468 -1.487 3.280 122 HD21 ASN 14 HD21 ASN 14 -6.654 1.397 1.214 123 HD22 ASN 14 HD22 ASN 14 -5.251 2.130 1.827 124 H GLU 15 HN GLU 15 -7.624 -3.850 0.958 125 HA GLU 15 HA GLU 15 -8.918 -3.048 -1.501 126 HB2 GLU 15 HB2 GLU 15 -9.109 -5.437 0.317 127 HB3 GLU 15 HB1 GLU 15 -10.287 -5.185 -0.971 128 HG2 GLU 15 HG2 GLU 15 -7.445 -4.857 -1.749 129 HG3 GLU 15 HG1 GLU 15 -7.940 -6.498 -1.337 130 H ARG 16 HN ARG 16 -9.490 -1.025 0.075 131 HA ARG 16 HA ARG 16 -12.326 -1.031 0.244 132 HB2 ARG 16 HB2 ARG 16 -11.674 -2.344 2.324 133 HB3 ARG 16 HB1 ARG 16 -10.950 -0.852 2.926 134 HG2 ARG 16 HG2 ARG 16 -13.090 0.303 2.771 135 HG3 ARG 16 HG1 ARG 16 -13.837 -1.117 2.037 136 HD2 ARG 16 HD2 ARG 16 -12.665 -0.963 4.828 137 HD3 ARG 16 HD1 ARG 16 -14.379 -1.021 4.426 138 HE ARG 16 HE ARG 16 -12.586 -3.254 4.541 139 HH11 ARG 16 HH11 ARG 16 -13.441 -5.275 3.953 140 HH12 ARG 16 HH12 ARG 16 -14.918 -5.356 3.052 141 HH21 ARG 16 HH21 ARG 16 -15.332 -1.915 2.916 142 HH22 ARG 16 HH22 ARG 16 -15.988 -3.453 2.465 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -10.207 1.029 0.639 2 HA2 GLY 1 HA2 GLY 1 -11.353 3.629 -0.137 3 HA3 GLY 1 HA1 GLY 1 -9.807 3.384 0.672 4 H SER 2 HN SER 2 -8.727 4.658 -0.892 5 HA SER 2 HA SER 2 -8.001 3.158 -3.290 6 HB2 SER 2 HB2 SER 2 -9.069 5.987 -3.425 7 HB3 SER 2 HB1 SER 2 -8.357 5.096 -4.767 8 HG SER 2 HG SER 2 -10.717 5.038 -4.585 9 H ARG 3 HN ARG 3 -6.269 3.252 -1.389 10 HA ARG 3 HA ARG 3 -4.296 5.238 -2.266 11 HB2 ARG 3 HB2 ARG 3 -4.835 4.716 0.663 12 HB3 ARG 3 HB1 ARG 3 -3.723 5.898 -0.029 13 HG2 ARG 3 HG2 ARG 3 -5.700 6.999 -1.136 14 HG3 ARG 3 HG1 ARG 3 -6.746 5.908 -0.227 15 HD2 ARG 3 HD2 ARG 3 -5.029 6.925 1.707 16 HD3 ARG 3 HD1 ARG 3 -5.347 8.312 0.670 17 HE ARG 3 HE ARG 3 -7.153 7.245 2.534 18 HH11 ARG 3 HH11 ARG 3 -9.345 7.831 2.428 19 HH12 ARG 3 HH12 ARG 3 -10.001 8.442 0.946 20 HH21 ARG 3 HH21 ARG 3 -7.008 8.205 -0.787 21 HH22 ARG 3 HH22 ARG 3 -8.679 8.654 -0.874 22 H GLY 4 HN GLY 4 -2.293 4.401 -2.446 23 HA2 GLY 4 HA2 GLY 4 -1.433 2.122 -0.883 24 HA3 GLY 4 HA1 GLY 4 -1.703 1.756 -2.586 25 H PHE 5 HN PHE 5 0.801 1.428 -1.560 26 HA PHE 5 HA PHE 5 2.367 3.127 -3.243 27 HB2 PHE 5 HB2 PHE 5 1.888 4.484 -1.068 28 HB3 PHE 5 HB1 PHE 5 3.061 3.391 -0.334 29 HD1 PHE 5 HD1 PHE 5 5.372 3.764 -0.600 30 HD2 PHE 5 HD2 PHE 5 2.589 5.703 -3.235 31 HE1 PHE 5 HE1 PHE 5 7.223 5.095 -1.575 32 HE2 PHE 5 HE2 PHE 5 4.440 7.034 -4.211 33 HZ PHE 5 HZ PHE 5 6.757 6.730 -3.381 34 H ARG 6 HN ARG 6 4.644 2.516 -3.230 35 HA ARG 6 HA ARG 6 5.053 -0.223 -2.180 36 HB2 ARG 6 HB2 ARG 6 5.244 0.797 -4.829 37 HB3 ARG 6 HB1 ARG 6 6.883 0.435 -4.290 38 HG2 ARG 6 HG2 ARG 6 5.975 -1.572 -5.284 39 HG3 ARG 6 HG1 ARG 6 6.056 -1.829 -3.541 40 HD2 ARG 6 HD2 ARG 6 3.866 -2.361 -3.635 41 HD3 ARG 6 HD1 ARG 6 3.557 -0.653 -3.934 42 HE ARG 6 HE ARG 6 4.223 -2.152 -6.318 43 HH11 ARG 6 HH11 ARG 6 2.547 -2.360 -7.836 44 HH12 ARG 6 HH12 ARG 6 0.918 -1.990 -7.376 45 HH21 ARG 6 HH21 ARG 6 1.750 -1.147 -4.116 46 HH22 ARG 6 HH22 ARG 6 0.467 -1.304 -5.269 47 H PHE 7 HN PHE 7 6.598 -0.430 -0.681 48 HA PHE 7 HA PHE 7 8.860 1.456 -0.714 49 HB2 PHE 7 HB2 PHE 7 6.769 1.358 1.249 50 HB3 PHE 7 HB1 PHE 7 8.273 0.864 2.017 51 HD1 PHE 7 HD1 PHE 7 10.389 2.387 0.888 52 HD2 PHE 7 HD2 PHE 7 6.316 3.623 1.545 53 HE1 PHE 7 HE1 PHE 7 11.111 4.753 0.956 54 HE2 PHE 7 HE2 PHE 7 7.050 5.987 1.607 55 HZ PHE 7 HZ PHE 7 9.446 6.553 1.313 56 HA DPR 8 HA DPR 8 11.723 -1.846 -0.558 57 HB2 DPR 8 HB2 DPR 8 11.657 -3.158 -2.476 58 HB3 DPR 8 HB1 DPR 8 9.893 -3.340 -2.407 59 HG2 DPR 8 HG2 DPR 8 11.521 -1.083 -3.423 60 HG3 DPR 8 HG1 DPR 8 9.952 -1.688 -3.977 61 HD2 DPR 8 HD2 DPR 8 10.375 0.544 -2.291 62 HD3 DPR 8 HD1 DPR 8 8.821 -0.255 -2.609 63 HA PRO 9 HA PRO 9 10.254 -5.247 1.954 64 HB2 PRO 9 HB2 PRO 9 10.813 -4.317 4.452 65 HB3 PRO 9 HB1 PRO 9 12.070 -4.863 3.324 66 HG2 PRO 9 HG2 PRO 9 11.198 -2.094 3.992 67 HG3 PRO 9 HG1 PRO 9 12.830 -2.732 3.728 68 HD2 PRO 9 HD2 PRO 9 11.451 -1.330 1.818 69 HD3 PRO 9 HD1 PRO 9 12.677 -2.561 1.434 70 H LYS 10 HN LYS 10 8.534 -2.560 1.505 71 HA LYS 10 HA LYS 10 6.271 -3.551 2.984 72 HB2 LYS 10 HB2 LYS 10 7.571 -2.171 4.670 73 HB3 LYS 10 HB1 LYS 10 7.263 -0.772 3.652 74 HG2 LYS 10 HG2 LYS 10 4.755 -1.405 3.877 75 HG3 LYS 10 HG1 LYS 10 5.276 -2.417 5.227 76 HD2 LYS 10 HD2 LYS 10 6.387 -0.415 6.229 77 HD3 LYS 10 HD1 LYS 10 5.705 0.567 4.932 78 HE2 LYS 10 HE2 LYS 10 3.440 -0.570 5.702 79 HE3 LYS 10 HE1 LYS 10 4.316 -0.785 7.217 80 HZ1 LYS 10 HZ1 LYS 10 3.943 1.790 5.786 81 HZ2 LYS 10 HZ2 LYS 10 4.789 1.581 7.244 82 HZ3 LYS 10 HZ3 LYS 10 3.112 1.308 7.184 83 H ILE 11 HN ILE 11 4.324 -2.667 2.324 84 HA ILE 11 HA ILE 11 4.311 -0.572 0.292 85 HB ILE 11 HB ILE 11 3.292 -1.842 -1.421 86 HG12 ILE 11 HG12 ILE 11 3.056 -4.463 -0.733 87 HG13 ILE 11 HG11 ILE 11 2.691 -3.706 0.814 88 HG21 ILE 11 HG21 ILE 11 5.748 -2.215 -1.154 89 HG22 ILE 11 HG22 ILE 11 4.919 -3.568 -1.918 90 HG23 ILE 11 HG23 ILE 11 5.391 -3.669 -0.224 91 HD11 ILE 11 HD11 ILE 11 1.213 -3.527 -1.785 92 HD12 ILE 11 HD12 ILE 11 1.147 -2.148 -0.690 93 HD13 ILE 11 HD13 ILE 11 0.579 -3.727 -0.153 94 H ILE 12 HN ILE 12 2.309 0.442 0.059 95 HA ILE 12 HA ILE 12 0.400 -0.168 2.222 96 HB ILE 12 HB ILE 12 0.520 2.329 0.523 97 HG12 ILE 12 HG12 ILE 12 2.665 2.163 1.624 98 HG13 ILE 12 HG11 ILE 12 1.694 3.323 2.529 99 HG21 ILE 12 HG21 ILE 12 -0.691 3.280 2.487 100 HG22 ILE 12 HG22 ILE 12 -0.728 1.670 3.206 101 HG23 ILE 12 HG23 ILE 12 -1.587 1.983 1.697 102 HD11 ILE 12 HD11 ILE 12 1.003 1.281 3.984 103 HD12 ILE 12 HD12 ILE 12 2.616 1.955 4.211 104 HD13 ILE 12 HD13 ILE 12 2.400 0.486 3.261 105 H ARG 13 HN ARG 13 -1.773 -0.464 1.817 106 HA ARG 13 HA ARG 13 -2.929 -0.144 -0.783 107 HB2 ARG 13 HB2 ARG 13 -3.026 -2.307 -1.570 108 HB3 ARG 13 HB1 ARG 13 -1.458 -2.351 -0.765 109 HG2 ARG 13 HG2 ARG 13 -2.776 -3.114 1.331 110 HG3 ARG 13 HG1 ARG 13 -4.097 -3.446 0.210 111 HD2 ARG 13 HD2 ARG 13 -1.432 -4.778 0.447 112 HD3 ARG 13 HD1 ARG 13 -3.020 -5.492 0.185 113 HE ARG 13 HE ARG 13 -2.467 -3.993 -2.088 114 HH11 ARG 13 HH11 ARG 13 -1.553 -4.961 -3.929 115 HH12 ARG 13 HH12 ARG 13 -0.653 -6.432 -3.769 116 HH21 ARG 13 HH21 ARG 13 -1.087 -6.640 -0.336 117 HH22 ARG 13 HH22 ARG 13 -0.388 -7.382 -1.736 118 H ASN 14 HN ASN 14 -5.194 -0.887 -0.837 119 HA ASN 14 HA ASN 14 -6.369 -1.329 1.827 120 HB2 ASN 14 HB2 ASN 14 -6.371 1.161 0.651 121 HB3 ASN 14 HB1 ASN 14 -7.923 0.496 0.141 122 HD21 ASN 14 HD21 ASN 14 -5.926 0.692 3.150 123 HD22 ASN 14 HD22 ASN 14 -7.252 0.957 4.177 124 H GLU 15 HN GLU 15 -8.968 -1.402 1.303 125 HA GLU 15 HA GLU 15 -9.365 -3.115 -1.058 126 HB2 GLU 15 HB2 GLU 15 -8.932 -4.391 1.186 127 HB3 GLU 15 HB1 GLU 15 -10.588 -3.909 1.563 128 HG2 GLU 15 HG2 GLU 15 -11.148 -4.831 -0.808 129 HG3 GLU 15 HG1 GLU 15 -9.602 -5.666 -0.674 130 H ARG 16 HN ARG 16 -10.435 -0.697 1.076 131 HA ARG 16 HA ARG 16 -13.086 -0.651 -0.241 132 HB2 ARG 16 HB2 ARG 16 -13.048 -1.240 2.257 133 HB3 ARG 16 HB1 ARG 16 -12.554 0.432 2.523 134 HG2 ARG 16 HG2 ARG 16 -14.563 1.242 1.387 135 HG3 ARG 16 HG1 ARG 16 -15.048 -0.414 1.017 136 HD2 ARG 16 HD2 ARG 16 -14.561 0.474 3.856 137 HD3 ARG 16 HD1 ARG 16 -16.124 0.713 3.081 138 HE ARG 16 HE ARG 16 -15.093 -1.760 4.076 139 HH11 ARG 16 HH11 ARG 16 -16.332 -3.623 3.687 140 HH12 ARG 16 HH12 ARG 16 -17.550 -3.605 2.456 141 HH21 ARG 16 HH21 ARG 16 -16.956 -0.314 1.542 142 HH22 ARG 16 HH22 ARG 16 -17.903 -1.732 1.241 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -9.373 1.656 1.550 2 HA2 GLY 1 HA2 GLY 1 -10.792 3.608 -0.038 3 HA3 GLY 1 HA1 GLY 1 -10.631 4.064 1.655 4 H SER 2 HN SER 2 -8.014 2.350 1.478 5 HA SER 2 HA SER 2 -6.180 4.434 1.417 6 HB2 SER 2 HB2 SER 2 -6.090 1.585 1.614 7 HB3 SER 2 HB1 SER 2 -4.869 2.098 0.453 8 HG SER 2 HG SER 2 -4.939 3.760 2.575 9 H ARG 3 HN ARG 3 -4.156 3.951 -0.301 10 HA ARG 3 HA ARG 3 -5.297 4.082 -3.014 11 HB2 ARG 3 HB2 ARG 3 -3.242 6.066 -2.025 12 HB3 ARG 3 HB1 ARG 3 -4.118 6.087 -3.556 13 HG2 ARG 3 HG2 ARG 3 -6.240 6.116 -1.973 14 HG3 ARG 3 HG1 ARG 3 -5.092 6.777 -0.808 15 HD2 ARG 3 HD2 ARG 3 -6.047 8.652 -1.951 16 HD3 ARG 3 HD1 ARG 3 -4.419 8.453 -2.592 17 HE ARG 3 HE ARG 3 -5.921 7.000 -4.323 18 HH11 ARG 3 HH11 ARG 3 -6.949 7.863 -6.155 19 HH12 ARG 3 HH12 ARG 3 -7.399 9.535 -6.182 20 HH21 ARG 3 HH21 ARG 3 -6.180 10.188 -3.003 21 HH22 ARG 3 HH22 ARG 3 -6.964 10.851 -4.397 22 H GLY 4 HN GLY 4 -3.582 2.198 -1.319 23 HA2 GLY 4 HA2 GLY 4 -1.787 0.788 -1.645 24 HA3 GLY 4 HA1 GLY 4 -1.960 1.179 -3.359 25 H PHE 5 HN PHE 5 0.541 0.745 -2.066 26 HA PHE 5 HA PHE 5 1.979 3.027 -2.964 27 HB2 PHE 5 HB2 PHE 5 1.029 3.839 -0.741 28 HB3 PHE 5 HB1 PHE 5 2.070 2.642 0.029 29 HD1 PHE 5 HD1 PHE 5 4.207 3.321 0.683 30 HD2 PHE 5 HD2 PHE 5 2.272 5.325 -2.593 31 HE1 PHE 5 HE1 PHE 5 6.125 4.880 0.500 32 HE2 PHE 5 HE2 PHE 5 4.193 6.882 -2.772 33 HZ PHE 5 HZ PHE 5 6.118 6.660 -1.225 34 H ARG 6 HN ARG 6 4.344 2.835 -2.411 35 HA ARG 6 HA ARG 6 5.121 0.022 -1.930 36 HB2 ARG 6 HB2 ARG 6 5.263 1.175 -4.404 37 HB3 ARG 6 HB1 ARG 6 6.820 1.665 -3.739 38 HG2 ARG 6 HG2 ARG 6 7.464 -0.624 -3.331 39 HG3 ARG 6 HG1 ARG 6 5.842 -1.208 -3.715 40 HD2 ARG 6 HD2 ARG 6 7.958 -1.011 -5.498 41 HD3 ARG 6 HD1 ARG 6 6.261 -1.210 -5.925 42 HE ARG 6 HE ARG 6 7.126 1.539 -5.496 43 HH11 ARG 6 HH11 ARG 6 6.959 2.876 -7.323 44 HH12 ARG 6 HH12 ARG 6 6.675 2.175 -8.880 45 HH21 ARG 6 HH21 ARG 6 6.600 -1.083 -7.695 46 HH22 ARG 6 HH22 ARG 6 6.472 -0.067 -9.091 47 H PHE 7 HN PHE 7 6.507 -0.178 -0.294 48 HA PHE 7 HA PHE 7 8.311 2.069 0.325 49 HB2 PHE 7 HB2 PHE 7 6.060 1.378 1.841 50 HB3 PHE 7 HB1 PHE 7 7.416 0.717 2.742 51 HD1 PHE 7 HD1 PHE 7 9.612 2.543 2.326 52 HD2 PHE 7 HD2 PHE 7 5.420 3.433 2.741 53 HE1 PHE 7 HE1 PHE 7 10.170 4.821 3.125 54 HE2 PHE 7 HE2 PHE 7 5.988 5.709 3.537 55 HZ PHE 7 HZ PHE 7 8.360 6.404 3.729 56 HA DPR 8 HA DPR 8 11.789 -0.581 0.370 57 HB2 DPR 8 HB2 DPR 8 12.256 -1.455 -1.731 58 HB3 DPR 8 HB1 DPR 8 10.586 -1.999 -1.983 59 HG2 DPR 8 HG2 DPR 8 11.765 0.701 -2.308 60 HG3 DPR 8 HG1 DPR 8 10.466 -0.085 -3.219 61 HD2 DPR 8 HD2 DPR 8 10.124 1.797 -1.144 62 HD3 DPR 8 HD1 DPR 8 8.859 0.755 -1.831 63 HA PRO 9 HA PRO 9 10.828 -4.654 1.967 64 HB2 PRO 9 HB2 PRO 9 10.861 -4.165 4.648 65 HB3 PRO 9 HB1 PRO 9 12.333 -4.231 3.661 66 HG2 PRO 9 HG2 PRO 9 10.826 -1.865 4.655 67 HG3 PRO 9 HG1 PRO 9 12.575 -2.123 4.540 68 HD2 PRO 9 HD2 PRO 9 11.162 -0.641 2.717 69 HD3 PRO 9 HD1 PRO 9 12.657 -1.516 2.316 70 H LYS 10 HN LYS 10 8.670 -2.269 1.774 71 HA LYS 10 HA LYS 10 6.487 -3.934 2.714 72 HB2 LYS 10 HB2 LYS 10 6.511 -2.903 4.742 73 HB3 LYS 10 HB1 LYS 10 7.376 -1.494 4.140 74 HG2 LYS 10 HG2 LYS 10 5.354 -0.552 3.221 75 HG3 LYS 10 HG1 LYS 10 4.462 -2.047 3.514 76 HD2 LYS 10 HD2 LYS 10 4.058 -1.501 5.663 77 HD3 LYS 10 HD1 LYS 10 5.734 -1.017 5.932 78 HE2 LYS 10 HE2 LYS 10 3.765 0.702 4.408 79 HE3 LYS 10 HE1 LYS 10 4.003 0.843 6.150 80 HZ1 LYS 10 HZ1 LYS 10 6.069 1.191 4.046 81 HZ2 LYS 10 HZ2 LYS 10 6.384 1.202 5.716 82 HZ3 LYS 10 HZ3 LYS 10 5.406 2.408 5.025 83 H ILE 11 HN ILE 11 4.488 -3.357 1.845 84 HA ILE 11 HA ILE 11 4.356 -1.086 0.015 85 HB ILE 11 HB ILE 11 3.832 -2.325 -1.933 86 HG12 ILE 11 HG12 ILE 11 4.060 -5.003 -1.499 87 HG13 ILE 11 HG11 ILE 11 3.339 -4.501 0.026 88 HG21 ILE 11 HG21 ILE 11 6.255 -2.241 -1.333 89 HG22 ILE 11 HG22 ILE 11 5.831 -3.635 -2.324 90 HG23 ILE 11 HG23 ILE 11 6.091 -3.833 -0.593 91 HD11 ILE 11 HD11 ILE 11 2.225 -4.322 -2.751 92 HD12 ILE 11 HD12 ILE 11 1.721 -3.123 -1.562 93 HD13 ILE 11 HD13 ILE 11 1.432 -4.836 -1.263 94 H ILE 12 HN ILE 12 2.290 -0.368 -0.382 95 HA ILE 12 HA ILE 12 0.187 -1.631 1.264 96 HB ILE 12 HB ILE 12 0.247 1.186 0.163 97 HG12 ILE 12 HG12 ILE 12 2.107 0.976 1.696 98 HG13 ILE 12 HG11 ILE 12 0.807 1.823 2.534 99 HG21 ILE 12 HG21 ILE 12 -1.482 -0.262 2.177 100 HG22 ILE 12 HG22 ILE 12 -1.989 0.510 0.675 101 HG23 ILE 12 HG23 ILE 12 -1.447 1.495 2.034 102 HD11 ILE 12 HD11 ILE 12 1.484 0.230 4.117 103 HD12 ILE 12 HD12 ILE 12 1.751 -1.012 2.895 104 HD13 ILE 12 HD13 ILE 12 0.109 -0.561 3.349 105 H ARG 13 HN ARG 13 -1.993 -1.606 0.410 106 HA ARG 13 HA ARG 13 -2.130 -1.569 -2.540 107 HB2 ARG 13 HB2 ARG 13 -1.992 -3.905 -1.260 108 HB3 ARG 13 HB1 ARG 13 -3.715 -3.596 -1.054 109 HG2 ARG 13 HG2 ARG 13 -3.690 -4.713 -3.103 110 HG3 ARG 13 HG1 ARG 13 -3.639 -3.027 -3.617 111 HD2 ARG 13 HD2 ARG 13 -0.998 -3.463 -3.334 112 HD3 ARG 13 HD1 ARG 13 -1.510 -5.105 -3.713 113 HE ARG 13 HE ARG 13 -2.740 -3.700 -5.649 114 HH11 ARG 13 HH11 ARG 13 -1.794 -3.055 -7.610 115 HH12 ARG 13 HH12 ARG 13 -0.083 -2.804 -7.700 116 HH21 ARG 13 HH21 ARG 13 0.477 -3.610 -4.374 117 HH22 ARG 13 HH22 ARG 13 1.203 -3.118 -5.868 118 H ASN 14 HN ASN 14 -4.904 -2.599 -2.332 119 HA ASN 14 HA ASN 14 -6.299 -0.473 -0.896 120 HB2 ASN 14 HB2 ASN 14 -6.387 -0.807 -3.895 121 HB3 ASN 14 HB1 ASN 14 -7.613 0.076 -2.987 122 HD21 ASN 14 HD21 ASN 14 -5.799 1.238 -1.013 123 HD22 ASN 14 HD22 ASN 14 -4.841 2.374 -1.827 124 H GLU 15 HN GLU 15 -8.398 -0.954 -0.385 125 HA GLU 15 HA GLU 15 -9.997 -2.948 -1.541 126 HB2 GLU 15 HB2 GLU 15 -7.935 -3.986 0.153 127 HB3 GLU 15 HB1 GLU 15 -9.492 -4.233 0.943 128 HG2 GLU 15 HG2 GLU 15 -10.376 -5.261 -1.122 129 HG3 GLU 15 HG1 GLU 15 -8.814 -5.026 -1.904 130 H ARG 16 HN ARG 16 -9.510 -0.379 0.313 131 HA ARG 16 HA ARG 16 -12.162 -0.578 1.549 132 HB2 ARG 16 HB2 ARG 16 -10.048 -1.083 3.126 133 HB3 ARG 16 HB1 ARG 16 -10.039 0.679 3.212 134 HG2 ARG 16 HG2 ARG 16 -11.488 0.169 4.956 135 HG3 ARG 16 HG1 ARG 16 -12.632 0.366 3.628 136 HD2 ARG 16 HD2 ARG 16 -12.234 -2.191 3.247 137 HD3 ARG 16 HD1 ARG 16 -11.633 -2.170 4.901 138 HE ARG 16 HE ARG 16 -13.814 -1.769 5.653 139 HH11 ARG 16 HH11 ARG 16 -16.058 -1.731 5.313 140 HH12 ARG 16 HH12 ARG 16 -16.684 -1.612 3.702 141 HH21 ARG 16 HH21 ARG 16 -13.556 -1.525 2.210 142 HH22 ARG 16 HH22 ARG 16 -15.267 -1.496 1.946 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -9.012 6.540 -3.469 2 HA2 GLY 1 HA2 GLY 1 -6.204 6.956 -3.932 3 HA3 GLY 1 HA1 GLY 1 -7.377 8.179 -3.449 4 H SER 2 HN SER 2 -7.674 5.582 -1.403 5 HA SER 2 HA SER 2 -6.819 6.930 0.894 6 HB2 SER 2 HB2 SER 2 -7.025 3.940 0.485 7 HB3 SER 2 HB1 SER 2 -7.036 4.786 2.030 8 HG SER 2 HG SER 2 -9.100 4.957 1.727 9 H ARG 3 HN ARG 3 -5.353 3.971 1.154 10 HA ARG 3 HA ARG 3 -2.665 5.108 0.637 11 HB2 ARG 3 HB2 ARG 3 -2.982 2.967 2.681 12 HB3 ARG 3 HB1 ARG 3 -1.859 4.324 2.636 13 HG2 ARG 3 HG2 ARG 3 -3.262 5.034 4.330 14 HG3 ARG 3 HG1 ARG 3 -4.102 5.738 2.949 15 HD2 ARG 3 HD2 ARG 3 -5.842 4.633 4.040 16 HD3 ARG 3 HD1 ARG 3 -5.331 3.417 2.872 17 HE ARG 3 HE ARG 3 -4.627 2.102 4.644 18 HH11 ARG 3 HH11 ARG 3 -4.255 1.669 6.843 19 HH12 ARG 3 HH12 ARG 3 -4.292 2.965 7.993 20 HH21 ARG 3 HH21 ARG 3 -4.992 5.400 5.626 21 HH22 ARG 3 HH22 ARG 3 -4.709 5.077 7.304 22 H GLY 4 HN GLY 4 -1.568 4.059 -0.863 23 HA2 GLY 4 HA2 GLY 4 -1.384 1.215 -1.017 24 HA3 GLY 4 HA1 GLY 4 -2.442 1.847 -2.282 25 H PHE 5 HN PHE 5 0.652 0.959 -1.682 26 HA PHE 5 HA PHE 5 1.746 1.691 -4.098 27 HB2 PHE 5 HB2 PHE 5 1.716 3.991 -3.773 28 HB3 PHE 5 HB1 PHE 5 1.986 3.852 -2.034 29 HD1 PHE 5 HD1 PHE 5 3.621 3.324 -5.350 30 HD2 PHE 5 HD2 PHE 5 4.170 3.997 -1.142 31 HE1 PHE 5 HE1 PHE 5 6.053 3.634 -5.718 32 HE2 PHE 5 HE2 PHE 5 6.603 4.308 -1.512 33 HZ PHE 5 HZ PHE 5 7.544 4.127 -3.799 34 H ARG 6 HN ARG 6 3.415 0.338 -4.298 35 HA ARG 6 HA ARG 6 4.500 -1.173 -2.213 36 HB2 ARG 6 HB2 ARG 6 4.829 -0.976 -5.023 37 HB3 ARG 6 HB1 ARG 6 6.438 -0.807 -4.324 38 HG2 ARG 6 HG2 ARG 6 6.120 -3.148 -4.639 39 HG3 ARG 6 HG1 ARG 6 5.889 -2.877 -2.914 40 HD2 ARG 6 HD2 ARG 6 3.981 -4.091 -3.301 41 HD3 ARG 6 HD1 ARG 6 3.353 -2.507 -3.747 42 HE ARG 6 HE ARG 6 4.581 -3.888 -5.959 43 HH11 ARG 6 HH11 ARG 6 3.170 -4.582 -7.598 44 HH12 ARG 6 HH12 ARG 6 1.467 -4.649 -7.296 45 HH21 ARG 6 HH21 ARG 6 1.733 -3.515 -4.030 46 HH22 ARG 6 HH22 ARG 6 0.652 -4.043 -5.276 47 H PHE 7 HN PHE 7 6.202 -0.886 -0.820 48 HA PHE 7 HA PHE 7 7.882 1.510 -1.177 49 HB2 PHE 7 HB2 PHE 7 5.800 1.533 0.569 50 HB3 PHE 7 HB1 PHE 7 7.082 0.933 1.616 51 HD1 PHE 7 HD1 PHE 7 9.474 2.287 0.474 52 HD2 PHE 7 HD2 PHE 7 5.502 3.782 1.184 53 HE1 PHE 7 HE1 PHE 7 10.371 4.588 0.659 54 HE2 PHE 7 HE2 PHE 7 6.407 6.082 1.368 55 HZ PHE 7 HZ PHE 7 8.839 6.486 1.106 56 HA DPR 8 HA DPR 8 11.501 -0.872 -0.596 57 HB2 DPR 8 HB2 DPR 8 11.775 -2.515 -2.219 58 HB3 DPR 8 HB1 DPR 8 10.120 -3.126 -2.017 59 HG2 DPR 8 HG2 DPR 8 11.096 -0.774 -3.535 60 HG3 DPR 8 HG1 DPR 8 9.738 -1.859 -3.875 61 HD2 DPR 8 HD2 DPR 8 9.570 0.697 -2.668 62 HD3 DPR 8 HD1 DPR 8 8.277 -0.519 -2.748 63 HA PRO 9 HA PRO 9 11.025 -3.943 2.619 64 HB2 PRO 9 HB2 PRO 9 11.224 -2.379 4.850 65 HB3 PRO 9 HB1 PRO 9 12.615 -2.798 3.831 66 HG2 PRO 9 HG2 PRO 9 11.016 -0.289 3.912 67 HG3 PRO 9 HG1 PRO 9 12.764 -0.510 3.727 68 HD2 PRO 9 HD2 PRO 9 11.103 0.029 1.618 69 HD3 PRO 9 HD1 PRO 9 12.615 -0.894 1.455 70 H LYS 10 HN LYS 10 8.648 -1.982 1.696 71 HA LYS 10 HA LYS 10 6.681 -3.250 3.366 72 HB2 LYS 10 HB2 LYS 10 6.838 -1.648 4.977 73 HB3 LYS 10 HB1 LYS 10 7.535 -0.459 3.884 74 HG2 LYS 10 HG2 LYS 10 5.369 0.074 2.963 75 HG3 LYS 10 HG1 LYS 10 4.622 -1.293 3.795 76 HD2 LYS 10 HD2 LYS 10 6.072 0.657 5.501 77 HD3 LYS 10 HD1 LYS 10 4.565 1.217 4.774 78 HE2 LYS 10 HE2 LYS 10 3.372 -0.715 5.702 79 HE3 LYS 10 HE1 LYS 10 4.875 -1.334 6.386 80 HZ1 LYS 10 HZ1 LYS 10 3.455 1.165 7.111 81 HZ2 LYS 10 HZ2 LYS 10 5.037 0.813 7.621 82 HZ3 LYS 10 HZ3 LYS 10 3.747 -0.183 8.097 83 H ILE 11 HN ILE 11 4.575 -3.016 2.590 84 HA ILE 11 HA ILE 11 4.226 -1.504 0.096 85 HB ILE 11 HB ILE 11 3.420 -3.341 -1.153 86 HG12 ILE 11 HG12 ILE 11 3.448 -5.670 0.119 87 HG13 ILE 11 HG11 ILE 11 3.237 -4.660 1.544 88 HG21 ILE 11 HG21 ILE 11 5.321 -4.677 -1.370 89 HG22 ILE 11 HG22 ILE 11 5.646 -4.674 0.362 90 HG23 ILE 11 HG23 ILE 11 5.959 -3.228 -0.597 91 HD11 ILE 11 HD11 ILE 11 1.283 -5.433 -0.450 92 HD12 ILE 11 HD12 ILE 11 1.376 -3.678 -0.352 93 HD13 ILE 11 HD13 ILE 11 1.027 -4.624 1.092 94 H ILE 12 HN ILE 12 2.345 -0.469 0.023 95 HA ILE 12 HA ILE 12 0.316 -1.146 2.061 96 HB ILE 12 HB ILE 12 0.589 1.438 0.513 97 HG12 ILE 12 HG12 ILE 12 2.615 1.177 1.807 98 HG13 ILE 12 HG11 ILE 12 1.577 2.320 2.657 99 HG21 ILE 12 HG21 ILE 12 -1.611 1.183 1.418 100 HG22 ILE 12 HG22 ILE 12 -0.748 2.268 2.506 101 HG23 ILE 12 HG23 ILE 12 -0.982 0.579 2.950 102 HD11 ILE 12 HD11 ILE 12 0.710 0.212 3.934 103 HD12 ILE 12 HD12 ILE 12 2.277 0.884 4.377 104 HD13 ILE 12 HD13 ILE 12 2.189 -0.545 3.348 105 H ARG 13 HN ARG 13 -1.955 -0.852 1.416 106 HA ARG 13 HA ARG 13 -2.644 -0.795 -1.370 107 HB2 ARG 13 HB2 ARG 13 -2.027 -3.004 -1.608 108 HB3 ARG 13 HB1 ARG 13 -2.393 -3.391 0.070 109 HG2 ARG 13 HG2 ARG 13 -4.721 -3.506 -0.338 110 HG3 ARG 13 HG1 ARG 13 -4.580 -2.634 -1.866 111 HD2 ARG 13 HD2 ARG 13 -3.499 -5.410 -1.309 112 HD3 ARG 13 HD1 ARG 13 -4.937 -5.040 -2.256 113 HE ARG 13 HE ARG 13 -3.034 -3.613 -3.538 114 HH11 ARG 13 HH11 ARG 13 -1.672 -4.436 -5.160 115 HH12 ARG 13 HH12 ARG 13 -1.291 -6.126 -5.187 116 HH21 ARG 13 HH21 ARG 13 -3.186 -6.870 -2.380 117 HH22 ARG 13 HH22 ARG 13 -2.147 -7.504 -3.613 118 H ASN 14 HN ASN 14 -4.812 -0.435 -1.680 119 HA ASN 14 HA ASN 14 -6.643 -0.736 0.587 120 HB2 ASN 14 HB2 ASN 14 -7.472 1.590 0.278 121 HB3 ASN 14 HB1 ASN 14 -5.812 1.525 0.869 122 HD21 ASN 14 HD21 ASN 14 -4.231 1.232 -1.297 123 HD22 ASN 14 HD22 ASN 14 -4.514 2.439 -2.458 124 H GLU 15 HN GLU 15 -8.001 1.407 -1.466 125 HA GLU 15 HA GLU 15 -8.763 -0.383 -3.606 126 HB2 GLU 15 HB2 GLU 15 -10.193 -1.209 -1.784 127 HB3 GLU 15 HB1 GLU 15 -10.813 0.421 -1.526 128 HG2 GLU 15 HG2 GLU 15 -10.982 -0.569 -4.313 129 HG3 GLU 15 HG1 GLU 15 -12.007 -1.407 -3.151 130 H ARG 16 HN ARG 16 -8.168 2.616 -2.418 131 HA ARG 16 HA ARG 16 -9.235 3.895 -4.797 132 HB2 ARG 16 HB2 ARG 16 -10.940 3.889 -2.738 133 HB3 ARG 16 HB1 ARG 16 -9.965 5.279 -2.266 134 HG2 ARG 16 HG2 ARG 16 -11.579 6.287 -3.618 135 HG3 ARG 16 HG1 ARG 16 -10.285 5.994 -4.779 136 HD2 ARG 16 HD2 ARG 16 -11.561 3.640 -4.986 137 HD3 ARG 16 HD1 ARG 16 -12.925 4.644 -4.501 138 HE ARG 16 HE ARG 16 -11.841 6.105 -6.493 139 HH11 ARG 16 HH11 ARG 16 -12.284 5.822 -8.703 140 HH12 ARG 16 HH12 ARG 16 -12.770 4.266 -9.291 141 HH21 ARG 16 HH21 ARG 16 -12.623 2.748 -6.177 142 HH22 ARG 16 HH22 ARG 16 -12.962 2.527 -7.860 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -8.555 1.923 -1.935 2 HA2 GLY 1 HA2 GLY 1 -10.947 3.228 -2.524 3 HA3 GLY 1 HA1 GLY 1 -11.245 2.240 -1.099 4 H SER 2 HN SER 2 -8.127 2.763 -0.741 5 HA SER 2 HA SER 2 -8.356 5.474 0.395 6 HB2 SER 2 HB2 SER 2 -6.894 3.409 1.972 7 HB3 SER 2 HB1 SER 2 -7.746 4.849 2.521 8 HG SER 2 HG SER 2 -9.145 2.733 1.300 9 H ARG 3 HN ARG 3 -7.013 4.241 -1.979 10 HA ARG 3 HA ARG 3 -5.029 4.480 -3.110 11 HB2 ARG 3 HB2 ARG 3 -4.080 6.232 -0.845 12 HB3 ARG 3 HB1 ARG 3 -3.643 6.313 -2.552 13 HG2 ARG 3 HG2 ARG 3 -6.124 6.797 -3.001 14 HG3 ARG 3 HG1 ARG 3 -6.267 7.076 -1.265 15 HD2 ARG 3 HD2 ARG 3 -5.672 9.208 -1.782 16 HD3 ARG 3 HD1 ARG 3 -4.041 8.548 -1.854 17 HE ARG 3 HE ARG 3 -4.083 8.962 -4.125 18 HH11 ARG 3 HH11 ARG 3 -5.074 9.416 -6.118 19 HH12 ARG 3 HH12 ARG 3 -6.802 9.406 -6.242 20 HH21 ARG 3 HH21 ARG 3 -7.302 8.598 -2.908 21 HH22 ARG 3 HH22 ARG 3 -8.063 8.942 -4.425 22 H GLY 4 HN GLY 4 -2.959 3.585 -3.197 23 HA2 GLY 4 HA2 GLY 4 -1.982 2.266 -0.737 24 HA3 GLY 4 HA1 GLY 4 -2.146 1.360 -2.242 25 H PHE 5 HN PHE 5 0.306 1.656 -0.857 26 HA PHE 5 HA PHE 5 1.867 2.956 -2.967 27 HB2 PHE 5 HB2 PHE 5 1.548 4.681 -1.213 28 HB3 PHE 5 HB1 PHE 5 2.287 3.595 -0.039 29 HD1 PHE 5 HD1 PHE 5 4.613 3.633 0.269 30 HD2 PHE 5 HD2 PHE 5 2.936 5.150 -3.386 31 HE1 PHE 5 HE1 PHE 5 6.860 4.403 -0.445 32 HE2 PHE 5 HE2 PHE 5 5.184 5.918 -4.098 33 HZ PHE 5 HZ PHE 5 7.145 5.544 -2.628 34 H ARG 6 HN ARG 6 4.109 2.317 -2.964 35 HA ARG 6 HA ARG 6 4.564 -0.261 -1.579 36 HB2 ARG 6 HB2 ARG 6 4.421 0.094 -4.288 37 HB3 ARG 6 HB1 ARG 6 6.138 0.386 -4.017 38 HG2 ARG 6 HG2 ARG 6 6.420 -1.783 -2.976 39 HG3 ARG 6 HG1 ARG 6 4.676 -2.069 -2.993 40 HD2 ARG 6 HD2 ARG 6 6.475 -1.788 -5.412 41 HD3 ARG 6 HD1 ARG 6 5.705 -3.267 -4.847 42 HE ARG 6 HE ARG 6 3.701 -1.340 -5.283 43 HH11 ARG 6 HH11 ARG 6 2.489 -1.423 -7.202 44 HH12 ARG 6 HH12 ARG 6 3.116 -2.264 -8.579 45 HH21 ARG 6 HH21 ARG 6 6.055 -3.207 -6.999 46 HH22 ARG 6 HH22 ARG 6 5.136 -3.274 -8.465 47 H PHE 7 HN PHE 7 6.452 -0.534 -0.474 48 HA PHE 7 HA PHE 7 8.470 1.607 -0.642 49 HB2 PHE 7 HB2 PHE 7 6.668 1.299 1.479 50 HB3 PHE 7 HB1 PHE 7 8.174 0.623 2.083 51 HD1 PHE 7 HD1 PHE 7 10.282 2.183 0.875 52 HD2 PHE 7 HD2 PHE 7 6.413 3.491 2.237 53 HE1 PHE 7 HE1 PHE 7 11.164 4.476 1.193 54 HE2 PHE 7 HE2 PHE 7 7.305 5.781 2.550 55 HZ PHE 7 HZ PHE 7 9.678 6.274 2.029 56 HA DPR 8 HA DPR 8 11.669 -1.335 -1.138 57 HB2 DPR 8 HB2 DPR 8 11.509 -2.479 -3.154 58 HB3 DPR 8 HB1 DPR 8 9.802 -2.890 -2.897 59 HG2 DPR 8 HG2 DPR 8 11.013 -0.361 -3.862 60 HG3 DPR 8 HG1 DPR 8 9.479 -1.125 -4.308 61 HD2 DPR 8 HD2 DPR 8 9.790 1.001 -2.485 62 HD3 DPR 8 HD1 DPR 8 8.340 -0.006 -2.676 63 HA PRO 9 HA PRO 9 10.846 -5.093 1.174 64 HB2 PRO 9 HB2 PRO 9 11.732 -4.370 3.640 65 HB3 PRO 9 HB1 PRO 9 12.834 -4.675 2.282 66 HG2 PRO 9 HG2 PRO 9 11.861 -2.084 3.385 67 HG3 PRO 9 HG1 PRO 9 13.479 -2.534 2.816 68 HD2 PRO 9 HD2 PRO 9 11.702 -1.088 1.299 69 HD3 PRO 9 HD1 PRO 9 12.961 -2.136 0.606 70 H LYS 10 HN LYS 10 8.913 -2.542 1.226 71 HA LYS 10 HA LYS 10 7.022 -3.776 3.050 72 HB2 LYS 10 HB2 LYS 10 7.740 -2.457 4.756 73 HB3 LYS 10 HB1 LYS 10 8.470 -1.272 3.678 74 HG2 LYS 10 HG2 LYS 10 6.323 -0.250 3.234 75 HG3 LYS 10 HG1 LYS 10 5.475 -1.555 4.067 76 HD2 LYS 10 HD2 LYS 10 6.707 -0.903 6.166 77 HD3 LYS 10 HD1 LYS 10 7.324 0.502 5.295 78 HE2 LYS 10 HE2 LYS 10 4.374 -0.124 5.567 79 HE3 LYS 10 HE1 LYS 10 5.244 0.953 6.659 80 HZ1 LYS 10 HZ1 LYS 10 5.991 2.068 4.462 81 HZ2 LYS 10 HZ2 LYS 10 4.448 2.405 5.092 82 HZ3 LYS 10 HZ3 LYS 10 4.624 1.306 3.807 83 H ILE 11 HN ILE 11 4.893 -3.096 2.746 84 HA ILE 11 HA ILE 11 4.328 -1.153 0.640 85 HB ILE 11 HB ILE 11 3.118 -2.618 -0.770 86 HG12 ILE 11 HG12 ILE 11 3.263 -5.193 0.087 87 HG13 ILE 11 HG11 ILE 11 3.133 -4.364 1.635 88 HG21 ILE 11 HG21 ILE 11 5.608 -2.760 -0.954 89 HG22 ILE 11 HG22 ILE 11 4.783 -4.225 -1.481 90 HG23 ILE 11 HG23 ILE 11 5.567 -4.175 0.096 91 HD11 ILE 11 HD11 ILE 11 0.886 -4.620 1.113 92 HD12 ILE 11 HD12 ILE 11 1.170 -4.490 -0.622 93 HD13 ILE 11 HD13 ILE 11 1.191 -3.044 0.383 94 H ILE 12 HN ILE 12 2.317 -0.214 0.816 95 HA ILE 12 HA ILE 12 0.554 -1.217 2.943 96 HB ILE 12 HB ILE 12 0.531 1.673 2.816 97 HG12 ILE 12 HG12 ILE 12 2.757 1.915 3.997 98 HG13 ILE 12 HG11 ILE 12 3.142 0.278 3.467 99 HG21 ILE 12 HG21 ILE 12 -0.425 0.201 4.601 100 HG22 ILE 12 HG22 ILE 12 0.677 1.426 5.231 101 HG23 ILE 12 HG23 ILE 12 1.219 -0.244 5.061 102 HD11 ILE 12 HD11 ILE 12 3.264 2.749 1.968 103 HD12 ILE 12 HD12 ILE 12 2.178 1.604 1.181 104 HD13 ILE 12 HD13 ILE 12 3.848 1.148 1.515 105 H ARG 13 HN ARG 13 -1.299 -1.714 1.995 106 HA ARG 13 HA ARG 13 -2.657 0.280 0.371 107 HB2 ARG 13 HB2 ARG 13 -1.497 -0.802 -1.402 108 HB3 ARG 13 HB1 ARG 13 -1.801 -2.401 -0.721 109 HG2 ARG 13 HG2 ARG 13 -4.091 -2.341 -1.293 110 HG3 ARG 13 HG1 ARG 13 -4.079 -0.592 -1.515 111 HD2 ARG 13 HD2 ARG 13 -2.200 -2.081 -3.242 112 HD3 ARG 13 HD1 ARG 13 -3.904 -2.389 -3.561 113 HE ARG 13 HE ARG 13 -3.253 0.420 -3.325 114 HH11 ARG 13 HH11 ARG 13 -3.476 1.634 -5.231 115 HH12 ARG 13 HH12 ARG 13 -3.626 0.824 -6.755 116 HH21 ARG 13 HH21 ARG 13 -3.430 -2.355 -5.384 117 HH22 ARG 13 HH22 ARG 13 -3.601 -1.434 -6.842 118 H ASN 14 HN ASN 14 -4.898 -0.150 0.112 119 HA ASN 14 HA ASN 14 -5.947 -2.172 2.004 120 HB2 ASN 14 HB2 ASN 14 -7.951 -0.588 2.103 121 HB3 ASN 14 HB1 ASN 14 -6.474 -0.035 2.889 122 HD21 ASN 14 HD21 ASN 14 -4.940 0.982 0.855 123 HD22 ASN 14 HD22 ASN 14 -5.761 2.222 0.036 124 H GLU 15 HN GLU 15 -8.584 -2.125 1.341 125 HA GLU 15 HA GLU 15 -8.631 -3.692 -1.055 126 HB2 GLU 15 HB2 GLU 15 -10.129 -4.181 0.826 127 HB3 GLU 15 HB1 GLU 15 -10.908 -2.611 0.624 128 HG2 GLU 15 HG2 GLU 15 -12.177 -3.354 -1.090 129 HG3 GLU 15 HG1 GLU 15 -10.795 -4.114 -1.877 130 H ARG 16 HN ARG 16 -7.595 -1.512 -2.036 131 HA ARG 16 HA ARG 16 -7.843 0.340 -3.403 132 HB2 ARG 16 HB2 ARG 16 -8.226 -1.348 -5.019 133 HB3 ARG 16 HB1 ARG 16 -9.846 -1.674 -4.407 134 HG2 ARG 16 HG2 ARG 16 -10.762 0.176 -5.439 135 HG3 ARG 16 HG1 ARG 16 -9.262 1.101 -5.341 136 HD2 ARG 16 HD2 ARG 16 -8.359 0.097 -7.237 137 HD3 ARG 16 HD1 ARG 16 -9.361 -1.343 -7.076 138 HE ARG 16 HE ARG 16 -11.080 -0.231 -8.208 139 HH11 ARG 16 HH11 ARG 16 -11.835 1.481 -9.495 140 HH12 ARG 16 HH12 ARG 16 -10.954 2.971 -9.551 141 HH21 ARG 16 HH21 ARG 16 -8.486 1.900 -7.364 142 HH22 ARG 16 HH22 ARG 16 -9.058 3.208 -8.344 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -9.067 1.878 -3.847 2 HA2 GLY 1 HA2 GLY 1 -10.444 3.866 -3.652 3 HA3 GLY 1 HA1 GLY 1 -10.841 3.369 -2.010 4 H SER 2 HN SER 2 -8.207 2.632 -1.207 5 HA SER 2 HA SER 2 -7.225 5.122 -0.302 6 HB2 SER 2 HB2 SER 2 -6.834 2.545 0.450 7 HB3 SER 2 HB1 SER 2 -5.321 2.859 -0.396 8 HG SER 2 HG SER 2 -6.415 4.092 1.879 9 H ARG 3 HN ARG 3 -4.524 5.136 -0.600 10 HA ARG 3 HA ARG 3 -4.231 5.764 -3.458 11 HB2 ARG 3 HB2 ARG 3 -3.647 7.722 -2.407 12 HB3 ARG 3 HB1 ARG 3 -3.115 6.898 -0.944 13 HG2 ARG 3 HG2 ARG 3 -1.019 6.301 -1.919 14 HG3 ARG 3 HG1 ARG 3 -1.572 6.712 -3.544 15 HD2 ARG 3 HD2 ARG 3 -1.361 8.733 -1.304 16 HD3 ARG 3 HD1 ARG 3 -0.064 8.434 -2.459 17 HE ARG 3 HE ARG 3 -2.173 8.928 -4.079 18 HH11 ARG 3 HH11 ARG 3 -2.833 10.999 -4.740 19 HH12 ARG 3 HH12 ARG 3 -2.487 12.371 -3.742 20 HH21 ARG 3 HH21 ARG 3 -0.884 10.517 -1.289 21 HH22 ARG 3 HH22 ARG 3 -1.384 12.099 -1.788 22 H GLY 4 HN GLY 4 -3.067 3.773 -0.917 23 HA2 GLY 4 HA2 GLY 4 -1.494 2.090 -0.817 24 HA3 GLY 4 HA1 GLY 4 -1.851 1.865 -2.530 25 H PHE 5 HN PHE 5 0.691 1.382 -1.610 26 HA PHE 5 HA PHE 5 2.263 3.061 -3.280 27 HB2 PHE 5 HB2 PHE 5 1.912 4.572 -1.286 28 HB3 PHE 5 HB1 PHE 5 2.803 3.393 -0.324 29 HD1 PHE 5 HD1 PHE 5 5.135 3.553 -0.189 30 HD2 PHE 5 HD2 PHE 5 3.085 5.359 -3.504 31 HE1 PHE 5 HE1 PHE 5 7.273 4.527 -0.981 32 HE2 PHE 5 HE2 PHE 5 5.223 6.334 -4.296 33 HZ PHE 5 HZ PHE 5 7.318 5.917 -3.034 34 H ARG 6 HN ARG 6 4.587 2.494 -3.164 35 HA ARG 6 HA ARG 6 4.976 -0.261 -2.145 36 HB2 ARG 6 HB2 ARG 6 5.201 0.749 -4.788 37 HB3 ARG 6 HB1 ARG 6 6.843 0.449 -4.221 38 HG2 ARG 6 HG2 ARG 6 6.053 -1.598 -5.209 39 HG3 ARG 6 HG1 ARG 6 6.065 -1.839 -3.462 40 HD2 ARG 6 HD2 ARG 6 3.903 -2.461 -3.668 41 HD3 ARG 6 HD1 ARG 6 3.551 -0.757 -3.946 42 HE ARG 6 HE ARG 6 4.359 -2.182 -6.331 43 HH11 ARG 6 HH11 ARG 6 2.751 -2.408 -7.920 44 HH12 ARG 6 HH12 ARG 6 1.094 -2.107 -7.516 45 HH21 ARG 6 HH21 ARG 6 1.767 -1.317 -4.207 46 HH22 ARG 6 HH22 ARG 6 0.537 -1.489 -5.415 47 H PHE 7 HN PHE 7 6.575 -0.524 -0.691 48 HA PHE 7 HA PHE 7 8.760 1.448 -0.632 49 HB2 PHE 7 HB2 PHE 7 6.655 1.478 1.183 50 HB3 PHE 7 HB1 PHE 7 7.933 0.648 2.058 51 HD1 PHE 7 HD1 PHE 7 10.401 1.859 1.126 52 HD2 PHE 7 HD2 PHE 7 6.585 3.713 1.857 53 HE1 PHE 7 HE1 PHE 7 11.524 4.033 1.509 54 HE2 PHE 7 HE2 PHE 7 7.718 5.883 2.236 55 HZ PHE 7 HZ PHE 7 10.186 6.044 2.062 56 HA DPR 8 HA DPR 8 11.721 -1.764 -0.556 57 HB2 DPR 8 HB2 DPR 8 11.667 -3.072 -2.478 58 HB3 DPR 8 HB1 DPR 8 9.913 -3.316 -2.378 59 HG2 DPR 8 HG2 DPR 8 11.442 -1.003 -3.419 60 HG3 DPR 8 HG1 DPR 8 9.882 -1.658 -3.941 61 HD2 DPR 8 HD2 DPR 8 10.275 0.583 -2.253 62 HD3 DPR 8 HD1 DPR 8 8.737 -0.257 -2.551 63 HA PRO 9 HA PRO 9 10.429 -5.215 1.979 64 HB2 PRO 9 HB2 PRO 9 10.951 -4.242 4.473 65 HB3 PRO 9 HB1 PRO 9 12.225 -4.750 3.347 66 HG2 PRO 9 HG2 PRO 9 11.252 -2.011 3.994 67 HG3 PRO 9 HG1 PRO 9 12.905 -2.589 3.725 68 HD2 PRO 9 HD2 PRO 9 11.465 -1.255 1.813 69 HD3 PRO 9 HD1 PRO 9 12.729 -2.445 1.428 70 H LYS 10 HN LYS 10 8.601 -2.612 1.522 71 HA LYS 10 HA LYS 10 6.353 -3.687 2.943 72 HB2 LYS 10 HB2 LYS 10 7.593 -2.341 4.706 73 HB3 LYS 10 HB1 LYS 10 7.260 -0.913 3.736 74 HG2 LYS 10 HG2 LYS 10 4.765 -1.637 3.898 75 HG3 LYS 10 HG1 LYS 10 5.305 -2.665 5.228 76 HD2 LYS 10 HD2 LYS 10 6.290 -0.686 6.339 77 HD3 LYS 10 HD1 LYS 10 5.701 0.332 5.025 78 HE2 LYS 10 HE2 LYS 10 3.401 -0.925 5.668 79 HE3 LYS 10 HE1 LYS 10 4.196 -0.955 7.241 80 HZ1 LYS 10 HZ1 LYS 10 2.790 1.074 6.641 81 HZ2 LYS 10 HZ2 LYS 10 4.087 1.522 5.639 82 HZ3 LYS 10 HZ3 LYS 10 4.323 1.345 7.313 83 H ILE 11 HN ILE 11 4.389 -2.779 2.288 84 HA ILE 11 HA ILE 11 4.427 -0.640 0.299 85 HB ILE 11 HB ILE 11 3.413 -1.872 -1.447 86 HG12 ILE 11 HG12 ILE 11 3.180 -4.508 -0.803 87 HG13 ILE 11 HG11 ILE 11 2.793 -3.772 0.751 88 HG21 ILE 11 HG21 ILE 11 5.507 -3.714 -0.261 89 HG22 ILE 11 HG22 ILE 11 5.868 -2.238 -1.156 90 HG23 ILE 11 HG23 ILE 11 5.054 -3.578 -1.959 91 HD11 ILE 11 HD11 ILE 11 0.694 -3.790 -0.245 92 HD12 ILE 11 HD12 ILE 11 1.348 -3.558 -1.865 93 HD13 ILE 11 HD13 ILE 11 1.263 -2.199 -0.746 94 H ILE 12 HN ILE 12 2.480 0.433 0.086 95 HA ILE 12 HA ILE 12 0.520 -0.170 2.196 96 HB ILE 12 HB ILE 12 0.710 2.315 0.483 97 HG12 ILE 12 HG12 ILE 12 2.813 2.129 1.655 98 HG13 ILE 12 HG11 ILE 12 1.829 3.309 2.519 99 HG21 ILE 12 HG21 ILE 12 -0.569 3.300 2.371 100 HG22 ILE 12 HG22 ILE 12 -0.624 1.713 3.139 101 HG23 ILE 12 HG23 ILE 12 -1.442 1.976 1.599 102 HD11 ILE 12 HD11 ILE 12 1.063 1.278 3.960 103 HD12 ILE 12 HD12 ILE 12 2.668 1.950 4.245 104 HD13 ILE 12 HD13 ILE 12 2.486 0.474 3.298 105 H ARG 13 HN ARG 13 -1.515 -0.776 1.760 106 HA ARG 13 HA ARG 13 -3.037 -0.206 -0.492 107 HB2 ARG 13 HB2 ARG 13 -1.713 -1.399 -1.985 108 HB3 ARG 13 HB1 ARG 13 -1.274 -2.614 -0.784 109 HG2 ARG 13 HG2 ARG 13 -3.353 -3.714 -0.959 110 HG3 ARG 13 HG1 ARG 13 -4.129 -2.317 -1.709 111 HD2 ARG 13 HD2 ARG 13 -3.427 -4.357 -3.203 112 HD3 ARG 13 HD1 ARG 13 -3.155 -2.718 -3.786 113 HE ARG 13 HE ARG 13 -0.929 -3.860 -2.312 114 HH11 ARG 13 HH11 ARG 13 0.963 -4.174 -3.530 115 HH12 ARG 13 HH12 ARG 13 0.900 -4.080 -5.259 116 HH21 ARG 13 HH21 ARG 13 -2.500 -3.407 -5.362 117 HH22 ARG 13 HH22 ARG 13 -1.061 -3.646 -6.296 118 H ASN 14 HN ASN 14 -5.105 -1.000 -0.277 119 HA ASN 14 HA ASN 14 -5.712 -3.279 1.377 120 HB2 ASN 14 HB2 ASN 14 -7.220 -1.596 2.822 121 HB3 ASN 14 HB1 ASN 14 -5.589 -2.057 3.304 122 HD21 ASN 14 HD21 ASN 14 -6.181 0.067 0.530 123 HD22 ASN 14 HD22 ASN 14 -5.547 1.468 1.251 124 H GLU 15 HN GLU 15 -7.524 -4.165 0.614 125 HA GLU 15 HA GLU 15 -9.322 -4.439 -0.822 126 HB2 GLU 15 HB2 GLU 15 -10.089 -1.992 0.784 127 HB3 GLU 15 HB1 GLU 15 -11.214 -2.891 -0.235 128 HG2 GLU 15 HG2 GLU 15 -11.447 -3.732 2.012 129 HG3 GLU 15 HG1 GLU 15 -10.609 -4.964 1.070 130 H ARG 16 HN ARG 16 -9.901 -1.006 -0.774 131 HA ARG 16 HA ARG 16 -8.506 -0.268 -3.114 132 HB2 ARG 16 HB2 ARG 16 -9.908 -1.751 -4.350 133 HB3 ARG 16 HB1 ARG 16 -11.353 -1.196 -3.505 134 HG2 ARG 16 HG2 ARG 16 -11.337 0.896 -4.602 135 HG3 ARG 16 HG1 ARG 16 -9.655 0.717 -5.104 136 HD2 ARG 16 HD2 ARG 16 -11.532 -1.375 -6.058 137 HD3 ARG 16 HD1 ARG 16 -11.743 0.229 -6.753 138 HE ARG 16 HE ARG 16 -9.491 -1.556 -7.169 139 HH11 ARG 16 HH11 ARG 16 -7.965 -0.834 -8.688 140 HH12 ARG 16 HH12 ARG 16 -7.999 0.812 -9.228 141 HH21 ARG 16 HH21 ARG 16 -10.722 1.676 -7.261 142 HH22 ARG 16 HH22 ARG 16 -9.561 2.233 -8.420 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -9.822 1.191 0.506 2 HA2 GLY 1 HA2 GLY 1 -10.920 3.895 0.380 3 HA3 GLY 1 HA1 GLY 1 -9.316 3.444 0.950 4 H SER 2 HN SER 2 -8.721 1.796 -1.383 5 HA SER 2 HA SER 2 -7.986 1.960 -3.572 6 HB2 SER 2 HB2 SER 2 -9.019 3.404 -5.027 7 HB3 SER 2 HB1 SER 2 -10.176 3.484 -3.701 8 HG SER 2 HG SER 2 -9.681 5.566 -4.134 9 H ARG 3 HN ARG 3 -6.413 2.631 -1.325 10 HA ARG 3 HA ARG 3 -4.544 4.533 -2.579 11 HB2 ARG 3 HB2 ARG 3 -5.049 4.517 0.395 12 HB3 ARG 3 HB1 ARG 3 -4.160 5.707 -0.555 13 HG2 ARG 3 HG2 ARG 3 -6.430 6.026 -1.813 14 HG3 ARG 3 HG1 ARG 3 -7.131 5.267 -0.383 15 HD2 ARG 3 HD2 ARG 3 -5.878 6.975 1.007 16 HD3 ARG 3 HD1 ARG 3 -5.476 7.798 -0.496 17 HE ARG 3 HE ARG 3 -8.281 7.354 -0.343 18 HH11 ARG 3 HH11 ARG 3 -9.603 9.135 0.144 19 HH12 ARG 3 HH12 ARG 3 -8.914 10.545 0.876 20 HH21 ARG 3 HH21 ARG 3 -5.700 9.248 0.973 21 HH22 ARG 3 HH22 ARG 3 -6.704 10.609 1.347 22 H GLY 4 HN GLY 4 -2.391 4.050 -2.309 23 HA2 GLY 4 HA2 GLY 4 -1.505 2.024 -0.446 24 HA3 GLY 4 HA1 GLY 4 -1.496 1.492 -2.127 25 H PHE 5 HN PHE 5 0.889 1.381 -1.215 26 HA PHE 5 HA PHE 5 2.391 3.314 -2.647 27 HB2 PHE 5 HB2 PHE 5 1.676 4.544 -0.480 28 HB3 PHE 5 HB1 PHE 5 2.843 3.492 0.321 29 HD1 PHE 5 HD1 PHE 5 5.236 3.398 -0.682 30 HD2 PHE 5 HD2 PHE 5 2.397 6.498 -1.566 31 HE1 PHE 5 HE1 PHE 5 7.081 4.871 -1.440 32 HE2 PHE 5 HE2 PHE 5 4.243 7.972 -2.324 33 HZ PHE 5 HZ PHE 5 6.585 7.158 -2.261 34 H ARG 6 HN ARG 6 3.988 2.089 -3.407 35 HA ARG 6 HA ARG 6 4.843 -0.288 -1.964 36 HB2 ARG 6 HB2 ARG 6 4.551 0.191 -4.621 37 HB3 ARG 6 HB1 ARG 6 6.255 0.601 -4.439 38 HG2 ARG 6 HG2 ARG 6 6.753 -1.591 -3.515 39 HG3 ARG 6 HG1 ARG 6 5.038 -2.012 -3.485 40 HD2 ARG 6 HD2 ARG 6 5.776 -1.129 -6.128 41 HD3 ARG 6 HD1 ARG 6 6.869 -2.404 -5.603 42 HE ARG 6 HE ARG 6 5.060 -3.901 -5.569 43 HH11 ARG 6 HH11 ARG 6 2.958 -4.472 -6.199 44 HH12 ARG 6 HH12 ARG 6 1.830 -3.240 -6.659 45 HH21 ARG 6 HH21 ARG 6 4.056 -0.634 -6.148 46 HH22 ARG 6 HH22 ARG 6 2.452 -1.071 -6.630 47 H PHE 7 HN PHE 7 6.518 -0.342 -0.613 48 HA PHE 7 HA PHE 7 8.690 1.621 -0.962 49 HB2 PHE 7 HB2 PHE 7 6.819 1.462 1.234 50 HB3 PHE 7 HB1 PHE 7 8.448 1.157 1.827 51 HD1 PHE 7 HD1 PHE 7 10.255 2.802 0.395 52 HD2 PHE 7 HD2 PHE 7 6.174 3.689 1.446 53 HE1 PHE 7 HE1 PHE 7 10.741 5.225 0.258 54 HE2 PHE 7 HE2 PHE 7 6.671 6.111 1.302 55 HZ PHE 7 HZ PHE 7 8.950 6.880 0.708 56 HA DPR 8 HA DPR 8 11.741 -1.518 -0.912 57 HB2 DPR 8 HB2 DPR 8 11.600 -2.892 -2.781 58 HB3 DPR 8 HB1 DPR 8 9.857 -3.160 -2.574 59 HG2 DPR 8 HG2 DPR 8 11.288 -0.862 -3.778 60 HG3 DPR 8 HG1 DPR 8 9.711 -1.556 -4.187 61 HD2 DPR 8 HD2 DPR 8 10.164 0.746 -2.600 62 HD3 DPR 8 HD1 DPR 8 8.626 -0.122 -2.783 63 HA PRO 9 HA PRO 9 10.663 -4.899 1.811 64 HB2 PRO 9 HB2 PRO 9 11.301 -3.827 4.236 65 HB3 PRO 9 HB1 PRO 9 12.521 -4.350 3.059 66 HG2 PRO 9 HG2 PRO 9 11.528 -1.610 3.664 67 HG3 PRO 9 HG1 PRO 9 13.175 -2.165 3.322 68 HD2 PRO 9 HD2 PRO 9 11.604 -0.928 1.450 69 HD3 PRO 9 HD1 PRO 9 12.869 -2.106 1.036 70 H LYS 10 HN LYS 10 8.744 -2.353 1.374 71 HA LYS 10 HA LYS 10 6.671 -3.413 3.096 72 HB2 LYS 10 HB2 LYS 10 7.959 -1.718 4.492 73 HB3 LYS 10 HB1 LYS 10 7.411 -0.494 3.358 74 HG2 LYS 10 HG2 LYS 10 5.017 -1.357 3.890 75 HG3 LYS 10 HG1 LYS 10 5.764 -2.126 5.293 76 HD2 LYS 10 HD2 LYS 10 6.762 0.147 5.848 77 HD3 LYS 10 HD1 LYS 10 5.695 0.818 4.615 78 HE2 LYS 10 HE2 LYS 10 3.848 -0.554 5.929 79 HE3 LYS 10 HE1 LYS 10 5.000 -0.410 7.256 80 HZ1 LYS 10 HZ1 LYS 10 4.452 2.005 5.722 81 HZ2 LYS 10 HZ2 LYS 10 4.720 1.812 7.388 82 HZ3 LYS 10 HZ3 LYS 10 3.201 1.444 6.720 83 H ILE 11 HN ILE 11 4.594 -2.749 2.502 84 HA ILE 11 HA ILE 11 4.286 -0.949 0.226 85 HB ILE 11 HB ILE 11 3.212 -2.504 -1.208 86 HG12 ILE 11 HG12 ILE 11 3.306 -5.022 -0.186 87 HG13 ILE 11 HG11 ILE 11 3.009 -4.104 1.287 88 HG21 ILE 11 HG21 ILE 11 4.955 -4.118 -1.660 89 HG22 ILE 11 HG22 ILE 11 5.579 -3.972 -0.020 90 HG23 ILE 11 HG23 ILE 11 5.710 -2.614 -1.137 91 HD11 ILE 11 HD11 ILE 11 1.287 -4.404 -1.145 92 HD12 ILE 11 HD12 ILE 11 1.186 -2.901 -0.231 93 HD13 ILE 11 HD13 ILE 11 0.830 -4.437 0.557 94 H ILE 12 HN ILE 12 2.345 0.079 0.185 95 HA ILE 12 HA ILE 12 0.458 -0.595 2.363 96 HB ILE 12 HB ILE 12 0.746 2.054 0.934 97 HG12 ILE 12 HG12 ILE 12 2.832 1.640 2.090 98 HG13 ILE 12 HG11 ILE 12 1.897 2.782 3.052 99 HG21 ILE 12 HG21 ILE 12 -0.298 2.054 3.646 100 HG22 ILE 12 HG22 ILE 12 -1.258 1.019 2.590 101 HG23 ILE 12 HG23 ILE 12 -1.011 2.715 2.175 102 HD11 ILE 12 HD11 ILE 12 2.624 1.245 4.664 103 HD12 ILE 12 HD12 ILE 12 2.435 -0.130 3.580 104 HD13 ILE 12 HD13 ILE 12 1.014 0.643 4.278 105 H ARG 13 HN ARG 13 -1.642 -0.997 1.897 106 HA ARG 13 HA ARG 13 -3.080 -0.135 -0.333 107 HB2 ARG 13 HB2 ARG 13 -1.824 -1.351 -1.870 108 HB3 ARG 13 HB1 ARG 13 -1.541 -2.676 -0.742 109 HG2 ARG 13 HG2 ARG 13 -3.709 -3.553 -1.035 110 HG3 ARG 13 HG1 ARG 13 -4.326 -2.041 -1.703 111 HD2 ARG 13 HD2 ARG 13 -2.894 -2.355 -3.699 112 HD3 ARG 13 HD1 ARG 13 -2.322 -3.883 -3.036 113 HE ARG 13 HE ARG 13 -4.292 -4.848 -3.768 114 HH11 ARG 13 HH11 ARG 13 -6.388 -4.817 -4.644 115 HH12 ARG 13 HH12 ARG 13 -7.232 -3.313 -4.804 116 HH21 ARG 13 HH21 ARG 13 -4.650 -1.418 -3.476 117 HH22 ARG 13 HH22 ARG 13 -6.248 -1.388 -4.143 118 H ASN 14 HN ASN 14 -5.207 -0.756 -0.216 119 HA ASN 14 HA ASN 14 -5.902 -2.784 1.822 120 HB2 ASN 14 HB2 ASN 14 -7.442 -0.231 1.332 121 HB3 ASN 14 HB1 ASN 14 -7.681 -1.400 2.631 122 HD21 ASN 14 HD21 ASN 14 -7.200 1.290 3.311 123 HD22 ASN 14 HD22 ASN 14 -5.650 1.429 3.989 124 H GLU 15 HN GLU 15 -8.760 -1.724 1.046 125 HA GLU 15 HA GLU 15 -9.157 -2.609 -1.644 126 HB2 GLU 15 HB2 GLU 15 -8.711 -4.747 -0.198 127 HB3 GLU 15 HB1 GLU 15 -10.361 -4.481 0.365 128 HG2 GLU 15 HG2 GLU 15 -11.149 -4.455 -1.981 129 HG3 GLU 15 HG1 GLU 15 -9.501 -4.756 -2.530 130 H ARG 16 HN ARG 16 -9.913 -0.310 -0.331 131 HA ARG 16 HA ARG 16 -12.709 -0.240 -0.836 132 HB2 ARG 16 HB2 ARG 16 -12.605 -1.394 1.435 133 HB3 ARG 16 HB1 ARG 16 -11.994 0.132 2.074 134 HG2 ARG 16 HG2 ARG 16 -14.187 0.658 2.350 135 HG3 ARG 16 HG1 ARG 16 -14.160 0.975 0.614 136 HD2 ARG 16 HD2 ARG 16 -14.893 -1.658 1.926 137 HD3 ARG 16 HD1 ARG 16 -16.020 -0.527 1.180 138 HE ARG 16 HE ARG 16 -14.340 -1.030 -0.858 139 HH11 ARG 16 HH11 ARG 16 -14.468 -2.806 -2.267 140 HH12 ARG 16 HH12 ARG 16 -15.189 -4.285 -1.725 141 HH21 ARG 16 HH21 ARG 16 -15.901 -3.084 1.448 142 HH22 ARG 16 HH22 ARG 16 -16.001 -4.442 0.378 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -8.438 -0.422 -3.589 2 HA2 GLY 1 HA2 GLY 1 -8.177 0.661 -5.738 3 HA3 GLY 1 HA1 GLY 1 -9.906 0.987 -5.734 4 H SER 2 HN SER 2 -8.403 1.418 -2.709 5 HA SER 2 HA SER 2 -8.933 4.245 -2.734 6 HB2 SER 2 HB2 SER 2 -7.477 2.606 -0.651 7 HB3 SER 2 HB1 SER 2 -8.179 4.205 -0.430 8 HG SER 2 HG SER 2 -10.169 2.970 -1.284 9 H ARG 3 HN ARG 3 -6.290 4.047 -0.880 10 HA ARG 3 HA ARG 3 -4.445 4.875 -3.046 11 HB2 ARG 3 HB2 ARG 3 -4.301 5.992 -0.253 12 HB3 ARG 3 HB1 ARG 3 -3.625 6.647 -1.745 13 HG2 ARG 3 HG2 ARG 3 -6.287 6.572 -2.369 14 HG3 ARG 3 HG1 ARG 3 -6.351 6.916 -0.639 15 HD2 ARG 3 HD2 ARG 3 -4.725 8.778 -0.995 16 HD3 ARG 3 HD1 ARG 3 -4.804 8.473 -2.728 17 HE ARG 3 HE ARG 3 -6.784 9.829 -1.133 18 HH11 ARG 3 HH11 ARG 3 -8.617 10.574 -2.251 19 HH12 ARG 3 HH12 ARG 3 -8.961 9.972 -3.839 20 HH21 ARG 3 HH21 ARG 3 -6.193 7.883 -3.933 21 HH22 ARG 3 HH22 ARG 3 -7.587 8.448 -4.790 22 H GLY 4 HN GLY 4 -2.397 4.075 -2.984 23 HA2 GLY 4 HA2 GLY 4 -1.514 2.584 -0.609 24 HA3 GLY 4 HA1 GLY 4 -1.609 1.721 -2.144 25 H PHE 5 HN PHE 5 0.751 1.471 -1.524 26 HA PHE 5 HA PHE 5 2.343 3.087 -3.229 27 HB2 PHE 5 HB2 PHE 5 1.996 4.610 -1.204 28 HB3 PHE 5 HB1 PHE 5 2.973 3.455 -0.300 29 HD1 PHE 5 HD1 PHE 5 5.287 3.766 -0.247 30 HD2 PHE 5 HD2 PHE 5 3.031 5.348 -3.543 31 HE1 PHE 5 HE1 PHE 5 7.346 4.800 -1.160 32 HE2 PHE 5 HE2 PHE 5 5.091 6.382 -4.456 33 HZ PHE 5 HZ PHE 5 7.249 6.107 -3.265 34 H ARG 6 HN ARG 6 4.696 2.490 -3.017 35 HA ARG 6 HA ARG 6 5.019 -0.208 -1.850 36 HB2 ARG 6 HB2 ARG 6 4.902 0.327 -4.568 37 HB3 ARG 6 HB1 ARG 6 6.633 0.366 -4.247 38 HG2 ARG 6 HG2 ARG 6 6.619 -1.875 -3.377 39 HG3 ARG 6 HG1 ARG 6 4.852 -1.918 -3.341 40 HD2 ARG 6 HD2 ARG 6 6.523 -1.640 -5.851 41 HD3 ARG 6 HD1 ARG 6 5.790 -3.140 -5.292 42 HE ARG 6 HE ARG 6 4.451 -0.993 -6.645 43 HH11 ARG 6 HH11 ARG 6 2.210 -1.221 -6.936 44 HH12 ARG 6 HH12 ARG 6 1.333 -2.383 -5.998 45 HH21 ARG 6 HH21 ARG 6 4.128 -3.489 -4.270 46 HH22 ARG 6 HH22 ARG 6 2.419 -3.667 -4.488 47 H PHE 7 HN PHE 7 6.601 -0.277 -0.408 48 HA PHE 7 HA PHE 7 8.899 1.553 -0.731 49 HB2 PHE 7 HB2 PHE 7 6.998 1.392 1.442 50 HB3 PHE 7 HB1 PHE 7 8.612 1.015 2.036 51 HD1 PHE 7 HD1 PHE 7 10.467 2.655 0.623 52 HD2 PHE 7 HD2 PHE 7 6.435 3.625 1.785 53 HE1 PHE 7 HE1 PHE 7 11.028 5.067 0.581 54 HE2 PHE 7 HE2 PHE 7 7.006 6.034 1.733 55 HZ PHE 7 HZ PHE 7 9.299 6.755 1.132 56 HA DPR 8 HA DPR 8 11.839 -1.704 -0.612 57 HB2 DPR 8 HB2 DPR 8 11.808 -2.944 -2.577 58 HB3 DPR 8 HB1 DPR 8 10.047 -3.154 -2.532 59 HG2 DPR 8 HG2 DPR 8 11.653 -0.835 -3.443 60 HG3 DPR 8 HG1 DPR 8 10.108 -1.451 -4.048 61 HD2 DPR 8 HD2 DPR 8 10.442 0.733 -2.295 62 HD3 DPR 8 HD1 DPR 8 8.916 -0.109 -2.639 63 HA PRO 9 HA PRO 9 10.337 -5.218 1.733 64 HB2 PRO 9 HB2 PRO 9 10.964 -4.450 4.260 65 HB3 PRO 9 HB1 PRO 9 12.195 -4.927 3.073 66 HG2 PRO 9 HG2 PRO 9 11.347 -2.201 3.926 67 HG3 PRO 9 HG1 PRO 9 12.974 -2.829 3.606 68 HD2 PRO 9 HD2 PRO 9 11.573 -1.313 1.799 69 HD3 PRO 9 HD1 PRO 9 12.796 -2.516 1.329 70 H LYS 10 HN LYS 10 8.629 -2.528 1.408 71 HA LYS 10 HA LYS 10 6.485 -3.495 3.130 72 HB2 LYS 10 HB2 LYS 10 7.870 -1.751 4.403 73 HB3 LYS 10 HB1 LYS 10 7.279 -0.581 3.232 74 HG2 LYS 10 HG2 LYS 10 4.905 -1.401 3.899 75 HG3 LYS 10 HG1 LYS 10 5.702 -2.119 5.302 76 HD2 LYS 10 HD2 LYS 10 6.679 0.112 5.832 77 HD3 LYS 10 HD1 LYS 10 5.754 0.800 4.496 78 HE2 LYS 10 HE2 LYS 10 3.701 -0.308 5.668 79 HE3 LYS 10 HE1 LYS 10 4.749 -0.360 7.085 80 HZ1 LYS 10 HZ1 LYS 10 3.411 1.673 6.981 81 HZ2 LYS 10 HZ2 LYS 10 4.145 2.080 5.504 82 HZ3 LYS 10 HZ3 LYS 10 5.072 2.006 6.926 83 H ILE 11 HN ILE 11 4.418 -2.705 2.552 84 HA ILE 11 HA ILE 11 4.173 -1.067 0.150 85 HB ILE 11 HB ILE 11 2.960 -2.653 -1.137 86 HG12 ILE 11 HG12 ILE 11 2.912 -5.083 0.077 87 HG13 ILE 11 HG11 ILE 11 2.732 -4.038 1.482 88 HG21 ILE 11 HG21 ILE 11 5.448 -2.924 -1.112 89 HG22 ILE 11 HG22 ILE 11 4.582 -4.408 -1.502 90 HG23 ILE 11 HG23 ILE 11 5.257 -4.182 0.110 91 HD11 ILE 11 HD11 ILE 11 0.895 -4.429 -0.840 92 HD12 ILE 11 HD12 ILE 11 0.945 -2.832 -0.099 93 HD13 ILE 11 HD13 ILE 11 0.513 -4.239 0.869 94 H ILE 12 HN ILE 12 2.271 0.044 0.032 95 HA ILE 12 HA ILE 12 0.427 -0.300 2.320 96 HB ILE 12 HB ILE 12 0.815 2.171 0.621 97 HG12 ILE 12 HG12 ILE 12 2.910 1.748 1.759 98 HG13 ILE 12 HG11 ILE 12 2.074 3.038 2.621 99 HG21 ILE 12 HG21 ILE 12 -0.506 1.710 3.310 100 HG22 ILE 12 HG22 ILE 12 -1.343 2.008 1.786 101 HG23 ILE 12 HG23 ILE 12 -0.343 3.270 2.504 102 HD11 ILE 12 HD11 ILE 12 2.454 0.166 3.433 103 HD12 ILE 12 HD12 ILE 12 1.108 1.096 4.086 104 HD13 ILE 12 HD13 ILE 12 2.765 1.629 4.363 105 H ARG 13 HN ARG 13 -1.639 -0.812 1.939 106 HA ARG 13 HA ARG 13 -3.063 -0.052 -0.406 107 HB2 ARG 13 HB2 ARG 13 -3.076 -1.950 -1.695 108 HB3 ARG 13 HB1 ARG 13 -1.455 -2.091 -1.017 109 HG2 ARG 13 HG2 ARG 13 -2.556 -3.437 0.887 110 HG3 ARG 13 HG1 ARG 13 -3.966 -3.543 -0.170 111 HD2 ARG 13 HD2 ARG 13 -1.938 -4.214 -1.888 112 HD3 ARG 13 HD1 ARG 13 -1.361 -4.901 -0.373 113 HE ARG 13 HE ARG 13 -3.968 -5.712 -0.497 114 HH11 ARG 13 HH11 ARG 13 -4.620 -7.647 -1.490 115 HH12 ARG 13 HH12 ARG 13 -3.648 -8.341 -2.745 116 HH21 ARG 13 HH21 ARG 13 -1.245 -5.844 -2.629 117 HH22 ARG 13 HH22 ARG 13 -1.738 -7.320 -3.390 118 H ASN 14 HN ASN 14 -5.207 -1.373 -0.515 119 HA ASN 14 HA ASN 14 -6.070 -2.277 2.136 120 HB2 ASN 14 HB2 ASN 14 -7.268 0.046 0.626 121 HB3 ASN 14 HB1 ASN 14 -8.121 -0.805 1.913 122 HD21 ASN 14 HD21 ASN 14 -5.384 1.341 1.229 123 HD22 ASN 14 HD22 ASN 14 -5.070 1.737 2.850 124 H GLU 15 HN GLU 15 -6.029 -2.578 -1.160 125 HA GLU 15 HA GLU 15 -7.108 -3.953 -2.655 126 HB2 GLU 15 HB2 GLU 15 -6.639 -5.558 -0.698 127 HB3 GLU 15 HB1 GLU 15 -8.343 -5.353 -0.290 128 HG2 GLU 15 HG2 GLU 15 -8.483 -7.178 -1.709 129 HG3 GLU 15 HG1 GLU 15 -8.680 -5.865 -2.869 130 H ARG 16 HN ARG 16 -8.365 -1.802 -2.873 131 HA ARG 16 HA ARG 16 -11.152 -2.470 -3.088 132 HB2 ARG 16 HB2 ARG 16 -10.755 -1.705 -0.642 133 HB3 ARG 16 HB1 ARG 16 -10.580 -0.093 -1.338 134 HG2 ARG 16 HG2 ARG 16 -12.848 -0.030 -1.074 135 HG3 ARG 16 HG1 ARG 16 -12.838 -0.912 -2.601 136 HD2 ARG 16 HD2 ARG 16 -12.936 -2.137 0.169 137 HD3 ARG 16 HD1 ARG 16 -14.265 -2.070 -0.984 138 HE ARG 16 HE ARG 16 -11.974 -3.864 -1.076 139 HH11 ARG 16 HH11 ARG 16 -12.095 -5.472 -2.674 140 HH12 ARG 16 HH12 ARG 16 -13.295 -5.361 -3.919 141 HH21 ARG 16 HH21 ARG 16 -14.635 -2.392 -2.727 142 HH22 ARG 16 HH22 ARG 16 -14.733 -3.617 -3.949 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -4.611 8.221 2.860 2 HA2 GLY 1 HA2 GLY 1 -6.456 10.301 1.926 3 HA3 GLY 1 HA1 GLY 1 -4.708 10.289 1.714 4 H SER 2 HN SER 2 -4.739 7.470 0.800 5 HA SER 2 HA SER 2 -6.138 7.702 -1.778 6 HB2 SER 2 HB2 SER 2 -3.215 6.962 -1.531 7 HB3 SER 2 HB1 SER 2 -4.149 7.087 -3.019 8 HG SER 2 HG SER 2 -3.870 9.166 -2.971 9 H ARG 3 HN ARG 3 -4.133 5.340 -2.383 10 HA ARG 3 HA ARG 3 -5.383 3.254 -0.747 11 HB2 ARG 3 HB2 ARG 3 -5.417 3.075 -3.762 12 HB3 ARG 3 HB1 ARG 3 -6.209 2.007 -2.603 13 HG2 ARG 3 HG2 ARG 3 -7.583 3.974 -1.838 14 HG3 ARG 3 HG1 ARG 3 -6.888 4.906 -3.166 15 HD2 ARG 3 HD2 ARG 3 -8.409 2.306 -3.501 16 HD3 ARG 3 HD1 ARG 3 -9.100 3.907 -3.747 17 HE ARG 3 HE ARG 3 -6.708 3.365 -5.304 18 HH11 ARG 3 HH11 ARG 3 -7.021 3.341 -7.554 19 HH12 ARG 3 HH12 ARG 3 -8.628 3.281 -8.199 20 HH21 ARG 3 HH21 ARG 3 -10.160 3.244 -5.089 21 HH22 ARG 3 HH22 ARG 3 -10.405 3.227 -6.803 22 H GLY 4 HN GLY 4 -3.954 1.722 -0.222 23 HA2 GLY 4 HA2 GLY 4 -1.962 0.576 -0.090 24 HA3 GLY 4 HA1 GLY 4 -2.041 0.535 -1.852 25 H PHE 5 HN PHE 5 0.420 0.631 -0.812 26 HA PHE 5 HA PHE 5 1.528 3.003 -1.907 27 HB2 PHE 5 HB2 PHE 5 0.643 3.860 0.310 28 HB3 PHE 5 HB1 PHE 5 1.813 2.799 1.094 29 HD1 PHE 5 HD1 PHE 5 4.282 3.057 0.506 30 HD2 PHE 5 HD2 PHE 5 1.302 5.952 -0.586 31 HE1 PHE 5 HE1 PHE 5 6.058 4.751 0.151 32 HE2 PHE 5 HE2 PHE 5 3.079 7.646 -0.941 33 HZ PHE 5 HZ PHE 5 5.456 7.045 -0.573 34 H ARG 6 HN ARG 6 3.402 2.339 -2.729 35 HA ARG 6 HA ARG 6 4.629 -0.116 -1.817 36 HB2 ARG 6 HB2 ARG 6 4.488 1.012 -4.266 37 HB3 ARG 6 HB1 ARG 6 6.022 1.704 -3.740 38 HG2 ARG 6 HG2 ARG 6 6.954 -0.504 -3.333 39 HG3 ARG 6 HG1 ARG 6 5.396 -1.267 -3.667 40 HD2 ARG 6 HD2 ARG 6 7.041 -1.317 -5.592 41 HD3 ARG 6 HD1 ARG 6 5.472 -0.611 -5.971 42 HE ARG 6 HE ARG 6 7.481 1.309 -5.131 43 HH11 ARG 6 HH11 ARG 6 8.092 2.813 -6.718 44 HH12 ARG 6 HH12 ARG 6 7.655 2.544 -8.373 45 HH21 ARG 6 HH21 ARG 6 6.015 -0.443 -7.730 46 HH22 ARG 6 HH22 ARG 6 6.478 0.701 -8.946 47 H PHE 7 HN PHE 7 6.276 -0.321 -0.433 48 HA PHE 7 HA PHE 7 7.938 2.040 0.161 49 HB2 PHE 7 HB2 PHE 7 6.071 0.708 1.949 50 HB3 PHE 7 HB1 PHE 7 7.704 0.655 2.604 51 HD1 PHE 7 HD1 PHE 7 4.812 2.504 2.724 52 HD2 PHE 7 HD2 PHE 7 9.020 3.077 2.003 53 HE1 PHE 7 HE1 PHE 7 4.611 4.880 3.395 54 HE2 PHE 7 HE2 PHE 7 8.805 5.449 2.677 55 HZ PHE 7 HZ PHE 7 6.605 6.352 3.371 56 HA DPR 8 HA DPR 8 11.599 -0.278 -0.456 57 HB2 DPR 8 HB2 DPR 8 11.852 -0.935 -2.672 58 HB3 DPR 8 HB1 DPR 8 10.206 -1.591 -2.767 59 HG2 DPR 8 HG2 DPR 8 11.139 1.214 -2.977 60 HG3 DPR 8 HG1 DPR 8 9.790 0.405 -3.789 61 HD2 DPR 8 HD2 DPR 8 9.600 2.067 -1.511 62 HD3 DPR 8 HD1 DPR 8 8.327 0.999 -2.140 63 HA PRO 9 HA PRO 9 11.155 -4.536 0.858 64 HB2 PRO 9 HB2 PRO 9 11.534 -4.287 3.540 65 HB3 PRO 9 HB1 PRO 9 12.852 -4.112 2.364 66 HG2 PRO 9 HG2 PRO 9 11.291 -2.009 3.782 67 HG3 PRO 9 HG1 PRO 9 13.026 -2.082 3.427 68 HD2 PRO 9 HD2 PRO 9 11.260 -0.589 1.952 69 HD3 PRO 9 HD1 PRO 9 12.762 -1.273 1.284 70 H LYS 10 HN LYS 10 8.774 -2.397 1.122 71 HA LYS 10 HA LYS 10 6.900 -4.327 2.151 72 HB2 LYS 10 HB2 LYS 10 7.879 -3.139 4.203 73 HB3 LYS 10 HB1 LYS 10 7.086 -1.686 3.613 74 HG2 LYS 10 HG2 LYS 10 4.916 -3.131 3.592 75 HG3 LYS 10 HG1 LYS 10 5.822 -4.232 4.634 76 HD2 LYS 10 HD2 LYS 10 5.197 -1.315 5.146 77 HD3 LYS 10 HD1 LYS 10 4.625 -2.711 6.062 78 HE2 LYS 10 HE2 LYS 10 7.114 -3.223 6.492 79 HE3 LYS 10 HE1 LYS 10 7.421 -1.579 5.934 80 HZ1 LYS 10 HZ1 LYS 10 5.301 -1.466 7.730 81 HZ2 LYS 10 HZ2 LYS 10 6.874 -0.859 7.936 82 HZ3 LYS 10 HZ3 LYS 10 6.494 -2.434 8.448 83 H ILE 11 HN ILE 11 4.715 -3.727 1.777 84 HA ILE 11 HA ILE 11 4.201 -1.252 0.314 85 HB ILE 11 HB ILE 11 3.346 -2.271 -1.646 86 HG12 ILE 11 HG12 ILE 11 3.722 -4.970 -1.600 87 HG13 ILE 11 HG11 ILE 11 3.281 -4.684 0.081 88 HG21 ILE 11 HG21 ILE 11 5.838 -2.141 -1.483 89 HG22 ILE 11 HG22 ILE 11 5.273 -3.419 -2.558 90 HG23 ILE 11 HG23 ILE 11 5.852 -3.820 -0.944 91 HD11 ILE 11 HD11 ILE 11 1.361 -3.212 -0.997 92 HD12 ILE 11 HD12 ILE 11 1.181 -4.961 -0.882 93 HD13 ILE 11 HD13 ILE 11 1.671 -4.225 -2.406 94 H ILE 12 HN ILE 12 2.078 -0.580 0.403 95 HA ILE 12 HA ILE 12 0.377 -2.094 2.276 96 HB ILE 12 HB ILE 12 0.062 0.788 1.414 97 HG12 ILE 12 HG12 ILE 12 2.239 0.622 2.447 98 HG13 ILE 12 HG11 ILE 12 1.135 1.304 3.640 99 HG21 ILE 12 HG21 ILE 12 -1.148 0.868 3.645 100 HG22 ILE 12 HG22 ILE 12 -1.057 -0.892 3.667 101 HG23 ILE 12 HG23 ILE 12 -1.946 -0.070 2.386 102 HD11 ILE 12 HD11 ILE 12 2.279 -0.344 4.864 103 HD12 ILE 12 HD12 ILE 12 2.289 -1.475 3.514 104 HD13 ILE 12 HD13 ILE 12 0.794 -1.170 4.395 105 H ARG 13 HN ARG 13 -1.978 -2.043 1.847 106 HA ARG 13 HA ARG 13 -2.496 -2.315 -1.041 107 HB2 ARG 13 HB2 ARG 13 -2.884 -4.171 0.877 108 HB3 ARG 13 HB1 ARG 13 -4.450 -3.361 0.911 109 HG2 ARG 13 HG2 ARG 13 -4.770 -5.007 -0.729 110 HG3 ARG 13 HG1 ARG 13 -4.355 -3.586 -1.688 111 HD2 ARG 13 HD2 ARG 13 -1.874 -4.569 -1.199 112 HD3 ARG 13 HD1 ARG 13 -2.802 -6.066 -1.211 113 HE ARG 13 HE ARG 13 -3.675 -4.850 -3.457 114 HH11 ARG 13 HH11 ARG 13 -2.650 -4.969 -5.481 115 HH12 ARG 13 HH12 ARG 13 -0.943 -5.245 -5.566 116 HH21 ARG 13 HH21 ARG 13 -0.527 -5.392 -2.127 117 HH22 ARG 13 HH22 ARG 13 0.259 -5.485 -3.667 118 H ASN 14 HN ASN 14 -3.512 -0.748 1.867 119 HA ASN 14 HA ASN 14 -5.452 0.852 0.311 120 HB2 ASN 14 HB2 ASN 14 -7.018 0.805 2.043 121 HB3 ASN 14 HB1 ASN 14 -6.401 -0.847 2.035 122 HD21 ASN 14 HD21 ASN 14 -6.187 2.271 3.759 123 HD22 ASN 14 HD22 ASN 14 -5.529 1.621 5.181 124 H GLU 15 HN GLU 15 -6.101 2.707 2.212 125 HA GLU 15 HA GLU 15 -3.933 3.811 3.643 126 HB2 GLU 15 HB2 GLU 15 -3.756 4.206 0.841 127 HB3 GLU 15 HB1 GLU 15 -4.214 5.752 1.555 128 HG2 GLU 15 HG2 GLU 15 -1.902 4.026 2.488 129 HG3 GLU 15 HG1 GLU 15 -1.747 5.460 1.473 130 H ARG 16 HN ARG 16 -4.371 6.343 3.889 131 HA ARG 16 HA ARG 16 -7.233 6.552 4.541 132 HB2 ARG 16 HB2 ARG 16 -5.697 6.890 6.408 133 HB3 ARG 16 HB1 ARG 16 -4.856 8.156 5.512 134 HG2 ARG 16 HG2 ARG 16 -6.575 9.677 5.770 135 HG3 ARG 16 HG1 ARG 16 -7.813 8.422 5.860 136 HD2 ARG 16 HD2 ARG 16 -7.063 7.808 8.108 137 HD3 ARG 16 HD1 ARG 16 -5.765 8.995 8.021 138 HE ARG 16 HE ARG 16 -8.220 10.305 7.559 139 HH11 ARG 16 HH11 ARG 16 -9.161 11.486 9.257 140 HH12 ARG 16 HH12 ARG 16 -8.700 11.157 10.893 141 HH21 ARG 16 HH21 ARG 16 -6.452 8.659 10.037 142 HH22 ARG 16 HH22 ARG 16 -7.166 9.557 11.335
Contact the webmaster for help, if required. Monday, July 1, 2024 4:14:17 AM GMT (wattos1)