NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599104 | 2nay | 25954 | 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 1HT GLY 1 -8.597 -0.609 -5.051 2 H2 GLY 1 2HT GLY 1 -8.074 -0.521 -3.447 3 H3 GLY 1 3HT GLY 1 -7.853 -1.946 -4.332 4 HA2 GLY 1 1HA GLY 1 -6.324 -0.833 -5.821 5 HA3 GLY 1 2HA GLY 1 -6.565 0.658 -4.920 6 H CYS 2 H CYS 2 -5.282 1.054 -3.193 7 HA CYS 2 HA CYS 2 -3.566 -1.176 -2.309 8 HB2 CYS 2 2HB CYS 2 -2.915 1.765 -2.508 9 HB3 CYS 2 1HB CYS 2 -1.876 0.570 -1.735 10 H CYS 3 H CYS 3 -6.212 -0.019 -1.263 11 HA CYS 3 HA CYS 3 -5.569 1.146 1.257 12 HB2 CYS 3 2HB CYS 3 -7.818 1.044 -0.283 13 HB3 CYS 3 1HB CYS 3 -8.207 -0.127 0.967 14 H SER 4 H SER 4 -6.159 -2.140 0.125 15 HA SER 4 HA SER 4 -6.226 -3.155 2.838 16 HB2 SER 4 2HB SER 4 -7.616 -4.198 1.049 17 HB3 SER 4 1HB SER 4 -6.139 -4.716 0.243 18 HG SER 4 HG SER 4 -6.049 -5.471 2.812 19 H ASN 5 H ASN 5 -4.352 -4.812 0.358 20 HA ASN 5 HA ASN 5 -1.862 -3.751 1.174 21 HB2 ASN 5 2HB ASN 5 -1.927 -5.013 3.141 22 HB3 ASN 5 1HB ASN 5 -2.652 -6.405 2.337 23 HD21 ASN 5 2HD2 ASN 5 1.392 -5.801 2.174 24 HD22 ASN 5 1HD2 ASN 5 0.319 -4.538 2.660 25 HA PRO 6 HA PRO 6 -0.652 -5.840 -2.519 26 HB2 PRO 6 2HB PRO 6 -0.470 -3.686 -4.142 27 HB3 PRO 6 1HB PRO 6 -1.975 -4.586 -3.960 28 HG2 PRO 6 2HG PRO 6 -1.309 -1.904 -3.030 29 HG3 PRO 6 1HG PRO 6 -2.890 -2.686 -3.171 30 HD2 PRO 6 2HD PRO 6 -1.188 -2.383 -0.812 31 HD3 PRO 6 1HD PRO 6 -2.885 -2.888 -0.909 32 H ALA 7 H ALA 7 1.294 -4.170 -3.922 33 HA ALA 7 HA ALA 7 3.400 -4.292 -2.004 34 HB1 ALA 7 1HB ALA 7 3.766 -4.821 -4.346 35 HB2 ALA 7 2HB ALA 7 4.839 -3.533 -3.800 36 HB3 ALA 7 3HB ALA 7 3.427 -3.147 -4.785 37 H CYS 8 H CYS 8 1.162 -1.832 -2.831 38 HA CYS 8 HA CYS 8 2.593 0.522 -2.466 39 HB2 CYS 8 2HB CYS 8 -0.239 -0.256 -1.802 40 HB3 CYS 8 1HB CYS 8 0.360 1.367 -1.512 41 H ILE 9 H ILE 9 1.145 -1.577 0.019 42 HA ILE 9 HA ILE 9 1.425 0.164 2.195 43 HB ILE 9 HB ILE 9 1.791 -2.774 2.609 44 HG12 ILE 9 2HG1 ILE 9 0.122 -2.671 0.864 45 HG13 ILE 9 1HG1 ILE 9 -0.631 -3.112 2.393 46 HG21 ILE 9 1HG2 ILE 9 0.170 -0.671 4.029 47 HG22 ILE 9 2HG2 ILE 9 1.731 -1.312 4.541 48 HG23 ILE 9 3HG2 ILE 9 0.314 -2.361 4.514 49 HD11 ILE 9 3HD1 ILE 9 -0.681 -0.388 1.124 50 HD12 ILE 9 1HD1 ILE 9 -1.432 -0.829 2.656 51 HD13 ILE 9 2HD1 ILE 9 -2.007 -1.552 1.154 52 H LEU 10 H LEU 10 3.660 -2.168 0.820 53 HA LEU 10 HA LEU 10 5.566 -2.336 2.818 54 HB2 LEU 10 2HB LEU 10 5.514 -3.728 0.786 55 HB3 LEU 10 1HB LEU 10 6.039 -2.353 -0.163 56 HG LEU 10 HG LEU 10 8.172 -2.321 1.084 57 HD11 LEU 10 1HD1 LEU 10 8.753 -4.235 2.504 58 HD12 LEU 10 2HD1 LEU 10 7.097 -4.826 2.371 59 HD13 LEU 10 3HD1 LEU 10 7.424 -3.293 3.176 60 HD21 LEU 10 3HD2 LEU 10 7.509 -4.999 -0.132 61 HD22 LEU 10 1HD2 LEU 10 9.121 -4.311 0.066 62 HD23 LEU 10 2HD2 LEU 10 7.965 -3.552 -1.029 63 H ASN 11 H ASN 11 5.280 0.102 0.268 64 HA ASN 11 HA ASN 11 7.519 1.595 1.428 65 HB2 ASN 11 2HB ASN 11 5.870 2.025 -1.075 66 HB3 ASN 11 1HB ASN 11 7.126 3.135 -0.530 67 HD21 ASN 11 2HD2 ASN 11 8.345 0.567 -3.029 68 HD22 ASN 11 1HD2 ASN 11 6.905 1.526 -2.971 69 H ASN 12 H ASN 12 4.143 1.469 1.282 70 HA ASN 12 HA ASN 12 2.405 2.698 1.985 71 HB2 ASN 12 2HB ASN 12 3.734 2.257 4.137 72 HB3 ASN 12 1HB ASN 12 4.218 3.946 4.033 73 HD21 ASN 12 2HD2 ASN 12 1.043 3.340 6.043 74 HD22 ASN 12 1HD2 ASN 12 2.509 2.430 5.957 75 HA PRO 13 HA PRO 13 3.579 6.738 0.045 76 HB2 PRO 13 2HB PRO 13 2.747 5.855 -2.548 77 HB3 PRO 13 1HB PRO 13 4.376 6.294 -2.037 78 HG2 PRO 13 2HG PRO 13 3.600 3.734 -2.762 79 HG3 PRO 13 1HG PRO 13 4.997 4.118 -1.735 80 HD2 PRO 13 2HD PRO 13 2.238 3.265 -0.950 81 HD3 PRO 13 1HD PRO 13 3.808 2.749 -0.293 82 H ASN 14 H ASN 14 1.169 4.755 -1.622 83 HA ASN 14 HA ASN 14 -0.864 6.777 -1.259 84 HB2 ASN 14 2HB ASN 14 -0.648 5.639 -3.412 85 HB3 ASN 14 1HB ASN 14 -0.918 4.084 -2.632 86 HD21 ASN 14 2HD2 ASN 14 -4.209 4.402 -3.626 87 HD22 ASN 14 1HD2 ASN 14 -2.691 3.582 -3.810 88 H GLN 15 H GLN 15 -0.848 3.240 -0.713 89 HA GLN 15 HA GLN 15 -1.871 1.925 0.786 90 HB2 GLN 15 2HB GLN 15 -0.433 3.690 2.227 91 HB3 GLN 15 1HB GLN 15 -2.037 4.029 2.870 92 HG2 GLN 15 2HG GLN 15 -0.769 1.301 2.761 93 HG3 GLN 15 1HG GLN 15 -0.742 2.361 4.165 94 HE21 GLN 15 2HE2 GLN 15 -4.118 0.335 3.136 95 HE22 GLN 15 1HE2 GLN 15 -2.817 0.554 2.005 96 H CYS 16 H CYS 16 -3.508 3.503 -1.007 97 HA CYS 16 HA CYS 16 -5.855 2.273 -0.357 98 HB2 CYS 16 2HB CYS 16 -5.892 4.089 1.464 99 HB3 CYS 16 1HB CYS 16 -6.280 5.210 0.162 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -6.155 1.405 -7.081 2 H2 GLY 1 2HT GLY 1 -4.585 0.817 -6.875 3 H3 GLY 1 3HT GLY 1 -5.216 1.942 -5.784 4 HA2 GLY 1 1HA GLY 1 -6.839 0.364 -5.005 5 HA3 GLY 1 2HA GLY 1 -6.260 -0.804 -6.182 6 H CYS 2 H CYS 2 -5.144 1.183 -3.451 7 HA CYS 2 HA CYS 2 -3.417 -1.069 -2.677 8 HB2 CYS 2 2HB CYS 2 -2.730 1.866 -2.690 9 HB3 CYS 2 1HB CYS 2 -1.801 0.665 -1.798 10 H CYS 3 H CYS 3 -6.097 -0.286 -1.808 11 HA CYS 3 HA CYS 3 -5.650 0.614 0.933 12 HB2 CYS 3 2HB CYS 3 -8.262 -0.051 -0.436 13 HB3 CYS 3 1HB CYS 3 -8.057 0.808 1.085 14 H SER 4 H SER 4 -6.076 -2.266 -0.866 15 HA SER 4 HA SER 4 -6.811 -3.756 1.559 16 HB2 SER 4 2HB SER 4 -7.091 -4.592 -1.336 17 HB3 SER 4 1HB SER 4 -7.649 -5.503 0.068 18 HG SER 4 HG SER 4 -9.257 -4.111 0.369 19 H ASN 5 H ASN 5 -4.104 -2.860 0.717 20 HA ASN 5 HA ASN 5 -1.973 -3.593 0.827 21 HB2 ASN 5 2HB ASN 5 -2.517 -4.705 2.846 22 HB3 ASN 5 1HB ASN 5 -3.359 -5.998 1.999 23 HD21 ASN 5 2HD2 ASN 5 0.683 -6.103 2.460 24 HD22 ASN 5 1HD2 ASN 5 -0.229 -4.683 2.830 25 HA PRO 6 HA PRO 6 -1.371 -6.106 -2.838 26 HB2 PRO 6 2HB PRO 6 -0.503 -4.117 -4.487 27 HB3 PRO 6 1HB PRO 6 -2.187 -4.626 -4.378 28 HG2 PRO 6 2HG PRO 6 -0.974 -2.140 -3.490 29 HG3 PRO 6 1HG PRO 6 -2.685 -2.558 -3.639 30 HD2 PRO 6 2HD PRO 6 -0.996 -2.528 -1.256 31 HD3 PRO 6 1HD PRO 6 -2.762 -2.656 -1.378 32 H ALA 7 H ALA 7 0.746 -3.364 -3.281 33 HA ALA 7 HA ALA 7 2.819 -4.555 -1.583 34 HB1 ALA 7 1HB ALA 7 3.245 -5.316 -3.873 35 HB2 ALA 7 2HB ALA 7 4.513 -4.238 -3.293 36 HB3 ALA 7 3HB ALA 7 3.291 -3.639 -4.416 37 H CYS 8 H CYS 8 1.056 -1.907 -2.567 38 HA CYS 8 HA CYS 8 2.746 0.261 -2.350 39 HB2 CYS 8 2HB CYS 8 -0.142 -0.171 -1.751 40 HB3 CYS 8 1HB CYS 8 0.604 1.359 -1.317 41 H ILE 9 H ILE 9 1.251 -1.631 0.191 42 HA ILE 9 HA ILE 9 1.554 0.155 2.320 43 HB ILE 9 HB ILE 9 1.830 -2.770 2.836 44 HG12 ILE 9 2HG1 ILE 9 0.256 -2.725 0.997 45 HG13 ILE 9 1HG1 ILE 9 -0.603 -3.074 2.495 46 HG21 ILE 9 1HG2 ILE 9 0.265 -2.259 4.646 47 HG22 ILE 9 2HG2 ILE 9 0.159 -0.592 4.080 48 HG23 ILE 9 3HG2 ILE 9 1.687 -1.217 4.702 49 HD11 ILE 9 3HD1 ILE 9 -1.370 -0.761 2.595 50 HD12 ILE 9 1HD1 ILE 9 -1.858 -1.542 1.090 51 HD13 ILE 9 2HD1 ILE 9 -0.506 -0.410 1.098 52 H LEU 10 H LEU 10 3.778 -2.068 0.844 53 HA LEU 10 HA LEU 10 5.782 -2.152 2.791 54 HB2 LEU 10 2HB LEU 10 5.648 -3.559 0.740 55 HB3 LEU 10 1HB LEU 10 6.132 -2.174 -0.212 56 HG LEU 10 HG LEU 10 7.898 -3.229 1.984 57 HD11 LEU 10 1HD1 LEU 10 7.384 -5.116 0.540 58 HD12 LEU 10 2HD1 LEU 10 9.048 -4.583 0.307 59 HD13 LEU 10 3HD1 LEU 10 7.813 -4.160 -0.879 60 HD21 LEU 10 3HD2 LEU 10 9.670 -2.254 0.605 61 HD22 LEU 10 1HD2 LEU 10 8.466 -1.045 1.054 62 HD23 LEU 10 2HD2 LEU 10 8.465 -1.729 -0.571 63 H ASN 11 H ASN 11 5.194 0.228 0.220 64 HA ASN 11 HA ASN 11 7.513 1.775 1.142 65 HB2 ASN 11 2HB ASN 11 5.813 2.095 -1.339 66 HB3 ASN 11 1HB ASN 11 7.211 3.084 -0.938 67 HD21 ASN 11 2HD2 ASN 11 7.653 -0.610 -2.531 68 HD22 ASN 11 1HD2 ASN 11 6.106 0.011 -2.069 69 H ASN 12 H ASN 12 4.156 1.679 1.268 70 HA ASN 12 HA ASN 12 2.536 2.933 2.189 71 HB2 ASN 12 2HB ASN 12 4.826 4.383 3.530 72 HB3 ASN 12 1HB ASN 12 3.134 4.497 3.997 73 HD21 ASN 12 2HD2 ASN 12 3.081 1.469 5.738 74 HD22 ASN 12 1HD2 ASN 12 2.154 2.748 5.033 75 HA PRO 13 HA PRO 13 3.153 6.710 -0.501 76 HB2 PRO 13 2HB PRO 13 2.265 5.565 -2.926 77 HB3 PRO 13 1HB PRO 13 3.907 6.070 -2.535 78 HG2 PRO 13 2HG PRO 13 3.036 3.436 -2.963 79 HG3 PRO 13 1HG PRO 13 4.587 3.932 -2.265 80 HD2 PRO 13 2HD PRO 13 2.116 2.981 -0.908 81 HD3 PRO 13 1HD PRO 13 3.816 2.781 -0.442 82 H ASN 14 H ASN 14 0.793 4.189 -1.362 83 HA ASN 14 HA ASN 14 -1.366 6.089 -0.741 84 HB2 ASN 14 2HB ASN 14 -1.168 5.409 -3.172 85 HB3 ASN 14 1HB ASN 14 -1.544 3.766 -2.673 86 HD21 ASN 14 2HD2 ASN 14 -4.969 4.341 -2.240 87 HD22 ASN 14 1HD2 ASN 14 -3.630 3.289 -1.937 88 H GLN 15 H GLN 15 -0.728 5.069 1.440 89 HA GLN 15 HA GLN 15 -1.999 2.521 1.872 90 HB2 GLN 15 2HB GLN 15 0.183 3.753 3.033 91 HB3 GLN 15 1HB GLN 15 -1.079 3.972 4.242 92 HG2 GLN 15 2HG GLN 15 -0.171 1.372 3.038 93 HG3 GLN 15 1HG GLN 15 0.143 1.946 4.675 94 HE21 GLN 15 2HE2 GLN 15 -3.516 0.483 3.631 95 HE22 GLN 15 1HE2 GLN 15 -2.402 1.084 2.441 96 H CYS 16 H CYS 16 -4.150 2.785 1.705 97 HA CYS 16 HA CYS 16 -5.587 5.033 2.669 98 HB2 CYS 16 2HB CYS 16 -6.772 2.310 2.168 99 HB3 CYS 16 1HB CYS 16 -7.523 3.887 1.945 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -6.631 1.046 -7.062 2 H2 GLY 1 2HT GLY 1 -4.989 1.356 -6.800 3 H3 GLY 1 3HT GLY 1 -6.158 2.239 -5.958 4 HA2 GLY 1 1HA GLY 1 -6.890 0.215 -4.836 5 HA3 GLY 1 2HA GLY 1 -5.619 -0.666 -5.679 6 H CYS 2 H CYS 2 -4.396 -1.258 -3.996 7 HA CYS 2 HA CYS 2 -2.782 -1.132 -2.425 8 HB2 CYS 2 2HB CYS 2 -2.577 1.695 -3.434 9 HB3 CYS 2 1HB CYS 2 -1.408 0.939 -2.357 10 H CYS 3 H CYS 3 -5.563 -0.531 -1.759 11 HA CYS 3 HA CYS 3 -5.301 1.328 0.468 12 HB2 CYS 3 2HB CYS 3 -7.702 -0.168 -0.605 13 HB3 CYS 3 1HB CYS 3 -7.744 0.972 0.734 14 H SER 4 H SER 4 -5.817 -2.114 -0.154 15 HA SER 4 HA SER 4 -5.868 -2.614 2.718 16 HB2 SER 4 2HB SER 4 -7.533 -3.764 1.272 17 HB3 SER 4 1HB SER 4 -6.212 -4.590 0.450 18 HG SER 4 HG SER 4 -7.040 -4.839 3.147 19 H ASN 5 H ASN 5 -4.338 -4.604 0.179 20 HA ASN 5 HA ASN 5 -1.689 -3.937 0.898 21 HB2 ASN 5 2HB ASN 5 -2.115 -5.106 2.962 22 HB3 ASN 5 1HB ASN 5 -2.769 -6.493 2.097 23 HD21 ASN 5 2HD2 ASN 5 1.254 -5.964 2.445 24 HD22 ASN 5 1HD2 ASN 5 0.143 -4.696 2.836 25 HA PRO 6 HA PRO 6 -1.483 -6.379 -2.892 26 HB2 PRO 6 2HB PRO 6 -0.814 -4.253 -4.524 27 HB3 PRO 6 1HB PRO 6 -2.449 -4.862 -4.292 28 HG2 PRO 6 2HG PRO 6 -1.350 -2.346 -3.456 29 HG3 PRO 6 1HG PRO 6 -3.008 -2.934 -3.280 30 HD2 PRO 6 2HD PRO 6 -0.816 -2.884 -1.305 31 HD3 PRO 6 1HD PRO 6 -2.570 -2.982 -1.041 32 H ALA 7 H ALA 7 0.581 -3.544 -3.270 33 HA ALA 7 HA ALA 7 2.817 -4.850 -1.932 34 HB1 ALA 7 1HB ALA 7 2.972 -5.599 -4.264 35 HB2 ALA 7 2HB ALA 7 4.332 -4.578 -3.800 36 HB3 ALA 7 3HB ALA 7 3.031 -3.917 -4.790 37 H CYS 8 H CYS 8 1.106 -2.087 -2.882 38 HA CYS 8 HA CYS 8 2.998 -0.062 -2.755 39 HB2 CYS 8 2HB CYS 8 0.071 -0.167 -2.136 40 HB3 CYS 8 1HB CYS 8 0.979 1.325 -1.970 41 H ILE 9 H ILE 9 1.166 -1.581 -0.153 42 HA ILE 9 HA ILE 9 1.557 0.255 1.893 43 HB ILE 9 HB ILE 9 1.654 -2.674 2.516 44 HG12 ILE 9 2HG1 ILE 9 0.042 -2.484 0.707 45 HG13 ILE 9 1HG1 ILE 9 -0.779 -2.819 2.230 46 HG21 ILE 9 1HG2 ILE 9 1.701 -1.079 4.354 47 HG22 ILE 9 2HG2 ILE 9 0.203 -2.011 4.368 48 HG23 ILE 9 3HG2 ILE 9 0.203 -0.350 3.773 49 HD11 ILE 9 3HD1 ILE 9 -0.576 -0.130 0.892 50 HD12 ILE 9 1HD1 ILE 9 -1.409 -0.470 2.410 51 HD13 ILE 9 2HD1 ILE 9 -1.994 -1.181 0.906 52 H LEU 10 H LEU 10 3.671 -2.223 0.669 53 HA LEU 10 HA LEU 10 5.604 -2.341 2.660 54 HB2 LEU 10 2HB LEU 10 5.562 -3.818 0.715 55 HB3 LEU 10 1HB LEU 10 5.982 -2.477 -0.331 56 HG LEU 10 HG LEU 10 8.170 -2.294 0.790 57 HD11 LEU 10 1HD1 LEU 10 7.570 -3.155 2.979 58 HD12 LEU 10 2HD1 LEU 10 8.904 -4.085 2.296 59 HD13 LEU 10 3HD1 LEU 10 7.271 -4.751 2.289 60 HD21 LEU 10 3HD2 LEU 10 9.128 -4.359 -0.122 61 HD22 LEU 10 1HD2 LEU 10 7.963 -3.632 -1.226 62 HD23 LEU 10 2HD2 LEU 10 7.509 -5.040 -0.266 63 H ASN 11 H ASN 11 5.093 0.127 0.208 64 HA ASN 11 HA ASN 11 7.481 1.556 1.177 65 HB2 ASN 11 2HB ASN 11 5.943 1.953 -1.401 66 HB3 ASN 11 1HB ASN 11 7.377 2.851 -0.917 67 HD21 ASN 11 2HD2 ASN 11 7.669 -0.840 -2.540 68 HD22 ASN 11 1HD2 ASN 11 6.144 -0.125 -2.157 69 H ASN 12 H ASN 12 4.122 1.536 1.192 70 HA ASN 12 HA ASN 12 2.492 2.885 1.984 71 HB2 ASN 12 2HB ASN 12 4.801 4.157 3.464 72 HB3 ASN 12 1HB ASN 12 3.105 4.491 3.789 73 HD21 ASN 12 2HD2 ASN 12 2.528 1.530 5.559 74 HD22 ASN 12 1HD2 ASN 12 1.819 2.871 4.728 75 HA PRO 13 HA PRO 13 3.521 6.405 -0.906 76 HB2 PRO 13 2HB PRO 13 1.700 5.287 -2.848 77 HB3 PRO 13 1HB PRO 13 3.434 5.564 -3.010 78 HG2 PRO 13 2HG PRO 13 2.293 3.080 -2.918 79 HG3 PRO 13 1HG PRO 13 3.959 3.424 -2.418 80 HD2 PRO 13 2HD PRO 13 1.505 3.093 -0.731 81 HD3 PRO 13 1HD PRO 13 3.152 2.486 -0.454 82 H ASN 14 H ASN 14 0.365 4.829 -1.321 83 HA ASN 14 HA ASN 14 -0.933 7.288 -0.430 84 HB2 ASN 14 2HB ASN 14 -3.011 6.305 -1.364 85 HB3 ASN 14 1HB ASN 14 -1.737 6.454 -2.563 86 HD21 ASN 14 2HD2 ASN 14 -3.533 3.109 -2.608 87 HD22 ASN 14 1HD2 ASN 14 -4.132 4.717 -2.396 88 H GLN 15 H GLN 15 -1.473 3.787 -0.023 89 HA GLN 15 HA GLN 15 -2.388 2.567 1.637 90 HB2 GLN 15 2HB GLN 15 -0.165 3.700 2.657 91 HB3 GLN 15 1HB GLN 15 -1.362 4.347 3.774 92 HG2 GLN 15 2HG GLN 15 -0.712 1.467 3.220 93 HG3 GLN 15 1HG GLN 15 -0.508 2.357 4.727 94 HE21 GLN 15 2HE2 GLN 15 -4.091 0.739 3.700 95 HE22 GLN 15 1HE2 GLN 15 -2.780 0.837 2.577 96 H CYS 16 H CYS 16 -4.505 3.071 1.145 97 HA CYS 16 HA CYS 16 -5.910 5.349 1.957 98 HB2 CYS 16 2HB CYS 16 -7.085 2.605 1.517 99 HB3 CYS 16 1HB CYS 16 -7.878 4.156 1.286 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -5.029 0.684 -6.488 2 H2 GLY 1 2HT GLY 1 -6.063 1.474 -5.408 3 H3 GLY 1 3HT GLY 1 -6.684 0.783 -6.818 4 HA2 GLY 1 1HA GLY 1 -7.196 -0.609 -4.926 5 HA3 GLY 1 2HA GLY 1 -6.112 -1.424 -6.043 6 H CYS 2 H CYS 2 -4.533 1.045 -4.367 7 HA CYS 2 HA CYS 2 -3.017 -0.958 -2.924 8 HB2 CYS 2 2HB CYS 2 -2.591 1.993 -3.387 9 HB3 CYS 2 1HB CYS 2 -1.518 1.002 -2.406 10 H CYS 3 H CYS 3 -5.362 -1.022 -1.782 11 HA CYS 3 HA CYS 3 -5.094 0.557 0.682 12 HB2 CYS 3 2HB CYS 3 -7.502 -1.048 -0.187 13 HB3 CYS 3 1HB CYS 3 -7.419 0.142 1.103 14 H SER 4 H SER 4 -6.266 -2.686 -0.244 15 HA SER 4 HA SER 4 -5.645 -3.684 2.392 16 HB2 SER 4 2HB SER 4 -6.811 -5.129 0.004 17 HB3 SER 4 1HB SER 4 -6.801 -5.702 1.673 18 HG SER 4 HG SER 4 -7.856 -3.335 1.801 19 H ASN 5 H ASN 5 -3.328 -2.994 1.389 20 HA ASN 5 HA ASN 5 -1.201 -3.656 1.008 21 HB2 ASN 5 2HB ASN 5 -1.784 -4.787 3.166 22 HB3 ASN 5 1HB ASN 5 -2.089 -6.258 2.244 23 HD21 ASN 5 2HD2 ASN 5 1.269 -7.094 1.880 24 HD22 ASN 5 1HD2 ASN 5 -0.376 -7.435 1.466 25 HA PRO 6 HA PRO 6 -1.483 -6.299 -2.686 26 HB2 PRO 6 2HB PRO 6 -0.958 -4.176 -4.451 27 HB3 PRO 6 1HB PRO 6 -2.499 -4.993 -4.229 28 HG2 PRO 6 2HG PRO 6 -1.857 -2.325 -3.550 29 HG3 PRO 6 1HG PRO 6 -3.359 -3.191 -3.196 30 HD2 PRO 6 2HD PRO 6 -1.069 -2.592 -1.435 31 HD3 PRO 6 1HD PRO 6 -2.756 -2.941 -1.015 32 H ALA 7 H ALA 7 0.442 -3.331 -3.037 33 HA ALA 7 HA ALA 7 2.821 -4.655 -2.045 34 HB1 ALA 7 1HB ALA 7 4.163 -4.222 -4.007 35 HB2 ALA 7 2HB ALA 7 2.779 -3.508 -4.830 36 HB3 ALA 7 3HB ALA 7 2.782 -5.228 -4.442 37 H CYS 8 H CYS 8 1.115 -1.829 -3.093 38 HA CYS 8 HA CYS 8 2.927 0.207 -2.828 39 HB2 CYS 8 2HB CYS 8 -0.003 0.032 -2.253 40 HB3 CYS 8 1HB CYS 8 0.869 1.539 -2.037 41 H ILE 9 H ILE 9 1.094 -1.331 -0.208 42 HA ILE 9 HA ILE 9 1.487 0.602 1.767 43 HB ILE 9 HB ILE 9 1.429 -2.325 2.431 44 HG12 ILE 9 2HG1 ILE 9 -0.198 -2.016 0.681 45 HG13 ILE 9 1HG1 ILE 9 -1.028 -2.236 2.222 46 HG21 ILE 9 1HG2 ILE 9 1.649 -0.751 4.280 47 HG22 ILE 9 2HG2 ILE 9 0.086 -1.568 4.328 48 HG23 ILE 9 3HG2 ILE 9 0.196 0.092 3.745 49 HD11 ILE 9 3HD1 ILE 9 -0.596 0.366 0.777 50 HD12 ILE 9 1HD1 ILE 9 -1.365 0.191 2.352 51 HD13 ILE 9 2HD1 ILE 9 -2.114 -0.521 0.923 52 H LEU 10 H LEU 10 3.490 -2.067 0.754 53 HA LEU 10 HA LEU 10 5.359 -2.046 2.835 54 HB2 LEU 10 2HB LEU 10 5.158 -3.758 1.023 55 HB3 LEU 10 1HB LEU 10 5.947 -2.631 -0.063 56 HG LEU 10 HG LEU 10 7.966 -2.686 1.337 57 HD11 LEU 10 1HD1 LEU 10 8.147 -4.377 3.120 58 HD12 LEU 10 2HD1 LEU 10 6.421 -4.700 2.960 59 HD13 LEU 10 3HD1 LEU 10 6.977 -3.115 3.495 60 HD21 LEU 10 3HD2 LEU 10 8.655 -4.965 0.808 61 HD22 LEU 10 1HD2 LEU 10 7.745 -4.251 -0.522 62 HD23 LEU 10 2HD2 LEU 10 6.972 -5.421 0.547 63 H ASN 11 H ASN 11 4.962 0.158 0.176 64 HA ASN 11 HA ASN 11 7.516 1.471 0.790 65 HB2 ASN 11 2HB ASN 11 5.560 1.894 -1.479 66 HB3 ASN 11 1HB ASN 11 7.026 2.838 -1.247 67 HD21 ASN 11 2HD2 ASN 11 7.444 -0.068 -3.635 68 HD22 ASN 11 1HD2 ASN 11 6.169 1.084 -3.442 69 H ASN 12 H ASN 12 4.207 1.678 1.395 70 HA ASN 12 HA ASN 12 2.805 3.161 2.374 71 HB2 ASN 12 2HB ASN 12 5.390 3.546 3.650 72 HB3 ASN 12 1HB ASN 12 4.396 4.993 3.726 73 HD21 ASN 12 2HD2 ASN 12 2.540 1.731 5.310 74 HD22 ASN 12 1HD2 ASN 12 3.159 1.704 3.695 75 HA PRO 13 HA PRO 13 3.706 6.773 -0.457 76 HB2 PRO 13 2HB PRO 13 2.324 5.634 -2.695 77 HB3 PRO 13 1HB PRO 13 4.031 6.037 -2.574 78 HG2 PRO 13 2HG PRO 13 3.071 3.468 -2.789 79 HG3 PRO 13 1HG PRO 13 4.634 3.894 -2.070 80 HD2 PRO 13 2HD PRO 13 2.022 3.318 -0.714 81 HD3 PRO 13 1HD PRO 13 3.660 2.780 -0.281 82 H ASN 14 H ASN 14 0.888 4.813 -1.343 83 HA ASN 14 HA ASN 14 -0.894 7.063 -0.929 84 HB2 ASN 14 2HB ASN 14 -1.305 5.752 -2.900 85 HB3 ASN 14 1HB ASN 14 -1.321 4.258 -1.975 86 HD21 ASN 14 2HD2 ASN 14 -4.783 4.463 -2.178 87 HD22 ASN 14 1HD2 ASN 14 -3.333 3.665 -2.682 88 H GLN 15 H GLN 15 -1.185 3.652 -0.036 89 HA GLN 15 HA GLN 15 -2.192 2.600 1.689 90 HB2 GLN 15 2HB GLN 15 -0.146 4.008 2.730 91 HB3 GLN 15 1HB GLN 15 -1.478 4.708 3.641 92 HG2 GLN 15 2HG GLN 15 -0.680 1.816 3.510 93 HG3 GLN 15 1HG GLN 15 -0.551 2.897 4.893 94 HE21 GLN 15 2HE2 GLN 15 -4.059 1.064 3.962 95 HE22 GLN 15 1HE2 GLN 15 -2.708 1.055 2.881 96 H CYS 16 H CYS 16 -4.336 2.693 1.274 97 HA CYS 16 HA CYS 16 -5.975 4.958 1.509 98 HB2 CYS 16 2HB CYS 16 -6.754 2.042 1.715 99 HB3 CYS 16 1HB CYS 16 -7.845 3.382 1.369 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -7.639 -1.878 -5.902 2 H2 GLY 1 2HT GLY 1 -7.354 -2.546 -4.379 3 H3 GLY 1 3HT GLY 1 -6.163 -2.635 -5.573 4 HA2 GLY 1 1HA GLY 1 -5.895 -0.251 -5.549 5 HA3 GLY 1 2HA GLY 1 -7.157 -0.136 -4.332 6 H CYS 2 H CYS 2 -5.006 1.030 -3.515 7 HA CYS 2 HA CYS 2 -3.078 -0.812 -2.401 8 HB2 CYS 2 2HB CYS 2 -3.278 2.196 -2.301 9 HB3 CYS 2 1HB CYS 2 -1.983 1.267 -1.549 10 H CYS 3 H CYS 3 -5.935 -0.664 -1.386 11 HA CYS 3 HA CYS 3 -5.193 -0.336 1.445 12 HB2 CYS 3 2HB CYS 3 -7.077 1.116 0.473 13 HB3 CYS 3 1HB CYS 3 -8.020 -0.365 0.399 14 H SER 4 H SER 4 -5.556 -2.582 -0.899 15 HA SER 4 HA SER 4 -6.528 -4.631 0.974 16 HB2 SER 4 2HB SER 4 -6.336 -4.783 -2.045 17 HB3 SER 4 1HB SER 4 -7.018 -6.014 -0.982 18 HG SER 4 HG SER 4 -8.479 -4.217 -0.282 19 H ASN 5 H ASN 5 -3.843 -3.363 0.639 20 HA ASN 5 HA ASN 5 -1.650 -3.850 0.645 21 HB2 ASN 5 2HB ASN 5 -2.185 -5.284 2.493 22 HB3 ASN 5 1HB ASN 5 -2.688 -6.580 1.412 23 HD21 ASN 5 2HD2 ASN 5 1.247 -5.946 2.229 24 HD22 ASN 5 1HD2 ASN 5 0.032 -4.812 2.700 25 HA PRO 6 HA PRO 6 -0.861 -5.746 -3.349 26 HB2 PRO 6 2HB PRO 6 -0.253 -3.428 -4.677 27 HB3 PRO 6 1HB PRO 6 -1.847 -4.179 -4.691 28 HG2 PRO 6 2HG PRO 6 -1.024 -1.700 -3.441 29 HG3 PRO 6 1HG PRO 6 -2.654 -2.355 -3.649 30 HD2 PRO 6 2HD PRO 6 -0.934 -2.395 -1.287 31 HD3 PRO 6 1HD PRO 6 -2.663 -2.765 -1.425 32 H ALA 7 H ALA 7 0.885 -2.712 -3.320 33 HA ALA 7 HA ALA 7 3.040 -3.834 -1.693 34 HB1 ALA 7 1HB ALA 7 4.745 -3.085 -3.274 35 HB2 ALA 7 2HB ALA 7 3.484 -2.581 -4.400 36 HB3 ALA 7 3HB ALA 7 3.681 -4.288 -4.002 37 H CYS 8 H CYS 8 0.892 -1.451 -2.243 38 HA CYS 8 HA CYS 8 2.354 0.917 -1.836 39 HB2 CYS 8 2HB CYS 8 -0.491 0.094 -1.680 40 HB3 CYS 8 1HB CYS 8 -0.034 1.616 -0.930 41 H ILE 9 H ILE 9 0.979 -1.417 0.378 42 HA ILE 9 HA ILE 9 1.073 0.207 2.703 43 HB ILE 9 HB ILE 9 1.543 -2.744 2.916 44 HG12 ILE 9 2HG1 ILE 9 -0.094 -2.578 1.105 45 HG13 ILE 9 1HG1 ILE 9 -0.836 -3.225 2.562 46 HG21 ILE 9 1HG2 ILE 9 1.348 -1.426 4.936 47 HG22 ILE 9 2HG2 ILE 9 -0.028 -2.519 4.789 48 HG23 ILE 9 3HG2 ILE 9 -0.218 -0.807 4.409 49 HD11 ILE 9 3HD1 ILE 9 -1.819 -1.045 3.026 50 HD12 ILE 9 1HD1 ILE 9 -2.304 -1.659 1.446 51 HD13 ILE 9 2HD1 ILE 9 -1.074 -0.401 1.563 52 H LEU 10 H LEU 10 3.347 -1.915 1.091 53 HA LEU 10 HA LEU 10 5.352 -1.967 3.063 54 HB2 LEU 10 2HB LEU 10 5.271 -3.566 1.231 55 HB3 LEU 10 1HB LEU 10 5.541 -2.283 0.068 56 HG LEU 10 HG LEU 10 7.790 -1.909 1.070 57 HD11 LEU 10 1HD1 LEU 10 8.718 -3.645 2.530 58 HD12 LEU 10 2HD1 LEU 10 7.130 -4.404 2.626 59 HD13 LEU 10 3HD1 LEU 10 7.378 -2.790 3.291 60 HD21 LEU 10 3HD2 LEU 10 8.812 -3.898 0.089 61 HD22 LEU 10 1HD2 LEU 10 7.512 -3.275 -0.927 62 HD23 LEU 10 2HD2 LEU 10 7.242 -4.701 0.074 63 H ASN 11 H ASN 11 5.298 -0.093 0.017 64 HA ASN 11 HA ASN 11 7.608 1.401 0.854 65 HB2 ASN 11 2HB ASN 11 5.835 1.812 -1.562 66 HB3 ASN 11 1HB ASN 11 7.406 2.561 -1.299 67 HD21 ASN 11 2HD2 ASN 11 7.103 -1.199 -2.732 68 HD22 ASN 11 1HD2 ASN 11 5.717 -0.274 -2.271 69 H ASN 12 H ASN 12 4.285 1.748 1.231 70 HA ASN 12 HA ASN 12 2.889 3.340 2.015 71 HB2 ASN 12 2HB ASN 12 5.407 3.780 3.388 72 HB3 ASN 12 1HB ASN 12 4.467 5.260 3.257 73 HD21 ASN 12 2HD2 ASN 12 2.433 2.221 5.066 74 HD22 ASN 12 1HD2 ASN 12 3.174 1.984 3.523 75 HA PRO 13 HA PRO 13 4.047 6.664 -1.072 76 HB2 PRO 13 2HB PRO 13 3.236 5.766 -3.435 77 HB3 PRO 13 1HB PRO 13 4.784 5.250 -2.768 78 HG2 PRO 13 2HG PRO 13 2.189 3.787 -2.844 79 HG3 PRO 13 1HG PRO 13 3.828 3.178 -3.128 80 HD2 PRO 13 2HD PRO 13 2.428 2.964 -0.735 81 HD3 PRO 13 1HD PRO 13 4.185 2.808 -0.912 82 H ASN 14 H ASN 14 1.326 4.810 -0.272 83 HA ASN 14 HA ASN 14 -0.498 6.980 -0.799 84 HB2 ASN 14 2HB ASN 14 -0.493 5.874 -2.968 85 HB3 ASN 14 1HB ASN 14 -0.799 4.317 -2.207 86 HD21 ASN 14 2HD2 ASN 14 -4.129 4.905 -3.076 87 HD22 ASN 14 1HD2 ASN 14 -2.675 4.046 -3.441 88 H GLN 15 H GLN 15 -0.744 3.448 -0.286 89 HA GLN 15 HA GLN 15 -2.111 2.237 1.102 90 HB2 GLN 15 2HB GLN 15 -0.493 3.961 2.664 91 HB3 GLN 15 1HB GLN 15 -2.081 3.965 3.414 92 HG2 GLN 15 2HG GLN 15 -0.541 1.464 2.766 93 HG3 GLN 15 1HG GLN 15 -0.395 2.318 4.295 94 HE21 GLN 15 2HE2 GLN 15 -4.106 0.744 3.600 95 HE22 GLN 15 1HE2 GLN 15 -3.316 1.675 2.378 96 H CYS 16 H CYS 16 -3.885 3.263 3.222 97 HA CYS 16 HA CYS 16 -5.668 4.998 1.687 98 HB2 CYS 16 2HB CYS 16 -7.587 3.592 2.543 99 HB3 CYS 16 1HB CYS 16 -6.605 2.861 1.286 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -7.236 -0.803 -7.129 2 H2 GLY 1 2HT GLY 1 -5.716 -1.535 -7.049 3 H3 GLY 1 3HT GLY 1 -5.863 0.132 -6.816 4 HA2 GLY 1 1HA GLY 1 -7.146 -0.247 -4.797 5 HA3 GLY 1 2HA GLY 1 -6.954 -1.976 -5.038 6 H CYS 2 H CYS 2 -5.967 0.210 -3.039 7 HA CYS 2 HA CYS 2 -3.371 -1.029 -2.647 8 HB2 CYS 2 2HB CYS 2 -3.724 1.899 -3.241 9 HB3 CYS 2 1HB CYS 2 -2.374 1.313 -2.275 10 H CYS 3 H CYS 3 -5.790 -1.170 -1.130 11 HA CYS 3 HA CYS 3 -5.046 0.392 1.248 12 HB2 CYS 3 2HB CYS 3 -7.343 0.754 0.350 13 HB3 CYS 3 1HB CYS 3 -7.702 -0.937 0.692 14 H SER 4 H SER 4 -5.508 -2.827 0.012 15 HA SER 4 HA SER 4 -5.391 -4.084 2.597 16 HB2 SER 4 2HB SER 4 -6.599 -5.123 0.696 17 HB3 SER 4 1HB SER 4 -5.072 -5.305 -0.159 18 HG SER 4 HG SER 4 -4.831 -6.364 2.288 19 H ASN 5 H ASN 5 -3.254 -5.182 0.007 20 HA ASN 5 HA ASN 5 -1.065 -3.559 0.549 21 HB2 ASN 5 2HB ASN 5 -0.913 -4.713 2.718 22 HB3 ASN 5 1HB ASN 5 -0.764 -6.258 1.876 23 HD21 ASN 5 2HD2 ASN 5 2.677 -5.821 2.196 24 HD22 ASN 5 1HD2 ASN 5 1.266 -6.687 2.691 25 HA PRO 6 HA PRO 6 -0.331 -6.086 -3.201 26 HB2 PRO 6 2HB PRO 6 -0.313 -3.962 -4.907 27 HB3 PRO 6 1HB PRO 6 -1.757 -4.923 -4.577 28 HG2 PRO 6 2HG PRO 6 -0.988 -2.242 -3.538 29 HG3 PRO 6 1HG PRO 6 -2.590 -2.874 -3.944 30 HD2 PRO 6 2HD PRO 6 -1.594 -2.648 -1.386 31 HD3 PRO 6 1HD PRO 6 -2.886 -3.764 -1.870 32 H ALA 7 H ALA 7 0.661 -2.712 -2.759 33 HA ALA 7 HA ALA 7 3.280 -3.370 -1.859 34 HB1 ALA 7 1HB ALA 7 4.549 -2.373 -3.687 35 HB2 ALA 7 2HB ALA 7 3.061 -2.106 -4.595 36 HB3 ALA 7 3HB ALA 7 3.610 -3.750 -4.266 37 H CYS 8 H CYS 8 0.821 -1.159 -2.840 38 HA CYS 8 HA CYS 8 1.920 1.309 -2.262 39 HB2 CYS 8 2HB CYS 8 -0.845 0.190 -2.110 40 HB3 CYS 8 1HB CYS 8 -0.513 1.863 -1.717 41 H ILE 9 H ILE 9 0.753 -1.117 -0.085 42 HA ILE 9 HA ILE 9 0.760 0.634 2.226 43 HB ILE 9 HB ILE 9 0.788 -2.373 2.359 44 HG12 ILE 9 2HG1 ILE 9 -0.852 -1.714 0.650 45 HG13 ILE 9 1HG1 ILE 9 -1.628 -2.395 2.078 46 HG21 ILE 9 1HG2 ILE 9 -0.525 -0.255 4.056 47 HG22 ILE 9 2HG2 ILE 9 0.943 -1.143 4.455 48 HG23 ILE 9 3HG2 ILE 9 -0.596 -1.994 4.341 49 HD11 ILE 9 3HD1 ILE 9 -2.824 -0.469 1.204 50 HD12 ILE 9 1HD1 ILE 9 -1.389 0.527 1.439 51 HD13 ILE 9 2HD1 ILE 9 -2.211 -0.178 2.832 52 H LEU 10 H LEU 10 2.603 -2.192 1.155 53 HA LEU 10 HA LEU 10 4.554 -2.333 3.073 54 HB2 LEU 10 2HB LEU 10 4.288 -3.983 1.313 55 HB3 LEU 10 1HB LEU 10 4.813 -2.824 0.108 56 HG LEU 10 HG LEU 10 7.051 -2.771 1.194 57 HD11 LEU 10 1HD1 LEU 10 5.940 -5.047 2.829 58 HD12 LEU 10 2HD1 LEU 10 6.384 -3.452 3.436 59 HD13 LEU 10 3HD1 LEU 10 7.625 -4.528 2.790 60 HD21 LEU 10 3HD2 LEU 10 6.091 -5.492 0.320 61 HD22 LEU 10 1HD2 LEU 10 7.768 -4.946 0.356 62 HD23 LEU 10 2HD2 LEU 10 6.616 -4.188 -0.745 63 H ASN 11 H ASN 11 4.854 -0.540 0.001 64 HA ASN 11 HA ASN 11 7.269 0.758 0.929 65 HB2 ASN 11 2HB ASN 11 5.671 1.330 -1.580 66 HB3 ASN 11 1HB ASN 11 7.330 1.815 -1.255 67 HD21 ASN 11 2HD2 ASN 11 7.071 -1.272 -3.408 68 HD22 ASN 11 1HD2 ASN 11 6.230 0.238 -3.434 69 H ASN 12 H ASN 12 3.951 1.268 0.944 70 HA ASN 12 HA ASN 12 2.531 2.858 1.636 71 HB2 ASN 12 2HB ASN 12 4.132 2.444 3.633 72 HB3 ASN 12 1HB ASN 12 4.735 4.058 3.274 73 HD21 ASN 12 2HD2 ASN 12 1.832 3.948 5.742 74 HD22 ASN 12 1HD2 ASN 12 3.192 2.897 5.553 75 HA PRO 13 HA PRO 13 4.137 6.489 -0.813 76 HB2 PRO 13 2HB PRO 13 3.744 5.863 -3.346 77 HB3 PRO 13 1HB PRO 13 5.144 5.222 -2.490 78 HG2 PRO 13 2HG PRO 13 2.570 3.871 -3.151 79 HG3 PRO 13 1HG PRO 13 4.224 3.241 -3.265 80 HD2 PRO 13 2HD PRO 13 2.481 2.808 -1.141 81 HD3 PRO 13 1HD PRO 13 4.242 2.610 -1.080 82 H ASN 14 H ASN 14 1.382 4.702 -0.385 83 HA ASN 14 HA ASN 14 -0.355 6.843 -1.337 84 HB2 ASN 14 2HB ASN 14 -0.145 5.135 -3.173 85 HB3 ASN 14 1HB ASN 14 -0.828 3.944 -2.073 86 HD21 ASN 14 2HD2 ASN 14 -4.132 4.989 -2.491 87 HD22 ASN 14 1HD2 ASN 14 -3.022 3.991 -1.621 88 H GLN 15 H GLN 15 -0.554 3.525 -0.047 89 HA GLN 15 HA GLN 15 -1.918 2.590 1.519 90 HB2 GLN 15 2HB GLN 15 -0.260 4.481 2.675 91 HB3 GLN 15 1HB GLN 15 -1.833 4.841 3.379 92 HG2 GLN 15 2HG GLN 15 -0.603 2.099 3.350 93 HG3 GLN 15 1HG GLN 15 -0.377 3.250 4.664 94 HE21 GLN 15 2HE2 GLN 15 -3.907 1.291 4.154 95 HE22 GLN 15 1HE2 GLN 15 -2.717 1.374 2.895 96 H CYS 16 H CYS 16 -3.832 3.435 3.291 97 HA CYS 16 HA CYS 16 -5.668 5.060 1.700 98 HB2 CYS 16 2HB CYS 16 -7.492 3.451 2.365 99 HB3 CYS 16 1HB CYS 16 -6.342 2.840 1.190 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -7.372 -2.694 -4.224 2 H2 GLY 1 2HT GLY 1 -6.184 -3.385 -5.206 3 H3 GLY 1 3HT GLY 1 -7.476 -2.548 -5.906 4 HA2 GLY 1 1HA GLY 1 -5.487 -1.199 -5.956 5 HA3 GLY 1 2HA GLY 1 -6.713 -0.482 -4.922 6 H CYS 2 H CYS 2 -4.650 0.613 -4.134 7 HA CYS 2 HA CYS 2 -2.957 -1.077 -2.486 8 HB2 CYS 2 2HB CYS 2 -2.833 1.875 -3.108 9 HB3 CYS 2 1HB CYS 2 -1.674 1.024 -2.091 10 H CYS 3 H CYS 3 -5.896 -0.131 -1.898 11 HA CYS 3 HA CYS 3 -5.470 0.877 0.787 12 HB2 CYS 3 2HB CYS 3 -7.460 1.609 -0.505 13 HB3 CYS 3 1HB CYS 3 -8.035 -0.052 -0.535 14 H SER 4 H SER 4 -6.339 -2.114 -0.852 15 HA SER 4 HA SER 4 -5.912 -3.591 1.649 16 HB2 SER 4 2HB SER 4 -7.934 -4.172 0.308 17 HB3 SER 4 1HB SER 4 -6.886 -4.603 -1.042 18 HG SER 4 HG SER 4 -6.317 -6.404 -0.056 19 H ASN 5 H ASN 5 -3.956 -4.355 2.012 20 HA ASN 5 HA ASN 5 -1.716 -3.557 0.804 21 HB2 ASN 5 2HB ASN 5 -1.685 -4.631 2.957 22 HB3 ASN 5 1HB ASN 5 -2.113 -6.180 2.239 23 HD21 ASN 5 2HD2 ASN 5 1.143 -6.987 1.263 24 HD22 ASN 5 1HD2 ASN 5 -0.542 -7.360 1.141 25 HA PRO 6 HA PRO 6 -1.064 -6.220 -2.756 26 HB2 PRO 6 2HB PRO 6 -0.482 -4.121 -4.460 27 HB3 PRO 6 1HB PRO 6 -2.070 -4.870 -4.299 28 HG2 PRO 6 2HG PRO 6 -1.307 -2.217 -3.564 29 HG3 PRO 6 1HG PRO 6 -2.884 -2.991 -3.351 30 HD2 PRO 6 2HD PRO 6 -0.689 -2.611 -1.397 31 HD3 PRO 6 1HD PRO 6 -2.433 -2.787 -1.118 32 H ALA 7 H ALA 7 0.719 -3.211 -3.178 33 HA ALA 7 HA ALA 7 3.098 -4.344 -1.905 34 HB1 ALA 7 1HB ALA 7 3.140 -3.088 -4.647 35 HB2 ALA 7 2HB ALA 7 3.273 -4.814 -4.316 36 HB3 ALA 7 3HB ALA 7 4.526 -3.710 -3.754 37 H CYS 8 H CYS 8 1.210 -1.598 -2.912 38 HA CYS 8 HA CYS 8 2.849 0.548 -2.525 39 HB2 CYS 8 2HB CYS 8 -0.058 0.145 -1.923 40 HB3 CYS 8 1HB CYS 8 0.716 1.703 -1.675 41 H ILE 9 H ILE 9 1.100 -1.206 0.004 42 HA ILE 9 HA ILE 9 1.484 0.539 2.140 43 HB ILE 9 HB ILE 9 1.688 -2.391 2.680 44 HG12 ILE 9 2HG1 ILE 9 0.141 -2.296 0.791 45 HG13 ILE 9 1HG1 ILE 9 -0.700 -2.723 2.277 46 HG21 ILE 9 1HG2 ILE 9 1.535 -0.818 4.524 47 HG22 ILE 9 2HG2 ILE 9 0.097 -1.838 4.456 48 HG23 ILE 9 3HG2 ILE 9 0.027 -0.175 3.871 49 HD11 ILE 9 3HD1 ILE 9 -1.545 -0.461 2.467 50 HD12 ILE 9 1HD1 ILE 9 -1.990 -1.175 0.917 51 HD13 ILE 9 2HD1 ILE 9 -0.676 0.001 1.003 52 H LEU 10 H LEU 10 3.661 -1.794 0.715 53 HA LEU 10 HA LEU 10 5.530 -1.942 2.837 54 HB2 LEU 10 2HB LEU 10 5.712 -2.556 -0.098 55 HB3 LEU 10 1HB LEU 10 7.105 -2.701 0.952 56 HG LEU 10 HG LEU 10 5.814 -4.350 2.330 57 HD11 LEU 10 1HD1 LEU 10 3.555 -3.703 1.695 58 HD12 LEU 10 2HD1 LEU 10 3.850 -5.405 1.334 59 HD13 LEU 10 3HD1 LEU 10 3.866 -4.212 0.035 60 HD21 LEU 10 3HD2 LEU 10 6.230 -5.015 -0.579 61 HD22 LEU 10 1HD2 LEU 10 6.082 -6.186 0.731 62 HD23 LEU 10 2HD2 LEU 10 7.451 -5.075 0.693 63 H ASN 11 H ASN 11 5.022 0.385 0.318 64 HA ASN 11 HA ASN 11 7.590 1.672 0.972 65 HB2 ASN 11 2HB ASN 11 5.829 2.062 -1.456 66 HB3 ASN 11 1HB ASN 11 7.356 2.883 -1.160 67 HD21 ASN 11 2HD2 ASN 11 7.657 -0.176 -3.368 68 HD22 ASN 11 1HD2 ASN 11 6.490 1.100 -3.326 69 H ASN 12 H ASN 12 4.272 1.863 1.298 70 HA ASN 12 HA ASN 12 2.786 3.321 2.156 71 HB2 ASN 12 2HB ASN 12 5.263 4.407 3.497 72 HB3 ASN 12 1HB ASN 12 3.618 4.849 3.938 73 HD21 ASN 12 2HD2 ASN 12 2.944 1.883 5.670 74 HD22 ASN 12 1HD2 ASN 12 2.279 3.284 4.906 75 HA PRO 13 HA PRO 13 3.983 6.942 -0.613 76 HB2 PRO 13 2HB PRO 13 2.369 5.913 -2.774 77 HB3 PRO 13 1HB PRO 13 4.098 6.262 -2.772 78 HG2 PRO 13 2HG PRO 13 3.051 3.738 -2.955 79 HG3 PRO 13 1HG PRO 13 4.662 4.100 -2.310 80 HD2 PRO 13 2HD PRO 13 2.116 3.534 -0.844 81 HD3 PRO 13 1HD PRO 13 3.771 2.997 -0.482 82 H ASN 14 H ASN 14 0.938 5.135 -0.997 83 HA ASN 14 HA ASN 14 -0.502 7.576 -0.238 84 HB2 ASN 14 2HB ASN 14 -2.409 6.749 -1.538 85 HB3 ASN 14 1HB ASN 14 -0.977 6.907 -2.544 86 HD21 ASN 14 2HD2 ASN 14 -2.859 3.683 -3.089 87 HD22 ASN 14 1HD2 ASN 14 -3.390 5.315 -2.903 88 H GLN 15 H GLN 15 -0.753 4.006 -0.072 89 HA GLN 15 HA GLN 15 -1.704 2.611 1.412 90 HB2 GLN 15 2HB GLN 15 -0.058 4.235 2.842 91 HB3 GLN 15 1HB GLN 15 -1.579 4.495 3.691 92 HG2 GLN 15 2HG GLN 15 -0.285 1.826 3.172 93 HG3 GLN 15 1HG GLN 15 -0.190 2.726 4.681 94 HE21 GLN 15 2HE2 GLN 15 -3.532 0.637 3.690 95 HE22 GLN 15 1HE2 GLN 15 -2.321 1.019 2.506 96 H CYS 16 H CYS 16 -3.388 3.426 3.745 97 HA CYS 16 HA CYS 16 -5.628 4.819 2.677 98 HB2 CYS 16 2HB CYS 16 -5.636 2.783 1.259 99 HB3 CYS 16 1HB CYS 16 -5.762 1.793 2.706 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -5.654 0.121 -6.748 2 H2 GLY 1 2HT GLY 1 -6.074 1.306 -5.621 3 H3 GLY 1 3HT GLY 1 -7.276 0.539 -6.519 4 HA2 GLY 1 1HA GLY 1 -7.263 -0.351 -4.307 5 HA3 GLY 1 2HA GLY 1 -6.752 -1.571 -5.463 6 H CYS 2 H CYS 2 -5.530 0.826 -3.153 7 HA CYS 2 HA CYS 2 -3.344 -1.054 -2.587 8 HB2 CYS 2 2HB CYS 2 -3.144 1.946 -2.803 9 HB3 CYS 2 1HB CYS 2 -1.936 0.957 -1.985 10 H CYS 3 H CYS 3 -6.072 -0.110 -1.392 11 HA CYS 3 HA CYS 3 -5.295 0.882 1.178 12 HB2 CYS 3 2HB CYS 3 -7.477 1.422 0.083 13 HB3 CYS 3 1HB CYS 3 -7.970 -0.249 0.342 14 H SER 4 H SER 4 -6.009 -2.270 -0.205 15 HA SER 4 HA SER 4 -6.132 -3.538 2.383 16 HB2 SER 4 2HB SER 4 -7.456 -4.368 0.430 17 HB3 SER 4 1HB SER 4 -5.948 -4.864 -0.331 18 HG SER 4 HG SER 4 -6.456 -6.655 0.700 19 H ASN 5 H ASN 5 -4.144 -4.774 -0.289 20 HA ASN 5 HA ASN 5 -1.687 -3.970 0.819 21 HB2 ASN 5 2HB ASN 5 -1.943 -5.522 2.574 22 HB3 ASN 5 1HB ASN 5 -2.535 -6.782 1.488 23 HD21 ASN 5 2HD2 ASN 5 1.471 -6.057 1.842 24 HD22 ASN 5 1HD2 ASN 5 0.302 -4.934 2.442 25 HA PRO 6 HA PRO 6 -0.202 -5.545 -2.988 26 HB2 PRO 6 2HB PRO 6 0.010 -3.216 -4.357 27 HB3 PRO 6 1HB PRO 6 -1.443 -4.212 -4.425 28 HG2 PRO 6 2HG PRO 6 -1.056 -1.610 -3.177 29 HG3 PRO 6 1HG PRO 6 -2.559 -2.469 -3.539 30 HD2 PRO 6 2HD PRO 6 -1.086 -2.308 -1.014 31 HD3 PRO 6 1HD PRO 6 -2.737 -2.886 -1.314 32 H ALA 7 H ALA 7 1.775 -3.611 -4.005 33 HA ALA 7 HA ALA 7 3.652 -3.723 -1.846 34 HB1 ALA 7 1HB ALA 7 5.212 -2.683 -3.395 35 HB2 ALA 7 2HB ALA 7 3.892 -2.357 -4.520 36 HB3 ALA 7 3HB ALA 7 4.355 -4.021 -4.160 37 H CYS 8 H CYS 8 1.245 -1.519 -2.730 38 HA CYS 8 HA CYS 8 2.353 0.960 -2.166 39 HB2 CYS 8 2HB CYS 8 -0.412 -0.159 -1.979 40 HB3 CYS 8 1HB CYS 8 -0.075 1.493 -1.503 41 H ILE 9 H ILE 9 1.177 -1.493 0.029 42 HA ILE 9 HA ILE 9 1.103 0.155 2.351 43 HB ILE 9 HB ILE 9 1.749 -2.762 2.557 44 HG12 ILE 9 2HG1 ILE 9 0.037 -2.646 0.816 45 HG13 ILE 9 1HG1 ILE 9 -0.613 -3.336 2.298 46 HG21 ILE 9 1HG2 ILE 9 0.225 -2.609 4.486 47 HG22 ILE 9 2HG2 ILE 9 -0.026 -0.900 4.130 48 HG23 ILE 9 3HG2 ILE 9 1.574 -1.479 4.597 49 HD11 ILE 9 3HD1 ILE 9 -1.011 -0.516 1.343 50 HD12 ILE 9 1HD1 ILE 9 -1.661 -1.203 2.831 51 HD13 ILE 9 2HD1 ILE 9 -2.194 -1.823 1.268 52 H LEU 10 H LEU 10 3.497 -2.097 1.060 53 HA LEU 10 HA LEU 10 5.315 -1.947 3.185 54 HB2 LEU 10 2HB LEU 10 5.657 -2.728 0.299 55 HB3 LEU 10 1HB LEU 10 6.982 -2.787 1.443 56 HG LEU 10 HG LEU 10 5.601 -4.375 2.831 57 HD11 LEU 10 1HD1 LEU 10 3.400 -3.837 1.941 58 HD12 LEU 10 2HD1 LEU 10 3.765 -5.548 1.726 59 HD13 LEU 10 3HD1 LEU 10 3.879 -4.444 0.356 60 HD21 LEU 10 3HD2 LEU 10 6.063 -6.302 1.390 61 HD22 LEU 10 1HD2 LEU 10 7.403 -5.156 1.405 62 HD23 LEU 10 2HD2 LEU 10 6.308 -5.214 0.024 63 H ASN 11 H ASN 11 5.364 -0.255 0.046 64 HA ASN 11 HA ASN 11 7.614 1.368 0.866 65 HB2 ASN 11 2HB ASN 11 5.857 1.381 -1.588 66 HB3 ASN 11 1HB ASN 11 7.133 2.562 -1.329 67 HD21 ASN 11 2HD2 ASN 11 8.221 -0.474 -3.316 68 HD22 ASN 11 1HD2 ASN 11 6.761 0.456 -3.365 69 H ASN 12 H ASN 12 4.249 1.482 0.979 70 HA ASN 12 HA ASN 12 2.697 2.859 1.820 71 HB2 ASN 12 2HB ASN 12 4.454 2.650 3.705 72 HB3 ASN 12 1HB ASN 12 4.822 4.321 3.332 73 HD21 ASN 12 2HD2 ASN 12 1.473 3.285 5.308 74 HD22 ASN 12 1HD2 ASN 12 2.550 2.129 4.599 75 HA PRO 13 HA PRO 13 3.661 6.740 -0.541 76 HB2 PRO 13 2HB PRO 13 3.467 6.169 -3.136 77 HB3 PRO 13 1HB PRO 13 4.963 5.885 -2.245 78 HG2 PRO 13 2HG PRO 13 2.943 3.939 -3.202 79 HG3 PRO 13 1HG PRO 13 4.687 3.734 -2.985 80 HD2 PRO 13 2HD PRO 13 2.618 2.940 -1.202 81 HD3 PRO 13 1HD PRO 13 4.367 2.870 -0.918 82 H ASN 14 H ASN 14 1.265 4.287 -0.763 83 HA ASN 14 HA ASN 14 -0.811 6.273 -1.202 84 HB2 ASN 14 2HB ASN 14 -0.047 5.222 -3.450 85 HB3 ASN 14 1HB ASN 14 -0.873 3.775 -2.882 86 HD21 ASN 14 2HD2 ASN 14 -4.111 5.066 -3.331 87 HD22 ASN 14 1HD2 ASN 14 -3.147 3.879 -2.521 88 H GLN 15 H GLN 15 -0.212 4.968 1.142 89 HA GLN 15 HA GLN 15 -2.111 2.855 1.491 90 HB2 GLN 15 2HB GLN 15 0.050 3.884 2.988 91 HB3 GLN 15 1HB GLN 15 -1.390 4.105 3.978 92 HG2 GLN 15 2HG GLN 15 -0.410 1.533 2.764 93 HG3 GLN 15 1HG GLN 15 -0.376 1.982 4.470 94 HE21 GLN 15 2HE2 GLN 15 -3.820 0.742 2.689 95 HE22 GLN 15 1HE2 GLN 15 -2.469 1.305 1.754 96 H CYS 16 H CYS 16 -4.064 2.985 2.624 97 HA CYS 16 HA CYS 16 -5.425 5.482 2.126 98 HB2 CYS 16 2HB CYS 16 -7.469 4.123 2.739 99 HB3 CYS 16 1HB CYS 16 -6.561 3.538 1.355 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -7.737 0.363 -3.914 2 H2 GLY 1 2HT GLY 1 -7.780 0.953 -5.498 3 H3 GLY 1 3HT GLY 1 -6.674 1.588 -4.392 4 HA2 GLY 1 1HA GLY 1 -6.689 -1.186 -5.434 5 HA3 GLY 1 2HA GLY 1 -5.587 0.086 -5.935 6 H CYS 2 H CYS 2 -4.917 1.238 -3.495 7 HA CYS 2 HA CYS 2 -3.154 -0.874 -2.560 8 HB2 CYS 2 2HB CYS 2 -3.062 2.099 -2.078 9 HB3 CYS 2 1HB CYS 2 -1.860 0.936 -1.514 10 H CYS 3 H CYS 3 -6.082 0.174 -1.584 11 HA CYS 3 HA CYS 3 -5.530 0.117 1.269 12 HB2 CYS 3 2HB CYS 3 -7.252 1.643 0.163 13 HB3 CYS 3 1HB CYS 3 -8.238 0.209 -0.073 14 H SER 4 H SER 4 -5.620 -2.149 -1.006 15 HA SER 4 HA SER 4 -6.936 -4.146 0.711 16 HB2 SER 4 2HB SER 4 -6.400 -4.344 -2.263 17 HB3 SER 4 1HB SER 4 -7.341 -5.467 -1.278 18 HG SER 4 HG SER 4 -8.935 -3.990 -1.080 19 H ASN 5 H ASN 5 -4.277 -3.133 1.014 20 HA ASN 5 HA ASN 5 -2.115 -3.716 1.269 21 HB2 ASN 5 2HB ASN 5 -3.029 -5.040 3.002 22 HB3 ASN 5 1HB ASN 5 -3.515 -6.307 1.885 23 HD21 ASN 5 2HD2 ASN 5 0.535 -6.167 2.183 24 HD22 ASN 5 1HD2 ASN 5 -0.357 -4.831 1.554 25 HA PRO 6 HA PRO 6 -0.627 -5.665 -2.454 26 HB2 PRO 6 2HB PRO 6 -0.362 -3.519 -4.073 27 HB3 PRO 6 1HB PRO 6 -1.856 -4.447 -3.998 28 HG2 PRO 6 2HG PRO 6 -1.313 -1.747 -3.041 29 HG3 PRO 6 1HG PRO 6 -2.865 -2.558 -3.306 30 HD2 PRO 6 2HD PRO 6 -1.370 -2.208 -0.817 31 HD3 PRO 6 1HD PRO 6 -3.044 -2.755 -1.050 32 H ALA 7 H ALA 7 1.370 -3.991 -3.741 33 HA ALA 7 HA ALA 7 3.381 -4.071 -1.741 34 HB1 ALA 7 1HB ALA 7 3.830 -4.508 -4.101 35 HB2 ALA 7 2HB ALA 7 4.873 -3.245 -3.451 36 HB3 ALA 7 3HB ALA 7 3.501 -2.817 -4.471 37 H CYS 8 H CYS 8 1.085 -1.668 -2.489 38 HA CYS 8 HA CYS 8 2.477 0.685 -1.981 39 HB2 CYS 8 2HB CYS 8 -0.335 -0.183 -1.829 40 HB3 CYS 8 1HB CYS 8 0.084 1.243 -0.891 41 H ILE 9 H ILE 9 1.360 -1.758 0.246 42 HA ILE 9 HA ILE 9 1.566 -0.131 2.593 43 HB ILE 9 HB ILE 9 1.924 -3.088 2.767 44 HG12 ILE 9 2HG1 ILE 9 0.244 -2.835 1.021 45 HG13 ILE 9 1HG1 ILE 9 -0.488 -3.449 2.503 46 HG21 ILE 9 1HG2 ILE 9 0.447 -2.811 4.703 47 HG22 ILE 9 2HG2 ILE 9 0.284 -1.095 4.327 48 HG23 ILE 9 3HG2 ILE 9 1.853 -1.751 4.796 49 HD11 ILE 9 3HD1 ILE 9 -1.346 -1.224 2.999 50 HD12 ILE 9 1HD1 ILE 9 -1.903 -1.793 1.427 51 HD13 ILE 9 2HD1 ILE 9 -0.603 -0.607 1.523 52 H LEU 10 H LEU 10 3.730 -1.985 0.673 53 HA LEU 10 HA LEU 10 5.811 -2.344 2.553 54 HB2 LEU 10 2HB LEU 10 5.698 -3.646 0.511 55 HB3 LEU 10 1HB LEU 10 5.885 -2.198 -0.459 56 HG LEU 10 HG LEU 10 8.165 -1.907 0.501 57 HD11 LEU 10 1HD1 LEU 10 9.197 -3.818 1.640 58 HD12 LEU 10 2HD1 LEU 10 7.628 -4.623 1.687 59 HD13 LEU 10 3HD1 LEU 10 7.875 -3.121 2.577 60 HD21 LEU 10 3HD2 LEU 10 7.663 -4.542 -0.870 61 HD22 LEU 10 1HD2 LEU 10 9.195 -3.671 -0.819 62 HD23 LEU 10 2HD2 LEU 10 7.814 -2.977 -1.667 63 H ASN 11 H ASN 11 5.258 0.184 0.098 64 HA ASN 11 HA ASN 11 7.594 1.620 1.132 65 HB2 ASN 11 2HB ASN 11 5.967 2.133 -1.365 66 HB3 ASN 11 1HB ASN 11 7.416 3.012 -0.890 67 HD21 ASN 11 2HD2 ASN 11 7.663 -0.594 -2.700 68 HD22 ASN 11 1HD2 ASN 11 6.147 0.098 -2.232 69 H ASN 12 H ASN 12 4.246 1.618 1.251 70 HA ASN 12 HA ASN 12 2.634 2.937 2.094 71 HB2 ASN 12 2HB ASN 12 4.924 4.072 3.700 72 HB3 ASN 12 1HB ASN 12 3.221 4.337 4.047 73 HD21 ASN 12 2HD2 ASN 12 2.675 1.120 5.382 74 HD22 ASN 12 1HD2 ASN 12 1.921 2.469 4.603 75 HA PRO 13 HA PRO 13 3.580 6.830 -0.256 76 HB2 PRO 13 2HB PRO 13 2.551 5.953 -2.729 77 HB3 PRO 13 1HB PRO 13 4.250 6.209 -2.333 78 HG2 PRO 13 2HG PRO 13 3.016 3.744 -2.900 79 HG3 PRO 13 1HG PRO 13 4.636 3.986 -2.231 80 HD2 PRO 13 2HD PRO 13 2.102 3.278 -0.854 81 HD3 PRO 13 1HD PRO 13 3.775 2.837 -0.450 82 H ASN 14 H ASN 14 1.002 4.791 -1.582 83 HA ASN 14 HA ASN 14 -0.986 6.830 -0.984 84 HB2 ASN 14 2HB ASN 14 -1.127 5.877 -3.189 85 HB3 ASN 14 1HB ASN 14 -1.096 4.240 -2.544 86 HD21 ASN 14 2HD2 ASN 14 -4.543 4.272 -2.993 87 HD22 ASN 14 1HD2 ASN 14 -3.006 3.653 -3.503 88 H GLN 15 H GLN 15 -0.908 3.286 -0.668 89 HA GLN 15 HA GLN 15 -1.782 1.855 0.798 90 HB2 GLN 15 2HB GLN 15 -0.178 3.370 2.266 91 HB3 GLN 15 1HB GLN 15 -1.690 3.851 3.018 92 HG2 GLN 15 2HG GLN 15 -0.676 1.031 2.765 93 HG3 GLN 15 1HG GLN 15 -0.597 2.028 4.214 94 HE21 GLN 15 2HE2 GLN 15 -4.083 0.272 3.075 95 HE22 GLN 15 1HE2 GLN 15 -2.759 0.440 1.965 96 H CYS 16 H CYS 16 -3.212 4.324 2.813 97 HA CYS 16 HA CYS 16 -5.706 4.461 1.496 98 HB2 CYS 16 2HB CYS 16 -5.568 2.013 2.281 99 HB3 CYS 16 1HB CYS 16 -5.735 2.649 3.909 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -5.891 2.519 -5.632 2 H2 GLY 1 2HT GLY 1 -6.905 3.156 -4.438 3 H3 GLY 1 3HT GLY 1 -7.561 2.280 -5.724 4 HA2 GLY 1 1HA GLY 1 -7.529 0.924 -3.749 5 HA3 GLY 1 2HA GLY 1 -6.443 0.276 -4.972 6 H CYS 2 H CYS 2 -4.920 -0.691 -3.782 7 HA CYS 2 HA CYS 2 -3.126 -0.979 -2.438 8 HB2 CYS 2 2HB CYS 2 -3.017 2.004 -2.785 9 HB3 CYS 2 1HB CYS 2 -1.824 1.138 -1.822 10 H CYS 3 H CYS 3 -5.767 -0.721 -1.257 11 HA CYS 3 HA CYS 3 -5.242 0.573 1.293 12 HB2 CYS 3 2HB CYS 3 -7.442 0.848 0.140 13 HB3 CYS 3 1HB CYS 3 -7.743 -0.870 0.402 14 H SER 4 H SER 4 -6.064 -2.694 0.082 15 HA SER 4 HA SER 4 -5.730 -3.838 2.697 16 HB2 SER 4 2HB SER 4 -7.315 -4.853 1.153 17 HB3 SER 4 1HB SER 4 -6.030 -5.155 -0.011 18 HG SER 4 HG SER 4 -6.662 -6.491 2.340 19 H ASN 5 H ASN 5 -4.119 -5.110 -0.194 20 HA ASN 5 HA ASN 5 -1.551 -4.155 0.416 21 HB2 ASN 5 2HB ASN 5 -1.646 -5.693 2.326 22 HB3 ASN 5 1HB ASN 5 -1.999 -7.034 1.237 23 HD21 ASN 5 2HD2 ASN 5 1.429 -7.675 1.336 24 HD22 ASN 5 1HD2 ASN 5 -0.158 -8.165 1.826 25 HA PRO 6 HA PRO 6 -1.509 -6.069 -3.689 26 HB2 PRO 6 2HB PRO 6 -1.153 -3.707 -5.053 27 HB3 PRO 6 1HB PRO 6 -2.713 -4.487 -4.813 28 HG2 PRO 6 2HG PRO 6 -1.705 -2.032 -3.651 29 HG3 PRO 6 1HG PRO 6 -3.344 -2.690 -3.618 30 HD2 PRO 6 2HD PRO 6 -1.324 -2.727 -1.542 31 HD3 PRO 6 1HD PRO 6 -3.024 -3.217 -1.446 32 H ALA 7 H ALA 7 0.205 -3.173 -2.573 33 HA ALA 7 HA ALA 7 2.655 -4.465 -2.143 34 HB1 ALA 7 1HB ALA 7 2.613 -2.759 -4.632 35 HB2 ALA 7 2HB ALA 7 2.764 -4.516 -4.597 36 HB3 ALA 7 3HB ALA 7 4.030 -3.507 -3.898 37 H CYS 8 H CYS 8 1.004 -1.459 -2.950 38 HA CYS 8 HA CYS 8 2.657 0.539 -2.218 39 HB2 CYS 8 2HB CYS 8 -0.279 0.186 -1.712 40 HB3 CYS 8 1HB CYS 8 0.544 1.685 -1.333 41 H ILE 9 H ILE 9 0.890 -1.471 0.071 42 HA ILE 9 HA ILE 9 1.096 0.007 2.395 43 HB ILE 9 HB ILE 9 1.599 -2.934 2.571 44 HG12 ILE 9 2HG1 ILE 9 0.046 -2.743 0.708 45 HG13 ILE 9 1HG1 ILE 9 -0.760 -3.418 2.121 46 HG21 ILE 9 1HG2 ILE 9 1.312 -1.661 4.610 47 HG22 ILE 9 2HG2 ILE 9 -0.049 -2.759 4.386 48 HG23 ILE 9 3HG2 ILE 9 -0.235 -1.041 4.033 49 HD11 ILE 9 3HD1 ILE 9 -2.199 -1.842 0.989 50 HD12 ILE 9 1HD1 ILE 9 -0.975 -0.583 1.136 51 HD13 ILE 9 2HD1 ILE 9 -1.754 -1.226 2.581 52 H LEU 10 H LEU 10 3.531 -1.877 0.764 53 HA LEU 10 HA LEU 10 5.349 -2.138 2.914 54 HB2 LEU 10 2HB LEU 10 5.346 -3.522 0.860 55 HB3 LEU 10 1HB LEU 10 5.926 -2.138 -0.045 56 HG LEU 10 HG LEU 10 7.977 -2.127 1.354 57 HD11 LEU 10 1HD1 LEU 10 8.474 -4.076 2.736 58 HD12 LEU 10 2HD1 LEU 10 6.858 -4.710 2.435 59 HD13 LEU 10 3HD1 LEU 10 7.063 -3.210 3.339 60 HD21 LEU 10 3HD2 LEU 10 7.939 -3.236 -0.821 61 HD22 LEU 10 1HD2 LEU 10 7.390 -4.727 -0.057 62 HD23 LEU 10 2HD2 LEU 10 8.991 -4.085 0.311 63 H ASN 11 H ASN 11 5.199 0.233 0.247 64 HA ASN 11 HA ASN 11 7.485 1.641 1.430 65 HB2 ASN 11 2HB ASN 11 6.136 1.915 -1.256 66 HB3 ASN 11 1HB ASN 11 7.445 2.956 -0.710 67 HD21 ASN 11 2HD2 ASN 11 8.567 -0.029 -2.760 68 HD22 ASN 11 1HD2 ASN 11 7.216 1.037 -2.939 69 H ASN 12 H ASN 12 4.138 1.819 1.291 70 HA ASN 12 HA ASN 12 2.570 3.336 1.903 71 HB2 ASN 12 2HB ASN 12 4.959 4.218 3.442 72 HB3 ASN 12 1HB ASN 12 3.595 5.324 3.364 73 HD21 ASN 12 2HD2 ASN 12 2.529 1.714 4.892 74 HD22 ASN 12 1HD2 ASN 12 3.255 1.844 3.331 75 HA PRO 13 HA PRO 13 3.979 6.571 -1.230 76 HB2 PRO 13 2HB PRO 13 3.083 5.579 -3.541 77 HB3 PRO 13 1HB PRO 13 4.642 5.082 -2.886 78 HG2 PRO 13 2HG PRO 13 2.020 3.658 -2.771 79 HG3 PRO 13 1HG PRO 13 3.625 3.009 -3.154 80 HD2 PRO 13 2HD PRO 13 2.457 2.812 -0.687 81 HD3 PRO 13 1HD PRO 13 4.212 2.832 -0.947 82 H ASN 14 H ASN 14 1.210 4.815 -0.393 83 HA ASN 14 HA ASN 14 -0.551 7.044 -0.861 84 HB2 ASN 14 2HB ASN 14 -0.652 5.971 -3.041 85 HB3 ASN 14 1HB ASN 14 -0.943 4.404 -2.295 86 HD21 ASN 14 2HD2 ASN 14 -4.300 4.961 -2.967 87 HD22 ASN 14 1HD2 ASN 14 -2.863 4.066 -3.330 88 H GLN 15 H GLN 15 -0.989 3.527 -0.485 89 HA GLN 15 HA GLN 15 -2.237 2.310 0.977 90 HB2 GLN 15 2HB GLN 15 -0.351 3.714 2.418 91 HB3 GLN 15 1HB GLN 15 -1.839 4.107 3.271 92 HG2 GLN 15 2HG GLN 15 -0.813 1.336 2.696 93 HG3 GLN 15 1HG GLN 15 -0.674 2.185 4.233 94 HE21 GLN 15 2HE2 GLN 15 -4.155 0.433 3.111 95 HE22 GLN 15 1HE2 GLN 15 -2.861 0.683 1.979 96 H CYS 16 H CYS 16 -3.961 2.891 3.048 97 HA CYS 16 HA CYS 16 -5.704 4.994 1.998 98 HB2 CYS 16 2HB CYS 16 -7.636 3.549 2.651 99 HB3 CYS 16 1HB CYS 16 -6.683 2.909 1.327 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -5.542 -2.477 -6.141 2 H2 GLY 1 2HT GLY 1 -7.147 -2.073 -6.487 3 H3 GLY 1 3HT GLY 1 -6.776 -2.937 -5.084 4 HA2 GLY 1 1HA GLY 1 -5.919 -0.161 -5.653 5 HA3 GLY 1 2HA GLY 1 -7.248 -0.611 -4.595 6 H CYS 2 H CYS 2 -5.186 0.921 -3.613 7 HA CYS 2 HA CYS 2 -3.301 -0.907 -2.354 8 HB2 CYS 2 2HB CYS 2 -3.375 2.110 -2.250 9 HB3 CYS 2 1HB CYS 2 -2.084 1.071 -1.643 10 H CYS 3 H CYS 3 -6.227 -0.571 -1.625 11 HA CYS 3 HA CYS 3 -5.821 -0.043 1.240 12 HB2 CYS 3 2HB CYS 3 -7.642 1.183 -0.135 13 HB3 CYS 3 1HB CYS 3 -8.498 -0.352 -0.117 14 H SER 4 H SER 4 -5.678 -2.475 -0.871 15 HA SER 4 HA SER 4 -6.793 -4.460 1.000 16 HB2 SER 4 2HB SER 4 -6.395 -4.760 -1.987 17 HB3 SER 4 1HB SER 4 -7.156 -5.928 -0.908 18 HG SER 4 HG SER 4 -8.933 -4.781 -0.890 19 H ASN 5 H ASN 5 -4.171 -3.163 0.919 20 HA ASN 5 HA ASN 5 -1.970 -3.511 0.986 21 HB2 ASN 5 2HB ASN 5 -2.289 -4.871 2.848 22 HB3 ASN 5 1HB ASN 5 -2.956 -6.196 1.891 23 HD21 ASN 5 2HD2 ASN 5 1.104 -5.648 2.102 24 HD22 ASN 5 1HD2 ASN 5 0.010 -4.373 2.503 25 HA PRO 6 HA PRO 6 -0.380 -5.357 -2.658 26 HB2 PRO 6 2HB PRO 6 -0.171 -3.163 -4.215 27 HB3 PRO 6 1HB PRO 6 -1.633 -4.147 -4.198 28 HG2 PRO 6 2HG PRO 6 -1.203 -1.457 -3.151 29 HG3 PRO 6 1HG PRO 6 -2.720 -2.308 -3.478 30 HD2 PRO 6 2HD PRO 6 -1.299 -1.986 -0.944 31 HD3 PRO 6 1HD PRO 6 -2.945 -2.583 -1.233 32 H ALA 7 H ALA 7 1.590 -3.554 -3.834 33 HA ALA 7 HA ALA 7 3.500 -3.510 -1.717 34 HB1 ALA 7 1HB ALA 7 5.040 -2.624 -3.347 35 HB2 ALA 7 2HB ALA 7 3.711 -2.284 -4.455 36 HB3 ALA 7 3HB ALA 7 4.111 -3.950 -4.041 37 H CYS 8 H CYS 8 1.081 -1.322 -2.602 38 HA CYS 8 HA CYS 8 2.228 1.163 -2.076 39 HB2 CYS 8 2HB CYS 8 -0.506 0.009 -1.903 40 HB3 CYS 8 1HB CYS 8 -0.216 1.572 -1.163 41 H ILE 9 H ILE 9 1.252 -1.369 0.092 42 HA ILE 9 HA ILE 9 1.326 0.323 2.428 43 HB ILE 9 HB ILE 9 1.601 -2.633 2.683 44 HG12 ILE 9 2HG1 ILE 9 -0.016 -2.466 0.882 45 HG13 ILE 9 1HG1 ILE 9 -0.829 -2.932 2.371 46 HG21 ILE 9 1HG2 ILE 9 0.035 -2.257 4.539 47 HG22 ILE 9 2HG2 ILE 9 -0.034 -0.548 4.117 48 HG23 ILE 9 3HG2 ILE 9 1.482 -1.261 4.669 49 HD11 ILE 9 3HD1 ILE 9 -1.630 -0.665 2.658 50 HD12 ILE 9 1HD1 ILE 9 -2.127 -1.323 1.100 51 HD13 ILE 9 2HD1 ILE 9 -0.793 -0.172 1.186 52 H LEU 10 H LEU 10 3.438 -1.905 0.763 53 HA LEU 10 HA LEU 10 5.376 -2.249 2.762 54 HB2 LEU 10 2HB LEU 10 5.103 -3.650 0.721 55 HB3 LEU 10 1HB LEU 10 5.769 -2.336 -0.228 56 HG LEU 10 HG LEU 10 7.897 -2.535 0.992 57 HD11 LEU 10 1HD1 LEU 10 8.263 -4.493 2.439 58 HD12 LEU 10 2HD1 LEU 10 6.542 -4.865 2.344 59 HD13 LEU 10 3HD1 LEU 10 7.081 -3.371 3.111 60 HD21 LEU 10 3HD2 LEU 10 6.909 -5.129 -0.189 61 HD22 LEU 10 1HD2 LEU 10 8.597 -4.664 0.021 62 HD23 LEU 10 2HD2 LEU 10 7.568 -3.765 -1.092 63 H ASN 11 H ASN 11 5.124 0.120 0.146 64 HA ASN 11 HA ASN 11 7.554 1.437 1.129 65 HB2 ASN 11 2HB ASN 11 5.983 1.867 -1.422 66 HB3 ASN 11 1HB ASN 11 7.452 2.738 -0.982 67 HD21 ASN 11 2HD2 ASN 11 7.614 -0.994 -2.516 68 HD22 ASN 11 1HD2 ASN 11 6.118 -0.217 -2.142 69 H ASN 12 H ASN 12 4.225 1.639 1.209 70 HA ASN 12 HA ASN 12 2.692 3.074 2.007 71 HB2 ASN 12 2HB ASN 12 5.075 4.269 3.417 72 HB3 ASN 12 1HB ASN 12 3.395 4.619 3.799 73 HD21 ASN 12 2HD2 ASN 12 2.834 1.609 5.509 74 HD22 ASN 12 1HD2 ASN 12 2.094 2.934 4.680 75 HA PRO 13 HA PRO 13 3.884 6.739 -0.754 76 HB2 PRO 13 2HB PRO 13 2.552 5.455 -3.002 77 HB3 PRO 13 1HB PRO 13 4.173 6.135 -2.923 78 HG2 PRO 13 2HG PRO 13 3.716 3.482 -3.153 79 HG3 PRO 13 1HG PRO 13 5.125 4.140 -2.299 80 HD2 PRO 13 2HD PRO 13 2.540 3.111 -1.181 81 HD3 PRO 13 1HD PRO 13 4.202 2.826 -0.618 82 H ASN 14 H ASN 14 1.118 4.626 -1.458 83 HA ASN 14 HA ASN 14 -0.690 6.908 -1.145 84 HB2 ASN 14 2HB ASN 14 -0.854 5.626 -3.243 85 HB3 ASN 14 1HB ASN 14 -1.187 4.162 -2.325 86 HD21 ASN 14 2HD2 ASN 14 -4.534 4.858 -2.992 87 HD22 ASN 14 1HD2 ASN 14 -3.158 3.875 -3.350 88 H GLN 15 H GLN 15 -0.849 3.416 -0.409 89 HA GLN 15 HA GLN 15 -1.832 2.245 1.250 90 HB2 GLN 15 2HB GLN 15 -0.099 4.026 2.434 91 HB3 GLN 15 1HB GLN 15 -1.592 4.306 3.326 92 HG2 GLN 15 2HG GLN 15 -0.330 1.602 2.922 93 HG3 GLN 15 1HG GLN 15 -0.064 2.618 4.335 94 HE21 GLN 15 2HE2 GLN 15 -3.545 0.573 3.842 95 HE22 GLN 15 1HE2 GLN 15 -2.447 0.816 2.525 96 H CYS 16 H CYS 16 -3.391 3.138 3.482 97 HA CYS 16 HA CYS 16 -5.623 4.606 2.456 98 HB2 CYS 16 2HB CYS 16 -5.843 2.512 1.186 99 HB3 CYS 16 1HB CYS 16 -5.798 1.590 2.681 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -6.775 0.566 -7.092 2 H2 GLY 1 2HT GLY 1 -5.351 -0.347 -7.065 3 H3 GLY 1 3HT GLY 1 -5.341 1.250 -6.517 4 HA2 GLY 1 1HA GLY 1 -6.768 0.689 -4.680 5 HA3 GLY 1 2HA GLY 1 -6.851 -0.968 -5.261 6 H CYS 2 H CYS 2 -5.476 0.904 -2.998 7 HA CYS 2 HA CYS 2 -3.287 -0.988 -2.603 8 HB2 CYS 2 2HB CYS 2 -2.972 2.003 -2.807 9 HB3 CYS 2 1HB CYS 2 -1.819 1.002 -1.935 10 H CYS 3 H CYS 3 -5.830 -0.676 -1.322 11 HA CYS 3 HA CYS 3 -5.226 0.626 1.211 12 HB2 CYS 3 2HB CYS 3 -7.426 0.988 0.110 13 HB3 CYS 3 1HB CYS 3 -7.785 -0.721 0.338 14 H SER 4 H SER 4 -5.919 -2.616 -0.051 15 HA SER 4 HA SER 4 -5.815 -3.771 2.587 16 HB2 SER 4 2HB SER 4 -7.285 -4.716 0.833 17 HB3 SER 4 1HB SER 4 -5.860 -5.154 -0.107 18 HG SER 4 HG SER 4 -6.504 -6.100 2.496 19 H ASN 5 H ASN 5 -4.012 -5.085 -0.171 20 HA ASN 5 HA ASN 5 -1.479 -4.147 0.587 21 HB2 ASN 5 2HB ASN 5 -1.682 -5.566 2.544 22 HB3 ASN 5 1HB ASN 5 -2.089 -6.956 1.540 23 HD21 ASN 5 2HD2 ASN 5 1.768 -5.855 2.129 24 HD22 ASN 5 1HD2 ASN 5 0.439 -4.921 2.736 25 HA PRO 6 HA PRO 6 -1.041 -6.200 -3.401 26 HB2 PRO 6 2HB PRO 6 -0.601 -3.903 -4.840 27 HB3 PRO 6 1HB PRO 6 -2.173 -4.682 -4.672 28 HG2 PRO 6 2HG PRO 6 -1.268 -2.161 -3.568 29 HG3 PRO 6 1HG PRO 6 -2.899 -2.841 -3.598 30 HD2 PRO 6 2HD PRO 6 -0.972 -2.781 -1.418 31 HD3 PRO 6 1HD PRO 6 -2.690 -3.214 -1.381 32 H ALA 7 H ALA 7 0.679 -3.126 -3.493 33 HA ALA 7 HA ALA 7 3.029 -4.286 -2.211 34 HB1 ALA 7 1HB ALA 7 3.311 -4.740 -4.600 35 HB2 ALA 7 2HB ALA 7 4.521 -3.613 -3.995 36 HB3 ALA 7 3HB ALA 7 3.157 -3.018 -4.941 37 H CYS 8 H CYS 8 0.924 -1.759 -2.668 38 HA CYS 8 HA CYS 8 2.594 0.491 -2.391 39 HB2 CYS 8 2HB CYS 8 -0.315 -0.033 -1.922 40 HB3 CYS 8 1HB CYS 8 0.391 1.516 -1.492 41 H ILE 9 H ILE 9 0.917 -1.516 -0.005 42 HA ILE 9 HA ILE 9 1.135 0.169 2.200 43 HB ILE 9 HB ILE 9 1.521 -2.778 2.596 44 HG12 ILE 9 2HG1 ILE 9 -0.136 -2.638 0.797 45 HG13 ILE 9 1HG1 ILE 9 -0.884 -3.164 2.300 46 HG21 ILE 9 1HG2 ILE 9 -0.067 -2.342 4.449 47 HG22 ILE 9 2HG2 ILE 9 -0.086 -0.642 3.985 48 HG23 ILE 9 3HG2 ILE 9 1.411 -1.387 4.549 49 HD11 ILE 9 3HD1 ILE 9 -1.746 -0.911 2.654 50 HD12 ILE 9 1HD1 ILE 9 -2.296 -1.593 1.123 51 HD13 ILE 9 2HD1 ILE 9 -1.003 -0.393 1.141 52 H LEU 10 H LEU 10 3.339 -2.422 1.149 53 HA LEU 10 HA LEU 10 5.343 -1.662 3.090 54 HB2 LEU 10 2HB LEU 10 4.796 -4.008 1.947 55 HB3 LEU 10 1HB LEU 10 5.967 -3.438 0.775 56 HG LEU 10 HG LEU 10 6.509 -3.737 3.734 57 HD11 LEU 10 1HD1 LEU 10 7.835 -5.687 3.090 58 HD12 LEU 10 2HD1 LEU 10 7.287 -5.505 1.423 59 HD13 LEU 10 3HD1 LEU 10 6.129 -5.897 2.694 60 HD21 LEU 10 3HD2 LEU 10 8.381 -3.210 1.429 61 HD22 LEU 10 1HD2 LEU 10 8.849 -3.456 3.111 62 HD23 LEU 10 2HD2 LEU 10 7.903 -2.038 2.657 63 H ASN 11 H ASN 11 5.253 0.579 2.263 64 HA ASN 11 HA ASN 11 7.474 1.470 0.944 65 HB2 ASN 11 2HB ASN 11 6.570 0.289 -1.076 66 HB3 ASN 11 1HB ASN 11 5.152 1.329 -1.006 67 HD21 ASN 11 2HD2 ASN 11 6.852 3.290 -3.336 68 HD22 ASN 11 1HD2 ASN 11 5.575 2.157 -3.052 69 H ASN 12 H ASN 12 4.016 1.860 1.332 70 HA ASN 12 HA ASN 12 2.687 3.593 1.947 71 HB2 ASN 12 2HB ASN 12 5.264 4.235 3.311 72 HB3 ASN 12 1HB ASN 12 3.999 5.454 3.305 73 HD21 ASN 12 2HD2 ASN 12 2.746 1.982 5.027 74 HD22 ASN 12 1HD2 ASN 12 3.343 1.996 3.406 75 HA PRO 13 HA PRO 13 3.967 6.643 -1.255 76 HB2 PRO 13 2HB PRO 13 3.165 5.553 -3.538 77 HB3 PRO 13 1HB PRO 13 4.684 5.048 -2.794 78 HG2 PRO 13 2HG PRO 13 2.091 3.624 -2.934 79 HG3 PRO 13 1HG PRO 13 3.733 2.967 -2.860 80 HD2 PRO 13 2HD PRO 13 1.887 3.316 -0.705 81 HD3 PRO 13 1HD PRO 13 3.556 2.722 -0.619 82 H ASN 14 H ASN 14 1.218 5.177 -0.117 83 HA ASN 14 HA ASN 14 -0.609 7.203 -0.880 84 HB2 ASN 14 2HB ASN 14 -0.579 6.147 -3.052 85 HB3 ASN 14 1HB ASN 14 -0.770 4.553 -2.335 86 HD21 ASN 14 2HD2 ASN 14 -4.130 4.825 -3.159 87 HD22 ASN 14 1HD2 ASN 14 -2.608 4.055 -3.447 88 H GLN 15 H GLN 15 -0.968 3.671 -0.494 89 HA GLN 15 HA GLN 15 -2.302 2.436 0.864 90 HB2 GLN 15 2HB GLN 15 -0.513 3.840 2.428 91 HB3 GLN 15 1HB GLN 15 -2.052 4.190 3.209 92 HG2 GLN 15 2HG GLN 15 -1.001 1.436 2.597 93 HG3 GLN 15 1HG GLN 15 -0.866 2.247 4.155 94 HE21 GLN 15 2HE2 GLN 15 -4.374 0.605 2.942 95 HE22 GLN 15 1HE2 GLN 15 -3.070 0.874 1.827 96 H CYS 16 H CYS 16 -4.067 3.249 3.009 97 HA CYS 16 HA CYS 16 -5.837 5.119 1.613 98 HB2 CYS 16 2HB CYS 16 -7.753 3.680 2.380 99 HB3 CYS 16 1HB CYS 16 -6.753 2.983 1.119 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -6.600 2.665 -5.232 2 H2 GLY 1 2HT GLY 1 -6.982 1.739 -6.595 3 H3 GLY 1 3HT GLY 1 -5.367 2.083 -6.233 4 HA2 GLY 1 1HA GLY 1 -7.187 0.416 -4.591 5 HA3 GLY 1 2HA GLY 1 -5.907 -0.191 -5.634 6 H CYS 2 H CYS 2 -4.867 -1.179 -3.897 7 HA CYS 2 HA CYS 2 -3.233 -1.352 -2.358 8 HB2 CYS 2 2HB CYS 2 -2.809 1.522 -3.136 9 HB3 CYS 2 1HB CYS 2 -1.733 0.645 -2.053 10 H CYS 3 H CYS 3 -5.908 -0.738 -1.485 11 HA CYS 3 HA CYS 3 -5.497 0.871 0.887 12 HB2 CYS 3 2HB CYS 3 -7.654 0.979 -0.316 13 HB3 CYS 3 1HB CYS 3 -7.919 -0.725 0.030 14 H SER 4 H SER 4 -5.881 -2.536 -0.006 15 HA SER 4 HA SER 4 -5.699 -3.313 2.791 16 HB2 SER 4 2HB SER 4 -7.319 -4.510 1.401 17 HB3 SER 4 1HB SER 4 -6.032 -5.021 0.314 18 HG SER 4 HG SER 4 -6.766 -6.530 2.055 19 H ASN 5 H ASN 5 -4.139 -5.028 0.098 20 HA ASN 5 HA ASN 5 -1.512 -4.169 0.710 21 HB2 ASN 5 2HB ASN 5 -1.871 -5.531 2.734 22 HB3 ASN 5 1HB ASN 5 -2.214 -6.931 1.722 23 HD21 ASN 5 2HD2 ASN 5 1.597 -5.702 2.391 24 HD22 ASN 5 1HD2 ASN 5 0.226 -4.773 2.903 25 HA PRO 6 HA PRO 6 -1.215 -6.449 -3.159 26 HB2 PRO 6 2HB PRO 6 -0.705 -4.285 -4.746 27 HB3 PRO 6 1HB PRO 6 -2.327 -4.915 -4.452 28 HG2 PRO 6 2HG PRO 6 -1.149 -2.425 -3.541 29 HG3 PRO 6 1HG PRO 6 -2.834 -2.955 -3.470 30 HD2 PRO 6 2HD PRO 6 -0.802 -2.976 -1.373 31 HD3 PRO 6 1HD PRO 6 -2.555 -3.214 -1.239 32 H ALA 7 H ALA 7 0.626 -3.434 -3.262 33 HA ALA 7 HA ALA 7 2.961 -4.690 -2.083 34 HB1 ALA 7 1HB ALA 7 3.069 -3.502 -4.849 35 HB2 ALA 7 2HB ALA 7 3.165 -5.218 -4.459 36 HB3 ALA 7 3HB ALA 7 4.434 -4.120 -3.922 37 H CYS 8 H CYS 8 1.096 -1.956 -2.940 38 HA CYS 8 HA CYS 8 2.820 0.173 -2.604 39 HB2 CYS 8 2HB CYS 8 -0.090 -0.117 -1.883 40 HB3 CYS 8 1HB CYS 8 0.767 1.413 -1.852 41 H ILE 9 H ILE 9 0.960 -1.526 -0.102 42 HA ILE 9 HA ILE 9 1.415 0.214 2.028 43 HB ILE 9 HB ILE 9 1.375 -2.706 2.629 44 HG12 ILE 9 2HG1 ILE 9 -0.098 -2.559 0.688 45 HG13 ILE 9 1HG1 ILE 9 -1.024 -2.863 2.153 46 HG21 ILE 9 1HG2 ILE 9 -0.254 -1.968 4.316 47 HG22 ILE 9 2HG2 ILE 9 -0.129 -0.322 3.696 48 HG23 ILE 9 3HG2 ILE 9 1.274 -1.098 4.431 49 HD11 ILE 9 3HD1 ILE 9 -1.679 -0.519 2.228 50 HD12 ILE 9 1HD1 ILE 9 -2.141 -1.270 0.701 51 HD13 ILE 9 2HD1 ILE 9 -0.736 -0.207 0.771 52 H LEU 10 H LEU 10 3.456 -2.277 0.679 53 HA LEU 10 HA LEU 10 5.337 -2.592 2.714 54 HB2 LEU 10 2HB LEU 10 5.137 -3.880 0.545 55 HB3 LEU 10 1HB LEU 10 5.925 -2.538 -0.249 56 HG LEU 10 HG LEU 10 7.370 -4.545 0.284 57 HD11 LEU 10 1HD1 LEU 10 8.348 -2.392 -0.274 58 HD12 LEU 10 2HD1 LEU 10 9.302 -3.218 0.958 59 HD13 LEU 10 3HD1 LEU 10 8.235 -1.890 1.413 60 HD21 LEU 10 3HD2 LEU 10 6.479 -5.008 2.509 61 HD22 LEU 10 1HD2 LEU 10 7.137 -3.481 3.093 62 HD23 LEU 10 2HD2 LEU 10 8.224 -4.759 2.549 63 H ASN 11 H ASN 11 5.162 -0.183 0.139 64 HA ASN 11 HA ASN 11 7.503 1.220 1.179 65 HB2 ASN 11 2HB ASN 11 7.425 0.891 -1.212 66 HB3 ASN 11 1HB ASN 11 5.821 1.600 -1.304 67 HD21 ASN 11 2HD2 ASN 11 7.432 4.474 -2.371 68 HD22 ASN 11 1HD2 ASN 11 6.424 3.125 -2.768 69 H ASN 12 H ASN 12 4.084 1.435 0.988 70 HA ASN 12 HA ASN 12 2.511 2.732 1.944 71 HB2 ASN 12 2HB ASN 12 4.793 3.980 3.484 72 HB3 ASN 12 1HB ASN 12 3.085 4.215 3.827 73 HD21 ASN 12 2HD2 ASN 12 2.669 1.156 5.465 74 HD22 ASN 12 1HD2 ASN 12 1.888 2.487 4.690 75 HA PRO 13 HA PRO 13 3.513 6.510 -0.608 76 HB2 PRO 13 2HB PRO 13 2.426 5.378 -3.009 77 HB3 PRO 13 1HB PRO 13 4.072 5.928 -2.719 78 HG2 PRO 13 2HG PRO 13 3.375 3.302 -3.137 79 HG3 PRO 13 1HG PRO 13 4.829 3.823 -2.271 80 HD2 PRO 13 2HD PRO 13 2.195 2.915 -1.173 81 HD3 PRO 13 1HD PRO 13 3.840 2.535 -0.616 82 H ASN 14 H ASN 14 0.947 4.388 -1.848 83 HA ASN 14 HA ASN 14 -1.031 6.341 -0.896 84 HB2 ASN 14 2HB ASN 14 -1.022 6.072 -3.346 85 HB3 ASN 14 1HB ASN 14 -1.289 4.344 -3.156 86 HD21 ASN 14 2HD2 ASN 14 -4.720 4.599 -2.564 87 HD22 ASN 14 1HD2 ASN 14 -3.307 3.596 -2.537 88 H GLN 15 H GLN 15 -0.773 5.225 1.180 89 HA GLN 15 HA GLN 15 -2.354 2.814 1.361 90 HB2 GLN 15 2HB GLN 15 -0.245 3.802 2.871 91 HB3 GLN 15 1HB GLN 15 -1.652 4.116 3.888 92 HG2 GLN 15 2HG GLN 15 -0.746 1.483 2.761 93 HG3 GLN 15 1HG GLN 15 -0.729 1.988 4.450 94 HE21 GLN 15 2HE2 GLN 15 -4.166 0.756 2.658 95 HE22 GLN 15 1HE2 GLN 15 -2.805 1.314 1.724 96 H CYS 16 H CYS 16 -4.402 2.779 2.317 97 HA CYS 16 HA CYS 16 -5.862 5.202 1.790 98 HB2 CYS 16 2HB CYS 16 -7.863 3.770 2.145 99 HB3 CYS 16 1HB CYS 16 -6.749 3.116 0.958 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -8.037 -0.482 -6.139 2 H2 GLY 1 2HT GLY 1 -7.741 -0.365 -4.477 3 H3 GLY 1 3HT GLY 1 -7.490 -1.829 -5.279 4 HA2 GLY 1 1HA GLY 1 -5.711 -0.852 -6.576 5 HA3 GLY 1 2HA GLY 1 -5.964 0.667 -5.729 6 H CYS 2 H CYS 2 -5.093 0.963 -3.746 7 HA CYS 2 HA CYS 2 -3.569 -1.296 -2.623 8 HB2 CYS 2 2HB CYS 2 -2.698 1.587 -2.900 9 HB3 CYS 2 1HB CYS 2 -1.819 0.360 -1.996 10 H CYS 3 H CYS 3 -5.989 -1.021 -1.671 11 HA CYS 3 HA CYS 3 -5.792 0.637 0.752 12 HB2 CYS 3 2HB CYS 3 -7.674 1.025 -0.945 13 HB3 CYS 3 1HB CYS 3 -8.328 -0.515 -0.408 14 H SER 4 H SER 4 -5.546 -2.511 -0.319 15 HA SER 4 HA SER 4 -6.030 -3.462 2.423 16 HB2 SER 4 2HB SER 4 -7.436 -4.621 0.742 17 HB3 SER 4 1HB SER 4 -5.980 -5.125 -0.114 18 HG SER 4 HG SER 4 -6.031 -6.785 1.168 19 H ASN 5 H ASN 5 -4.175 -5.162 -0.042 20 HA ASN 5 HA ASN 5 -1.700 -3.940 0.468 21 HB2 ASN 5 2HB ASN 5 -1.935 -5.161 2.653 22 HB3 ASN 5 1HB ASN 5 -1.914 -6.671 1.748 23 HD21 ASN 5 2HD2 ASN 5 1.516 -5.718 2.976 24 HD22 ASN 5 1HD2 ASN 5 -0.034 -5.798 3.747 25 HA PRO 6 HA PRO 6 -1.142 -6.597 -3.123 26 HB2 PRO 6 2HB PRO 6 -0.427 -4.508 -4.778 27 HB3 PRO 6 1HB PRO 6 -2.040 -5.210 -4.689 28 HG2 PRO 6 2HG PRO 6 -1.155 -2.602 -3.812 29 HG3 PRO 6 1HG PRO 6 -2.799 -3.244 -3.905 30 HD2 PRO 6 2HD PRO 6 -1.079 -2.937 -1.583 31 HD3 PRO 6 1HD PRO 6 -2.800 -3.347 -1.652 32 H ALA 7 H ALA 7 0.703 -3.565 -3.071 33 HA ALA 7 HA ALA 7 2.846 -4.744 -1.548 34 HB1 ALA 7 1HB ALA 7 3.394 -3.803 -4.358 35 HB2 ALA 7 2HB ALA 7 3.392 -5.482 -3.820 36 HB3 ALA 7 3HB ALA 7 4.589 -4.354 -3.185 37 H CYS 8 H CYS 8 1.154 -2.084 -2.885 38 HA CYS 8 HA CYS 8 2.731 0.115 -2.584 39 HB2 CYS 8 2HB CYS 8 -0.161 -0.336 -1.957 40 HB3 CYS 8 1HB CYS 8 0.565 1.251 -1.776 41 H ILE 9 H ILE 9 1.027 -1.603 -0.024 42 HA ILE 9 HA ILE 9 1.214 0.231 2.038 43 HB ILE 9 HB ILE 9 1.574 -2.700 2.576 44 HG12 ILE 9 2HG1 ILE 9 -0.067 -2.574 0.799 45 HG13 ILE 9 1HG1 ILE 9 -0.857 -2.997 2.314 46 HG21 ILE 9 1HG2 ILE 9 1.520 -1.199 4.483 47 HG22 ILE 9 2HG2 ILE 9 0.078 -2.211 4.456 48 HG23 ILE 9 3HG2 ILE 9 -0.016 -0.530 3.934 49 HD11 ILE 9 3HD1 ILE 9 -0.845 -0.282 1.011 50 HD12 ILE 9 1HD1 ILE 9 -1.610 -0.673 2.551 51 HD13 ILE 9 2HD1 ILE 9 -2.195 -1.416 1.063 52 H LEU 10 H LEU 10 3.531 -2.182 0.979 53 HA LEU 10 HA LEU 10 5.368 -1.899 3.095 54 HB2 LEU 10 2HB LEU 10 5.222 -3.731 1.329 55 HB3 LEU 10 1HB LEU 10 6.068 -2.635 0.258 56 HG LEU 10 HG LEU 10 7.463 -4.417 1.403 57 HD11 LEU 10 1HD1 LEU 10 9.348 -2.908 1.834 58 HD12 LEU 10 2HD1 LEU 10 8.244 -1.535 1.768 59 HD13 LEU 10 3HD1 LEU 10 8.507 -2.526 0.333 60 HD21 LEU 10 3HD2 LEU 10 8.162 -4.024 3.681 61 HD22 LEU 10 1HD2 LEU 10 6.413 -4.225 3.617 62 HD23 LEU 10 2HD2 LEU 10 7.110 -2.615 3.792 63 H ASN 11 H ASN 11 5.120 -0.255 -0.035 64 HA ASN 11 HA ASN 11 7.490 1.313 0.367 65 HB2 ASN 11 2HB ASN 11 6.731 0.763 -1.892 66 HB3 ASN 11 1HB ASN 11 5.227 1.633 -1.619 67 HD21 ASN 11 2HD2 ASN 11 6.747 4.292 -3.269 68 HD22 ASN 11 1HD2 ASN 11 5.547 3.045 -3.304 69 H ASN 12 H ASN 12 4.098 1.692 0.966 70 HA ASN 12 HA ASN 12 2.861 3.170 2.157 71 HB2 ASN 12 2HB ASN 12 5.473 3.396 3.317 72 HB3 ASN 12 1HB ASN 12 4.717 4.981 3.283 73 HD21 ASN 12 2HD2 ASN 12 2.563 2.125 5.256 74 HD22 ASN 12 1HD2 ASN 12 3.198 1.807 3.678 75 HA PRO 13 HA PRO 13 3.862 6.623 -0.850 76 HB2 PRO 13 2HB PRO 13 2.505 5.948 -3.071 77 HB3 PRO 13 1HB PRO 13 4.134 5.343 -2.753 78 HG2 PRO 13 2HG PRO 13 1.518 3.956 -2.512 79 HG3 PRO 13 1HG PRO 13 3.100 3.303 -2.959 80 HD2 PRO 13 2HD PRO 13 1.880 3.135 -0.435 81 HD3 PRO 13 1HD PRO 13 3.575 2.774 -0.808 82 H ASN 14 H ASN 14 0.744 4.909 -0.987 83 HA ASN 14 HA ASN 14 -0.596 7.433 -0.302 84 HB2 ASN 14 2HB ASN 14 -2.594 6.561 -1.467 85 HB3 ASN 14 1HB ASN 14 -1.217 6.713 -2.546 86 HD21 ASN 14 2HD2 ASN 14 -3.077 3.456 -2.946 87 HD22 ASN 14 1HD2 ASN 14 -3.627 5.085 -2.755 88 H GLN 15 H GLN 15 -1.045 3.903 -0.076 89 HA GLN 15 HA GLN 15 -1.906 2.560 1.501 90 HB2 GLN 15 2HB GLN 15 0.046 3.885 2.727 91 HB3 GLN 15 1HB GLN 15 -1.298 4.500 3.680 92 HG2 GLN 15 2HG GLN 15 -0.510 1.619 3.314 93 HG3 GLN 15 1HG GLN 15 -0.341 2.589 4.775 94 HE21 GLN 15 2HE2 GLN 15 -3.926 0.967 3.731 95 HE22 GLN 15 1HE2 GLN 15 -2.598 1.033 2.620 96 H CYS 16 H CYS 16 -4.020 2.910 0.682 97 HA CYS 16 HA CYS 16 -5.797 4.805 1.847 98 HB2 CYS 16 2HB CYS 16 -6.406 4.003 -0.289 99 HB3 CYS 16 1HB CYS 16 -6.184 2.327 0.179 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -7.625 -2.975 -3.196 2 H2 GLY 1 2HT GLY 1 -6.600 -3.793 -4.259 3 H3 GLY 1 3HT GLY 1 -7.974 -3.006 -4.848 4 HA2 GLY 1 1HA GLY 1 -5.987 -1.728 -5.329 5 HA3 GLY 1 2HA GLY 1 -7.074 -0.866 -4.249 6 H CYS 2 H CYS 2 -5.106 0.364 -3.700 7 HA CYS 2 HA CYS 2 -3.110 -1.093 -2.165 8 HB2 CYS 2 2HB CYS 2 -3.265 1.782 -3.060 9 HB3 CYS 2 1HB CYS 2 -2.007 1.170 -1.988 10 H CYS 3 H CYS 3 -5.999 -0.416 -1.261 11 HA CYS 3 HA CYS 3 -5.358 0.929 1.225 12 HB2 CYS 3 2HB CYS 3 -7.578 1.244 0.090 13 HB3 CYS 3 1HB CYS 3 -7.949 -0.435 0.468 14 H SER 4 H SER 4 -6.023 -2.314 0.022 15 HA SER 4 HA SER 4 -5.859 -3.472 2.653 16 HB2 SER 4 2HB SER 4 -7.312 -4.498 0.965 17 HB3 SER 4 1HB SER 4 -5.915 -4.810 -0.062 18 HG SER 4 HG SER 4 -6.301 -5.857 2.555 19 H ASN 5 H ASN 5 -4.065 -4.862 -0.049 20 HA ASN 5 HA ASN 5 -1.523 -3.886 0.687 21 HB2 ASN 5 2HB ASN 5 -1.804 -5.244 2.683 22 HB3 ASN 5 1HB ASN 5 -2.173 -6.663 1.703 23 HD21 ASN 5 2HD2 ASN 5 1.654 -5.467 2.305 24 HD22 ASN 5 1HD2 ASN 5 0.304 -4.514 2.822 25 HA PRO 6 HA PRO 6 -0.966 -6.091 -3.202 26 HB2 PRO 6 2HB PRO 6 -0.558 -3.884 -4.757 27 HB3 PRO 6 1HB PRO 6 -2.136 -4.637 -4.528 28 HG2 PRO 6 2HG PRO 6 -1.175 -2.075 -3.551 29 HG3 PRO 6 1HG PRO 6 -2.824 -2.715 -3.570 30 HD2 PRO 6 2HD PRO 6 -0.920 -2.608 -1.366 31 HD3 PRO 6 1HD PRO 6 -2.648 -3.006 -1.333 32 H ALA 7 H ALA 7 0.678 -2.985 -3.412 33 HA ALA 7 HA ALA 7 3.040 -4.055 -2.078 34 HB1 ALA 7 1HB ALA 7 3.367 -4.561 -4.444 35 HB2 ALA 7 2HB ALA 7 4.533 -3.374 -3.863 36 HB3 ALA 7 3HB ALA 7 3.158 -2.854 -4.838 37 H CYS 8 H CYS 8 0.929 -1.495 -2.769 38 HA CYS 8 HA CYS 8 2.527 0.746 -2.405 39 HB2 CYS 8 2HB CYS 8 -0.363 0.214 -1.767 40 HB3 CYS 8 1HB CYS 8 0.374 1.790 -1.536 41 H ILE 9 H ILE 9 0.856 -1.236 0.013 42 HA ILE 9 HA ILE 9 1.305 0.421 2.228 43 HB ILE 9 HB ILE 9 1.403 -2.510 2.705 44 HG12 ILE 9 2HG1 ILE 9 -0.122 -2.372 0.788 45 HG13 ILE 9 1HG1 ILE 9 -0.978 -2.811 2.261 46 HG21 ILE 9 1HG2 ILE 9 1.246 -0.937 4.548 47 HG22 ILE 9 2HG2 ILE 9 -0.210 -1.927 4.454 48 HG23 ILE 9 3HG2 ILE 9 -0.235 -0.264 3.869 49 HD11 ILE 9 3HD1 ILE 9 -2.260 -1.242 0.947 50 HD12 ILE 9 1HD1 ILE 9 -0.928 -0.089 0.989 51 HD13 ILE 9 2HD1 ILE 9 -1.772 -0.515 2.479 52 H LEU 10 H LEU 10 3.352 -1.873 0.612 53 HA LEU 10 HA LEU 10 5.236 -2.332 2.653 54 HB2 LEU 10 2HB LEU 10 4.959 -3.709 0.613 55 HB3 LEU 10 1HB LEU 10 5.636 -2.404 -0.337 56 HG LEU 10 HG LEU 10 7.769 -2.639 0.887 57 HD11 LEU 10 1HD1 LEU 10 6.416 -5.016 2.155 58 HD12 LEU 10 2HD1 LEU 10 6.923 -3.541 2.978 59 HD13 LEU 10 3HD1 LEU 10 8.130 -4.622 2.283 60 HD21 LEU 10 3HD2 LEU 10 8.443 -4.745 -0.148 61 HD22 LEU 10 1HD2 LEU 10 7.429 -3.794 -1.233 62 HD23 LEU 10 2HD2 LEU 10 6.750 -5.179 -0.378 63 H ASN 11 H ASN 11 4.914 0.247 0.300 64 HA ASN 11 HA ASN 11 7.454 1.395 1.262 65 HB2 ASN 11 2HB ASN 11 5.972 1.988 -1.308 66 HB3 ASN 11 1HB ASN 11 7.507 2.695 -0.822 67 HD21 ASN 11 2HD2 ASN 11 7.332 -1.005 -2.449 68 HD22 ASN 11 1HD2 ASN 11 5.904 -0.118 -2.040 69 H ASN 12 H ASN 12 4.126 1.702 1.206 70 HA ASN 12 HA ASN 12 2.612 3.130 2.041 71 HB2 ASN 12 2HB ASN 12 4.965 4.252 3.567 72 HB3 ASN 12 1HB ASN 12 3.270 4.551 3.937 73 HD21 ASN 12 2HD2 ASN 12 2.727 1.424 5.453 74 HD22 ASN 12 1HD2 ASN 12 1.984 2.788 4.688 75 HA PRO 13 HA PRO 13 3.932 6.858 -0.533 76 HB2 PRO 13 2HB PRO 13 2.758 5.728 -2.922 77 HB3 PRO 13 1HB PRO 13 4.407 6.273 -2.669 78 HG2 PRO 13 2HG PRO 13 3.742 3.664 -3.052 79 HG3 PRO 13 1HG PRO 13 5.155 4.180 -2.112 80 HD2 PRO 13 2HD PRO 13 2.446 3.330 -1.146 81 HD3 PRO 13 1HD PRO 13 4.052 2.893 -0.519 82 H ASN 14 H ASN 14 1.246 4.912 -1.768 83 HA ASN 14 HA ASN 14 -0.571 7.148 -1.463 84 HB2 ASN 14 2HB ASN 14 -0.676 5.888 -3.537 85 HB3 ASN 14 1HB ASN 14 -0.942 4.390 -2.654 86 HD21 ASN 14 2HD2 ASN 14 -4.309 4.877 -3.402 87 HD22 ASN 14 1HD2 ASN 14 -2.861 3.983 -3.726 88 H GLN 15 H GLN 15 -1.030 3.687 -0.768 89 HA GLN 15 HA GLN 15 -2.341 2.626 0.754 90 HB2 GLN 15 2HB GLN 15 -0.357 4.028 2.095 91 HB3 GLN 15 1HB GLN 15 -1.820 4.445 2.982 92 HG2 GLN 15 2HG GLN 15 -0.941 1.635 2.367 93 HG3 GLN 15 1HG GLN 15 -0.589 2.482 3.870 94 HE21 GLN 15 2HE2 GLN 15 -4.290 0.975 3.133 95 HE22 GLN 15 1HE2 GLN 15 -3.114 1.145 1.864 96 H CYS 16 H CYS 16 -3.965 3.400 2.853 97 HA CYS 16 HA CYS 16 -5.673 5.470 1.680 98 HB2 CYS 16 2HB CYS 16 -7.635 4.103 2.414 99 HB3 CYS 16 1HB CYS 16 -6.698 3.379 1.120 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -4.340 1.411 -6.689 2 H2 GLY 1 2HT GLY 1 -5.717 0.865 -7.504 3 H3 GLY 1 3HT GLY 1 -4.480 -0.220 -7.113 4 HA2 GLY 1 1HA GLY 1 -6.178 1.215 -5.155 5 HA3 GLY 1 2HA GLY 1 -6.369 -0.469 -5.623 6 H CYS 2 H CYS 2 -5.450 1.178 -3.098 7 HA CYS 2 HA CYS 2 -3.366 -0.765 -2.419 8 HB2 CYS 2 2HB CYS 2 -3.155 2.124 -1.586 9 HB3 CYS 2 1HB CYS 2 -1.950 0.852 -1.411 10 H CYS 3 H CYS 3 -6.141 -0.789 -1.767 11 HA CYS 3 HA CYS 3 -6.028 -0.220 1.126 12 HB2 CYS 3 2HB CYS 3 -7.672 1.111 -0.358 13 HB3 CYS 3 1HB CYS 3 -8.589 -0.387 -0.454 14 H SER 4 H SER 4 -5.741 -2.657 -0.948 15 HA SER 4 HA SER 4 -6.906 -4.568 0.960 16 HB2 SER 4 2HB SER 4 -8.215 -4.469 -1.182 17 HB3 SER 4 1HB SER 4 -6.761 -4.975 -2.039 18 HG SER 4 HG SER 4 -7.197 -6.642 0.008 19 H ASN 5 H ASN 5 -4.318 -3.375 0.802 20 HA ASN 5 HA ASN 5 -2.126 -3.813 0.918 21 HB2 ASN 5 2HB ASN 5 -2.658 -5.332 2.658 22 HB3 ASN 5 1HB ASN 5 -3.165 -6.577 1.516 23 HD21 ASN 5 2HD2 ASN 5 0.792 -5.990 2.336 24 HD22 ASN 5 1HD2 ASN 5 -0.417 -4.869 2.861 25 HA PRO 6 HA PRO 6 -0.612 -5.477 -2.883 26 HB2 PRO 6 2HB PRO 6 -0.133 -3.145 -4.179 27 HB3 PRO 6 1HB PRO 6 -1.664 -4.005 -4.340 28 HG2 PRO 6 2HG PRO 6 -1.088 -1.488 -2.979 29 HG3 PRO 6 1HG PRO 6 -2.645 -2.168 -3.470 30 HD2 PRO 6 2HD PRO 6 -1.373 -2.211 -0.853 31 HD3 PRO 6 1HD PRO 6 -3.025 -2.685 -1.295 32 H ALA 7 H ALA 7 1.566 -3.739 -3.789 33 HA ALA 7 HA ALA 7 3.277 -3.925 -1.476 34 HB1 ALA 7 1HB ALA 7 4.101 -4.528 -3.685 35 HB2 ALA 7 2HB ALA 7 5.064 -3.243 -2.955 36 HB3 ALA 7 3HB ALA 7 3.894 -2.861 -4.221 37 H CYS 8 H CYS 8 1.091 -1.663 -2.456 38 HA CYS 8 HA CYS 8 2.309 0.808 -2.071 39 HB2 CYS 8 2HB CYS 8 -0.461 -0.182 -1.474 40 HB3 CYS 8 1HB CYS 8 0.002 1.500 -1.346 41 H ILE 9 H ILE 9 1.175 -1.545 0.202 42 HA ILE 9 HA ILE 9 1.256 0.130 2.508 43 HB ILE 9 HB ILE 9 1.659 -2.798 2.836 44 HG12 ILE 9 2HG1 ILE 9 0.166 -2.713 0.895 45 HG13 ILE 9 1HG1 ILE 9 -0.683 -3.298 2.320 46 HG21 ILE 9 1HG2 ILE 9 1.300 -1.295 4.737 47 HG22 ILE 9 2HG2 ILE 9 0.017 -2.496 4.597 48 HG23 ILE 9 3HG2 ILE 9 -0.268 -0.838 4.073 49 HD11 ILE 9 3HD1 ILE 9 -2.068 -1.782 1.039 50 HD12 ILE 9 1HD1 ILE 9 -0.847 -0.519 1.186 51 HD13 ILE 9 2HD1 ILE 9 -1.693 -1.100 2.620 52 H LEU 10 H LEU 10 3.581 -1.795 0.797 53 HA LEU 10 HA LEU 10 5.475 -1.994 2.923 54 HB2 LEU 10 2HB LEU 10 5.198 -3.449 0.786 55 HB3 LEU 10 1HB LEU 10 6.162 -2.215 0.007 56 HG LEU 10 HG LEU 10 7.438 -4.234 0.740 57 HD11 LEU 10 1HD1 LEU 10 9.321 -3.015 1.682 58 HD12 LEU 10 2HD1 LEU 10 8.269 -1.641 2.024 59 HD13 LEU 10 3HD1 LEU 10 8.580 -2.121 0.355 60 HD21 LEU 10 3HD2 LEU 10 7.941 -4.542 3.082 61 HD22 LEU 10 1HD2 LEU 10 6.200 -4.634 2.825 62 HD23 LEU 10 2HD2 LEU 10 6.915 -3.176 3.512 63 H ASN 11 H ASN 11 5.345 -0.001 -0.041 64 HA ASN 11 HA ASN 11 7.602 1.575 0.859 65 HB2 ASN 11 2HB ASN 11 5.808 1.902 -1.556 66 HB3 ASN 11 1HB ASN 11 7.236 2.875 -1.231 67 HD21 ASN 11 2HD2 ASN 11 7.929 -0.001 -3.553 68 HD22 ASN 11 1HD2 ASN 11 6.663 1.176 -3.495 69 H ASN 12 H ASN 12 4.216 1.671 1.044 70 HA ASN 12 HA ASN 12 2.678 3.076 1.891 71 HB2 ASN 12 2HB ASN 12 5.123 4.065 3.333 72 HB3 ASN 12 1HB ASN 12 3.542 4.782 3.609 73 HD21 ASN 12 2HD2 ASN 12 2.359 1.474 4.873 74 HD22 ASN 12 1HD2 ASN 12 1.947 2.464 3.526 75 HA PRO 13 HA PRO 13 3.812 6.738 -0.836 76 HB2 PRO 13 2HB PRO 13 3.045 6.002 -3.276 77 HB3 PRO 13 1HB PRO 13 4.616 5.515 -2.643 78 HG2 PRO 13 2HG PRO 13 2.091 3.931 -2.822 79 HG3 PRO 13 1HG PRO 13 3.751 3.438 -3.204 80 HD2 PRO 13 2HD PRO 13 2.472 2.884 -0.829 81 HD3 PRO 13 1HD PRO 13 4.231 2.959 -1.027 82 H ASN 14 H ASN 14 1.145 4.642 -0.413 83 HA ASN 14 HA ASN 14 -0.760 6.816 -0.809 84 HB2 ASN 14 2HB ASN 14 -0.666 5.592 -2.951 85 HB3 ASN 14 1HB ASN 14 -1.033 4.094 -2.104 86 HD21 ASN 14 2HD2 ASN 14 -4.326 4.686 -3.044 87 HD22 ASN 14 1HD2 ASN 14 -2.891 3.745 -3.274 88 H GLN 15 H GLN 15 -0.744 3.301 -0.194 89 HA GLN 15 HA GLN 15 -1.810 2.017 1.334 90 HB2 GLN 15 2HB GLN 15 -0.238 3.820 2.684 91 HB3 GLN 15 1HB GLN 15 -1.796 4.032 3.477 92 HG2 GLN 15 2HG GLN 15 -0.383 1.397 3.118 93 HG3 GLN 15 1HG GLN 15 -0.315 2.384 4.576 94 HE21 GLN 15 2HE2 GLN 15 -3.612 0.180 3.683 95 HE22 GLN 15 1HE2 GLN 15 -2.390 0.500 2.498 96 H CYS 16 H CYS 16 -3.540 2.823 3.508 97 HA CYS 16 HA CYS 16 -5.715 4.349 2.490 98 HB2 CYS 16 2HB CYS 16 -5.939 2.349 1.061 99 HB3 CYS 16 1HB CYS 16 -5.982 1.331 2.492 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -7.123 1.495 -6.638 2 H2 GLY 1 2HT GLY 1 -5.500 1.812 -6.291 3 H3 GLY 1 3HT GLY 1 -6.716 2.505 -5.345 4 HA2 GLY 1 1HA GLY 1 -7.383 0.332 -4.554 5 HA3 GLY 1 2HA GLY 1 -6.116 -0.390 -5.533 6 H CYS 2 H CYS 2 -4.864 -1.233 -3.952 7 HA CYS 2 HA CYS 2 -3.298 -1.341 -2.333 8 HB2 CYS 2 2HB CYS 2 -2.953 1.546 -3.117 9 HB3 CYS 2 1HB CYS 2 -1.854 0.690 -2.040 10 H CYS 3 H CYS 3 -6.011 -0.806 -1.507 11 HA CYS 3 HA CYS 3 -5.657 0.925 0.806 12 HB2 CYS 3 2HB CYS 3 -7.736 1.195 -0.456 13 HB3 CYS 3 1HB CYS 3 -8.134 -0.496 -0.192 14 H SER 4 H SER 4 -6.201 -2.460 0.010 15 HA SER 4 HA SER 4 -6.133 -3.196 2.813 16 HB2 SER 4 2HB SER 4 -7.637 -4.417 1.286 17 HB3 SER 4 1HB SER 4 -6.247 -4.949 0.343 18 HG SER 4 HG SER 4 -6.450 -6.600 1.669 19 H ASN 5 H ASN 5 -4.380 -4.854 0.205 20 HA ASN 5 HA ASN 5 -1.825 -3.897 0.870 21 HB2 ASN 5 2HB ASN 5 -2.047 -5.063 2.959 22 HB3 ASN 5 1HB ASN 5 -2.563 -6.538 2.142 23 HD21 ASN 5 2HD2 ASN 5 1.368 -5.527 2.358 24 HD22 ASN 5 1HD2 ASN 5 0.121 -4.408 2.785 25 HA PRO 6 HA PRO 6 -1.316 -6.384 -2.849 26 HB2 PRO 6 2HB PRO 6 -0.822 -4.295 -4.537 27 HB3 PRO 6 1HB PRO 6 -2.428 -4.960 -4.247 28 HG2 PRO 6 2HG PRO 6 -1.366 -2.383 -3.457 29 HG3 PRO 6 1HG PRO 6 -3.029 -2.977 -3.373 30 HD2 PRO 6 2HD PRO 6 -1.012 -2.814 -1.260 31 HD3 PRO 6 1HD PRO 6 -2.761 -3.078 -1.129 32 H ALA 7 H ALA 7 0.477 -3.376 -3.254 33 HA ALA 7 HA ALA 7 2.891 -4.548 -2.107 34 HB1 ALA 7 1HB ALA 7 4.227 -4.070 -4.071 35 HB2 ALA 7 2HB ALA 7 2.796 -3.494 -4.925 36 HB3 ALA 7 3HB ALA 7 2.925 -5.191 -4.460 37 H CYS 8 H CYS 8 1.036 -1.789 -3.075 38 HA CYS 8 HA CYS 8 2.776 0.334 -2.794 39 HB2 CYS 8 2HB CYS 8 -0.104 0.063 -1.932 40 HB3 CYS 8 1HB CYS 8 0.761 1.587 -1.932 41 H ILE 9 H ILE 9 1.025 -1.367 -0.235 42 HA ILE 9 HA ILE 9 1.419 0.375 1.876 43 HB ILE 9 HB ILE 9 1.585 -2.550 2.449 44 HG12 ILE 9 2HG1 ILE 9 0.029 -2.462 0.575 45 HG13 ILE 9 1HG1 ILE 9 -0.822 -2.823 2.072 46 HG21 ILE 9 1HG2 ILE 9 0.044 -1.960 4.233 47 HG22 ILE 9 2HG2 ILE 9 -0.058 -0.313 3.618 48 HG23 ILE 9 3HG2 ILE 9 1.467 -0.920 4.260 49 HD11 ILE 9 3HD1 ILE 9 -2.088 -1.279 0.707 50 HD12 ILE 9 1HD1 ILE 9 -0.730 -0.154 0.688 51 HD13 ILE 9 2HD1 ILE 9 -1.568 -0.501 2.200 52 H LEU 10 H LEU 10 3.567 -2.070 0.587 53 HA LEU 10 HA LEU 10 5.430 -2.283 2.635 54 HB2 LEU 10 2HB LEU 10 5.377 -3.729 0.667 55 HB3 LEU 10 1HB LEU 10 5.884 -2.393 -0.346 56 HG LEU 10 HG LEU 10 8.043 -2.320 0.856 57 HD11 LEU 10 1HD1 LEU 10 6.987 -4.777 2.250 58 HD12 LEU 10 2HD1 LEU 10 7.335 -3.217 2.996 59 HD13 LEU 10 3HD1 LEU 10 8.647 -4.189 2.329 60 HD21 LEU 10 3HD2 LEU 10 8.948 -4.389 -0.095 61 HD22 LEU 10 1HD2 LEU 10 7.838 -3.593 -1.208 62 HD23 LEU 10 2HD2 LEU 10 7.312 -5.009 -0.300 63 H ASN 11 H ASN 11 5.084 0.228 0.194 64 HA ASN 11 HA ASN 11 7.519 1.530 1.200 65 HB2 ASN 11 2HB ASN 11 5.876 2.076 -1.282 66 HB3 ASN 11 1HB ASN 11 7.283 3.018 -0.792 67 HD21 ASN 11 2HD2 ASN 11 8.193 0.379 -3.281 68 HD22 ASN 11 1HD2 ASN 11 6.965 1.600 -3.230 69 H ASN 12 H ASN 12 4.216 1.579 1.515 70 HA ASN 12 HA ASN 12 2.630 2.985 2.313 71 HB2 ASN 12 2HB ASN 12 5.017 4.114 3.784 72 HB3 ASN 12 1HB ASN 12 3.346 4.512 4.155 73 HD21 ASN 12 2HD2 ASN 12 2.653 1.487 5.794 74 HD22 ASN 12 1HD2 ASN 12 1.973 2.852 4.977 75 HA PRO 13 HA PRO 13 3.762 6.686 -0.275 76 HB2 PRO 13 2HB PRO 13 3.028 5.946 -2.758 77 HB3 PRO 13 1HB PRO 13 4.614 5.548 -2.097 78 HG2 PRO 13 2HG PRO 13 2.287 3.801 -2.576 79 HG3 PRO 13 1HG PRO 13 4.001 3.378 -2.482 80 HD2 PRO 13 2HD PRO 13 2.005 3.118 -0.446 81 HD3 PRO 13 1HD PRO 13 3.732 2.728 -0.337 82 H ASN 14 H ASN 14 1.073 4.695 -1.473 83 HA ASN 14 HA ASN 14 -0.768 6.938 -1.210 84 HB2 ASN 14 2HB ASN 14 -0.831 5.683 -3.309 85 HB3 ASN 14 1HB ASN 14 -1.102 4.183 -2.431 86 HD21 ASN 14 2HD2 ASN 14 -4.469 4.642 -3.149 87 HD22 ASN 14 1HD2 ASN 14 -3.028 3.731 -3.429 88 H GLN 15 H GLN 15 -0.973 3.448 -0.517 89 HA GLN 15 HA GLN 15 -2.076 2.264 1.042 90 HB2 GLN 15 2HB GLN 15 -0.322 3.937 2.347 91 HB3 GLN 15 1HB GLN 15 -1.834 4.226 3.205 92 HG2 GLN 15 2HG GLN 15 -0.646 1.507 2.708 93 HG3 GLN 15 1HG GLN 15 -0.399 2.442 4.178 94 HE21 GLN 15 2HE2 GLN 15 -3.921 0.525 3.479 95 HE22 GLN 15 1HE2 GLN 15 -2.779 0.797 2.204 96 H CYS 16 H CYS 16 -3.571 3.557 3.351 97 HA CYS 16 HA CYS 16 -5.799 4.852 2.167 98 HB2 CYS 16 2HB CYS 16 -5.970 2.731 0.993 99 HB3 CYS 16 1HB CYS 16 -5.910 1.851 2.511 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -7.288 -2.402 -5.737 2 H2 GLY 1 2HT GLY 1 -7.182 -2.634 -4.067 3 H3 GLY 1 3HT GLY 1 -5.934 -3.163 -5.073 4 HA2 GLY 1 1HA GLY 1 -5.376 -0.913 -5.669 5 HA3 GLY 1 2HA GLY 1 -6.711 -0.329 -4.685 6 H CYS 2 H CYS 2 -4.848 0.919 -3.711 7 HA CYS 2 HA CYS 2 -3.038 -0.662 -2.082 8 HB2 CYS 2 2HB CYS 2 -3.255 2.333 -2.416 9 HB3 CYS 2 1HB CYS 2 -2.010 1.494 -1.497 10 H CYS 3 H CYS 3 -6.077 -0.167 -1.582 11 HA CYS 3 HA CYS 3 -5.862 0.638 1.226 12 HB2 CYS 3 2HB CYS 3 -7.841 1.114 -0.556 13 HB3 CYS 3 1HB CYS 3 -8.426 -0.400 0.118 14 H SER 4 H SER 4 -5.777 -2.011 -0.819 15 HA SER 4 HA SER 4 -5.920 -3.923 1.397 16 HB2 SER 4 2HB SER 4 -7.111 -4.425 -0.775 17 HB3 SER 4 1HB SER 4 -5.541 -4.432 -1.574 18 HG SER 4 HG SER 4 -6.270 -6.134 0.584 19 H ASN 5 H ASN 5 -3.941 -5.735 0.459 20 HA ASN 5 HA ASN 5 -1.557 -4.025 0.735 21 HB2 ASN 5 2HB ASN 5 -1.849 -5.408 2.696 22 HB3 ASN 5 1HB ASN 5 -1.978 -6.858 1.706 23 HD21 ASN 5 2HD2 ASN 5 1.644 -5.270 2.636 24 HD22 ASN 5 1HD2 ASN 5 0.162 -4.458 3.016 25 HA PRO 6 HA PRO 6 -0.360 -6.095 -3.107 26 HB2 PRO 6 2HB PRO 6 -0.122 -3.598 -4.441 27 HB3 PRO 6 1HB PRO 6 -1.335 -4.843 -4.726 28 HG2 PRO 6 2HG PRO 6 -1.856 -2.318 -3.692 29 HG3 PRO 6 1HG PRO 6 -2.919 -3.725 -3.535 30 HD2 PRO 6 2HD PRO 6 -0.949 -2.615 -1.570 31 HD3 PRO 6 1HD PRO 6 -2.577 -3.275 -1.289 32 H ALA 7 H ALA 7 0.793 -2.731 -2.827 33 HA ALA 7 HA ALA 7 3.271 -3.626 -1.603 34 HB1 ALA 7 1HB ALA 7 3.294 -2.213 -4.258 35 HB2 ALA 7 2HB ALA 7 3.678 -3.913 -3.990 36 HB3 ALA 7 3HB ALA 7 4.703 -2.657 -3.295 37 H CYS 8 H CYS 8 0.953 -1.170 -2.232 38 HA CYS 8 HA CYS 8 2.405 1.136 -1.638 39 HB2 CYS 8 2HB CYS 8 -0.468 0.362 -1.459 40 HB3 CYS 8 1HB CYS 8 0.055 1.888 -0.772 41 H ILE 9 H ILE 9 1.014 -1.258 0.463 42 HA ILE 9 HA ILE 9 1.262 0.232 2.880 43 HB ILE 9 HB ILE 9 1.434 -2.737 2.966 44 HG12 ILE 9 2HG1 ILE 9 -0.105 -2.333 1.104 45 HG13 ILE 9 1HG1 ILE 9 -0.955 -2.987 2.501 46 HG21 ILE 9 1HG2 ILE 9 -0.152 -2.428 4.805 47 HG22 ILE 9 2HG2 ILE 9 -0.217 -0.702 4.458 48 HG23 ILE 9 3HG2 ILE 9 1.287 -1.432 5.015 49 HD11 ILE 9 3HD1 ILE 9 -1.738 -0.730 3.059 50 HD12 ILE 9 1HD1 ILE 9 -2.257 -1.245 1.454 51 HD13 ILE 9 2HD1 ILE 9 -0.919 -0.109 1.626 52 H LEU 10 H LEU 10 3.413 -1.592 0.931 53 HA LEU 10 HA LEU 10 5.382 -1.992 3.009 54 HB2 LEU 10 2HB LEU 10 5.341 -2.559 0.058 55 HB3 LEU 10 1HB LEU 10 6.802 -2.741 1.005 56 HG LEU 10 HG LEU 10 5.564 -4.389 2.451 57 HD11 LEU 10 1HD1 LEU 10 3.536 -5.402 1.576 58 HD12 LEU 10 2HD1 LEU 10 3.514 -4.246 0.247 59 HD13 LEU 10 3HD1 LEU 10 3.283 -3.688 1.904 60 HD21 LEU 10 3HD2 LEU 10 5.827 -5.037 -0.481 61 HD22 LEU 10 1HD2 LEU 10 5.735 -6.215 0.829 62 HD23 LEU 10 2HD2 LEU 10 7.110 -5.117 0.725 63 H ASN 11 H ASN 11 5.144 -0.023 0.047 64 HA ASN 11 HA ASN 11 7.648 1.306 0.691 65 HB2 ASN 11 2HB ASN 11 5.757 1.746 -1.630 66 HB3 ASN 11 1HB ASN 11 7.359 2.455 -1.464 67 HD21 ASN 11 2HD2 ASN 11 7.329 -0.669 -3.580 68 HD22 ASN 11 1HD2 ASN 11 6.290 0.713 -3.536 69 H ASN 12 H ASN 12 4.364 1.763 1.206 70 HA ASN 12 HA ASN 12 3.071 3.348 2.143 71 HB2 ASN 12 2HB ASN 12 5.724 4.342 3.184 72 HB3 ASN 12 1HB ASN 12 4.160 4.892 3.762 73 HD21 ASN 12 2HD2 ASN 12 3.594 1.368 4.986 74 HD22 ASN 12 1HD2 ASN 12 2.879 2.299 3.722 75 HA PRO 13 HA PRO 13 4.054 6.835 -0.806 76 HB2 PRO 13 2HB PRO 13 2.567 5.733 -2.978 77 HB3 PRO 13 1HB PRO 13 4.299 6.037 -2.911 78 HG2 PRO 13 2HG PRO 13 3.121 3.534 -3.043 79 HG3 PRO 13 1HG PRO 13 4.774 3.856 -2.496 80 HD2 PRO 13 2HD PRO 13 2.304 3.364 -0.892 81 HD3 PRO 13 1HD PRO 13 3.979 2.857 -0.577 82 H ASN 14 H ASN 14 1.164 4.931 -1.539 83 HA ASN 14 HA ASN 14 -0.530 7.236 -1.000 84 HB2 ASN 14 2HB ASN 14 -0.950 6.081 -3.079 85 HB3 ASN 14 1HB ASN 14 -1.080 4.536 -2.249 86 HD21 ASN 14 2HD2 ASN 14 -4.514 5.026 -2.544 87 HD22 ASN 14 1HD2 ASN 14 -3.114 4.187 -3.121 88 H GLN 15 H GLN 15 -0.889 3.765 -0.351 89 HA GLN 15 HA GLN 15 -1.697 2.584 1.389 90 HB2 GLN 15 2HB GLN 15 0.360 3.978 2.374 91 HB3 GLN 15 1HB GLN 15 -0.918 4.665 3.367 92 HG2 GLN 15 2HG GLN 15 -0.166 1.760 3.150 93 HG3 GLN 15 1HG GLN 15 0.107 2.828 4.525 94 HE21 GLN 15 2HE2 GLN 15 -3.540 1.151 3.838 95 HE22 GLN 15 1HE2 GLN 15 -2.301 1.162 2.632 96 H CYS 16 H CYS 16 -3.875 2.759 0.889 97 HA CYS 16 HA CYS 16 -5.473 4.911 1.930 98 HB2 CYS 16 2HB CYS 16 -6.285 3.960 -0.071 99 HB3 CYS 16 1HB CYS 16 -6.102 2.323 0.526 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -6.905 0.509 -6.684 2 H2 GLY 1 2HT GLY 1 -5.347 -0.139 -6.655 3 H3 GLY 1 3HT GLY 1 -5.715 1.211 -5.711 4 HA2 GLY 1 1HA GLY 1 -7.272 -0.115 -4.403 5 HA3 GLY 1 2HA GLY 1 -6.826 -1.516 -5.367 6 H CYS 2 H CYS 2 -5.484 0.965 -3.215 7 HA CYS 2 HA CYS 2 -3.413 -0.984 -2.453 8 HB2 CYS 2 2HB CYS 2 -3.287 2.032 -2.436 9 HB3 CYS 2 1HB CYS 2 -2.058 0.977 -1.744 10 H CYS 3 H CYS 3 -6.170 -0.566 -1.334 11 HA CYS 3 HA CYS 3 -5.582 0.529 1.290 12 HB2 CYS 3 2HB CYS 3 -7.771 0.929 0.076 13 HB3 CYS 3 1HB CYS 3 -8.169 -0.752 0.414 14 H SER 4 H SER 4 -6.266 -2.598 -0.207 15 HA SER 4 HA SER 4 -6.293 -4.004 2.281 16 HB2 SER 4 2HB SER 4 -7.459 -4.864 0.273 17 HB3 SER 4 1HB SER 4 -5.902 -5.101 -0.514 18 HG SER 4 HG SER 4 -6.895 -6.402 1.800 19 H ASN 5 H ASN 5 -4.086 -4.922 -0.334 20 HA ASN 5 HA ASN 5 -1.768 -3.854 0.785 21 HB2 ASN 5 2HB ASN 5 -1.840 -5.336 2.608 22 HB3 ASN 5 1HB ASN 5 -2.294 -6.705 1.591 23 HD21 ASN 5 2HD2 ASN 5 1.616 -5.547 1.908 24 HD22 ASN 5 1HD2 ASN 5 0.329 -4.532 2.464 25 HA PRO 6 HA PRO 6 -0.126 -5.442 -2.965 26 HB2 PRO 6 2HB PRO 6 -0.064 -3.170 -4.398 27 HB3 PRO 6 1HB PRO 6 -1.507 -4.182 -4.364 28 HG2 PRO 6 2HG PRO 6 -1.051 -1.551 -3.148 29 HG3 PRO 6 1HG PRO 6 -2.575 -2.375 -3.511 30 HD2 PRO 6 2HD PRO 6 -1.131 -2.234 -0.986 31 HD3 PRO 6 1HD PRO 6 -2.757 -2.870 -1.302 32 H ALA 7 H ALA 7 1.743 -3.471 -4.048 33 HA ALA 7 HA ALA 7 3.697 -3.507 -1.978 34 HB1 ALA 7 1HB ALA 7 4.290 -3.692 -4.337 35 HB2 ALA 7 2HB ALA 7 5.137 -2.360 -3.550 36 HB3 ALA 7 3HB ALA 7 3.758 -2.031 -4.600 37 H CYS 8 H CYS 8 1.162 -1.367 -2.672 38 HA CYS 8 HA CYS 8 2.235 1.113 -2.003 39 HB2 CYS 8 2HB CYS 8 -0.504 -0.072 -1.884 40 HB3 CYS 8 1HB CYS 8 -0.209 1.528 -1.237 41 H ILE 9 H ILE 9 1.152 -1.489 0.078 42 HA ILE 9 HA ILE 9 1.221 0.156 2.455 43 HB ILE 9 HB ILE 9 1.460 -2.807 2.689 44 HG12 ILE 9 2HG1 ILE 9 -0.129 -2.550 0.839 45 HG13 ILE 9 1HG1 ILE 9 -0.920 -3.145 2.295 46 HG21 ILE 9 1HG2 ILE 9 -0.128 -2.432 4.522 47 HG22 ILE 9 2HG2 ILE 9 -0.201 -0.723 4.098 48 HG23 ILE 9 3HG2 ILE 9 1.311 -1.426 4.674 49 HD11 ILE 9 3HD1 ILE 9 -1.012 -0.337 1.235 50 HD12 ILE 9 1HD1 ILE 9 -1.755 -0.882 2.738 51 HD13 ILE 9 2HD1 ILE 9 -2.312 -1.527 1.194 52 H LEU 10 H LEU 10 3.344 -2.033 0.758 53 HA LEU 10 HA LEU 10 5.252 -2.427 2.801 54 HB2 LEU 10 2HB LEU 10 4.887 -3.776 0.668 55 HB3 LEU 10 1HB LEU 10 5.776 -2.524 -0.167 56 HG LEU 10 HG LEU 10 7.077 -4.603 0.414 57 HD11 LEU 10 1HD1 LEU 10 9.091 -3.419 1.077 58 HD12 LEU 10 2HD1 LEU 10 8.127 -2.019 1.547 59 HD13 LEU 10 3HD1 LEU 10 8.199 -2.512 -0.144 60 HD21 LEU 10 3HD2 LEU 10 7.875 -4.879 2.682 61 HD22 LEU 10 1HD2 LEU 10 6.115 -4.958 2.639 62 HD23 LEU 10 2HD2 LEU 10 6.917 -3.496 3.211 63 H ASN 11 H ASN 11 5.091 -0.123 0.105 64 HA ASN 11 HA ASN 11 7.529 1.166 1.113 65 HB2 ASN 11 2HB ASN 11 6.068 1.534 -1.513 66 HB3 ASN 11 1HB ASN 11 7.580 2.326 -1.066 67 HD21 ASN 11 2HD2 ASN 11 7.526 -1.503 -2.380 68 HD22 ASN 11 1HD2 ASN 11 6.075 -0.605 -2.099 69 H ASN 12 H ASN 12 4.236 1.445 1.188 70 HA ASN 12 HA ASN 12 2.710 2.966 1.815 71 HB2 ASN 12 2HB ASN 12 5.025 4.315 3.202 72 HB3 ASN 12 1HB ASN 12 3.318 4.517 3.575 73 HD21 ASN 12 2HD2 ASN 12 3.024 1.462 5.310 74 HD22 ASN 12 1HD2 ASN 12 2.165 2.661 4.410 75 HA PRO 13 HA PRO 13 4.073 6.384 -1.180 76 HB2 PRO 13 2HB PRO 13 2.864 5.536 -3.445 77 HB3 PRO 13 1HB PRO 13 4.522 5.112 -3.045 78 HG2 PRO 13 2HG PRO 13 2.040 3.496 -2.711 79 HG3 PRO 13 1HG PRO 13 3.628 2.993 -3.322 80 HD2 PRO 13 2HD PRO 13 2.814 2.504 -0.783 81 HD3 PRO 13 1HD PRO 13 4.514 2.782 -1.211 82 H ASN 14 H ASN 14 1.156 4.410 -1.055 83 HA ASN 14 HA ASN 14 -0.461 6.855 -1.231 84 HB2 ASN 14 2HB ASN 14 -0.509 5.532 -3.333 85 HB3 ASN 14 1HB ASN 14 -1.116 4.151 -2.430 86 HD21 ASN 14 2HD2 ASN 14 -4.418 5.215 -2.439 87 HD22 ASN 14 1HD2 ASN 14 -3.254 4.040 -1.938 88 H GLN 15 H GLN 15 -1.143 3.416 -0.633 89 HA GLN 15 HA GLN 15 -2.550 2.399 0.843 90 HB2 GLN 15 2HB GLN 15 -0.544 3.714 2.271 91 HB3 GLN 15 1HB GLN 15 -2.025 4.103 3.138 92 HG2 GLN 15 2HG GLN 15 -1.151 1.317 2.417 93 HG3 GLN 15 1HG GLN 15 -0.835 2.090 3.966 94 HE21 GLN 15 2HE2 GLN 15 -4.519 0.628 3.074 95 HE22 GLN 15 1HE2 GLN 15 -3.311 0.835 1.843 96 H CYS 16 H CYS 16 -4.309 2.930 2.693 97 HA CYS 16 HA CYS 16 -5.924 5.124 1.600 98 HB2 CYS 16 2HB CYS 16 -7.896 3.792 2.438 99 HB3 CYS 16 1HB CYS 16 -7.012 3.061 1.109 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -4.764 0.349 -6.058 2 H2 GLY 1 2HT GLY 1 -5.912 1.123 -5.087 3 H3 GLY 1 3HT GLY 1 -6.369 0.460 -6.570 4 HA2 GLY 1 1HA GLY 1 -7.076 -0.927 -4.711 5 HA3 GLY 1 2HA GLY 1 -5.970 -1.752 -5.800 6 H CYS 2 H CYS 2 -4.656 0.689 -3.714 7 HA CYS 2 HA CYS 2 -2.888 -1.315 -2.678 8 HB2 CYS 2 2HB CYS 2 -2.997 1.639 -2.082 9 HB3 CYS 2 1HB CYS 2 -1.707 0.538 -1.607 10 H CYS 3 H CYS 3 -5.822 0.039 -1.578 11 HA CYS 3 HA CYS 3 -5.312 -0.050 1.219 12 HB2 CYS 3 2HB CYS 3 -7.153 1.246 0.056 13 HB3 CYS 3 1HB CYS 3 -8.008 -0.281 -0.121 14 H SER 4 H SER 4 -5.674 -2.470 -1.053 15 HA SER 4 HA SER 4 -6.684 -4.410 0.896 16 HB2 SER 4 2HB SER 4 -7.777 -4.320 -1.332 17 HB3 SER 4 1HB SER 4 -6.237 -4.726 -2.084 18 HG SER 4 HG SER 4 -7.978 -6.432 -1.423 19 H ASN 5 H ASN 5 -3.904 -3.101 0.371 20 HA ASN 5 HA ASN 5 -1.705 -3.602 0.461 21 HB2 ASN 5 2HB ASN 5 -2.281 -4.552 2.615 22 HB3 ASN 5 1HB ASN 5 -2.743 -6.077 1.861 23 HD21 ASN 5 2HD2 ASN 5 1.163 -5.184 2.550 24 HD22 ASN 5 1HD2 ASN 5 -0.084 -4.004 2.736 25 HA PRO 6 HA PRO 6 -1.365 -6.456 -3.083 26 HB2 PRO 6 2HB PRO 6 -0.616 -4.385 -4.836 27 HB3 PRO 6 1HB PRO 6 -2.181 -5.191 -4.780 28 HG2 PRO 6 2HG PRO 6 -1.640 -2.505 -4.125 29 HG3 PRO 6 1HG PRO 6 -3.149 -3.383 -3.843 30 HD2 PRO 6 2HD PRO 6 -0.944 -2.753 -1.955 31 HD3 PRO 6 1HD PRO 6 -2.677 -2.975 -1.637 32 H ALA 7 H ALA 7 0.614 -3.530 -3.396 33 HA ALA 7 HA ALA 7 2.830 -4.683 -1.978 34 HB1 ALA 7 1HB ALA 7 4.411 -4.592 -3.828 35 HB2 ALA 7 2HB ALA 7 3.110 -4.143 -4.930 36 HB3 ALA 7 3HB ALA 7 3.109 -5.731 -4.162 37 H CYS 8 H CYS 8 1.064 -2.342 -1.909 38 HA CYS 8 HA CYS 8 2.819 -0.114 -2.606 39 HB2 CYS 8 2HB CYS 8 0.024 -0.115 -1.459 40 HB3 CYS 8 1HB CYS 8 0.881 1.272 -2.106 41 H ILE 9 H ILE 9 1.025 -1.339 0.170 42 HA ILE 9 HA ILE 9 1.602 0.548 2.082 43 HB ILE 9 HB ILE 9 1.588 -2.343 2.872 44 HG12 ILE 9 2HG1 ILE 9 -0.041 -2.208 1.087 45 HG13 ILE 9 1HG1 ILE 9 -0.868 -2.368 2.634 46 HG21 ILE 9 1HG2 ILE 9 0.259 0.114 4.008 47 HG22 ILE 9 2HG2 ILE 9 1.727 -0.647 4.616 48 HG23 ILE 9 3HG2 ILE 9 0.190 -1.508 4.699 49 HD11 ILE 9 3HD1 ILE 9 -1.368 0.001 2.634 50 HD12 ILE 9 1HD1 ILE 9 -1.968 -0.761 1.163 51 HD13 ILE 9 2HD1 ILE 9 -0.492 0.203 1.117 52 H LEU 10 H LEU 10 3.583 -2.168 1.062 53 HA LEU 10 HA LEU 10 5.526 -2.176 3.043 54 HB2 LEU 10 2HB LEU 10 5.352 -3.813 1.192 55 HB3 LEU 10 1HB LEU 10 5.965 -2.599 0.086 56 HG LEU 10 HG LEU 10 8.088 -2.546 1.373 57 HD11 LEU 10 1HD1 LEU 10 6.850 -4.858 2.861 58 HD12 LEU 10 2HD1 LEU 10 7.258 -3.280 3.532 59 HD13 LEU 10 3HD1 LEU 10 8.536 -4.356 2.970 60 HD21 LEU 10 3HD2 LEU 10 7.262 -5.261 0.355 61 HD22 LEU 10 1HD2 LEU 10 8.919 -4.699 0.572 62 HD23 LEU 10 2HD2 LEU 10 7.875 -3.929 -0.623 63 H ASN 11 H ASN 11 5.177 -0.027 0.292 64 HA ASN 11 HA ASN 11 7.613 1.437 1.003 65 HB2 ASN 11 2HB ASN 11 7.308 0.909 -1.355 66 HB3 ASN 11 1HB ASN 11 5.720 1.664 -1.350 67 HD21 ASN 11 2HD2 ASN 11 7.265 4.439 -2.717 68 HD22 ASN 11 1HD2 ASN 11 6.166 3.116 -2.919 69 H ASN 12 H ASN 12 4.191 1.591 1.128 70 HA ASN 12 HA ASN 12 2.673 2.997 2.038 71 HB2 ASN 12 2HB ASN 12 5.093 4.288 3.311 72 HB3 ASN 12 1HB ASN 12 3.430 4.695 3.706 73 HD21 ASN 12 2HD2 ASN 12 2.861 1.825 5.650 74 HD22 ASN 12 1HD2 ASN 12 2.129 3.108 4.746 75 HA PRO 13 HA PRO 13 3.882 6.282 -1.147 76 HB2 PRO 13 2HB PRO 13 1.937 5.070 -2.948 77 HB3 PRO 13 1HB PRO 13 3.648 5.395 -3.226 78 HG2 PRO 13 2HG PRO 13 2.662 2.888 -2.982 79 HG3 PRO 13 1HG PRO 13 4.300 3.329 -2.464 80 HD2 PRO 13 2HD PRO 13 1.817 2.999 -0.815 81 HD3 PRO 13 1HD PRO 13 3.474 2.441 -0.482 82 H ASN 14 H ASN 14 0.678 4.771 -1.157 83 HA ASN 14 HA ASN 14 -0.489 7.386 -0.542 84 HB2 ASN 14 2HB ASN 14 -2.592 6.479 -1.528 85 HB3 ASN 14 1HB ASN 14 -1.267 6.582 -2.677 86 HD21 ASN 14 2HD2 ASN 14 -3.124 3.347 -2.967 87 HD22 ASN 14 1HD2 ASN 14 -3.631 4.998 -2.869 88 H GLN 15 H GLN 15 -1.522 4.000 -0.116 89 HA GLN 15 HA GLN 15 -2.404 2.862 1.617 90 HB2 GLN 15 2HB GLN 15 -0.185 4.060 2.646 91 HB3 GLN 15 1HB GLN 15 -1.427 4.649 3.746 92 HG2 GLN 15 2HG GLN 15 -0.675 1.800 3.156 93 HG3 GLN 15 1HG GLN 15 -0.483 2.676 4.671 94 HE21 GLN 15 2HE2 GLN 15 -4.006 0.920 3.686 95 HE22 GLN 15 1HE2 GLN 15 -2.712 1.071 2.547 96 H CYS 16 H CYS 16 -4.364 2.787 2.542 97 HA CYS 16 HA CYS 16 -5.965 5.192 2.420 98 HB2 CYS 16 2HB CYS 16 -7.846 3.591 2.910 99 HB3 CYS 16 1HB CYS 16 -6.940 3.237 1.449
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