NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601715 | 2n07 | 25516 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 3.360 -3.997 -2.579 2 HA2 GLY 1 HA2 GLY 1 2.876 -4.567 -5.184 3 HA3 GLY 1 HA1 GLY 1 1.259 -4.416 -4.509 4 H HIS 2 HN HIS 2 0.425 -2.519 -4.935 5 HA HIS 2 HA HIS 2 2.048 -0.205 -5.504 6 HB2 HIS 2 HB2 HIS 2 -0.049 -0.747 -6.737 7 HB3 HIS 2 HB1 HIS 2 -0.964 -0.480 -5.262 8 HD1 HIS 2 HD1 HIS 2 1.697 1.733 -6.880 9 HD2 HIS 2 HD2 HIS 2 -2.296 1.808 -5.738 10 HE1 HIS 2 HE1 HIS 2 0.902 4.071 -7.352 11 HE2 HIS 2 HE2 HIS 2 -1.412 4.162 -6.349 12 H CYS 3 HN CYS 3 2.427 -1.194 -2.897 13 HA CYS 3 HA CYS 3 0.935 0.233 -0.952 14 HB2 CYS 3 HB2 CYS 3 3.673 -1.011 -0.685 15 HB3 CYS 3 HB1 CYS 3 2.571 -0.599 0.629 16 H SER 4 HN SER 4 3.142 1.375 -3.143 17 HA SER 4 HA SER 4 4.488 3.288 -1.482 18 HB2 SER 4 HB2 SER 4 4.914 4.294 -3.894 19 HB3 SER 4 HB1 SER 4 5.739 2.822 -3.379 20 HG SER 4 HG SER 4 4.888 2.339 -5.334 21 H ASP 5 HN ASP 5 1.446 2.949 -2.820 22 HA ASP 5 HA ASP 5 0.788 5.749 -3.126 23 HB2 ASP 5 HB2 ASP 5 -0.136 3.834 -4.518 24 HB3 ASP 5 HB1 ASP 5 -1.057 3.359 -3.100 25 HA PRO 6 HA PRO 6 -0.269 6.247 1.199 26 HB2 PRO 6 HB2 PRO 6 -1.735 8.534 0.917 27 HB3 PRO 6 HB1 PRO 6 0.032 8.509 0.918 28 HG2 PRO 6 HG2 PRO 6 -1.860 8.551 -1.413 29 HG3 PRO 6 HG1 PRO 6 -0.393 9.523 -1.147 30 HD2 PRO 6 HD2 PRO 6 -0.350 7.376 -2.739 31 HD3 PRO 6 HD1 PRO 6 1.023 7.748 -1.675 32 H ARG 7 HN ARG 7 -2.653 6.478 -1.388 33 HA ARG 7 HA ARG 7 -4.919 6.088 0.318 34 HB2 ARG 7 HB2 ARG 7 -4.439 6.301 -2.602 35 HB3 ARG 7 HB1 ARG 7 -5.888 5.449 -2.096 36 HG2 ARG 7 HG2 ARG 7 -5.149 8.255 -1.304 37 HG3 ARG 7 HG1 ARG 7 -6.309 7.805 -2.554 38 HD2 ARG 7 HD2 ARG 7 -6.499 7.355 0.413 39 HD3 ARG 7 HD1 ARG 7 -7.587 8.282 -0.619 40 HE ARG 7 HE ARG 7 -7.556 5.614 -1.496 41 HH11 ARG 7 HH11 ARG 7 -8.713 7.551 1.176 42 HH12 ARG 7 HH12 ARG 7 -9.965 6.439 1.617 43 HH21 ARG 7 HH21 ARG 7 -9.223 4.113 -0.912 44 HH22 ARG 7 HH22 ARG 7 -10.250 4.487 0.432 45 H PHE 8 HN PHE 8 -3.135 4.036 -1.952 46 HA PHE 8 HA PHE 8 -4.708 1.767 -1.796 47 HB2 PHE 8 HB2 PHE 8 -2.750 2.142 -3.338 48 HB3 PHE 8 HB1 PHE 8 -1.701 1.677 -2.001 49 HD1 PHE 8 HD2 PHE 8 -4.822 0.382 -3.595 50 HD2 PHE 8 HD1 PHE 8 -0.941 -0.484 -2.082 51 HE1 PHE 8 HE2 PHE 8 -5.117 -1.984 -4.202 52 HE2 PHE 8 HE1 PHE 8 -1.229 -2.850 -2.687 53 HZ PHE 8 HZ PHE 8 -3.318 -3.603 -3.748 54 H ASN 9 HN ASN 9 -2.145 2.767 0.442 55 HA ASN 9 HA ASN 9 -2.037 0.377 1.930 56 HB2 ASN 9 HB2 ASN 9 -1.376 3.232 2.623 57 HB3 ASN 9 HB1 ASN 9 -1.230 1.943 3.813 58 HD21 ASN 9 HD21 ASN 9 0.407 3.689 1.588 59 HD22 ASN 9 HD22 ASN 9 1.707 2.600 1.250 60 H TYR 10 HN TYR 10 -4.047 3.249 2.250 61 HA TYR 10 HA TYR 10 -5.386 2.320 4.614 62 HB2 TYR 10 HB2 TYR 10 -5.143 4.723 4.166 63 HB3 TYR 10 HB1 TYR 10 -6.072 4.550 2.682 64 HD1 TYR 10 HD1 TYR 10 -6.582 3.426 6.220 65 HD2 TYR 10 HD2 TYR 10 -8.146 5.514 2.860 66 HE1 TYR 10 HE1 TYR 10 -8.667 3.840 7.456 67 HE2 TYR 10 HE2 TYR 10 -10.235 5.936 4.087 68 HH TYR 10 HH TYR 10 -10.860 4.467 7.204 69 H ASP 11 HN ASP 11 -6.038 2.444 1.178 70 HA ASP 11 HA ASP 11 -8.719 1.581 1.200 71 HB2 ASP 11 HB2 ASP 11 -7.279 2.639 -0.699 72 HB3 ASP 11 HB1 ASP 11 -6.810 0.979 -1.045 73 H HIS 12 HN HIS 12 -5.653 -0.142 0.957 74 HA HIS 12 HA HIS 12 -7.070 -2.630 1.561 75 HB2 HIS 12 HB2 HIS 12 -5.286 -2.097 -0.782 76 HB3 HIS 12 HB1 HIS 12 -5.384 -3.721 -0.097 77 HD1 HIS 12 HD1 HIS 12 -7.987 -4.576 0.185 78 HD2 HIS 12 HD2 HIS 12 -7.204 -1.609 -2.620 79 HE1 HIS 12 HE1 HIS 12 -9.980 -4.558 -1.360 80 HE2 HIS 12 HE2 HIS 12 -9.599 -2.546 -2.837 81 HA PRO 13 HA PRO 13 -3.387 -2.039 4.295 82 HB2 PRO 13 HB2 PRO 13 -4.684 -2.781 6.568 83 HB3 PRO 13 HB1 PRO 13 -4.670 -1.122 5.964 84 HG2 PRO 13 HG2 PRO 13 -6.784 -3.222 5.695 85 HG3 PRO 13 HG1 PRO 13 -6.961 -1.493 6.050 86 HD2 PRO 13 HD2 PRO 13 -7.389 -2.530 3.585 87 HD3 PRO 13 HD1 PRO 13 -6.762 -0.889 3.837 88 H GLU 14 HN GLU 14 -5.735 -4.614 3.858 89 HA GLU 14 HA GLU 14 -4.214 -6.603 5.207 90 HB2 GLU 14 HB2 GLU 14 -5.807 -8.019 3.454 91 HB3 GLU 14 HB1 GLU 14 -6.207 -7.585 5.105 92 HG2 GLU 14 HG2 GLU 14 -8.055 -6.998 3.776 93 HG3 GLU 14 HG1 GLU 14 -7.252 -5.493 4.201 94 H ILE 15 HN ILE 15 -4.423 -5.592 1.834 95 HA ILE 15 HA ILE 15 -2.899 -7.720 0.774 96 HB ILE 15 HB ILE 15 -3.219 -4.922 -0.318 97 HG12 ILE 15 HG12 ILE 15 -4.780 -7.470 -0.793 98 HG13 ILE 15 HG11 ILE 15 -5.372 -5.993 -0.047 99 HG21 ILE 15 HG21 ILE 15 -1.469 -6.928 -1.140 100 HG22 ILE 15 HG22 ILE 15 -1.943 -5.493 -2.049 101 HG23 ILE 15 HG23 ILE 15 -2.818 -7.008 -2.274 102 HD11 ILE 15 HD11 ILE 15 -4.675 -6.460 -2.926 103 HD12 ILE 15 HD12 ILE 15 -4.916 -4.850 -2.251 104 HD13 ILE 15 HD13 ILE 15 -6.234 -6.022 -2.231 105 H CYS 16 HN CYS 16 -1.956 -4.428 1.749 106 HA CYS 16 HA CYS 16 0.805 -4.924 1.186 107 HB2 CYS 16 HB2 CYS 16 -0.626 -2.651 2.551 108 HB3 CYS 16 HB1 CYS 16 1.126 -2.699 2.366 109 H GLY 17 HN GLY 17 -1.141 -4.758 4.147 110 HA2 GLY 17 HA2 GLY 17 -0.776 -5.711 6.208 111 HA3 GLY 17 HA1 GLY 17 0.589 -6.569 5.512 112 H GLY 18 HN GLY 18 2.481 -5.008 4.981 113 HA2 GLY 18 HA2 GLY 18 2.909 -2.657 6.429 114 HA3 GLY 18 HA1 GLY 18 3.452 -3.998 7.429 115 H ALA 19 HN ALA 19 3.586 -3.796 3.913 116 HA ALA 19 HA ALA 19 6.403 -3.182 3.887 117 HB1 ALA 19 HB1 ALA 19 6.308 -5.565 2.391 118 HB2 ALA 19 HB2 ALA 19 5.554 -5.919 3.945 119 HB3 ALA 19 HB3 ALA 19 7.190 -5.261 3.888 120 H ALA 20 HN ALA 20 7.010 -2.319 1.975 121 HA ALA 20 HA ALA 20 5.043 -1.503 0.131 122 HB1 ALA 20 HB1 ALA 20 7.894 -1.097 0.527 123 HB2 ALA 20 HB2 ALA 20 6.665 0.010 -0.084 124 HB3 ALA 20 HB3 ALA 20 7.439 -1.140 -1.176 125 H GLY 21 HN GLY 21 7.099 -4.280 0.251 126 HA2 GLY 21 HA2 GLY 21 7.166 -4.997 -2.463 127 HA3 GLY 21 HA1 GLY 21 7.370 -6.097 -1.112 128 H GLY 22 HN GLY 22 4.492 -4.972 -0.368 129 HA2 GLY 22 HA2 GLY 22 3.081 -7.244 -1.254 130 HA3 GLY 22 HA1 GLY 22 2.363 -5.807 -0.541 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 3.560 -3.933 -6.208 2 HA2 GLY 1 HA2 GLY 1 5.160 -1.664 -6.249 3 HA3 GLY 1 HA1 GLY 1 4.061 -2.131 -7.536 4 H HIS 2 HN HIS 2 1.613 -1.840 -6.128 5 HA HIS 2 HA HIS 2 1.389 1.042 -6.245 6 HB2 HIS 2 HB2 HIS 2 -0.293 -0.750 -7.152 7 HB3 HIS 2 HB1 HIS 2 -0.879 -0.779 -5.495 8 HD1 HIS 2 HD1 HIS 2 -1.229 1.995 -4.649 9 HD2 HIS 2 HD2 HIS 2 -1.842 0.893 -8.613 10 HE1 HIS 2 HE1 HIS 2 -2.727 3.765 -5.620 11 HE2 HIS 2 HE2 HIS 2 -2.962 3.157 -8.050 12 H CYS 3 HN CYS 3 2.172 -1.138 -3.856 13 HA CYS 3 HA CYS 3 0.705 -0.020 -1.680 14 HB2 CYS 3 HB2 CYS 3 3.163 -1.773 -1.688 15 HB3 CYS 3 HB1 CYS 3 2.225 -1.358 -0.254 16 H SER 4 HN SER 4 3.143 1.275 -3.480 17 HA SER 4 HA SER 4 4.637 2.560 -1.391 18 HB2 SER 4 HB2 SER 4 5.583 2.191 -3.672 19 HB3 SER 4 HB1 SER 4 4.392 3.316 -4.322 20 HG SER 4 HG SER 4 5.445 4.703 -2.485 21 H ASP 5 HN ASP 5 1.699 2.970 -3.031 22 HA ASP 5 HA ASP 5 1.282 5.762 -2.432 23 HB2 ASP 5 HB2 ASP 5 0.311 4.952 -4.455 24 HB3 ASP 5 HB1 ASP 5 -0.395 3.563 -3.645 25 HA PRO 6 HA PRO 6 -0.096 4.952 1.751 26 HB2 PRO 6 HB2 PRO 6 -1.372 7.387 2.054 27 HB3 PRO 6 HB1 PRO 6 0.349 7.107 2.333 28 HG2 PRO 6 HG2 PRO 6 -1.024 8.242 -0.065 29 HG3 PRO 6 HG1 PRO 6 0.503 8.733 0.693 30 HD2 PRO 6 HD2 PRO 6 0.459 7.268 -1.554 31 HD3 PRO 6 HD1 PRO 6 1.695 7.013 -0.304 32 H ARG 7 HN ARG 7 -2.201 6.108 -0.837 33 HA ARG 7 HA ARG 7 -4.679 5.708 0.465 34 HB2 ARG 7 HB2 ARG 7 -3.900 5.723 -2.453 35 HB3 ARG 7 HB1 ARG 7 -5.566 5.562 -1.913 36 HG2 ARG 7 HG2 ARG 7 -4.003 7.836 -0.847 37 HG3 ARG 7 HG1 ARG 7 -4.478 7.896 -2.542 38 HD2 ARG 7 HD2 ARG 7 -6.014 8.869 -0.626 39 HD3 ARG 7 HD1 ARG 7 -6.689 8.108 -2.060 40 HE ARG 7 HE ARG 7 -6.526 6.045 -0.321 41 HH11 ARG 7 HH11 ARG 7 -7.810 9.281 -0.018 42 HH12 ARG 7 HH12 ARG 7 -9.130 8.809 0.998 43 HH21 ARG 7 HH21 ARG 7 -8.289 5.386 0.994 44 HH22 ARG 7 HH22 ARG 7 -9.398 6.596 1.578 45 H PHE 8 HN PHE 8 -2.892 3.649 -1.812 46 HA PHE 8 HA PHE 8 -4.635 1.478 -1.810 47 HB2 PHE 8 HB2 PHE 8 -2.658 1.877 -3.345 48 HB3 PHE 8 HB1 PHE 8 -1.635 1.258 -2.054 49 HD1 PHE 8 HD2 PHE 8 -4.973 0.073 -3.179 50 HD2 PHE 8 HD1 PHE 8 -0.807 -0.753 -2.880 51 HE1 PHE 8 HE2 PHE 8 -5.372 -2.217 -3.982 52 HE2 PHE 8 HE1 PHE 8 -1.202 -3.043 -3.680 53 HZ PHE 8 HZ PHE 8 -3.483 -3.777 -4.235 54 H ASN 9 HN ASN 9 -2.057 2.313 0.434 55 HA ASN 9 HA ASN 9 -2.025 -0.157 1.828 56 HB2 ASN 9 HB2 ASN 9 -1.120 2.615 2.591 57 HB3 ASN 9 HB1 ASN 9 -0.960 1.239 3.678 58 HD21 ASN 9 HD21 ASN 9 0.733 3.061 1.679 59 HD22 ASN 9 HD22 ASN 9 1.874 1.915 1.066 60 H TYR 10 HN TYR 10 -3.725 2.891 2.389 61 HA TYR 10 HA TYR 10 -4.955 2.038 4.816 62 HB2 TYR 10 HB2 TYR 10 -4.610 4.409 4.309 63 HB3 TYR 10 HB1 TYR 10 -5.677 4.282 2.917 64 HD1 TYR 10 HD1 TYR 10 -5.966 3.173 6.482 65 HD2 TYR 10 HD2 TYR 10 -7.627 5.442 3.290 66 HE1 TYR 10 HE1 TYR 10 -7.888 3.751 7.901 67 HE2 TYR 10 HE2 TYR 10 -9.553 6.028 4.700 68 HH TYR 10 HH TYR 10 -10.311 4.447 7.524 69 H ASP 11 HN ASP 11 -6.043 2.320 1.468 70 HA ASP 11 HA ASP 11 -8.689 1.432 1.923 71 HB2 ASP 11 HB2 ASP 11 -7.064 1.434 -0.630 72 HB3 ASP 11 HB1 ASP 11 -8.805 1.198 -0.536 73 H HIS 12 HN HIS 12 -5.697 -0.244 1.497 74 HA HIS 12 HA HIS 12 -7.130 -2.772 1.762 75 HB2 HIS 12 HB2 HIS 12 -5.350 -2.024 -0.510 76 HB3 HIS 12 HB1 HIS 12 -5.303 -3.683 0.081 77 HD1 HIS 12 HD1 HIS 12 -7.831 -4.821 0.260 78 HD2 HIS 12 HD2 HIS 12 -7.291 -1.609 -2.345 79 HE1 HIS 12 HE1 HIS 12 -9.778 -4.895 -1.332 80 HE2 HIS 12 HE2 HIS 12 -9.533 -2.833 -2.757 81 HA PRO 13 HA PRO 13 -3.617 -2.592 4.687 82 HB2 PRO 13 HB2 PRO 13 -4.979 -3.578 6.793 83 HB3 PRO 13 HB1 PRO 13 -5.060 -1.874 6.331 84 HG2 PRO 13 HG2 PRO 13 -7.003 -4.080 5.783 85 HG3 PRO 13 HG1 PRO 13 -7.319 -2.406 6.272 86 HD2 PRO 13 HD2 PRO 13 -7.523 -3.292 3.696 87 HD3 PRO 13 HD1 PRO 13 -7.134 -1.616 4.129 88 H GLU 14 HN GLU 14 -5.717 -5.109 3.557 89 HA GLU 14 HA GLU 14 -4.300 -7.243 4.858 90 HB2 GLU 14 HB2 GLU 14 -5.796 -8.730 3.832 91 HB3 GLU 14 HB1 GLU 14 -6.754 -7.296 4.146 92 HG2 GLU 14 HG2 GLU 14 -5.526 -7.935 1.474 93 HG3 GLU 14 HG1 GLU 14 -7.155 -8.405 1.944 94 H ILE 15 HN ILE 15 -4.256 -5.705 1.708 95 HA ILE 15 HA ILE 15 -2.504 -7.599 0.488 96 HB ILE 15 HB ILE 15 -3.111 -4.742 -0.297 97 HG12 ILE 15 HG12 ILE 15 -4.232 -7.370 -1.299 98 HG13 ILE 15 HG11 ILE 15 -5.082 -6.216 -0.278 99 HG21 ILE 15 HG21 ILE 15 -2.389 -6.205 -2.558 100 HG22 ILE 15 HG22 ILE 15 -1.198 -6.640 -1.332 101 HG23 ILE 15 HG23 ILE 15 -1.445 -4.947 -1.760 102 HD11 ILE 15 HD11 ILE 15 -5.266 -6.345 -2.978 103 HD12 ILE 15 HD12 ILE 15 -4.047 -5.087 -2.769 104 HD13 ILE 15 HD13 ILE 15 -5.630 -4.917 -2.009 105 H CYS 16 HN CYS 16 -2.026 -4.460 2.052 106 HA CYS 16 HA CYS 16 0.759 -5.164 2.524 107 HB2 CYS 16 HB2 CYS 16 -0.124 -2.749 0.958 108 HB3 CYS 16 HB1 CYS 16 1.411 -2.778 1.818 109 H GLY 17 HN GLY 17 -1.651 -2.563 2.898 110 HA2 GLY 17 HA2 GLY 17 -2.197 -1.239 4.684 111 HA3 GLY 17 HA1 GLY 17 -1.824 -2.648 5.659 112 H GLY 18 HN GLY 18 0.461 -0.802 3.682 113 HA2 GLY 18 HA2 GLY 18 1.685 1.049 4.867 114 HA3 GLY 18 HA1 GLY 18 1.844 -0.092 6.195 115 H ALA 19 HN ALA 19 2.445 -2.407 4.768 116 HA ALA 19 HA ALA 19 5.231 -2.054 4.357 117 HB1 ALA 19 HB1 ALA 19 3.585 -4.196 4.876 118 HB2 ALA 19 HB2 ALA 19 5.309 -4.282 4.515 119 HB3 ALA 19 HB3 ALA 19 4.126 -4.501 3.225 120 H ALA 20 HN ALA 20 6.302 -1.490 2.571 121 HA ALA 20 HA ALA 20 4.866 -0.974 0.132 122 HB1 ALA 20 HB1 ALA 20 7.838 -0.769 0.364 123 HB2 ALA 20 HB2 ALA 20 6.801 0.389 1.197 124 HB3 ALA 20 HB3 ALA 20 6.712 0.229 -0.557 125 H GLY 21 HN GLY 21 4.635 -3.631 0.521 126 HA2 GLY 21 HA2 GLY 21 6.718 -5.107 -0.819 127 HA3 GLY 21 HA1 GLY 21 5.158 -5.736 -0.306 128 H GLY 22 HN GLY 22 3.355 -4.278 -1.617 129 HA2 GLY 22 HA2 GLY 22 3.657 -5.214 -4.329 130 HA3 GLY 22 HA1 GLY 22 2.241 -4.428 -3.643 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 3.305 -6.171 -4.699 2 HA2 GLY 1 HA2 GLY 1 1.130 -5.544 -5.055 3 HA3 GLY 1 HA1 GLY 1 1.111 -4.971 -3.391 4 H HIS 2 HN HIS 2 0.552 -2.934 -3.257 5 HA HIS 2 HA HIS 2 1.795 -0.965 -5.007 6 HB2 HIS 2 HB2 HIS 2 -0.360 -1.586 -6.102 7 HB3 HIS 2 HB1 HIS 2 -1.214 -1.139 -4.633 8 HD1 HIS 2 HD1 HIS 2 1.279 0.655 -6.913 9 HD2 HIS 2 HD2 HIS 2 -2.317 1.290 -4.932 10 HE1 HIS 2 HE1 HIS 2 0.625 3.023 -7.444 11 HE2 HIS 2 HE2 HIS 2 -1.408 3.458 -6.009 12 H CYS 3 HN CYS 3 2.240 -1.679 -2.324 13 HA CYS 3 HA CYS 3 0.829 -0.102 -0.476 14 HB2 CYS 3 HB2 CYS 3 2.424 -2.051 -0.006 15 HB3 CYS 3 HB1 CYS 3 3.721 -0.868 -0.144 16 H SER 4 HN SER 4 3.271 0.713 -2.753 17 HA SER 4 HA SER 4 4.200 3.099 -1.490 18 HB2 SER 4 HB2 SER 4 4.345 2.483 -4.440 19 HB3 SER 4 HB1 SER 4 5.473 3.422 -3.460 20 HG SER 4 HG SER 4 6.505 1.638 -3.111 21 H ASP 5 HN ASP 5 1.578 3.348 -1.249 22 HA ASP 5 HA ASP 5 0.942 5.734 -2.696 23 HB2 ASP 5 HB2 ASP 5 0.329 3.916 -4.324 24 HB3 ASP 5 HB1 ASP 5 -0.812 3.302 -3.140 25 HA PRO 6 HA PRO 6 -0.673 6.144 1.470 26 HB2 PRO 6 HB2 PRO 6 -1.913 8.539 0.208 27 HB3 PRO 6 HB1 PRO 6 -0.958 8.413 1.689 28 HG2 PRO 6 HG2 PRO 6 0.112 9.430 -0.523 29 HG3 PRO 6 HG1 PRO 6 1.060 8.377 0.544 30 HD2 PRO 6 HD2 PRO 6 -0.219 7.760 -2.084 31 HD3 PRO 6 HD1 PRO 6 1.330 7.199 -1.424 32 H ARG 7 HN ARG 7 -2.599 6.467 -1.456 33 HA ARG 7 HA ARG 7 -5.141 6.291 -0.189 34 HB2 ARG 7 HB2 ARG 7 -4.345 5.619 -3.029 35 HB3 ARG 7 HB1 ARG 7 -5.989 5.871 -2.455 36 HG2 ARG 7 HG2 ARG 7 -5.604 8.164 -2.065 37 HG3 ARG 7 HG1 ARG 7 -3.862 7.979 -2.259 38 HD2 ARG 7 HD2 ARG 7 -5.929 7.594 -4.420 39 HD3 ARG 7 HD1 ARG 7 -4.891 9.008 -4.229 40 HE ARG 7 HE ARG 7 -3.285 6.692 -4.372 41 HH11 ARG 7 HH11 ARG 7 -5.306 8.717 -6.400 42 HH12 ARG 7 HH12 ARG 7 -4.479 8.301 -7.861 43 HH21 ARG 7 HH21 ARG 7 -2.213 6.118 -6.274 44 HH22 ARG 7 HH22 ARG 7 -2.701 6.821 -7.791 45 H PHE 8 HN PHE 8 -3.005 3.962 -1.746 46 HA PHE 8 HA PHE 8 -4.669 1.701 -1.503 47 HB2 PHE 8 HB2 PHE 8 -2.504 2.013 -2.901 48 HB3 PHE 8 HB1 PHE 8 -1.669 1.540 -1.427 49 HD1 PHE 8 HD1 PHE 8 -4.357 0.411 -3.735 50 HD2 PHE 8 HD2 PHE 8 -1.322 -0.701 -0.967 51 HE1 PHE 8 HE1 PHE 8 -4.725 -1.957 -4.288 52 HE2 PHE 8 HE2 PHE 8 -1.683 -3.070 -1.518 53 HZ PHE 8 HZ PHE 8 -3.385 -3.700 -3.182 54 H ASN 9 HN ASN 9 -2.409 3.244 0.654 55 HA ASN 9 HA ASN 9 -2.101 1.190 2.549 56 HB2 ASN 9 HB2 ASN 9 -1.981 4.197 2.858 57 HB3 ASN 9 HB1 ASN 9 -1.550 3.071 4.138 58 HD21 ASN 9 HD21 ASN 9 -0.607 1.456 1.536 59 HD22 ASN 9 HD22 ASN 9 1.008 2.043 1.353 60 H TYR 10 HN TYR 10 -4.643 3.478 1.967 61 HA TYR 10 HA TYR 10 -5.954 2.867 4.488 62 HB2 TYR 10 HB2 TYR 10 -5.852 5.199 3.666 63 HB3 TYR 10 HB1 TYR 10 -6.797 4.727 2.259 64 HD1 TYR 10 HD1 TYR 10 -7.143 4.020 5.914 65 HD2 TYR 10 HD2 TYR 10 -8.911 5.626 2.397 66 HE1 TYR 10 HE1 TYR 10 -9.216 4.457 7.165 67 HE2 TYR 10 HE2 TYR 10 -10.990 6.071 3.635 68 HH TYR 10 HH TYR 10 -11.821 4.704 6.379 69 H ASP 11 HN ASP 11 -6.610 2.537 0.990 70 HA ASP 11 HA ASP 11 -9.124 1.261 1.477 71 HB2 ASP 11 HB2 ASP 11 -9.496 1.350 -0.782 72 HB3 ASP 11 HB1 ASP 11 -8.322 2.643 -0.603 73 H HIS 12 HN HIS 12 -5.864 0.061 0.875 74 HA HIS 12 HA HIS 12 -6.880 -2.624 1.468 75 HB2 HIS 12 HB2 HIS 12 -5.352 -1.861 -0.998 76 HB3 HIS 12 HB1 HIS 12 -5.241 -3.489 -0.341 77 HD1 HIS 12 HD1 HIS 12 -7.762 -4.656 0.005 78 HD2 HIS 12 HD2 HIS 12 -7.341 -1.582 -2.775 79 HE1 HIS 12 HE1 HIS 12 -9.771 -4.811 -1.499 80 HE2 HIS 12 HE2 HIS 12 -9.596 -2.806 -3.013 81 HA PRO 13 HA PRO 13 -2.804 -1.532 3.651 82 HB2 PRO 13 HB2 PRO 13 -3.751 -2.119 6.159 83 HB3 PRO 13 HB1 PRO 13 -3.752 -0.492 5.470 84 HG2 PRO 13 HG2 PRO 13 -5.982 -2.476 5.655 85 HG3 PRO 13 HG1 PRO 13 -6.018 -0.720 5.907 86 HD2 PRO 13 HD2 PRO 13 -6.892 -1.860 3.624 87 HD3 PRO 13 HD1 PRO 13 -6.101 -0.271 3.642 88 H GLU 14 HN GLU 14 -5.257 -3.955 3.880 89 HA GLU 14 HA GLU 14 -3.974 -6.089 5.088 90 HB2 GLU 14 HB2 GLU 14 -5.553 -7.342 3.294 91 HB3 GLU 14 HB1 GLU 14 -6.173 -6.578 4.756 92 HG2 GLU 14 HG2 GLU 14 -7.095 -4.831 3.627 93 HG3 GLU 14 HG1 GLU 14 -5.899 -4.889 2.334 94 H ILE 15 HN ILE 15 -4.124 -5.259 1.630 95 HA ILE 15 HA ILE 15 -2.609 -7.420 0.694 96 HB ILE 15 HB ILE 15 -2.941 -4.678 -0.532 97 HG12 ILE 15 HG12 ILE 15 -4.424 -7.284 -0.944 98 HG13 ILE 15 HG11 ILE 15 -5.063 -5.829 -0.189 99 HG21 ILE 15 HG21 ILE 15 -1.114 -6.619 -1.261 100 HG22 ILE 15 HG22 ILE 15 -1.702 -5.305 -2.280 101 HG23 ILE 15 HG23 ILE 15 -2.470 -6.891 -2.355 102 HD11 ILE 15 HD11 ILE 15 -4.165 -5.994 -3.054 103 HD12 ILE 15 HD12 ILE 15 -5.002 -4.654 -2.271 104 HD13 ILE 15 HD13 ILE 15 -5.831 -6.192 -2.513 105 H CYS 16 HN CYS 16 -1.613 -4.202 1.797 106 HA CYS 16 HA CYS 16 1.116 -4.528 1.061 107 HB2 CYS 16 HB2 CYS 16 0.226 -2.291 1.469 108 HB3 CYS 16 HB1 CYS 16 -0.116 -2.711 3.146 109 H GLY 17 HN GLY 17 -0.691 -5.007 4.071 110 HA2 GLY 17 HA2 GLY 17 1.489 -5.755 5.689 111 HA3 GLY 17 HA1 GLY 17 -0.190 -6.185 5.975 112 H GLY 18 HN GLY 18 -0.725 -7.731 3.737 113 HA2 GLY 18 HA2 GLY 18 0.599 -10.186 4.489 114 HA3 GLY 18 HA1 GLY 18 -0.700 -10.012 3.319 115 H ALA 19 HN ALA 19 2.491 -8.476 3.425 116 HA ALA 19 HA ALA 19 3.657 -10.108 1.418 117 HB1 ALA 19 HB1 ALA 19 3.687 -7.687 0.013 118 HB2 ALA 19 HB2 ALA 19 2.007 -7.934 0.489 119 HB3 ALA 19 HB3 ALA 19 2.852 -9.173 -0.439 120 H ALA 20 HN ALA 20 3.562 -6.786 2.631 121 HA ALA 20 HA ALA 20 5.133 -5.360 3.420 122 HB1 ALA 20 HB1 ALA 20 7.149 -6.935 4.479 123 HB2 ALA 20 HB2 ALA 20 5.710 -7.949 4.579 124 HB3 ALA 20 HB3 ALA 20 5.714 -6.351 5.323 125 H GLY 21 HN GLY 21 5.430 -6.191 0.647 126 HA2 GLY 21 HA2 GLY 21 7.805 -4.918 0.000 127 HA3 GLY 21 HA1 GLY 21 8.172 -6.634 0.059 128 H GLY 22 HN GLY 22 5.294 -4.884 -1.124 129 HA2 GLY 22 HA2 GLY 22 5.826 -5.018 -3.829 130 HA3 GLY 22 HA1 GLY 22 5.106 -6.565 -3.413 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 3.886 -3.196 -2.740 2 HA2 GLY 1 HA2 GLY 1 3.468 -3.852 -5.393 3 HA3 GLY 1 HA1 GLY 1 1.924 -4.093 -4.586 4 H HIS 2 HN HIS 2 0.620 -2.418 -4.761 5 HA HIS 2 HA HIS 2 1.594 0.198 -5.472 6 HB2 HIS 2 HB2 HIS 2 -0.550 -0.856 -6.321 7 HB3 HIS 2 HB1 HIS 2 -1.228 -0.605 -4.721 8 HD1 HIS 2 HD1 HIS 2 0.530 1.661 -7.259 9 HD2 HIS 2 HD2 HIS 2 -2.753 1.601 -4.717 10 HE1 HIS 2 HE1 HIS 2 -0.614 3.875 -7.581 11 HE2 HIS 2 HE2 HIS 2 -2.420 3.912 -5.818 12 H CYS 3 HN CYS 3 2.094 -1.132 -2.757 13 HA CYS 3 HA CYS 3 0.773 0.317 -0.738 14 HB2 CYS 3 HB2 CYS 3 3.539 -0.878 -0.560 15 HB3 CYS 3 HB1 CYS 3 2.395 -0.611 0.754 16 H SER 4 HN SER 4 3.338 1.187 -2.857 17 HA SER 4 HA SER 4 4.611 3.150 -1.277 18 HB2 SER 4 HB2 SER 4 5.577 2.223 -3.371 19 HB3 SER 4 HB1 SER 4 4.328 3.057 -4.295 20 HG SER 4 HG SER 4 5.307 4.950 -2.914 21 H ASP 5 HN ASP 5 1.602 3.021 -2.882 22 HA ASP 5 HA ASP 5 1.215 5.907 -2.889 23 HB2 ASP 5 HB2 ASP 5 0.419 4.707 -4.830 24 HB3 ASP 5 HB1 ASP 5 -0.513 3.612 -3.823 25 HA PRO 6 HA PRO 6 -0.437 5.845 1.239 26 HB2 PRO 6 HB2 PRO 6 -1.813 8.243 0.972 27 HB3 PRO 6 HB1 PRO 6 -0.120 8.078 1.448 28 HG2 PRO 6 HG2 PRO 6 -1.287 8.698 -1.231 29 HG3 PRO 6 HG1 PRO 6 0.164 9.362 -0.455 30 HD2 PRO 6 HD2 PRO 6 0.341 7.510 -2.378 31 HD3 PRO 6 HD1 PRO 6 1.449 7.503 -0.989 32 H ARG 7 HN ARG 7 -2.520 6.449 -1.570 33 HA ARG 7 HA ARG 7 -4.975 6.183 -0.200 34 HB2 ARG 7 HB2 ARG 7 -4.375 5.618 -3.109 35 HB3 ARG 7 HB1 ARG 7 -5.984 5.748 -2.417 36 HG2 ARG 7 HG2 ARG 7 -5.696 7.820 -3.349 37 HG3 ARG 7 HG1 ARG 7 -5.188 8.113 -1.684 38 HD2 ARG 7 HD2 ARG 7 -2.859 7.836 -2.344 39 HD3 ARG 7 HD1 ARG 7 -3.358 7.512 -4.001 40 HE ARG 7 HE ARG 7 -4.351 10.017 -3.151 41 HH11 ARG 7 HH11 ARG 7 -1.420 8.382 -4.150 42 HH12 ARG 7 HH12 ARG 7 -0.653 9.840 -4.716 43 HH21 ARG 7 HH21 ARG 7 -3.344 11.945 -3.899 44 HH22 ARG 7 HH22 ARG 7 -1.750 11.867 -4.573 45 H PHE 8 HN PHE 8 -3.058 3.834 -2.048 46 HA PHE 8 HA PHE 8 -4.778 1.648 -1.778 47 HB2 PHE 8 HB2 PHE 8 -2.736 1.808 -3.253 48 HB3 PHE 8 HB1 PHE 8 -1.769 1.461 -1.823 49 HD1 PHE 8 HD2 PHE 8 -4.902 0.060 -3.298 50 HD2 PHE 8 HD1 PHE 8 -0.997 -0.692 -1.787 51 HE1 PHE 8 HE2 PHE 8 -5.221 -2.347 -3.686 52 HE2 PHE 8 HE1 PHE 8 -1.307 -3.101 -2.174 53 HZ PHE 8 HZ PHE 8 -3.420 -3.931 -3.125 54 H ASN 9 HN ASN 9 -2.261 2.821 0.411 55 HA ASN 9 HA ASN 9 -2.229 0.628 2.161 56 HB2 ASN 9 HB2 ASN 9 -1.634 3.545 2.674 57 HB3 ASN 9 HB1 ASN 9 -1.358 2.273 3.859 58 HD21 ASN 9 HD21 ASN 9 0.164 4.132 1.731 59 HD22 ASN 9 HD22 ASN 9 1.455 3.089 1.246 60 H TYR 10 HN TYR 10 -4.293 3.469 2.042 61 HA TYR 10 HA TYR 10 -5.642 2.835 4.503 62 HB2 TYR 10 HB2 TYR 10 -5.396 5.165 3.704 63 HB3 TYR 10 HB1 TYR 10 -6.403 4.782 2.313 64 HD1 TYR 10 HD2 TYR 10 -6.724 4.075 5.972 65 HD2 TYR 10 HD1 TYR 10 -8.447 5.828 2.500 66 HE1 TYR 10 HE2 TYR 10 -8.730 4.658 7.269 67 HE2 TYR 10 HE1 TYR 10 -10.457 6.417 3.787 68 HH TYR 10 HH TYR 10 -11.348 5.105 6.505 69 H ASP 11 HN ASP 11 -6.282 2.530 1.059 70 HA ASP 11 HA ASP 11 -8.933 1.582 1.232 71 HB2 ASP 11 HB2 ASP 11 -7.981 2.519 -0.823 72 HB3 ASP 11 HB1 ASP 11 -6.845 1.182 -0.924 73 H HIS 12 HN HIS 12 -5.850 -0.180 0.776 74 HA HIS 12 HA HIS 12 -7.164 -2.539 1.922 75 HB2 HIS 12 HB2 HIS 12 -5.647 -2.458 -0.681 76 HB3 HIS 12 HB1 HIS 12 -5.996 -3.953 0.188 77 HD1 HIS 12 HD1 HIS 12 -8.723 -4.112 0.821 78 HD2 HIS 12 HD2 HIS 12 -7.549 -1.876 -2.485 79 HE1 HIS 12 HE1 HIS 12 -10.800 -3.822 -0.580 80 HE2 HIS 12 HE2 HIS 12 -10.108 -2.172 -2.356 81 HA PRO 13 HA PRO 13 -3.053 -1.917 3.899 82 HB2 PRO 13 HB2 PRO 13 -3.925 -2.384 6.422 83 HB3 PRO 13 HB1 PRO 13 -4.015 -0.791 5.664 84 HG2 PRO 13 HG2 PRO 13 -6.156 -2.849 6.010 85 HG3 PRO 13 HG1 PRO 13 -6.252 -1.089 6.201 86 HD2 PRO 13 HD2 PRO 13 -7.119 -2.403 3.976 87 HD3 PRO 13 HD1 PRO 13 -6.510 -0.736 3.948 88 H GLU 14 HN GLU 14 -5.494 -4.379 3.916 89 HA GLU 14 HA GLU 14 -4.105 -6.403 5.302 90 HB2 GLU 14 HB2 GLU 14 -5.787 -7.561 3.288 91 HB3 GLU 14 HB1 GLU 14 -6.007 -7.532 5.026 92 HG2 GLU 14 HG2 GLU 14 -7.950 -6.593 4.163 93 HG3 GLU 14 HG1 GLU 14 -7.001 -5.213 4.703 94 H ILE 15 HN ILE 15 -4.444 -5.765 1.824 95 HA ILE 15 HA ILE 15 -2.942 -7.913 0.882 96 HB ILE 15 HB ILE 15 -3.072 -5.178 -0.393 97 HG12 ILE 15 HG12 ILE 15 -4.998 -7.511 -0.522 98 HG13 ILE 15 HG11 ILE 15 -5.321 -5.903 0.110 99 HG21 ILE 15 HG21 ILE 15 -3.029 -7.648 -2.008 100 HG22 ILE 15 HG22 ILE 15 -1.535 -7.242 -1.163 101 HG23 ILE 15 HG23 ILE 15 -2.251 -6.091 -2.292 102 HD11 ILE 15 HD11 ILE 15 -6.249 -6.437 -2.177 103 HD12 ILE 15 HD12 ILE 15 -4.585 -6.365 -2.759 104 HD13 ILE 15 HD13 ILE 15 -5.325 -4.942 -2.027 105 H CYS 16 HN CYS 16 -1.850 -4.650 1.760 106 HA CYS 16 HA CYS 16 0.871 -5.178 1.079 107 HB2 CYS 16 HB2 CYS 16 -0.415 -2.975 2.694 108 HB3 CYS 16 HB1 CYS 16 1.309 -3.038 2.337 109 H GLY 17 HN GLY 17 -0.948 -5.105 4.125 110 HA2 GLY 17 HA2 GLY 17 -0.553 -6.210 6.104 111 HA3 GLY 17 HA1 GLY 17 0.767 -7.057 5.316 112 H GLY 18 HN GLY 18 2.488 -5.086 4.650 113 HA2 GLY 18 HA2 GLY 18 2.988 -3.083 6.529 114 HA3 GLY 18 HA1 GLY 18 3.792 -4.542 7.095 115 H ALA 19 HN ALA 19 4.323 -5.539 4.419 116 HA ALA 19 HA ALA 19 6.838 -4.311 3.997 117 HB1 ALA 19 HB1 ALA 19 5.610 -5.979 1.864 118 HB2 ALA 19 HB2 ALA 19 5.934 -6.727 3.428 119 HB3 ALA 19 HB3 ALA 19 7.251 -5.995 2.510 120 H ALA 20 HN ALA 20 7.276 -2.503 2.955 121 HA ALA 20 HA ALA 20 5.339 -0.986 1.578 122 HB1 ALA 20 HB1 ALA 20 6.926 0.656 1.435 123 HB2 ALA 20 HB2 ALA 20 8.235 -0.483 1.120 124 HB3 ALA 20 HB3 ALA 20 7.595 -0.305 2.754 125 H GLY 21 HN GLY 21 7.989 -3.043 0.452 126 HA2 GLY 21 HA2 GLY 21 7.447 -2.473 -2.328 127 HA3 GLY 21 HA1 GLY 21 8.627 -3.615 -1.706 128 H GLY 22 HN GLY 22 5.215 -3.601 -0.853 129 HA2 GLY 22 HA2 GLY 22 4.985 -6.354 -1.728 130 HA3 GLY 22 HA1 GLY 22 3.762 -5.420 -0.877 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 5.137 -2.750 -6.669 2 HA2 GLY 1 HA2 GLY 1 3.157 -2.370 -7.749 3 HA3 GLY 1 HA1 GLY 1 2.362 -3.085 -6.357 4 H HIS 2 HN HIS 2 0.688 -1.720 -6.101 5 HA HIS 2 HA HIS 2 1.064 1.147 -6.178 6 HB2 HIS 2 HB2 HIS 2 -0.995 -0.040 -7.061 7 HB3 HIS 2 HB1 HIS 2 -1.429 -0.381 -5.391 8 HD1 HIS 2 HD1 HIS 2 -3.632 1.032 -6.009 9 HD2 HIS 2 HD2 HIS 2 -0.081 3.178 -5.841 10 HE1 HIS 2 HE1 HIS 2 -4.309 3.445 -5.846 11 HE2 HIS 2 HE2 HIS 2 -2.148 4.681 -5.431 12 H CYS 3 HN CYS 3 1.584 -1.208 -3.903 13 HA CYS 3 HA CYS 3 0.499 -0.123 -1.565 14 HB2 CYS 3 HB2 CYS 3 2.841 -1.939 -2.048 15 HB3 CYS 3 HB1 CYS 3 2.372 -1.436 -0.426 16 H SER 4 HN SER 4 3.158 0.966 -3.441 17 HA SER 4 HA SER 4 4.662 2.266 -1.439 18 HB2 SER 4 HB2 SER 4 4.328 3.185 -4.302 19 HB3 SER 4 HB1 SER 4 5.713 3.448 -3.241 20 HG SER 4 HG SER 4 6.131 1.747 -4.676 21 H ASP 5 HN ASP 5 1.709 2.981 -3.057 22 HA ASP 5 HA ASP 5 1.570 5.757 -2.241 23 HB2 ASP 5 HB2 ASP 5 0.632 5.096 -4.390 24 HB3 ASP 5 HB1 ASP 5 -0.388 3.899 -3.615 25 HA PRO 6 HA PRO 6 0.039 4.695 1.836 26 HB2 PRO 6 HB2 PRO 6 -1.011 7.223 2.314 27 HB3 PRO 6 HB1 PRO 6 0.649 6.727 2.649 28 HG2 PRO 6 HG2 PRO 6 -0.450 8.221 0.309 29 HG3 PRO 6 HG1 PRO 6 1.085 8.448 1.169 30 HD2 PRO 6 HD2 PRO 6 0.991 7.216 -1.205 31 HD3 PRO 6 HD1 PRO 6 2.106 6.677 0.069 32 H ARG 7 HN ARG 7 -1.859 6.161 -0.719 33 HA ARG 7 HA ARG 7 -4.409 5.997 0.492 34 HB2 ARG 7 HB2 ARG 7 -3.674 5.804 -2.437 35 HB3 ARG 7 HB1 ARG 7 -5.279 6.143 -1.803 36 HG2 ARG 7 HG2 ARG 7 -4.665 8.260 -1.052 37 HG3 ARG 7 HG1 ARG 7 -2.941 7.896 -1.150 38 HD2 ARG 7 HD2 ARG 7 -3.121 7.769 -3.593 39 HD3 ARG 7 HD1 ARG 7 -4.835 8.168 -3.482 40 HE ARG 7 HE ARG 7 -3.554 10.208 -2.186 41 HH11 ARG 7 HH11 ARG 7 -3.312 8.779 -5.354 42 HH12 ARG 7 HH12 ARG 7 -2.912 10.265 -6.151 43 HH21 ARG 7 HH21 ARG 7 -3.011 12.193 -3.215 44 HH22 ARG 7 HH22 ARG 7 -2.736 12.218 -4.923 45 H PHE 8 HN PHE 8 -2.585 3.778 -1.541 46 HA PHE 8 HA PHE 8 -4.554 1.744 -1.700 47 HB2 PHE 8 HB2 PHE 8 -2.513 2.069 -3.195 48 HB3 PHE 8 HB1 PHE 8 -1.574 1.328 -1.907 49 HD1 PHE 8 HD2 PHE 8 -4.825 0.583 -3.589 50 HD2 PHE 8 HD1 PHE 8 -1.011 -0.842 -2.358 51 HE1 PHE 8 HE2 PHE 8 -5.361 -1.634 -4.506 52 HE2 PHE 8 HE1 PHE 8 -1.539 -3.060 -3.275 53 HZ PHE 8 HZ PHE 8 -3.717 -3.460 -4.350 54 H ASN 9 HN ASN 9 -2.185 2.604 0.659 55 HA ASN 9 HA ASN 9 -2.054 0.120 2.038 56 HB2 ASN 9 HB2 ASN 9 -1.506 2.939 3.003 57 HB3 ASN 9 HB1 ASN 9 -1.123 1.481 3.911 58 HD21 ASN 9 HD21 ASN 9 -0.626 0.571 0.860 59 HD22 ASN 9 HD22 ASN 9 1.037 1.008 0.660 60 H TYR 10 HN TYR 10 -4.077 2.952 2.236 61 HA TYR 10 HA TYR 10 -5.417 2.174 4.636 62 HB2 TYR 10 HB2 TYR 10 -5.150 4.530 3.967 63 HB3 TYR 10 HB1 TYR 10 -6.178 4.243 2.567 64 HD1 TYR 10 HD2 TYR 10 -6.460 3.366 6.197 65 HD2 TYR 10 HD1 TYR 10 -8.211 5.289 2.830 66 HE1 TYR 10 HE2 TYR 10 -8.439 3.917 7.548 67 HE2 TYR 10 HE1 TYR 10 -10.194 5.847 4.173 68 HH TYR 10 HH TYR 10 -11.054 4.426 6.856 69 H ASP 11 HN ASP 11 -6.272 2.092 1.170 70 HA ASP 11 HA ASP 11 -8.853 0.969 1.749 71 HB2 ASP 11 HB2 ASP 11 -9.367 1.223 -0.474 72 HB3 ASP 11 HB1 ASP 11 -8.115 2.442 -0.295 73 H HIS 12 HN HIS 12 -5.714 -0.329 1.290 74 HA HIS 12 HA HIS 12 -6.887 -3.009 1.369 75 HB2 HIS 12 HB2 HIS 12 -4.922 -2.003 -0.648 76 HB3 HIS 12 HB1 HIS 12 -4.889 -3.698 -0.161 77 HD1 HIS 12 HD1 HIS 12 -7.450 -4.808 -0.239 78 HD2 HIS 12 HD2 HIS 12 -6.576 -1.606 -2.740 79 HE1 HIS 12 HE1 HIS 12 -9.226 -4.837 -2.031 80 HE2 HIS 12 HE2 HIS 12 -8.824 -2.719 -3.337 81 HA PRO 13 HA PRO 13 -3.617 -2.456 4.611 82 HB2 PRO 13 HB2 PRO 13 -5.098 -3.551 6.613 83 HB3 PRO 13 HB1 PRO 13 -5.151 -1.834 6.200 84 HG2 PRO 13 HG2 PRO 13 -7.044 -4.024 5.448 85 HG3 PRO 13 HG1 PRO 13 -7.399 -2.364 5.964 86 HD2 PRO 13 HD2 PRO 13 -7.458 -3.131 3.367 87 HD3 PRO 13 HD1 PRO 13 -6.999 -1.494 3.870 88 H GLU 14 HN GLU 14 -5.745 -5.145 3.748 89 HA GLU 14 HA GLU 14 -4.144 -7.150 4.976 90 HB2 GLU 14 HB2 GLU 14 -5.544 -8.762 3.885 91 HB3 GLU 14 HB1 GLU 14 -6.552 -7.453 4.472 92 HG2 GLU 14 HG2 GLU 14 -5.678 -7.873 1.619 93 HG3 GLU 14 HG1 GLU 14 -7.267 -8.238 2.284 94 H ILE 15 HN ILE 15 -4.155 -5.697 1.778 95 HA ILE 15 HA ILE 15 -2.462 -7.626 0.562 96 HB ILE 15 HB ILE 15 -3.028 -4.757 -0.198 97 HG12 ILE 15 HG12 ILE 15 -4.034 -7.415 -1.238 98 HG13 ILE 15 HG11 ILE 15 -4.967 -6.207 -0.362 99 HG21 ILE 15 HG21 ILE 15 -0.788 -5.838 -0.985 100 HG22 ILE 15 HG22 ILE 15 -1.803 -4.975 -2.141 101 HG23 ILE 15 HG23 ILE 15 -1.831 -6.738 -2.088 102 HD11 ILE 15 HD11 ILE 15 -3.737 -5.152 -2.774 103 HD12 ILE 15 HD12 ILE 15 -5.407 -5.065 -2.216 104 HD13 ILE 15 HD13 ILE 15 -4.840 -6.493 -3.083 105 H CYS 16 HN CYS 16 -1.858 -4.622 2.304 106 HA CYS 16 HA CYS 16 0.826 -5.470 2.852 107 HB2 CYS 16 HB2 CYS 16 1.742 -3.203 1.979 108 HB3 CYS 16 HB1 CYS 16 1.495 -4.528 0.850 109 H GLY 17 HN GLY 17 -1.482 -2.766 2.990 110 HA2 GLY 17 HA2 GLY 17 -2.219 -1.664 4.888 111 HA3 GLY 17 HA1 GLY 17 -1.109 -2.629 5.842 112 H GLY 18 HN GLY 18 1.289 -1.802 4.335 113 HA2 GLY 18 HA2 GLY 18 1.398 1.051 4.477 114 HA3 GLY 18 HA1 GLY 18 2.136 0.285 5.871 115 H ALA 19 HN ALA 19 2.580 1.418 2.821 116 HA ALA 19 HA ALA 19 4.314 1.581 1.389 117 HB1 ALA 19 HB1 ALA 19 5.771 2.272 3.010 118 HB2 ALA 19 HB2 ALA 19 6.610 0.854 2.379 119 HB3 ALA 19 HB3 ALA 19 5.699 0.743 3.885 120 H ALA 20 HN ALA 20 5.414 -1.359 3.036 121 HA ALA 20 HA ALA 20 5.791 -3.485 2.345 122 HB1 ALA 20 HB1 ALA 20 4.593 -3.904 -0.087 123 HB2 ALA 20 HB2 ALA 20 3.574 -2.670 0.653 124 HB3 ALA 20 HB3 ALA 20 3.865 -4.195 1.493 125 H GLY 21 HN GLY 21 5.963 -1.171 -0.346 126 HA2 GLY 21 HA2 GLY 21 7.894 -0.638 -1.559 127 HA3 GLY 21 HA1 GLY 21 8.691 -2.047 -0.874 128 H GLY 22 HN GLY 22 5.607 -1.804 -2.626 129 HA2 GLY 22 HA2 GLY 22 6.618 -2.796 -5.073 130 HA3 GLY 22 HA1 GLY 22 5.986 -4.125 -4.114 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 5.096 -5.760 -3.062 2 HA2 GLY 1 HA2 GLY 1 3.288 -5.808 -4.476 3 HA3 GLY 1 HA1 GLY 1 2.332 -5.261 -3.108 4 H HIS 2 HN HIS 2 1.856 -3.079 -2.872 5 HA HIS 2 HA HIS 2 2.926 -1.161 -4.760 6 HB2 HIS 2 HB2 HIS 2 0.052 -2.063 -4.822 7 HB3 HIS 2 HB1 HIS 2 0.509 -0.452 -5.354 8 HD1 HIS 2 HD1 HIS 2 2.713 -0.697 -7.197 9 HD2 HIS 2 HD2 HIS 2 -0.123 -3.725 -6.926 10 HE1 HIS 2 HE1 HIS 2 2.881 -1.971 -9.357 11 HE2 HIS 2 HE2 HIS 2 1.253 -3.879 -9.112 12 H CYS 3 HN CYS 3 3.139 -1.388 -1.950 13 HA CYS 3 HA CYS 3 1.244 0.301 -0.630 14 HB2 CYS 3 HB2 CYS 3 4.048 -0.429 0.241 15 HB3 CYS 3 HB1 CYS 3 2.775 0.219 1.266 16 H SER 4 HN SER 4 2.743 1.360 -3.041 17 HA SER 4 HA SER 4 4.384 3.493 -2.051 18 HB2 SER 4 HB2 SER 4 3.214 3.225 -4.823 19 HB3 SER 4 HB1 SER 4 4.685 4.076 -4.343 20 HG SER 4 HG SER 4 5.598 2.050 -3.819 21 H ASP 5 HN ASP 5 1.112 3.159 -3.342 22 HA ASP 5 HA ASP 5 0.569 5.979 -3.151 23 HB2 ASP 5 HB2 ASP 5 -0.483 4.602 -4.898 24 HB3 ASP 5 HB1 ASP 5 -1.307 3.661 -3.656 25 HA PRO 6 HA PRO 6 -0.475 5.948 1.177 26 HB2 PRO 6 HB2 PRO 6 -1.943 8.422 0.479 27 HB3 PRO 6 HB1 PRO 6 -0.653 8.173 1.660 28 HG2 PRO 6 HG2 PRO 6 -0.195 9.465 -0.634 29 HG3 PRO 6 HG1 PRO 6 1.020 8.382 0.073 30 HD2 PRO 6 HD2 PRO 6 -0.855 7.898 -2.210 31 HD3 PRO 6 HD1 PRO 6 0.849 7.426 -2.030 32 H ARG 7 HN ARG 7 -2.900 6.654 -1.306 33 HA ARG 7 HA ARG 7 -5.171 6.234 0.332 34 HB2 ARG 7 HB2 ARG 7 -4.885 5.966 -2.666 35 HB3 ARG 7 HB1 ARG 7 -6.409 6.053 -1.793 36 HG2 ARG 7 HG2 ARG 7 -6.112 8.290 -1.251 37 HG3 ARG 7 HG1 ARG 7 -4.378 8.237 -1.570 38 HD2 ARG 7 HD2 ARG 7 -6.535 7.939 -3.658 39 HD3 ARG 7 HD1 ARG 7 -5.646 9.427 -3.327 40 HE ARG 7 HE ARG 7 -3.795 7.374 -3.827 41 HH11 ARG 7 HH11 ARG 7 -6.239 9.197 -5.555 42 HH12 ARG 7 HH12 ARG 7 -5.412 9.104 -7.072 43 HH21 ARG 7 HH21 ARG 7 -2.695 7.267 -5.777 44 HH22 ARG 7 HH22 ARG 7 -3.380 7.991 -7.206 45 H PHE 8 HN PHE 8 -3.484 4.165 -1.999 46 HA PHE 8 HA PHE 8 -5.063 1.884 -1.771 47 HB2 PHE 8 HB2 PHE 8 -3.265 2.224 -3.464 48 HB3 PHE 8 HB1 PHE 8 -2.068 1.947 -2.204 49 HD1 PHE 8 HD1 PHE 8 -5.220 0.240 -3.252 50 HD2 PHE 8 HD2 PHE 8 -1.060 -0.112 -2.404 51 HE1 PHE 8 HE1 PHE 8 -5.338 -2.179 -3.681 52 HE2 PHE 8 HE2 PHE 8 -1.176 -2.529 -2.834 53 HZ PHE 8 HZ PHE 8 -3.314 -3.565 -3.474 54 H ASN 9 HN ASN 9 -2.346 2.949 0.219 55 HA ASN 9 HA ASN 9 -2.063 0.617 1.761 56 HB2 ASN 9 HB2 ASN 9 -1.391 3.503 2.299 57 HB3 ASN 9 HB1 ASN 9 -1.117 2.258 3.514 58 HD21 ASN 9 HD21 ASN 9 0.483 4.014 1.425 59 HD22 ASN 9 HD22 ASN 9 1.695 2.903 0.894 60 H TYR 10 HN TYR 10 -4.128 3.444 2.176 61 HA TYR 10 HA TYR 10 -5.169 2.542 4.698 62 HB2 TYR 10 HB2 TYR 10 -5.006 4.938 4.169 63 HB3 TYR 10 HB1 TYR 10 -6.138 4.725 2.838 64 HD1 TYR 10 HD2 TYR 10 -6.136 3.598 6.408 65 HD2 TYR 10 HD1 TYR 10 -8.147 5.735 3.328 66 HE1 TYR 10 HE2 TYR 10 -8.012 4.029 7.940 67 HE2 TYR 10 HE1 TYR 10 -10.028 6.173 4.852 68 HH TYR 10 HH TYR 10 -10.702 4.568 7.446 69 H ASP 11 HN ASP 11 -6.263 2.588 1.352 70 HA ASP 11 HA ASP 11 -8.885 1.647 1.811 71 HB2 ASP 11 HB2 ASP 11 -8.041 2.802 -0.263 72 HB3 ASP 11 HB1 ASP 11 -7.236 1.301 -0.702 73 H HIS 12 HN HIS 12 -5.861 -0.035 1.008 74 HA HIS 12 HA HIS 12 -7.160 -2.529 1.857 75 HB2 HIS 12 HB2 HIS 12 -5.555 -2.081 -0.647 76 HB3 HIS 12 HB1 HIS 12 -5.750 -3.685 0.058 77 HD1 HIS 12 HD1 HIS 12 -8.438 -4.271 0.520 78 HD2 HIS 12 HD2 HIS 12 -7.472 -1.521 -2.445 79 HE1 HIS 12 HE1 HIS 12 -10.490 -4.080 -0.927 80 HE2 HIS 12 HE2 HIS 12 -9.971 -2.160 -2.472 81 HA PRO 13 HA PRO 13 -3.139 -1.825 4.108 82 HB2 PRO 13 HB2 PRO 13 -4.161 -2.569 6.535 83 HB3 PRO 13 HB1 PRO 13 -4.159 -0.905 5.941 84 HG2 PRO 13 HG2 PRO 13 -6.368 -2.919 5.933 85 HG3 PRO 13 HG1 PRO 13 -6.433 -1.184 6.294 86 HD2 PRO 13 HD2 PRO 13 -7.208 -2.195 3.912 87 HD3 PRO 13 HD1 PRO 13 -6.459 -0.593 4.064 88 H GLU 14 HN GLU 14 -5.568 -4.374 4.083 89 HA GLU 14 HA GLU 14 -3.960 -6.413 5.201 90 HB2 GLU 14 HB2 GLU 14 -5.632 -7.952 4.502 91 HB3 GLU 14 HB1 GLU 14 -6.469 -6.480 4.957 92 HG2 GLU 14 HG2 GLU 14 -5.797 -7.153 2.106 93 HG3 GLU 14 HG1 GLU 14 -7.285 -7.675 2.885 94 H ILE 15 HN ILE 15 -4.433 -5.278 1.898 95 HA ILE 15 HA ILE 15 -2.947 -7.355 0.658 96 HB ILE 15 HB ILE 15 -3.558 -4.560 -0.322 97 HG12 ILE 15 HG12 ILE 15 -4.839 -7.243 -0.899 98 HG13 ILE 15 HG11 ILE 15 -5.551 -5.929 0.032 99 HG21 ILE 15 HG21 ILE 15 -2.745 -5.121 -2.432 100 HG22 ILE 15 HG22 ILE 15 -2.737 -6.848 -2.076 101 HG23 ILE 15 HG23 ILE 15 -1.535 -5.791 -1.337 102 HD11 ILE 15 HD11 ILE 15 -5.366 -6.309 -2.868 103 HD12 ILE 15 HD12 ILE 15 -5.035 -4.671 -2.304 104 HD13 ILE 15 HD13 ILE 15 -6.567 -5.451 -1.903 105 H CYS 16 HN CYS 16 -2.115 -4.114 1.820 106 HA CYS 16 HA CYS 16 0.564 -4.144 0.937 107 HB2 CYS 16 HB2 CYS 16 -0.601 -2.078 1.645 108 HB3 CYS 16 HB1 CYS 16 -0.600 -2.662 3.307 109 H GLY 17 HN GLY 17 -0.959 -5.101 3.990 110 HA2 GLY 17 HA2 GLY 17 1.420 -5.775 5.363 111 HA3 GLY 17 HA1 GLY 17 -0.192 -6.366 5.746 112 H GLY 18 HN GLY 18 -0.816 -7.708 3.406 113 HA2 GLY 18 HA2 GLY 18 0.441 -10.201 3.812 114 HA3 GLY 18 HA1 GLY 18 -0.605 -9.788 2.462 115 H ALA 19 HN ALA 19 1.065 -7.590 1.569 116 HA ALA 19 HA ALA 19 2.841 -9.063 -0.114 117 HB1 ALA 19 HB1 ALA 19 3.413 -6.856 -1.047 118 HB2 ALA 19 HB2 ALA 19 2.462 -6.092 0.227 119 HB3 ALA 19 HB3 ALA 19 1.672 -7.125 -0.965 120 H ALA 20 HN ALA 20 3.160 -8.075 3.012 121 HA ALA 20 HA ALA 20 4.869 -7.846 4.477 122 HB1 ALA 20 HB1 ALA 20 5.957 -9.559 2.348 123 HB2 ALA 20 HB2 ALA 20 5.893 -9.811 4.092 124 HB3 ALA 20 HB3 ALA 20 7.155 -8.796 3.394 125 H GLY 21 HN GLY 21 4.283 -5.552 3.168 126 HA2 GLY 21 HA2 GLY 21 5.170 -3.426 2.996 127 HA3 GLY 21 HA1 GLY 21 6.739 -4.097 3.423 128 H GLY 22 HN GLY 22 4.600 -4.897 0.732 129 HA2 GLY 22 HA2 GLY 22 6.411 -3.632 -1.167 130 HA3 GLY 22 HA1 GLY 22 6.265 -5.384 -1.269 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 4.805 -3.669 -4.025 2 HA2 GLY 1 HA2 GLY 1 3.286 -4.240 -6.091 3 HA3 GLY 1 HA1 GLY 1 2.087 -4.408 -4.816 4 H HIS 2 HN HIS 2 0.779 -2.710 -5.203 5 HA HIS 2 HA HIS 2 1.832 -0.080 -5.803 6 HB2 HIS 2 HB2 HIS 2 -0.281 -0.986 -6.810 7 HB3 HIS 2 HB1 HIS 2 -1.021 -0.926 -5.218 8 HD1 HIS 2 HD1 HIS 2 0.812 1.622 -7.410 9 HD2 HIS 2 HD2 HIS 2 -2.563 1.255 -5.017 10 HE1 HIS 2 HE1 HIS 2 -0.331 3.859 -7.509 11 HE2 HIS 2 HE2 HIS 2 -2.193 3.688 -5.812 12 H CYS 3 HN CYS 3 2.377 -1.477 -3.233 13 HA CYS 3 HA CYS 3 0.989 -0.313 -1.095 14 HB2 CYS 3 HB2 CYS 3 3.870 -1.100 -0.898 15 HB3 CYS 3 HB1 CYS 3 2.568 -1.338 0.265 16 H SER 4 HN SER 4 3.426 0.983 -3.162 17 HA SER 4 HA SER 4 4.595 2.890 -1.470 18 HB2 SER 4 HB2 SER 4 5.484 2.295 -3.707 19 HB3 SER 4 HB1 SER 4 4.103 3.098 -4.454 20 HG SER 4 HG SER 4 5.099 4.865 -2.831 21 H ASP 5 HN ASP 5 1.519 2.732 -2.983 22 HA ASP 5 HA ASP 5 0.866 5.529 -2.764 23 HB2 ASP 5 HB2 ASP 5 -0.099 4.116 -4.526 24 HB3 ASP 5 HB1 ASP 5 -0.820 3.071 -3.315 25 HA PRO 6 HA PRO 6 0.081 5.050 1.660 26 HB2 PRO 6 HB2 PRO 6 -0.917 7.607 1.956 27 HB3 PRO 6 HB1 PRO 6 0.795 7.183 2.029 28 HG2 PRO 6 HG2 PRO 6 -0.784 8.310 -0.242 29 HG3 PRO 6 HG1 PRO 6 0.866 8.698 0.280 30 HD2 PRO 6 HD2 PRO 6 0.387 7.121 -1.843 31 HD3 PRO 6 HD1 PRO 6 1.766 6.835 -0.760 32 H ARG 7 HN ARG 7 -2.152 6.265 -0.743 33 HA ARG 7 HA ARG 7 -4.513 6.101 0.834 34 HB2 ARG 7 HB2 ARG 7 -4.375 7.484 -1.167 35 HB3 ARG 7 HB1 ARG 7 -4.076 6.065 -2.157 36 HG2 ARG 7 HG2 ARG 7 -6.409 5.330 -1.132 37 HG3 ARG 7 HG1 ARG 7 -6.600 7.082 -1.010 38 HD2 ARG 7 HD2 ARG 7 -7.445 6.238 -3.152 39 HD3 ARG 7 HD1 ARG 7 -6.063 7.316 -3.380 40 HE ARG 7 HE ARG 7 -4.852 5.553 -4.202 41 HH11 ARG 7 HH11 ARG 7 -7.771 4.340 -2.718 42 HH12 ARG 7 HH12 ARG 7 -7.405 2.667 -3.021 43 HH21 ARG 7 HH21 ARG 7 -4.345 3.368 -4.601 44 HH22 ARG 7 HH22 ARG 7 -5.454 2.123 -4.113 45 H PHE 8 HN PHE 8 -2.801 3.937 -1.325 46 HA PHE 8 HA PHE 8 -4.711 1.850 -1.432 47 HB2 PHE 8 HB2 PHE 8 -2.749 2.175 -2.995 48 HB3 PHE 8 HB1 PHE 8 -1.713 1.564 -1.711 49 HD1 PHE 8 HD2 PHE 8 -4.972 0.520 -3.208 50 HD2 PHE 8 HD1 PHE 8 -1.018 -0.587 -2.093 51 HE1 PHE 8 HE2 PHE 8 -5.398 -1.776 -3.981 52 HE2 PHE 8 HE1 PHE 8 -1.437 -2.882 -2.863 53 HZ PHE 8 HZ PHE 8 -3.629 -3.479 -3.810 54 H ASN 9 HN ASN 9 -2.236 2.728 0.843 55 HA ASN 9 HA ASN 9 -2.050 0.280 2.253 56 HB2 ASN 9 HB2 ASN 9 -1.602 3.113 3.234 57 HB3 ASN 9 HB1 ASN 9 -1.139 1.663 4.109 58 HD21 ASN 9 HD21 ASN 9 -0.571 0.734 1.107 59 HD22 ASN 9 HD22 ASN 9 1.049 1.297 0.887 60 H TYR 10 HN TYR 10 -4.270 2.942 2.308 61 HA TYR 10 HA TYR 10 -5.545 2.122 4.763 62 HB2 TYR 10 HB2 TYR 10 -5.295 4.502 4.196 63 HB3 TYR 10 HB1 TYR 10 -6.315 4.269 2.781 64 HD1 TYR 10 HD1 TYR 10 -6.616 3.212 6.358 65 HD2 TYR 10 HD2 TYR 10 -8.347 5.306 3.084 66 HE1 TYR 10 HE1 TYR 10 -8.608 3.683 7.721 67 HE2 TYR 10 HE2 TYR 10 -10.343 5.784 4.438 68 HH TYR 10 HH TYR 10 -11.193 4.211 7.080 69 H ASP 11 HN ASP 11 -6.434 2.173 1.287 70 HA ASP 11 HA ASP 11 -9.000 1.030 1.865 71 HB2 ASP 11 HB2 ASP 11 -9.483 1.084 -0.447 72 HB3 ASP 11 HB1 ASP 11 -8.565 2.540 -0.103 73 H HIS 12 HN HIS 12 -5.883 -0.284 1.269 74 HA HIS 12 HA HIS 12 -7.051 -2.957 1.433 75 HB2 HIS 12 HB2 HIS 12 -5.271 -1.973 -0.776 76 HB3 HIS 12 HB1 HIS 12 -5.311 -3.679 -0.334 77 HD1 HIS 12 HD1 HIS 12 -7.901 -4.677 -0.273 78 HD2 HIS 12 HD2 HIS 12 -7.124 -1.334 -2.634 79 HE1 HIS 12 HE1 HIS 12 -9.817 -4.531 -1.905 80 HE2 HIS 12 HE2 HIS 12 -9.434 -2.371 -3.147 81 HA PRO 13 HA PRO 13 -3.289 -2.291 4.147 82 HB2 PRO 13 HB2 PRO 13 -4.499 -3.107 6.448 83 HB3 PRO 13 HB1 PRO 13 -4.485 -1.426 5.904 84 HG2 PRO 13 HG2 PRO 13 -6.640 -3.483 5.649 85 HG3 PRO 13 HG1 PRO 13 -6.775 -1.766 6.070 86 HD2 PRO 13 HD2 PRO 13 -7.324 -2.703 3.593 87 HD3 PRO 13 HD1 PRO 13 -6.643 -1.088 3.872 88 H GLU 14 HN GLU 14 -5.675 -4.815 3.710 89 HA GLU 14 HA GLU 14 -4.220 -6.911 4.944 90 HB2 GLU 14 HB2 GLU 14 -5.830 -8.394 4.043 91 HB3 GLU 14 HB1 GLU 14 -6.694 -6.913 4.413 92 HG2 GLU 14 HG2 GLU 14 -5.695 -7.572 1.656 93 HG3 GLU 14 HG1 GLU 14 -7.279 -8.063 2.245 94 H ILE 15 HN ILE 15 -4.237 -5.599 1.681 95 HA ILE 15 HA ILE 15 -2.758 -7.711 0.497 96 HB ILE 15 HB ILE 15 -3.056 -4.834 -0.384 97 HG12 ILE 15 HG12 ILE 15 -4.459 -7.380 -1.231 98 HG13 ILE 15 HG11 ILE 15 -5.169 -6.058 -0.311 99 HG21 ILE 15 HG21 ILE 15 -2.398 -6.880 -2.385 100 HG22 ILE 15 HG22 ILE 15 -1.107 -6.525 -1.238 101 HG23 ILE 15 HG23 ILE 15 -1.803 -5.229 -2.209 102 HD11 ILE 15 HD11 ILE 15 -4.653 -4.596 -2.325 103 HD12 ILE 15 HD12 ILE 15 -5.947 -5.783 -2.497 104 HD13 ILE 15 HD13 ILE 15 -4.359 -6.101 -3.195 105 H CYS 16 HN CYS 16 -1.758 -4.464 1.601 106 HA CYS 16 HA CYS 16 0.660 -5.419 2.691 107 HB2 CYS 16 HB2 CYS 16 2.257 -4.363 1.123 108 HB3 CYS 16 HB1 CYS 16 1.374 -5.698 0.396 109 H GLY 17 HN GLY 17 -1.290 -3.867 3.752 110 HA2 GLY 17 HA2 GLY 17 -0.810 -1.070 3.541 111 HA3 GLY 17 HA1 GLY 17 -1.662 -1.876 4.854 112 H GLY 18 HN GLY 18 0.165 -3.470 5.976 113 HA2 GLY 18 HA2 GLY 18 1.920 -1.583 7.288 114 HA3 GLY 18 HA1 GLY 18 1.724 -3.285 7.693 115 H ALA 19 HN ALA 19 2.278 -4.502 5.331 116 HA ALA 19 HA ALA 19 5.152 -4.168 5.149 117 HB1 ALA 19 HB1 ALA 19 4.142 -6.156 3.353 118 HB2 ALA 19 HB2 ALA 19 3.375 -6.345 4.929 119 HB3 ALA 19 HB3 ALA 19 5.133 -6.365 4.796 120 H ALA 20 HN ALA 20 4.559 -1.963 4.191 121 HA ALA 20 HA ALA 20 3.573 -1.779 1.548 122 HB1 ALA 20 HB1 ALA 20 5.375 0.312 2.659 123 HB2 ALA 20 HB2 ALA 20 3.823 0.011 3.443 124 HB3 ALA 20 HB3 ALA 20 3.876 0.479 1.743 125 H GLY 21 HN GLY 21 5.048 -3.631 0.790 126 HA2 GLY 21 HA2 GLY 21 7.080 -2.459 -0.868 127 HA3 GLY 21 HA1 GLY 21 7.753 -3.474 0.397 128 H GLY 22 HN GLY 22 4.836 -3.827 -1.626 129 HA2 GLY 22 HA2 GLY 22 6.003 -5.984 -3.126 130 HA3 GLY 22 HA1 GLY 22 4.858 -6.536 -1.915 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 2.454 -5.236 -6.679 2 HA2 GLY 1 HA2 GLY 1 3.581 -4.165 -4.271 3 HA3 GLY 1 HA1 GLY 1 4.317 -4.148 -5.865 4 H HIS 2 HN HIS 2 1.361 -2.698 -4.486 5 HA HIS 2 HA HIS 2 2.327 -0.098 -5.499 6 HB2 HIS 2 HB2 HIS 2 0.298 -1.122 -6.664 7 HB3 HIS 2 HB1 HIS 2 -0.578 -0.867 -5.161 8 HD1 HIS 2 HD1 HIS 2 1.647 1.385 -7.301 9 HD2 HIS 2 HD2 HIS 2 -2.051 1.372 -5.408 10 HE1 HIS 2 HE1 HIS 2 0.654 3.648 -7.749 11 HE2 HIS 2 HE2 HIS 2 -1.442 3.708 -6.352 12 H CYS 3 HN CYS 3 2.861 -1.291 -2.937 13 HA CYS 3 HA CYS 3 1.177 -0.198 -0.927 14 HB2 CYS 3 HB2 CYS 3 2.715 -2.148 -0.605 15 HB3 CYS 3 HB1 CYS 3 4.074 -1.031 -0.665 16 H SER 4 HN SER 4 3.398 1.238 -2.999 17 HA SER 4 HA SER 4 4.437 3.255 -1.287 18 HB2 SER 4 HB2 SER 4 4.818 4.365 -3.645 19 HB3 SER 4 HB1 SER 4 5.747 2.942 -3.171 20 HG SER 4 HG SER 4 4.869 2.698 -5.259 21 H ASP 5 HN ASP 5 1.446 2.788 -2.873 22 HA ASP 5 HA ASP 5 0.692 5.573 -2.997 23 HB2 ASP 5 HB2 ASP 5 -0.102 3.631 -4.515 24 HB3 ASP 5 HB1 ASP 5 -1.189 3.234 -3.192 25 HA PRO 6 HA PRO 6 -0.464 5.632 1.346 26 HB2 PRO 6 HB2 PRO 6 -1.690 8.210 0.576 27 HB3 PRO 6 HB1 PRO 6 -0.470 7.869 1.807 28 HG2 PRO 6 HG2 PRO 6 0.169 9.114 -0.474 29 HG3 PRO 6 HG1 PRO 6 1.276 7.960 0.293 30 HD2 PRO 6 HD2 PRO 6 -0.528 7.576 -2.065 31 HD3 PRO 6 HD1 PRO 6 1.132 6.998 -1.810 32 H ARG 7 HN ARG 7 -2.608 6.421 -1.329 33 HA ARG 7 HA ARG 7 -5.045 6.222 0.128 34 HB2 ARG 7 HB2 ARG 7 -4.594 5.860 -2.838 35 HB3 ARG 7 HB1 ARG 7 -6.116 6.251 -2.049 36 HG2 ARG 7 HG2 ARG 7 -5.416 8.419 -1.523 37 HG3 ARG 7 HG1 ARG 7 -3.721 8.041 -1.839 38 HD2 ARG 7 HD2 ARG 7 -5.925 8.136 -3.896 39 HD3 ARG 7 HD1 ARG 7 -4.699 9.379 -3.641 40 HE ARG 7 HE ARG 7 -3.416 6.909 -4.095 41 HH11 ARG 7 HH11 ARG 7 -5.310 9.316 -5.804 42 HH12 ARG 7 HH12 ARG 7 -4.606 8.964 -7.345 43 HH21 ARG 7 HH21 ARG 7 -2.489 6.432 -6.113 44 HH22 ARG 7 HH22 ARG 7 -2.993 7.320 -7.525 45 H PHE 8 HN PHE 8 -3.182 4.030 -1.890 46 HA PHE 8 HA PHE 8 -4.963 1.868 -1.956 47 HB2 PHE 8 HB2 PHE 8 -2.859 2.190 -3.336 48 HB3 PHE 8 HB1 PHE 8 -1.950 1.652 -1.929 49 HD1 PHE 8 HD2 PHE 8 -5.064 0.464 -3.611 50 HD2 PHE 8 HD1 PHE 8 -1.151 -0.469 -2.225 51 HE1 PHE 8 HE2 PHE 8 -5.370 -1.869 -4.327 52 HE2 PHE 8 HE1 PHE 8 -1.449 -2.803 -2.940 53 HZ PHE 8 HZ PHE 8 -3.562 -3.504 -3.992 54 H ASN 9 HN ASN 9 -2.409 2.698 0.350 55 HA ASN 9 HA ASN 9 -2.654 0.356 1.926 56 HB2 ASN 9 HB2 ASN 9 -1.535 3.084 2.571 57 HB3 ASN 9 HB1 ASN 9 -1.482 1.727 3.693 58 HD21 ASN 9 HD21 ASN 9 0.405 3.371 1.785 59 HD22 ASN 9 HD22 ASN 9 1.451 2.140 1.172 60 H TYR 10 HN TYR 10 -4.328 3.414 1.909 61 HA TYR 10 HA TYR 10 -5.543 3.086 4.468 62 HB2 TYR 10 HB2 TYR 10 -5.268 5.301 3.436 63 HB3 TYR 10 HB1 TYR 10 -6.357 4.835 2.134 64 HD1 TYR 10 HD2 TYR 10 -6.534 4.513 5.858 65 HD2 TYR 10 HD1 TYR 10 -8.339 5.995 2.302 66 HE1 TYR 10 HE2 TYR 10 -8.448 5.321 7.173 67 HE2 TYR 10 HE1 TYR 10 -10.257 6.808 3.608 68 HH TYR 10 HH TYR 10 -11.193 5.864 6.280 69 H ASP 11 HN ASP 11 -6.610 2.555 1.133 70 HA ASP 11 HA ASP 11 -9.208 1.640 1.873 71 HB2 ASP 11 HB2 ASP 11 -8.686 2.680 -0.322 72 HB3 ASP 11 HB1 ASP 11 -7.746 1.255 -0.747 73 H HIS 12 HN HIS 12 -6.166 -0.008 1.042 74 HA HIS 12 HA HIS 12 -7.317 -2.455 2.182 75 HB2 HIS 12 HB2 HIS 12 -5.946 -2.313 -0.505 76 HB3 HIS 12 HB1 HIS 12 -6.270 -3.813 0.356 77 HD1 HIS 12 HD1 HIS 12 -8.952 -4.179 0.911 78 HD2 HIS 12 HD2 HIS 12 -7.914 -1.560 -2.153 79 HE1 HIS 12 HE1 HIS 12 -11.061 -3.804 -0.413 80 HE2 HIS 12 HE2 HIS 12 -10.457 -1.959 -2.025 81 HA PRO 13 HA PRO 13 -3.011 -1.568 3.783 82 HB2 PRO 13 HB2 PRO 13 -3.659 -2.249 6.360 83 HB3 PRO 13 HB1 PRO 13 -3.770 -0.605 5.725 84 HG2 PRO 13 HG2 PRO 13 -5.925 -2.643 6.100 85 HG3 PRO 13 HG1 PRO 13 -5.968 -0.898 6.404 86 HD2 PRO 13 HD2 PRO 13 -7.066 -2.003 4.200 87 HD3 PRO 13 HD1 PRO 13 -6.322 -0.391 4.179 88 H GLU 14 HN GLU 14 -5.363 -4.061 4.120 89 HA GLU 14 HA GLU 14 -3.974 -6.191 5.188 90 HB2 GLU 14 HB2 GLU 14 -5.647 -7.567 3.933 91 HB3 GLU 14 HB1 GLU 14 -6.357 -6.239 4.845 92 HG2 GLU 14 HG2 GLU 14 -6.032 -4.982 2.529 93 HG3 GLU 14 HG1 GLU 14 -6.137 -6.630 1.916 94 H ILE 15 HN ILE 15 -4.103 -5.084 1.828 95 HA ILE 15 HA ILE 15 -2.802 -7.258 0.653 96 HB ILE 15 HB ILE 15 -2.935 -4.381 -0.243 97 HG12 ILE 15 HG12 ILE 15 -4.505 -6.854 -1.009 98 HG13 ILE 15 HG11 ILE 15 -5.100 -5.505 -0.048 99 HG21 ILE 15 HG21 ILE 15 -2.057 -6.815 -1.797 100 HG22 ILE 15 HG22 ILE 15 -1.026 -5.476 -1.292 101 HG23 ILE 15 HG23 ILE 15 -2.313 -5.203 -2.468 102 HD11 ILE 15 HD11 ILE 15 -5.975 -4.930 -2.049 103 HD12 ILE 15 HD12 ILE 15 -4.698 -5.729 -2.965 104 HD13 ILE 15 HD13 ILE 15 -4.400 -4.157 -2.223 105 H CYS 16 HN CYS 16 -1.407 -4.176 1.812 106 HA CYS 16 HA CYS 16 1.254 -5.058 1.171 107 HB2 CYS 16 HB2 CYS 16 0.561 -2.640 1.177 108 HB3 CYS 16 HB1 CYS 16 0.469 -2.728 2.933 109 H GLY 17 HN GLY 17 -0.775 -4.922 4.030 110 HA2 GLY 17 HA2 GLY 17 1.175 -5.479 5.970 111 HA3 GLY 17 HA1 GLY 17 -0.542 -5.795 6.129 112 H GLY 18 HN GLY 18 -0.916 -7.749 4.155 113 HA2 GLY 18 HA2 GLY 18 1.051 -9.811 4.387 114 HA3 GLY 18 HA1 GLY 18 -0.273 -10.063 5.511 115 H ALA 19 HN ALA 19 0.199 -9.240 2.077 116 HA ALA 19 HA ALA 19 -1.453 -11.484 1.303 117 HB1 ALA 19 HB1 ALA 19 -3.216 -10.363 0.320 118 HB2 ALA 19 HB2 ALA 19 -2.330 -8.842 0.217 119 HB3 ALA 19 HB3 ALA 19 -2.944 -9.401 1.773 120 H ALA 20 HN ALA 20 0.233 -8.554 0.290 121 HA ALA 20 HA ALA 20 1.624 -8.075 -1.433 122 HB1 ALA 20 HB1 ALA 20 2.039 -11.057 -1.352 123 HB2 ALA 20 HB2 ALA 20 3.032 -9.808 -0.602 124 HB3 ALA 20 HB3 ALA 20 2.986 -9.960 -2.358 125 H GLY 21 HN GLY 21 -1.108 -8.295 -2.034 126 HA2 GLY 21 HA2 GLY 21 -1.609 -9.787 -4.392 127 HA3 GLY 21 HA1 GLY 21 -2.571 -8.441 -3.798 128 H GLY 22 HN GLY 22 -0.238 -6.637 -3.816 129 HA2 GLY 22 HA2 GLY 22 0.677 -6.474 -6.529 130 HA3 GLY 22 HA1 GLY 22 -0.586 -5.305 -6.166 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 1.689 -4.844 -5.967 2 HA2 GLY 1 HA2 GLY 1 -1.041 -4.497 -5.373 3 HA3 GLY 1 HA1 GLY 1 -0.103 -4.239 -3.910 4 H HIS 2 HN HIS 2 -0.237 -2.123 -3.603 5 HA HIS 2 HA HIS 2 1.136 -0.344 -5.419 6 HB2 HIS 2 HB2 HIS 2 -1.154 -0.505 -6.381 7 HB3 HIS 2 HB1 HIS 2 -1.828 0.002 -4.845 8 HD1 HIS 2 HD1 HIS 2 0.821 1.534 -7.149 9 HD2 HIS 2 HD2 HIS 2 -2.664 2.521 -5.116 10 HE1 HIS 2 HE1 HIS 2 0.410 3.966 -7.652 11 HE2 HIS 2 HE2 HIS 2 -1.555 4.593 -6.190 12 H CYS 3 HN CYS 3 1.501 -1.312 -2.773 13 HA CYS 3 HA CYS 3 0.605 0.372 -0.734 14 HB2 CYS 3 HB2 CYS 3 3.180 -1.201 -0.839 15 HB3 CYS 3 HB1 CYS 3 2.394 -0.589 0.613 16 H SER 4 HN SER 4 2.956 0.994 -3.149 17 HA SER 4 HA SER 4 4.654 2.780 -1.798 18 HB2 SER 4 HB2 SER 4 3.856 3.095 -4.687 19 HB3 SER 4 HB1 SER 4 5.428 3.393 -3.941 20 HG SER 4 HG SER 4 5.912 1.350 -4.139 21 H ASP 5 HN ASP 5 1.456 3.036 -3.025 22 HA ASP 5 HA ASP 5 1.340 5.941 -2.715 23 HB2 ASP 5 HB2 ASP 5 0.429 4.972 -4.761 24 HB3 ASP 5 HB1 ASP 5 -0.605 3.907 -3.827 25 HA PRO 6 HA PRO 6 -0.194 5.416 1.459 26 HB2 PRO 6 HB2 PRO 6 -1.317 7.944 1.598 27 HB3 PRO 6 HB1 PRO 6 0.369 7.561 1.959 28 HG2 PRO 6 HG2 PRO 6 -0.835 8.646 -0.555 29 HG3 PRO 6 HG1 PRO 6 0.686 9.092 0.245 30 HD2 PRO 6 HD2 PRO 6 0.681 7.517 -1.912 31 HD3 PRO 6 HD1 PRO 6 1.804 7.218 -0.567 32 H ARG 7 HN ARG 7 -2.126 6.521 -1.252 33 HA ARG 7 HA ARG 7 -4.666 6.424 -0.026 34 HB2 ARG 7 HB2 ARG 7 -3.943 5.951 -2.923 35 HB3 ARG 7 HB1 ARG 7 -5.543 6.349 -2.313 36 HG2 ARG 7 HG2 ARG 7 -4.883 8.528 -1.716 37 HG3 ARG 7 HG1 ARG 7 -3.173 8.148 -1.926 38 HD2 ARG 7 HD2 ARG 7 -4.013 9.465 -3.798 39 HD3 ARG 7 HD1 ARG 7 -3.527 7.854 -4.323 40 HE ARG 7 HE ARG 7 -6.279 7.871 -3.714 41 HH11 ARG 7 HH11 ARG 7 -4.005 8.996 -6.108 42 HH12 ARG 7 HH12 ARG 7 -5.162 9.026 -7.396 43 HH21 ARG 7 HH21 ARG 7 -7.832 7.896 -5.409 44 HH22 ARG 7 HH22 ARG 7 -7.353 8.396 -6.996 45 H PHE 8 HN PHE 8 -2.868 4.011 -1.898 46 HA PHE 8 HA PHE 8 -4.861 2.009 -1.801 47 HB2 PHE 8 HB2 PHE 8 -2.915 2.042 -3.387 48 HB3 PHE 8 HB1 PHE 8 -1.885 1.555 -2.044 49 HD1 PHE 8 HD2 PHE 8 -4.992 0.521 -3.816 50 HD2 PHE 8 HD1 PHE 8 -1.524 -0.693 -1.670 51 HE1 PHE 8 HE2 PHE 8 -5.545 -1.832 -4.263 52 HE2 PHE 8 HE1 PHE 8 -2.071 -3.050 -2.115 53 HZ PHE 8 HZ PHE 8 -4.085 -3.622 -3.413 54 H ASN 9 HN ASN 9 -2.274 2.895 0.388 55 HA ASN 9 HA ASN 9 -2.247 0.584 1.983 56 HB2 ASN 9 HB2 ASN 9 -1.529 3.455 2.521 57 HB3 ASN 9 HB1 ASN 9 -1.472 2.257 3.811 58 HD21 ASN 9 HD21 ASN 9 0.257 3.718 1.397 59 HD22 ASN 9 HD22 ASN 9 1.546 2.581 1.244 60 H TYR 10 HN TYR 10 -4.324 3.390 1.954 61 HA TYR 10 HA TYR 10 -5.710 2.660 4.374 62 HB2 TYR 10 HB2 TYR 10 -5.470 5.024 3.705 63 HB3 TYR 10 HB1 TYR 10 -6.399 4.701 2.245 64 HD1 TYR 10 HD2 TYR 10 -6.909 3.806 5.840 65 HD2 TYR 10 HD1 TYR 10 -8.455 5.731 2.376 66 HE1 TYR 10 HE2 TYR 10 -8.986 4.312 7.055 67 HE2 TYR 10 HE1 TYR 10 -10.536 6.244 3.581 68 HH TYR 10 HH TYR 10 -11.589 4.794 6.123 69 H ASP 11 HN ASP 11 -6.239 2.504 0.907 70 HA ASP 11 HA ASP 11 -8.890 1.563 0.905 71 HB2 ASP 11 HB2 ASP 11 -7.794 2.533 -1.061 72 HB3 ASP 11 HB1 ASP 11 -6.676 1.179 -1.126 73 H HIS 12 HN HIS 12 -5.819 -0.247 0.547 74 HA HIS 12 HA HIS 12 -7.212 -2.604 1.616 75 HB2 HIS 12 HB2 HIS 12 -5.521 -2.551 -0.889 76 HB3 HIS 12 HB1 HIS 12 -5.991 -4.030 -0.057 77 HD1 HIS 12 HD1 HIS 12 -8.695 -4.366 0.157 78 HD2 HIS 12 HD2 HIS 12 -7.310 -1.683 -2.706 79 HE1 HIS 12 HE1 HIS 12 -10.649 -3.927 -1.371 80 HE2 HIS 12 HE2 HIS 12 -9.854 -2.062 -2.871 81 HA PRO 13 HA PRO 13 -3.149 -1.876 3.769 82 HB2 PRO 13 HB2 PRO 13 -4.153 -2.408 6.251 83 HB3 PRO 13 HB1 PRO 13 -4.156 -0.794 5.531 84 HG2 PRO 13 HG2 PRO 13 -6.367 -2.803 5.695 85 HG3 PRO 13 HG1 PRO 13 -6.427 -1.049 5.943 86 HD2 PRO 13 HD2 PRO 13 -7.234 -2.212 3.642 87 HD3 PRO 13 HD1 PRO 13 -6.482 -0.604 3.678 88 H GLU 14 HN GLU 14 -5.457 -4.327 3.408 89 HA GLU 14 HA GLU 14 -4.458 -6.444 4.914 90 HB2 GLU 14 HB2 GLU 14 -5.652 -7.854 3.193 91 HB3 GLU 14 HB1 GLU 14 -6.628 -6.590 3.935 92 HG2 GLU 14 HG2 GLU 14 -5.997 -5.165 1.909 93 HG3 GLU 14 HG1 GLU 14 -5.456 -6.672 1.176 94 H ILE 15 HN ILE 15 -3.753 -5.569 1.536 95 HA ILE 15 HA ILE 15 -1.962 -7.683 1.034 96 HB ILE 15 HB ILE 15 -2.125 -4.977 -0.303 97 HG12 ILE 15 HG12 ILE 15 -3.387 -7.635 -1.022 98 HG13 ILE 15 HG11 ILE 15 -4.235 -6.232 -0.382 99 HG21 ILE 15 HG21 ILE 15 -1.014 -7.483 -1.525 100 HG22 ILE 15 HG22 ILE 15 0.003 -6.369 -0.611 101 HG23 ILE 15 HG23 ILE 15 -0.831 -5.812 -2.062 102 HD11 ILE 15 HD11 ILE 15 -4.201 -6.786 -2.953 103 HD12 ILE 15 HD12 ILE 15 -2.681 -5.895 -2.884 104 HD13 ILE 15 HD13 ILE 15 -4.180 -5.124 -2.365 105 H CYS 16 HN CYS 16 -1.379 -4.297 1.899 106 HA CYS 16 HA CYS 16 1.438 -4.522 1.970 107 HB2 CYS 16 HB2 CYS 16 -0.244 -2.494 3.444 108 HB3 CYS 16 HB1 CYS 16 1.410 -2.306 2.867 109 H GLY 17 HN GLY 17 -1.073 -5.090 4.324 110 HA2 GLY 17 HA2 GLY 17 0.589 -5.076 6.630 111 HA3 GLY 17 HA1 GLY 17 -1.030 -5.743 6.518 112 H GLY 18 HN GLY 18 -0.695 -7.767 4.640 113 HA2 GLY 18 HA2 GLY 18 1.594 -9.365 5.356 114 HA3 GLY 18 HA1 GLY 18 0.115 -9.899 6.136 115 H ALA 19 HN ALA 19 0.769 -8.680 2.861 116 HA ALA 19 HA ALA 19 0.234 -11.299 1.732 117 HB1 ALA 19 HB1 ALA 19 -1.405 -9.200 0.470 118 HB2 ALA 19 HB2 ALA 19 -1.939 -9.725 2.066 119 HB3 ALA 19 HB3 ALA 19 -1.767 -10.901 0.764 120 H ALA 20 HN ALA 20 2.584 -10.070 1.752 121 HA ALA 20 HA ALA 20 3.146 -8.268 -0.321 122 HB1 ALA 20 HB1 ALA 20 4.873 -8.356 1.163 123 HB2 ALA 20 HB2 ALA 20 5.506 -9.439 -0.076 124 HB3 ALA 20 HB3 ALA 20 4.751 -10.102 1.374 125 H GLY 21 HN GLY 21 3.383 -8.494 -2.428 126 HA2 GLY 21 HA2 GLY 21 4.434 -10.607 -3.851 127 HA3 GLY 21 HA1 GLY 21 2.706 -10.924 -3.741 128 H GLY 22 HN GLY 22 1.682 -8.398 -3.857 129 HA2 GLY 22 HA2 GLY 22 2.730 -6.795 -5.943 130 HA3 GLY 22 HA1 GLY 22 1.493 -7.878 -6.573 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 5.276 -5.365 -5.270 2 HA2 GLY 1 HA2 GLY 1 3.184 -5.288 -6.215 3 HA3 GLY 1 HA1 GLY 1 2.621 -4.738 -4.641 4 H HIS 2 HN HIS 2 1.781 -2.782 -4.539 5 HA HIS 2 HA HIS 2 2.768 -0.633 -6.215 6 HB2 HIS 2 HB2 HIS 2 -0.029 -1.739 -6.449 7 HB3 HIS 2 HB1 HIS 2 0.307 -0.049 -6.803 8 HD1 HIS 2 HD1 HIS 2 2.591 0.047 -8.577 9 HD2 HIS 2 HD2 HIS 2 -0.052 -3.158 -8.734 10 HE1 HIS 2 HE1 HIS 2 2.904 -0.972 -10.853 11 HE2 HIS 2 HE2 HIS 2 1.386 -2.984 -10.878 12 H CYS 3 HN CYS 3 2.723 -1.392 -3.421 13 HA CYS 3 HA CYS 3 0.793 0.264 -2.086 14 HB2 CYS 3 HB2 CYS 3 3.262 -1.016 -0.917 15 HB3 CYS 3 HB1 CYS 3 1.808 -0.509 -0.060 16 H SER 4 HN SER 4 2.556 1.607 -3.974 17 HA SER 4 HA SER 4 4.413 3.187 -2.447 18 HB2 SER 4 HB2 SER 4 3.337 3.788 -5.210 19 HB3 SER 4 HB1 SER 4 4.873 4.303 -4.513 20 HG SER 4 HG SER 4 5.715 2.373 -4.877 21 H ASP 5 HN ASP 5 1.161 3.363 -3.623 22 HA ASP 5 HA ASP 5 0.692 6.111 -2.990 23 HB2 ASP 5 HB2 ASP 5 -0.563 4.937 -4.747 24 HB3 ASP 5 HB1 ASP 5 -1.204 3.813 -3.557 25 HA PRO 6 HA PRO 6 0.408 5.460 1.424 26 HB2 PRO 6 HB2 PRO 6 -0.914 7.840 1.942 27 HB3 PRO 6 HB1 PRO 6 0.837 7.656 1.816 28 HG2 PRO 6 HG2 PRO 6 -1.122 8.612 -0.226 29 HG3 PRO 6 HG1 PRO 6 0.513 9.201 0.125 30 HD2 PRO 6 HD2 PRO 6 0.014 7.635 -1.993 31 HD3 PRO 6 HD1 PRO 6 1.522 7.485 -1.067 32 H ARG 7 HN ARG 7 -2.371 6.610 -0.429 33 HA ARG 7 HA ARG 7 -4.320 5.869 1.490 34 HB2 ARG 7 HB2 ARG 7 -5.063 7.493 0.018 35 HB3 ARG 7 HB1 ARG 7 -4.340 6.718 -1.376 36 HG2 ARG 7 HG2 ARG 7 -6.645 5.398 -0.013 37 HG3 ARG 7 HG1 ARG 7 -6.933 6.781 -1.073 38 HD2 ARG 7 HD2 ARG 7 -5.717 4.115 -1.759 39 HD3 ARG 7 HD1 ARG 7 -7.146 4.882 -2.456 40 HE ARG 7 HE ARG 7 -4.351 5.460 -3.075 41 HH11 ARG 7 HH11 ARG 7 -7.725 6.271 -3.544 42 HH12 ARG 7 HH12 ARG 7 -7.415 7.337 -4.873 43 HH21 ARG 7 HH21 ARG 7 -3.916 6.858 -4.796 44 HH22 ARG 7 HH22 ARG 7 -5.234 7.672 -5.597 45 H PHE 8 HN PHE 8 -2.933 4.266 -1.334 46 HA PHE 8 HA PHE 8 -4.639 2.070 -1.510 47 HB2 PHE 8 HB2 PHE 8 -2.841 2.659 -3.150 48 HB3 PHE 8 HB1 PHE 8 -1.657 2.016 -2.018 49 HD1 PHE 8 HD1 PHE 8 -4.981 0.796 -3.194 50 HD2 PHE 8 HD2 PHE 8 -0.811 0.022 -2.816 51 HE1 PHE 8 HE1 PHE 8 -5.313 -1.452 -4.135 52 HE2 PHE 8 HE2 PHE 8 -1.138 -2.224 -3.755 53 HZ PHE 8 HZ PHE 8 -3.390 -2.964 -4.418 54 H ASN 9 HN ASN 9 -1.813 2.543 0.548 55 HA ASN 9 HA ASN 9 -1.608 -0.046 1.595 56 HB2 ASN 9 HB2 ASN 9 -0.856 2.659 2.694 57 HB3 ASN 9 HB1 ASN 9 -0.571 1.183 3.608 58 HD21 ASN 9 HD21 ASN 9 0.638 3.277 1.278 59 HD22 ASN 9 HD22 ASN 9 1.955 2.307 0.719 60 H TYR 10 HN TYR 10 -3.526 2.726 2.649 61 HA TYR 10 HA TYR 10 -4.649 1.334 4.905 62 HB2 TYR 10 HB2 TYR 10 -4.328 3.771 4.946 63 HB3 TYR 10 HB1 TYR 10 -5.446 3.947 3.598 64 HD1 TYR 10 HD1 TYR 10 -5.575 2.048 6.822 65 HD2 TYR 10 HD2 TYR 10 -7.403 4.933 4.286 66 HE1 TYR 10 HE1 TYR 10 -7.452 2.237 8.400 67 HE2 TYR 10 HE2 TYR 10 -9.285 5.131 5.858 68 HH TYR 10 HH TYR 10 -10.168 3.106 7.932 69 H ASP 11 HN ASP 11 -5.592 2.129 1.634 70 HA ASP 11 HA ASP 11 -8.301 1.459 1.691 71 HB2 ASP 11 HB2 ASP 11 -7.165 2.668 -0.156 72 HB3 ASP 11 HB1 ASP 11 -6.353 1.175 -0.611 73 H HIS 12 HN HIS 12 -5.437 -0.545 1.211 74 HA HIS 12 HA HIS 12 -7.168 -2.894 1.523 75 HB2 HIS 12 HB2 HIS 12 -5.061 -2.463 -0.574 76 HB3 HIS 12 HB1 HIS 12 -5.534 -4.085 -0.069 77 HD1 HIS 12 HD1 HIS 12 -8.219 -4.566 -0.291 78 HD2 HIS 12 HD2 HIS 12 -6.649 -1.391 -2.475 79 HE1 HIS 12 HE1 HIS 12 -9.980 -3.964 -1.987 80 HE2 HIS 12 HE2 HIS 12 -9.116 -1.850 -3.057 81 HA PRO 13 HA PRO 13 -3.887 -2.985 4.748 82 HB2 PRO 13 HB2 PRO 13 -5.526 -4.251 6.546 83 HB3 PRO 13 HB1 PRO 13 -5.400 -2.496 6.391 84 HG2 PRO 13 HG2 PRO 13 -7.462 -4.354 5.282 85 HG3 PRO 13 HG1 PRO 13 -7.672 -2.751 6.012 86 HD2 PRO 13 HD2 PRO 13 -7.722 -3.124 3.344 87 HD3 PRO 13 HD1 PRO 13 -7.059 -1.649 4.077 88 H GLU 14 HN GLU 14 -6.033 -5.377 3.360 89 HA GLU 14 HA GLU 14 -4.774 -7.681 4.432 90 HB2 GLU 14 HB2 GLU 14 -6.037 -8.948 2.831 91 HB3 GLU 14 HB1 GLU 14 -7.066 -7.653 3.415 92 HG2 GLU 14 HG2 GLU 14 -5.519 -7.249 0.901 93 HG3 GLU 14 HG1 GLU 14 -6.955 -8.265 0.871 94 H ILE 15 HN ILE 15 -4.187 -5.680 1.628 95 HA ILE 15 HA ILE 15 -2.211 -7.485 0.532 96 HB ILE 15 HB ILE 15 -2.924 -4.665 -0.297 97 HG12 ILE 15 HG12 ILE 15 -3.755 -7.328 -1.477 98 HG13 ILE 15 HG11 ILE 15 -4.791 -6.271 -0.523 99 HG21 ILE 15 HG21 ILE 15 -1.490 -4.831 -2.060 100 HG22 ILE 15 HG22 ILE 15 -1.622 -6.588 -2.146 101 HG23 ILE 15 HG23 ILE 15 -0.619 -5.839 -0.904 102 HD11 ILE 15 HD11 ILE 15 -5.081 -4.793 -2.227 103 HD12 ILE 15 HD12 ILE 15 -4.854 -6.277 -3.153 104 HD13 ILE 15 HD13 ILE 15 -3.514 -5.148 -2.954 105 H CYS 16 HN CYS 16 -2.226 -4.251 2.022 106 HA CYS 16 HA CYS 16 0.277 -4.701 3.302 107 HB2 CYS 16 HB2 CYS 16 1.426 -2.757 2.080 108 HB3 CYS 16 HB1 CYS 16 1.346 -4.306 1.250 109 H GLY 17 HN GLY 17 -1.619 -4.115 4.776 110 HA2 GLY 17 HA2 GLY 17 -2.450 -1.386 4.916 111 HA3 GLY 17 HA1 GLY 17 -2.706 -2.613 6.142 112 H GLY 18 HN GLY 18 0.145 -0.967 4.759 113 HA2 GLY 18 HA2 GLY 18 0.868 0.719 6.718 114 HA3 GLY 18 HA1 GLY 18 1.350 -0.829 7.398 115 H ALA 19 HN ALA 19 2.316 -2.178 5.267 116 HA ALA 19 HA ALA 19 4.084 -0.682 3.625 117 HB1 ALA 19 HB1 ALA 19 6.159 -1.794 4.794 118 HB2 ALA 19 HB2 ALA 19 5.118 -1.743 6.217 119 HB3 ALA 19 HB3 ALA 19 5.525 -0.251 5.368 120 H ALA 20 HN ALA 20 5.629 -2.166 2.481 121 HA ALA 20 HA ALA 20 5.239 -4.990 2.605 122 HB1 ALA 20 HB1 ALA 20 4.141 -5.338 0.485 123 HB2 ALA 20 HB2 ALA 20 4.077 -3.600 0.192 124 HB3 ALA 20 HB3 ALA 20 3.125 -4.308 1.496 125 H GLY 21 HN GLY 21 6.191 -2.241 0.586 126 HA2 GLY 21 HA2 GLY 21 8.239 -1.795 -0.394 127 HA3 GLY 21 HA1 GLY 21 8.854 -3.286 0.304 128 H GLY 22 HN GLY 22 6.006 -3.051 -1.716 129 HA2 GLY 22 HA2 GLY 22 7.211 -3.657 -4.183 130 HA3 GLY 22 HA1 GLY 22 6.717 -5.155 -3.402 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 3.565 -5.564 -3.905 2 HA2 GLY 1 HA2 GLY 1 0.948 -5.745 -5.017 3 HA3 GLY 1 HA1 GLY 1 0.911 -4.990 -3.428 4 H HIS 2 HN HIS 2 0.567 -2.902 -3.808 5 HA HIS 2 HA HIS 2 2.599 -1.398 -5.236 6 HB2 HIS 2 HB2 HIS 2 -0.246 -1.623 -6.164 7 HB3 HIS 2 HB1 HIS 2 0.613 -0.106 -6.386 8 HD1 HIS 2 HD1 HIS 2 3.139 -0.603 -7.603 9 HD2 HIS 2 HD2 HIS 2 -0.019 -3.207 -8.325 10 HE1 HIS 2 HE1 HIS 2 3.741 -1.820 -9.718 11 HE2 HIS 2 HE2 HIS 2 1.880 -3.484 -10.058 12 H CYS 3 HN CYS 3 2.075 -1.552 -2.546 13 HA CYS 3 HA CYS 3 0.356 0.570 -1.687 14 HB2 CYS 3 HB2 CYS 3 2.447 -0.973 -0.149 15 HB3 CYS 3 HB1 CYS 3 1.177 0.033 0.546 16 H SER 4 HN SER 4 2.190 1.572 -3.525 17 HA SER 4 HA SER 4 4.293 2.941 -2.105 18 HB2 SER 4 HB2 SER 4 4.414 4.148 -4.426 19 HB3 SER 4 HB1 SER 4 4.907 2.458 -4.306 20 HG SER 4 HG SER 4 2.781 3.584 -5.635 21 H ASP 5 HN ASP 5 1.120 3.617 -3.412 22 HA ASP 5 HA ASP 5 1.208 6.411 -2.662 23 HB2 ASP 5 HB2 ASP 5 0.038 5.677 -4.725 24 HB3 ASP 5 HB1 ASP 5 -1.086 4.749 -3.741 25 HA PRO 6 HA PRO 6 -0.118 5.855 1.524 26 HB2 PRO 6 HB2 PRO 6 -1.533 8.240 1.728 27 HB3 PRO 6 HB1 PRO 6 0.198 8.043 2.009 28 HG2 PRO 6 HG2 PRO 6 -1.229 9.006 -0.429 29 HG3 PRO 6 HG1 PRO 6 0.293 9.575 0.282 30 HD2 PRO 6 HD2 PRO 6 0.277 8.011 -1.887 31 HD3 PRO 6 HD1 PRO 6 1.515 7.819 -0.627 32 H ARG 7 HN ARG 7 -2.501 6.781 -0.947 33 HA ARG 7 HA ARG 7 -4.791 6.222 0.646 34 HB2 ARG 7 HB2 ARG 7 -4.339 6.541 -2.300 35 HB3 ARG 7 HB1 ARG 7 -5.877 5.926 -1.717 36 HG2 ARG 7 HG2 ARG 7 -6.164 8.234 -2.025 37 HG3 ARG 7 HG1 ARG 7 -6.026 7.993 -0.285 38 HD2 ARG 7 HD2 ARG 7 -4.737 9.932 -0.985 39 HD3 ARG 7 HD1 ARG 7 -3.670 8.661 -0.387 40 HE ARG 7 HE ARG 7 -2.805 8.383 -2.506 41 HH11 ARG 7 HH11 ARG 7 -5.534 10.588 -2.637 42 HH12 ARG 7 HH12 ARG 7 -5.264 11.018 -4.291 43 HH21 ARG 7 HH21 ARG 7 -2.449 8.919 -4.664 44 HH22 ARG 7 HH22 ARG 7 -3.496 10.066 -5.455 45 H PHE 8 HN PHE 8 -3.108 4.342 -1.843 46 HA PHE 8 HA PHE 8 -4.688 2.072 -1.856 47 HB2 PHE 8 HB2 PHE 8 -2.703 2.615 -3.358 48 HB3 PHE 8 HB1 PHE 8 -1.681 1.974 -2.075 49 HD1 PHE 8 HD1 PHE 8 -4.605 1.043 -4.185 50 HD2 PHE 8 HD2 PHE 8 -1.163 -0.278 -2.064 51 HE1 PHE 8 HE1 PHE 8 -4.933 -1.228 -5.071 52 HE2 PHE 8 HE2 PHE 8 -1.481 -2.548 -2.950 53 HZ PHE 8 HZ PHE 8 -3.365 -3.025 -4.459 54 H ASN 9 HN ASN 9 -2.162 2.983 0.399 55 HA ASN 9 HA ASN 9 -1.891 0.539 1.760 56 HB2 ASN 9 HB2 ASN 9 -1.328 3.398 2.465 57 HB3 ASN 9 HB1 ASN 9 -1.199 2.155 3.705 58 HD21 ASN 9 HD21 ASN 9 0.345 3.702 1.133 59 HD22 ASN 9 HD22 ASN 9 1.724 2.664 1.016 60 H TYR 10 HN TYR 10 -4.138 3.211 2.159 61 HA TYR 10 HA TYR 10 -5.356 2.066 4.516 62 HB2 TYR 10 HB2 TYR 10 -5.209 4.508 4.249 63 HB3 TYR 10 HB1 TYR 10 -6.192 4.412 2.793 64 HD1 TYR 10 HD2 TYR 10 -6.522 2.937 6.216 65 HD2 TYR 10 HD1 TYR 10 -8.267 5.330 3.163 66 HE1 TYR 10 HE2 TYR 10 -8.555 3.182 7.579 67 HE2 TYR 10 HE1 TYR 10 -10.304 5.584 4.517 68 HH TYR 10 HH TYR 10 -11.440 4.168 6.413 69 H ASP 11 HN ASP 11 -6.078 2.441 1.098 70 HA ASP 11 HA ASP 11 -8.704 1.449 1.090 71 HB2 ASP 11 HB2 ASP 11 -6.586 1.466 -1.065 72 HB3 ASP 11 HB1 ASP 11 -8.249 0.972 -1.346 73 H HIS 12 HN HIS 12 -5.599 -0.178 0.982 74 HA HIS 12 HA HIS 12 -6.992 -2.738 1.298 75 HB2 HIS 12 HB2 HIS 12 -4.963 -2.065 -0.814 76 HB3 HIS 12 HB1 HIS 12 -5.163 -3.721 -0.247 77 HD1 HIS 12 HD1 HIS 12 -7.696 -4.674 -0.468 78 HD2 HIS 12 HD2 HIS 12 -6.710 -1.340 -2.765 79 HE1 HIS 12 HE1 HIS 12 -9.487 -4.504 -2.234 80 HE2 HIS 12 HE2 HIS 12 -8.981 -2.361 -3.462 81 HA PRO 13 HA PRO 13 -3.531 -2.093 4.357 82 HB2 PRO 13 HB2 PRO 13 -4.994 -2.966 6.493 83 HB3 PRO 13 HB1 PRO 13 -4.927 -1.277 5.977 84 HG2 PRO 13 HG2 PRO 13 -7.020 -3.343 5.435 85 HG3 PRO 13 HG1 PRO 13 -7.216 -1.631 5.856 86 HD2 PRO 13 HD2 PRO 13 -7.462 -2.528 3.323 87 HD3 PRO 13 HD1 PRO 13 -6.803 -0.923 3.699 88 H GLU 14 HN GLU 14 -5.771 -4.708 3.652 89 HA GLU 14 HA GLU 14 -4.379 -6.731 5.063 90 HB2 GLU 14 HB2 GLU 14 -5.777 -8.301 3.962 91 HB3 GLU 14 HB1 GLU 14 -6.760 -6.875 4.238 92 HG2 GLU 14 HG2 GLU 14 -5.413 -7.438 1.613 93 HG3 GLU 14 HG1 GLU 14 -7.019 -8.033 2.010 94 H ILE 15 HN ILE 15 -4.110 -5.470 1.789 95 HA ILE 15 HA ILE 15 -2.241 -7.452 0.911 96 HB ILE 15 HB ILE 15 -2.813 -4.712 -0.238 97 HG12 ILE 15 HG12 ILE 15 -3.880 -7.432 -1.035 98 HG13 ILE 15 HG11 ILE 15 -4.791 -6.190 -0.181 99 HG21 ILE 15 HG21 ILE 15 -1.796 -5.570 -2.289 100 HG22 ILE 15 HG22 ILE 15 -1.411 -7.083 -1.470 101 HG23 ILE 15 HG23 ILE 15 -0.647 -5.581 -0.952 102 HD11 ILE 15 HD11 ILE 15 -5.511 -5.784 -2.288 103 HD12 ILE 15 HD12 ILE 15 -4.020 -6.364 -3.031 104 HD13 ILE 15 HD13 ILE 15 -4.075 -4.760 -2.298 105 H CYS 16 HN CYS 16 -1.988 -4.082 1.960 106 HA CYS 16 HA CYS 16 0.812 -3.891 1.709 107 HB2 CYS 16 HB2 CYS 16 -1.037 -2.290 3.484 108 HB3 CYS 16 HB1 CYS 16 0.581 -1.819 2.969 109 H GLY 17 HN GLY 17 -1.254 -4.793 4.436 110 HA2 GLY 17 HA2 GLY 17 0.999 -4.936 6.243 111 HA3 GLY 17 HA1 GLY 17 -0.665 -5.356 6.610 112 H GLY 18 HN GLY 18 -1.123 -7.289 4.628 113 HA2 GLY 18 HA2 GLY 18 0.134 -9.530 5.887 114 HA3 GLY 18 HA1 GLY 18 -1.022 -9.589 4.570 115 H ALA 19 HN ALA 19 0.197 -8.347 2.518 116 HA ALA 19 HA ALA 19 2.334 -10.220 1.919 117 HB1 ALA 19 HB1 ALA 19 2.066 -8.830 -0.366 118 HB2 ALA 19 HB2 ALA 19 0.473 -8.565 0.343 119 HB3 ALA 19 HB3 ALA 19 1.052 -10.207 0.064 120 H ALA 20 HN ALA 20 1.823 -6.723 1.835 121 HA ALA 20 HA ALA 20 3.202 -4.938 2.021 122 HB1 ALA 20 HB1 ALA 20 5.631 -5.624 2.936 123 HB2 ALA 20 HB2 ALA 20 4.708 -7.039 3.443 124 HB3 ALA 20 HB3 ALA 20 4.218 -5.430 3.975 125 H GLY 21 HN GLY 21 5.649 -7.392 1.218 126 HA2 GLY 21 HA2 GLY 21 6.576 -5.741 -0.992 127 HA3 GLY 21 HA1 GLY 21 7.334 -7.209 -0.394 128 H GLY 22 HN GLY 22 4.040 -6.565 -1.543 129 HA2 GLY 22 HA2 GLY 22 4.442 -8.027 -3.985 130 HA3 GLY 22 HA1 GLY 22 3.541 -8.940 -2.780 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 3.714 -6.096 -4.348 2 HA2 GLY 1 HA2 GLY 1 1.664 -5.461 -5.162 3 HA3 GLY 1 HA1 GLY 1 1.374 -4.706 -3.600 4 H HIS 2 HN HIS 2 0.952 -2.633 -3.733 5 HA HIS 2 HA HIS 2 2.595 -0.877 -5.343 6 HB2 HIS 2 HB2 HIS 2 0.532 -1.759 -6.728 7 HB3 HIS 2 HB1 HIS 2 -0.374 -0.626 -5.735 8 HD1 HIS 2 HD1 HIS 2 0.655 1.972 -5.851 9 HD2 HIS 2 HD2 HIS 2 1.560 -0.649 -8.966 10 HE1 HIS 2 HE1 HIS 2 1.406 3.416 -7.762 11 HE2 HIS 2 HE2 HIS 2 2.011 1.815 -9.608 12 H CYS 3 HN CYS 3 2.300 -1.309 -2.612 13 HA CYS 3 HA CYS 3 0.498 0.600 -1.478 14 HB2 CYS 3 HB2 CYS 3 2.799 -0.880 -0.199 15 HB3 CYS 3 HB1 CYS 3 1.503 -0.037 0.649 16 H SER 4 HN SER 4 2.428 1.644 -3.395 17 HA SER 4 HA SER 4 4.314 3.231 -1.912 18 HB2 SER 4 HB2 SER 4 3.381 3.644 -4.767 19 HB3 SER 4 HB1 SER 4 4.905 4.167 -4.045 20 HG SER 4 HG SER 4 5.499 1.981 -3.859 21 H ASP 5 HN ASP 5 1.185 3.542 -3.433 22 HA ASP 5 HA ASP 5 0.827 6.321 -2.906 23 HB2 ASP 5 HB2 ASP 5 -1.564 4.554 -3.144 24 HB3 ASP 5 HB1 ASP 5 -1.266 6.122 -3.865 25 HA PRO 6 HA PRO 6 -0.100 5.821 1.456 26 HB2 PRO 6 HB2 PRO 6 -1.435 8.227 1.735 27 HB3 PRO 6 HB1 PRO 6 0.318 8.043 1.834 28 HG2 PRO 6 HG2 PRO 6 -1.368 8.956 -0.456 29 HG3 PRO 6 HG1 PRO 6 0.213 9.551 0.082 30 HD2 PRO 6 HD2 PRO 6 -0.050 7.925 -2.049 31 HD3 PRO 6 HD1 PRO 6 1.356 7.834 -0.967 32 H ARG 7 HN ARG 7 -2.300 6.658 -1.061 33 HA ARG 7 HA ARG 7 -4.765 6.310 0.262 34 HB2 ARG 7 HB2 ARG 7 -4.675 7.547 -1.778 35 HB3 ARG 7 HB1 ARG 7 -3.923 6.209 -2.632 36 HG2 ARG 7 HG2 ARG 7 -6.110 4.946 -2.093 37 HG3 ARG 7 HG1 ARG 7 -6.768 6.558 -1.803 38 HD2 ARG 7 HD2 ARG 7 -7.128 5.750 -4.120 39 HD3 ARG 7 HD1 ARG 7 -6.206 7.249 -4.035 40 HE ARG 7 HE ARG 7 -4.481 6.173 -5.059 41 HH11 ARG 7 HH11 ARG 7 -6.486 3.717 -3.525 42 HH12 ARG 7 HH12 ARG 7 -5.571 2.404 -4.198 43 HH21 ARG 7 HH21 ARG 7 -3.243 4.424 -5.877 44 HH22 ARG 7 HH22 ARG 7 -3.744 2.801 -5.523 45 H PHE 8 HN PHE 8 -2.905 4.123 -1.879 46 HA PHE 8 HA PHE 8 -4.670 1.963 -1.811 47 HB2 PHE 8 HB2 PHE 8 -2.719 2.223 -3.369 48 HB3 PHE 8 HB1 PHE 8 -1.664 1.748 -2.042 49 HD1 PHE 8 HD2 PHE 8 -4.949 0.435 -3.239 50 HD2 PHE 8 HD1 PHE 8 -0.844 -0.365 -2.453 51 HE1 PHE 8 HE2 PHE 8 -5.303 -1.929 -3.814 52 HE2 PHE 8 HE1 PHE 8 -1.193 -2.729 -3.025 53 HZ PHE 8 HZ PHE 8 -3.422 -3.515 -3.709 54 H ASN 9 HN ASN 9 -2.109 2.868 0.419 55 HA ASN 9 HA ASN 9 -2.002 0.506 1.929 56 HB2 ASN 9 HB2 ASN 9 -1.390 3.383 2.574 57 HB3 ASN 9 HB1 ASN 9 -1.262 2.131 3.805 58 HD21 ASN 9 HD21 ASN 9 0.326 3.739 1.346 59 HD22 ASN 9 HD22 ASN 9 1.679 2.678 1.166 60 H TYR 10 HN TYR 10 -4.190 3.230 2.000 61 HA TYR 10 HA TYR 10 -5.530 2.351 4.401 62 HB2 TYR 10 HB2 TYR 10 -5.333 4.750 3.886 63 HB3 TYR 10 HB1 TYR 10 -6.258 4.512 2.408 64 HD1 TYR 10 HD2 TYR 10 -6.744 3.401 5.948 65 HD2 TYR 10 HD1 TYR 10 -8.335 5.487 2.600 66 HE1 TYR 10 HE2 TYR 10 -8.825 3.804 7.195 67 HE2 TYR 10 HE1 TYR 10 -10.420 5.898 3.838 68 HH TYR 10 HH TYR 10 -11.623 4.583 5.900 69 H ASP 11 HN ASP 11 -6.164 2.426 0.918 70 HA ASP 11 HA ASP 11 -8.784 1.411 0.971 71 HB2 ASP 11 HB2 ASP 11 -6.663 1.216 -1.174 72 HB3 ASP 11 HB1 ASP 11 -8.322 0.684 -1.398 73 H HIS 12 HN HIS 12 -5.658 -0.200 0.975 74 HA HIS 12 HA HIS 12 -7.032 -2.717 1.563 75 HB2 HIS 12 HB2 HIS 12 -5.186 -2.200 -0.735 76 HB3 HIS 12 HB1 HIS 12 -5.242 -3.801 0.002 77 HD1 HIS 12 HD1 HIS 12 -7.731 -4.863 0.133 78 HD2 HIS 12 HD2 HIS 12 -7.127 -1.771 -2.587 79 HE1 HIS 12 HE1 HIS 12 -9.680 -4.973 -1.467 80 HE2 HIS 12 HE2 HIS 12 -9.399 -2.956 -2.954 81 HA PRO 13 HA PRO 13 -3.449 -1.912 4.401 82 HB2 PRO 13 HB2 PRO 13 -4.799 -2.734 6.631 83 HB3 PRO 13 HB1 PRO 13 -4.788 -1.066 6.052 84 HG2 PRO 13 HG2 PRO 13 -6.863 -3.189 5.686 85 HG3 PRO 13 HG1 PRO 13 -7.073 -1.465 6.041 86 HD2 PRO 13 HD2 PRO 13 -7.410 -2.482 3.562 87 HD3 PRO 13 HD1 PRO 13 -6.779 -0.845 3.838 88 H GLU 14 HN GLU 14 -5.733 -4.608 4.101 89 HA GLU 14 HA GLU 14 -4.090 -6.505 5.413 90 HB2 GLU 14 HB2 GLU 14 -5.587 -8.192 4.615 91 HB3 GLU 14 HB1 GLU 14 -6.535 -6.793 5.078 92 HG2 GLU 14 HG2 GLU 14 -5.837 -7.621 2.270 93 HG3 GLU 14 HG1 GLU 14 -7.398 -7.813 3.061 94 H ILE 15 HN ILE 15 -4.384 -5.555 2.012 95 HA ILE 15 HA ILE 15 -2.693 -7.582 0.982 96 HB ILE 15 HB ILE 15 -3.324 -4.831 -0.104 97 HG12 ILE 15 HG12 ILE 15 -4.337 -7.585 -0.851 98 HG13 ILE 15 HG11 ILE 15 -5.245 -6.351 0.016 99 HG21 ILE 15 HG21 ILE 15 -1.992 -5.149 -1.884 100 HG22 ILE 15 HG22 ILE 15 -2.349 -6.874 -1.972 101 HG23 ILE 15 HG23 ILE 15 -1.143 -6.280 -0.830 102 HD11 ILE 15 HD11 ILE 15 -6.051 -6.109 -2.112 103 HD12 ILE 15 HD12 ILE 15 -4.500 -6.485 -2.862 104 HD13 ILE 15 HD13 ILE 15 -4.755 -4.912 -2.103 105 H CYS 16 HN CYS 16 -2.087 -4.230 1.958 106 HA CYS 16 HA CYS 16 0.675 -4.245 1.414 107 HB2 CYS 16 HB2 CYS 16 -0.961 -2.541 3.298 108 HB3 CYS 16 HB1 CYS 16 0.728 -2.230 2.892 109 H GLY 17 HN GLY 17 -1.157 -4.965 4.359 110 HA2 GLY 17 HA2 GLY 17 1.099 -5.292 6.045 111 HA3 GLY 17 HA1 GLY 17 -0.514 -5.920 6.345 112 H GLY 18 HN GLY 18 -0.793 -7.586 4.117 113 HA2 GLY 18 HA2 GLY 18 0.543 -9.910 5.033 114 HA3 GLY 18 HA1 GLY 18 -0.413 -9.782 3.566 115 H ALA 19 HN ALA 19 1.050 -7.856 2.184 116 HA ALA 19 HA ALA 19 3.139 -9.468 1.110 117 HB1 ALA 19 HB1 ALA 19 3.307 -7.902 -0.577 118 HB2 ALA 19 HB2 ALA 19 2.889 -6.557 0.485 119 HB3 ALA 19 HB3 ALA 19 1.639 -7.681 -0.048 120 H ALA 20 HN ALA 20 3.056 -6.515 3.038 121 HA ALA 20 HA ALA 20 4.592 -5.402 4.270 122 HB1 ALA 20 HB1 ALA 20 4.828 -8.101 4.911 123 HB2 ALA 20 HB2 ALA 20 5.386 -6.725 5.863 124 HB3 ALA 20 HB3 ALA 20 6.486 -7.521 4.739 125 H GLY 21 HN GLY 21 5.059 -5.662 1.331 126 HA2 GLY 21 HA2 GLY 21 7.175 -4.081 0.904 127 HA3 GLY 21 HA1 GLY 21 7.953 -5.643 1.106 128 H GLY 22 HN GLY 22 4.995 -4.557 -0.592 129 HA2 GLY 22 HA2 GLY 22 6.084 -4.919 -3.168 130 HA3 GLY 22 HA1 GLY 22 5.234 -6.380 -2.692 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 3.195 -4.314 -3.222 2 HA2 GLY 1 HA2 GLY 1 1.591 -4.529 -5.598 3 HA3 GLY 1 HA1 GLY 1 0.640 -4.281 -4.141 4 H HIS 2 HN HIS 2 -0.074 -2.255 -4.865 5 HA HIS 2 HA HIS 2 1.833 -0.170 -5.469 6 HB2 HIS 2 HB2 HIS 2 -0.517 -0.440 -6.477 7 HB3 HIS 2 HB1 HIS 2 -1.119 0.203 -4.956 8 HD1 HIS 2 HD1 HIS 2 -2.019 2.017 -6.871 9 HD2 HIS 2 HD2 HIS 2 1.992 2.142 -5.790 10 HE1 HIS 2 HE1 HIS 2 -1.196 4.275 -7.601 11 HE2 HIS 2 HE2 HIS 2 1.153 4.410 -6.709 12 H CYS 3 HN CYS 3 2.375 -1.196 -2.980 13 HA CYS 3 HA CYS 3 1.159 0.128 -0.814 14 HB2 CYS 3 HB2 CYS 3 3.991 -0.916 -0.963 15 HB3 CYS 3 HB1 CYS 3 3.046 -0.636 0.497 16 H SER 4 HN SER 4 3.302 1.265 -3.190 17 HA SER 4 HA SER 4 4.642 3.277 -1.719 18 HB2 SER 4 HB2 SER 4 4.826 4.265 -4.154 19 HB3 SER 4 HB1 SER 4 5.696 2.791 -3.726 20 HG SER 4 HG SER 4 4.656 2.308 -5.587 21 H ASP 5 HN ASP 5 1.477 2.987 -3.030 22 HA ASP 5 HA ASP 5 0.940 5.845 -2.981 23 HB2 ASP 5 HB2 ASP 5 -0.032 4.139 -4.664 24 HB3 ASP 5 HB1 ASP 5 -1.108 3.668 -3.353 25 HA PRO 6 HA PRO 6 -0.072 5.691 1.368 26 HB2 PRO 6 HB2 PRO 6 -1.467 8.226 0.711 27 HB3 PRO 6 HB1 PRO 6 -0.228 7.905 1.929 28 HG2 PRO 6 HG2 PRO 6 0.357 9.249 -0.299 29 HG3 PRO 6 HG1 PRO 6 1.508 8.099 0.408 30 HD2 PRO 6 HD2 PRO 6 -0.292 7.771 -1.959 31 HD3 PRO 6 HD1 PRO 6 1.376 7.209 -1.723 32 H ARG 7 HN ARG 7 -2.404 6.372 -1.177 33 HA ARG 7 HA ARG 7 -4.731 6.043 0.429 34 HB2 ARG 7 HB2 ARG 7 -4.367 5.816 -2.561 35 HB3 ARG 7 HB1 ARG 7 -5.916 5.909 -1.734 36 HG2 ARG 7 HG2 ARG 7 -5.535 8.126 -1.056 37 HG3 ARG 7 HG1 ARG 7 -3.827 8.046 -1.487 38 HD2 ARG 7 HD2 ARG 7 -6.126 7.866 -3.429 39 HD3 ARG 7 HD1 ARG 7 -5.160 9.310 -3.128 40 HE ARG 7 HE ARG 7 -3.439 7.185 -3.812 41 HH11 ARG 7 HH11 ARG 7 -5.875 9.240 -5.268 42 HH12 ARG 7 HH12 ARG 7 -5.185 9.160 -6.852 43 HH21 ARG 7 HH21 ARG 7 -2.521 7.061 -5.887 44 HH22 ARG 7 HH22 ARG 7 -3.266 7.920 -7.209 45 H PHE 8 HN PHE 8 -3.064 3.921 -1.876 46 HA PHE 8 HA PHE 8 -4.755 1.737 -1.769 47 HB2 PHE 8 HB2 PHE 8 -2.815 2.010 -3.325 48 HB3 PHE 8 HB1 PHE 8 -1.748 1.572 -1.995 49 HD1 PHE 8 HD1 PHE 8 -4.873 0.259 -3.566 50 HD2 PHE 8 HD2 PHE 8 -1.019 -0.599 -1.980 51 HE1 PHE 8 HE1 PHE 8 -5.189 -2.122 -4.098 52 HE2 PHE 8 HE2 PHE 8 -1.326 -2.981 -2.513 53 HZ PHE 8 HZ PHE 8 -3.412 -3.745 -3.574 54 H ASN 9 HN ASN 9 -2.164 2.610 0.457 55 HA ASN 9 HA ASN 9 -2.127 0.213 1.933 56 HB2 ASN 9 HB2 ASN 9 -1.375 3.034 2.698 57 HB3 ASN 9 HB1 ASN 9 -1.153 1.660 3.777 58 HD21 ASN 9 HD21 ASN 9 0.393 3.583 1.681 59 HD22 ASN 9 HD22 ASN 9 1.640 2.518 1.134 60 H TYR 10 HN TYR 10 -4.180 3.039 2.103 61 HA TYR 10 HA TYR 10 -5.450 2.178 4.559 62 HB2 TYR 10 HB2 TYR 10 -5.134 4.578 4.099 63 HB3 TYR 10 HB1 TYR 10 -6.139 4.436 2.661 64 HD1 TYR 10 HD1 TYR 10 -6.528 3.246 6.188 65 HD2 TYR 10 HD2 TYR 10 -8.139 5.527 2.980 66 HE1 TYR 10 HE1 TYR 10 -8.524 3.726 7.541 67 HE2 TYR 10 HE2 TYR 10 -10.140 6.015 4.325 68 HH TYR 10 HH TYR 10 -11.342 4.780 6.348 69 H ASP 11 HN ASP 11 -6.225 2.433 1.129 70 HA ASP 11 HA ASP 11 -8.891 1.554 1.234 71 HB2 ASP 11 HB2 ASP 11 -6.846 1.383 -0.989 72 HB3 ASP 11 HB1 ASP 11 -8.549 0.994 -1.195 73 H HIS 12 HN HIS 12 -5.855 -0.197 1.004 74 HA HIS 12 HA HIS 12 -7.275 -2.682 1.595 75 HB2 HIS 12 HB2 HIS 12 -5.565 -2.188 -0.824 76 HB3 HIS 12 HB1 HIS 12 -5.698 -3.805 -0.137 77 HD1 HIS 12 HD1 HIS 12 -8.237 -4.734 0.052 78 HD2 HIS 12 HD2 HIS 12 -7.580 -1.524 -2.524 79 HE1 HIS 12 HE1 HIS 12 -10.267 -4.623 -1.437 80 HE2 HIS 12 HE2 HIS 12 -9.935 -2.548 -2.829 81 HA PRO 13 HA PRO 13 -3.403 -2.033 4.092 82 HB2 PRO 13 HB2 PRO 13 -4.560 -2.712 6.464 83 HB3 PRO 13 HB1 PRO 13 -4.549 -1.065 5.824 84 HG2 PRO 13 HG2 PRO 13 -6.722 -3.118 5.734 85 HG3 PRO 13 HG1 PRO 13 -6.836 -1.379 6.064 86 HD2 PRO 13 HD2 PRO 13 -7.451 -2.439 3.655 87 HD3 PRO 13 HD1 PRO 13 -6.745 -0.820 3.829 88 H GLU 14 HN GLU 14 -5.770 -4.599 3.823 89 HA GLU 14 HA GLU 14 -4.280 -6.583 5.192 90 HB2 GLU 14 HB2 GLU 14 -5.875 -8.147 4.412 91 HB3 GLU 14 HB1 GLU 14 -6.754 -6.656 4.689 92 HG2 GLU 14 HG2 GLU 14 -5.772 -7.476 1.972 93 HG3 GLU 14 HG1 GLU 14 -7.335 -7.971 2.609 94 H ILE 15 HN ILE 15 -4.236 -5.424 1.897 95 HA ILE 15 HA ILE 15 -2.774 -7.639 0.843 96 HB ILE 15 HB ILE 15 -3.144 -4.858 -0.278 97 HG12 ILE 15 HG12 ILE 15 -4.556 -7.471 -0.874 98 HG13 ILE 15 HG11 ILE 15 -5.242 -6.107 0.001 99 HG21 ILE 15 HG21 ILE 15 -1.700 -5.381 -1.881 100 HG22 ILE 15 HG22 ILE 15 -2.656 -6.806 -2.290 101 HG23 ILE 15 HG23 ILE 15 -1.373 -6.922 -1.086 102 HD11 ILE 15 HD11 ILE 15 -6.066 -5.457 -1.953 103 HD12 ILE 15 HD12 ILE 15 -5.039 -6.578 -2.848 104 HD13 ILE 15 HD13 ILE 15 -4.419 -4.994 -2.382 105 H CYS 16 HN CYS 16 -1.808 -4.287 1.624 106 HA CYS 16 HA CYS 16 0.958 -4.932 1.201 107 HB2 CYS 16 HB2 CYS 16 -0.454 -2.445 2.124 108 HB3 CYS 16 HB1 CYS 16 1.305 -2.567 2.118 109 H GLY 17 HN GLY 17 -1.122 -4.522 4.013 110 HA2 GLY 17 HA2 GLY 17 -0.816 -5.265 6.171 111 HA3 GLY 17 HA1 GLY 17 0.686 -6.013 5.656 112 H GLY 18 HN GLY 18 2.261 -4.031 4.895 113 HA2 GLY 18 HA2 GLY 18 2.296 -1.642 6.309 114 HA3 GLY 18 HA1 GLY 18 3.074 -2.838 7.338 115 H ALA 19 HN ALA 19 4.259 -4.392 5.315 116 HA ALA 19 HA ALA 19 5.905 -2.685 3.679 117 HB1 ALA 19 HB1 ALA 19 6.782 -3.297 6.300 118 HB2 ALA 19 HB2 ALA 19 7.670 -2.480 5.014 119 HB3 ALA 19 HB3 ALA 19 7.771 -4.234 5.180 120 H ALA 20 HN ALA 20 6.845 -3.788 2.022 121 HA ALA 20 HA ALA 20 7.178 -5.424 0.492 122 HB1 ALA 20 HB1 ALA 20 8.709 -6.704 1.477 123 HB2 ALA 20 HB2 ALA 20 7.391 -7.811 1.857 124 HB3 ALA 20 HB3 ALA 20 7.900 -6.609 3.042 125 H GLY 21 HN GLY 21 4.508 -4.739 0.991 126 HA2 GLY 21 HA2 GLY 21 2.839 -7.021 1.298 127 HA3 GLY 21 HA1 GLY 21 2.347 -5.456 0.669 128 H GLY 22 HN GLY 22 4.408 -5.541 -1.440 129 HA2 GLY 22 HA2 GLY 22 4.807 -6.516 -3.514 130 HA3 GLY 22 HA1 GLY 22 3.720 -7.824 -3.076 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 1.778 -4.134 -2.717 2 HA2 GLY 1 HA2 GLY 1 1.792 -4.472 -5.513 3 HA3 GLY 1 HA1 GLY 1 0.166 -4.046 -5.004 4 H HIS 2 HN HIS 2 -0.244 -1.993 -5.255 5 HA HIS 2 HA HIS 2 1.786 -0.007 -5.588 6 HB2 HIS 2 HB2 HIS 2 -0.536 -0.125 -6.690 7 HB3 HIS 2 HB1 HIS 2 -1.157 0.514 -5.176 8 HD1 HIS 2 HD1 HIS 2 -1.908 2.450 -6.999 9 HD2 HIS 2 HD2 HIS 2 2.101 2.272 -5.917 10 HE1 HIS 2 HE1 HIS 2 -0.936 4.670 -7.655 11 HE2 HIS 2 HE2 HIS 2 1.422 4.615 -6.773 12 H CYS 3 HN CYS 3 2.166 -1.102 -3.080 13 HA CYS 3 HA CYS 3 0.901 0.309 -0.982 14 HB2 CYS 3 HB2 CYS 3 3.570 -1.109 -1.005 15 HB3 CYS 3 HB1 CYS 3 2.674 -0.624 0.435 16 H SER 4 HN SER 4 3.177 1.334 -3.231 17 HA SER 4 HA SER 4 4.656 3.166 -1.643 18 HB2 SER 4 HB2 SER 4 4.953 4.232 -4.045 19 HB3 SER 4 HB1 SER 4 5.730 2.700 -3.643 20 HG SER 4 HG SER 4 4.714 2.298 -5.523 21 H ASP 5 HN ASP 5 1.533 3.116 -3.029 22 HA ASP 5 HA ASP 5 1.124 5.995 -2.806 23 HB2 ASP 5 HB2 ASP 5 0.251 4.687 -4.757 24 HB3 ASP 5 HB1 ASP 5 -0.797 3.811 -3.654 25 HA PRO 6 HA PRO 6 -0.122 5.471 1.455 26 HB2 PRO 6 HB2 PRO 6 -1.418 7.929 1.579 27 HB3 PRO 6 HB1 PRO 6 0.296 7.655 1.903 28 HG2 PRO 6 HG2 PRO 6 -1.031 8.639 -0.583 29 HG3 PRO 6 HG1 PRO 6 0.503 9.145 0.148 30 HD2 PRO 6 HD2 PRO 6 0.445 7.539 -1.993 31 HD3 PRO 6 HD1 PRO 6 1.655 7.321 -0.711 32 H ARG 7 HN ARG 7 -2.294 6.396 -1.149 33 HA ARG 7 HA ARG 7 -4.714 6.059 0.294 34 HB2 ARG 7 HB2 ARG 7 -4.153 5.927 -2.671 35 HB3 ARG 7 HB1 ARG 7 -5.760 5.984 -1.958 36 HG2 ARG 7 HG2 ARG 7 -5.386 8.165 -1.097 37 HG3 ARG 7 HG1 ARG 7 -3.676 8.105 -1.527 38 HD2 ARG 7 HD2 ARG 7 -5.981 8.060 -3.469 39 HD3 ARG 7 HD1 ARG 7 -4.972 9.460 -3.106 40 HE ARG 7 HE ARG 7 -3.343 7.296 -3.915 41 HH11 ARG 7 HH11 ARG 7 -5.605 9.639 -5.209 42 HH12 ARG 7 HH12 ARG 7 -4.941 9.590 -6.806 43 HH21 ARG 7 HH21 ARG 7 -2.481 7.198 -5.995 44 HH22 ARG 7 HH22 ARG 7 -3.144 8.197 -7.260 45 H PHE 8 HN PHE 8 -2.943 3.935 -1.928 46 HA PHE 8 HA PHE 8 -4.699 1.766 -1.890 47 HB2 PHE 8 HB2 PHE 8 -2.707 2.095 -3.417 48 HB3 PHE 8 HB1 PHE 8 -1.697 1.533 -2.090 49 HD1 PHE 8 HD1 PHE 8 -4.833 0.452 -3.810 50 HD2 PHE 8 HD2 PHE 8 -1.060 -0.664 -2.192 51 HE1 PHE 8 HE1 PHE 8 -5.223 -1.872 -4.510 52 HE2 PHE 8 HE2 PHE 8 -1.442 -2.988 -2.893 53 HZ PHE 8 HZ PHE 8 -3.525 -3.596 -4.055 54 H ASN 9 HN ASN 9 -2.199 2.711 0.381 55 HA ASN 9 HA ASN 9 -2.087 0.310 1.861 56 HB2 ASN 9 HB2 ASN 9 -1.452 3.169 2.588 57 HB3 ASN 9 HB1 ASN 9 -1.261 1.847 3.735 58 HD21 ASN 9 HD21 ASN 9 0.299 3.690 1.517 59 HD22 ASN 9 HD22 ASN 9 1.618 2.640 1.134 60 H TYR 10 HN TYR 10 -4.165 3.132 2.035 61 HA TYR 10 HA TYR 10 -5.520 2.257 4.423 62 HB2 TYR 10 HB2 TYR 10 -5.312 4.646 3.934 63 HB3 TYR 10 HB1 TYR 10 -6.189 4.432 2.423 64 HD1 TYR 10 HD1 TYR 10 -6.809 3.334 5.949 65 HD2 TYR 10 HD2 TYR 10 -8.265 5.410 2.532 66 HE1 TYR 10 HE1 TYR 10 -8.931 3.759 7.118 67 HE2 TYR 10 HE2 TYR 10 -10.389 5.842 3.692 68 HH TYR 10 HH TYR 10 -11.697 4.659 5.635 69 H ASP 11 HN ASP 11 -6.208 2.410 0.965 70 HA ASP 11 HA ASP 11 -8.819 1.380 1.013 71 HB2 ASP 11 HB2 ASP 11 -6.702 1.282 -1.147 72 HB3 ASP 11 HB1 ASP 11 -8.373 0.790 -1.392 73 H HIS 12 HN HIS 12 -5.689 -0.172 1.049 74 HA HIS 12 HA HIS 12 -7.017 -2.731 1.516 75 HB2 HIS 12 HB2 HIS 12 -5.163 -2.108 -0.723 76 HB3 HIS 12 HB1 HIS 12 -5.027 -3.687 0.047 77 HD1 HIS 12 HD1 HIS 12 -7.469 -4.958 0.272 78 HD2 HIS 12 HD2 HIS 12 -7.032 -2.047 -2.676 79 HE1 HIS 12 HE1 HIS 12 -9.326 -5.379 -1.382 80 HE2 HIS 12 HE2 HIS 12 -9.157 -3.483 -3.035 81 HA PRO 13 HA PRO 13 -3.661 -1.914 4.583 82 HB2 PRO 13 HB2 PRO 13 -5.114 -2.797 6.710 83 HB3 PRO 13 HB1 PRO 13 -5.163 -1.130 6.127 84 HG2 PRO 13 HG2 PRO 13 -7.079 -3.371 5.624 85 HG3 PRO 13 HG1 PRO 13 -7.417 -1.667 5.980 86 HD2 PRO 13 HD2 PRO 13 -7.524 -2.680 3.473 87 HD3 PRO 13 HD1 PRO 13 -7.034 -1.006 3.807 88 H GLU 14 HN GLU 14 -5.734 -4.682 3.916 89 HA GLU 14 HA GLU 14 -4.133 -6.534 5.388 90 HB2 GLU 14 HB2 GLU 14 -5.501 -8.047 3.499 91 HB3 GLU 14 HB1 GLU 14 -5.998 -7.727 5.151 92 HG2 GLU 14 HG2 GLU 14 -7.843 -7.237 3.780 93 HG3 GLU 14 HG1 GLU 14 -7.182 -5.688 4.293 94 H ILE 15 HN ILE 15 -4.374 -5.719 1.940 95 HA ILE 15 HA ILE 15 -2.543 -7.625 1.006 96 HB ILE 15 HB ILE 15 -3.094 -4.893 -0.163 97 HG12 ILE 15 HG12 ILE 15 -4.421 -7.572 -0.620 98 HG13 ILE 15 HG11 ILE 15 -5.160 -6.130 0.066 99 HG21 ILE 15 HG21 ILE 15 -1.257 -6.938 -0.916 100 HG22 ILE 15 HG22 ILE 15 -1.580 -5.394 -1.705 101 HG23 ILE 15 HG23 ILE 15 -2.517 -6.822 -2.146 102 HD11 ILE 15 HD11 ILE 15 -5.959 -6.005 -2.055 103 HD12 ILE 15 HD12 ILE 15 -4.540 -6.784 -2.758 104 HD13 ILE 15 HD13 ILE 15 -4.462 -5.094 -2.257 105 H CYS 16 HN CYS 16 -1.974 -4.163 1.675 106 HA CYS 16 HA CYS 16 0.841 -4.433 1.343 107 HB2 CYS 16 HB2 CYS 16 -0.879 -2.206 2.414 108 HB3 CYS 16 HB1 CYS 16 0.878 -2.090 2.313 109 H GLY 17 HN GLY 17 -1.304 -4.581 4.107 110 HA2 GLY 17 HA2 GLY 17 0.647 -4.300 6.133 111 HA3 GLY 17 HA1 GLY 17 -0.911 -5.097 6.311 112 H GLY 18 HN GLY 18 -0.541 -7.096 4.344 113 HA2 GLY 18 HA2 GLY 18 0.882 -9.034 5.879 114 HA3 GLY 18 HA1 GLY 18 0.152 -9.289 4.300 115 H ALA 19 HN ALA 19 1.722 -6.933 3.293 116 HA ALA 19 HA ALA 19 3.675 -6.423 2.278 117 HB1 ALA 19 HB1 ALA 19 5.364 -6.512 3.702 118 HB2 ALA 19 HB2 ALA 19 5.594 -8.212 3.297 119 HB3 ALA 19 HB3 ALA 19 4.545 -7.761 4.641 120 H ALA 20 HN ALA 20 3.387 -9.923 2.780 121 HA ALA 20 HA ALA 20 4.689 -10.609 0.343 122 HB1 ALA 20 HB1 ALA 20 4.093 -12.013 2.538 123 HB2 ALA 20 HB2 ALA 20 4.389 -12.771 0.972 124 HB3 ALA 20 HB3 ALA 20 2.736 -12.497 1.521 125 H GLY 21 HN GLY 21 3.913 -10.333 -1.630 126 HA2 GLY 21 HA2 GLY 21 2.446 -10.355 -3.408 127 HA3 GLY 21 HA1 GLY 21 1.239 -11.061 -2.342 128 H GLY 22 HN GLY 22 2.962 -8.004 -1.940 129 HA2 GLY 22 HA2 GLY 22 0.498 -6.608 -1.455 130 HA3 GLY 22 HA1 GLY 22 2.111 -5.913 -1.448 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 3.546 -6.048 -4.720 2 HA2 GLY 1 HA2 GLY 1 0.942 -5.626 -4.875 3 HA3 GLY 1 HA1 GLY 1 1.262 -4.941 -3.286 4 H HIS 2 HN HIS 2 0.976 -2.820 -3.639 5 HA HIS 2 HA HIS 2 3.011 -1.405 -5.087 6 HB2 HIS 2 HB2 HIS 2 1.122 -2.103 -6.778 7 HB3 HIS 2 HB1 HIS 2 0.214 -0.811 -6.010 8 HD1 HIS 2 HD1 HIS 2 0.499 -0.054 -8.710 9 HD2 HIS 2 HD2 HIS 2 3.739 0.411 -6.146 10 HE1 HIS 2 HE1 HIS 2 2.008 1.622 -9.826 11 HE2 HIS 2 HE2 HIS 2 4.000 1.825 -8.295 12 H CYS 3 HN CYS 3 2.261 -1.541 -2.433 13 HA CYS 3 HA CYS 3 0.506 0.558 -1.666 14 HB2 CYS 3 HB2 CYS 3 2.614 -0.838 -0.016 15 HB3 CYS 3 HB1 CYS 3 1.215 0.047 0.588 16 H SER 4 HN SER 4 2.254 1.690 -3.433 17 HA SER 4 HA SER 4 4.303 3.135 -1.982 18 HB2 SER 4 HB2 SER 4 3.351 3.634 -4.810 19 HB3 SER 4 HB1 SER 4 4.919 4.038 -4.108 20 HG SER 4 HG SER 4 5.384 1.830 -3.985 21 H ASP 5 HN ASP 5 1.146 3.652 -3.405 22 HA ASP 5 HA ASP 5 1.055 6.457 -2.751 23 HB2 ASP 5 HB2 ASP 5 -0.099 5.448 -4.746 24 HB3 ASP 5 HB1 ASP 5 -1.204 4.646 -3.634 25 HA PRO 6 HA PRO 6 -0.302 6.010 1.446 26 HB2 PRO 6 HB2 PRO 6 -1.829 8.500 0.923 27 HB3 PRO 6 HB1 PRO 6 -0.620 8.159 2.165 28 HG2 PRO 6 HG2 PRO 6 -0.027 9.699 0.073 29 HG3 PRO 6 HG1 PRO 6 1.158 8.553 0.730 30 HD2 PRO 6 HD2 PRO 6 -0.550 8.322 -1.717 31 HD3 PRO 6 HD1 PRO 6 1.141 7.840 -1.473 32 H ARG 7 HN ARG 7 -2.642 6.724 -1.109 33 HA ARG 7 HA ARG 7 -4.969 6.185 0.423 34 HB2 ARG 7 HB2 ARG 7 -4.465 6.175 -2.550 35 HB3 ARG 7 HB1 ARG 7 -6.054 5.920 -1.842 36 HG2 ARG 7 HG2 ARG 7 -6.161 8.091 -1.009 37 HG3 ARG 7 HG1 ARG 7 -4.428 8.349 -1.199 38 HD2 ARG 7 HD2 ARG 7 -6.347 7.944 -3.488 39 HD3 ARG 7 HD1 ARG 7 -5.830 9.522 -2.896 40 HE ARG 7 HE ARG 7 -3.565 7.920 -3.471 41 HH11 ARG 7 HH11 ARG 7 -6.143 9.639 -5.113 42 HH12 ARG 7 HH12 ARG 7 -5.192 9.984 -6.517 43 HH21 ARG 7 HH21 ARG 7 -2.297 8.385 -5.288 44 HH22 ARG 7 HH22 ARG 7 -2.993 9.264 -6.623 45 H PHE 8 HN PHE 8 -3.182 4.203 -1.917 46 HA PHE 8 HA PHE 8 -4.746 1.910 -1.813 47 HB2 PHE 8 HB2 PHE 8 -2.838 2.383 -3.403 48 HB3 PHE 8 HB1 PHE 8 -1.737 1.909 -2.115 49 HD1 PHE 8 HD2 PHE 8 -4.993 0.364 -2.995 50 HD2 PHE 8 HD1 PHE 8 -0.754 -0.030 -2.992 51 HE1 PHE 8 HE2 PHE 8 -5.212 -1.987 -3.686 52 HE2 PHE 8 HE1 PHE 8 -0.969 -2.379 -3.680 53 HZ PHE 8 HZ PHE 8 -3.198 -3.361 -4.030 54 H ASN 9 HN ASN 9 -2.209 2.982 0.350 55 HA ASN 9 HA ASN 9 -1.945 0.600 1.853 56 HB2 ASN 9 HB2 ASN 9 -1.264 3.482 2.346 57 HB3 ASN 9 HB1 ASN 9 -1.129 2.313 3.655 58 HD21 ASN 9 HD21 ASN 9 0.413 3.709 1.034 59 HD22 ASN 9 HD22 ASN 9 1.747 2.614 0.909 60 H TYR 10 HN TYR 10 -4.222 3.216 1.915 61 HA TYR 10 HA TYR 10 -5.312 2.439 4.487 62 HB2 TYR 10 HB2 TYR 10 -5.092 4.823 3.895 63 HB3 TYR 10 HB1 TYR 10 -6.203 4.585 2.552 64 HD1 TYR 10 HD1 TYR 10 -6.265 3.545 6.145 65 HD2 TYR 10 HD2 TYR 10 -8.209 5.623 2.985 66 HE1 TYR 10 HE1 TYR 10 -8.161 4.026 7.637 67 HE2 TYR 10 HE2 TYR 10 -10.110 6.111 4.466 68 HH TYR 10 HH TYR 10 -10.803 4.561 7.140 69 H ASP 11 HN ASP 11 -6.329 2.447 1.067 70 HA ASP 11 HA ASP 11 -8.903 1.372 1.701 71 HB2 ASP 11 HB2 ASP 11 -9.277 1.195 -0.698 72 HB3 ASP 11 HB1 ASP 11 -8.618 2.768 -0.282 73 H HIS 12 HN HIS 12 -5.812 -0.041 1.062 74 HA HIS 12 HA HIS 12 -7.037 -2.673 1.426 75 HB2 HIS 12 HB2 HIS 12 -5.301 -1.864 -0.880 76 HB3 HIS 12 HB1 HIS 12 -5.286 -3.527 -0.302 77 HD1 HIS 12 HD1 HIS 12 -7.925 -4.493 -0.028 78 HD2 HIS 12 HD2 HIS 12 -7.118 -1.535 -2.846 79 HE1 HIS 12 HE1 HIS 12 -9.840 -4.563 -1.664 80 HE2 HIS 12 HE2 HIS 12 -9.436 -2.614 -3.207 81 HA PRO 13 HA PRO 13 -3.214 -1.898 4.037 82 HB2 PRO 13 HB2 PRO 13 -4.401 -2.484 6.416 83 HB3 PRO 13 HB1 PRO 13 -4.351 -0.857 5.731 84 HG2 PRO 13 HG2 PRO 13 -6.566 -2.865 5.684 85 HG3 PRO 13 HG1 PRO 13 -6.645 -1.116 5.965 86 HD2 PRO 13 HD2 PRO 13 -7.266 -2.235 3.582 87 HD3 PRO 13 HD1 PRO 13 -6.535 -0.623 3.716 88 H GLU 14 HN GLU 14 -5.672 -4.405 3.873 89 HA GLU 14 HA GLU 14 -4.249 -6.405 5.272 90 HB2 GLU 14 HB2 GLU 14 -5.841 -7.960 4.442 91 HB3 GLU 14 HB1 GLU 14 -6.706 -6.459 4.716 92 HG2 GLU 14 HG2 GLU 14 -5.687 -7.273 2.011 93 HG3 GLU 14 HG1 GLU 14 -7.271 -7.745 2.617 94 H ILE 15 HN ILE 15 -4.222 -5.379 1.911 95 HA ILE 15 HA ILE 15 -2.674 -7.556 0.934 96 HB ILE 15 HB ILE 15 -2.952 -4.758 -0.188 97 HG12 ILE 15 HG12 ILE 15 -4.435 -7.319 -0.832 98 HG13 ILE 15 HG11 ILE 15 -5.104 -5.917 -0.004 99 HG21 ILE 15 HG21 ILE 15 -2.135 -5.643 -2.268 100 HG22 ILE 15 HG22 ILE 15 -2.046 -7.269 -1.591 101 HG23 ILE 15 HG23 ILE 15 -0.964 -6.008 -1.001 102 HD11 ILE 15 HD11 ILE 15 -4.004 -5.076 -2.491 103 HD12 ILE 15 HD12 ILE 15 -5.680 -5.029 -1.941 104 HD13 ILE 15 HD13 ILE 15 -5.060 -6.462 -2.763 105 H CYS 16 HN CYS 16 -1.879 -4.263 1.955 106 HA CYS 16 HA CYS 16 0.897 -4.431 1.523 107 HB2 CYS 16 HB2 CYS 16 -0.556 -2.689 3.521 108 HB3 CYS 16 HB1 CYS 16 1.038 -2.398 2.830 109 H GLY 17 HN GLY 17 -1.098 -5.062 4.380 110 HA2 GLY 17 HA2 GLY 17 1.103 -5.550 6.126 111 HA3 GLY 17 HA1 GLY 17 -0.575 -5.974 6.426 112 H GLY 18 HN GLY 18 -1.002 -7.664 4.216 113 HA2 GLY 18 HA2 GLY 18 0.069 -10.088 5.253 114 HA3 GLY 18 HA1 GLY 18 -0.899 -9.921 3.796 115 H ALA 19 HN ALA 19 0.697 -8.253 2.284 116 HA ALA 19 HA ALA 19 2.333 -8.360 0.715 117 HB1 ALA 19 HB1 ALA 19 4.627 -8.775 1.559 118 HB2 ALA 19 HB2 ALA 19 3.933 -9.254 3.108 119 HB3 ALA 19 HB3 ALA 19 3.725 -7.604 2.522 120 H ALA 20 HN ALA 20 0.648 -10.607 0.815 121 HA ALA 20 HA ALA 20 1.960 -13.083 0.772 122 HB1 ALA 20 HB1 ALA 20 -0.391 -13.097 0.942 123 HB2 ALA 20 HB2 ALA 20 -0.022 -13.799 -0.634 124 HB3 ALA 20 HB3 ALA 20 -0.581 -12.130 -0.520 125 H GLY 21 HN GLY 21 1.567 -10.629 -1.690 126 HA2 GLY 21 HA2 GLY 21 3.582 -11.957 -3.313 127 HA3 GLY 21 HA1 GLY 21 2.003 -11.755 -4.063 128 H GLY 22 HN GLY 22 3.815 -9.633 -1.893 129 HA2 GLY 22 HA2 GLY 22 4.663 -7.516 -2.205 130 HA3 GLY 22 HA1 GLY 22 4.565 -7.793 -3.939 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 2.844 -4.964 -4.046 2 HA2 GLY 1 HA2 GLY 1 2.599 -4.722 -6.856 3 HA3 GLY 1 HA1 GLY 1 1.270 -4.825 -5.712 4 H HIS 2 HN HIS 2 1.552 -2.558 -4.221 5 HA HIS 2 HA HIS 2 2.039 -0.229 -5.778 6 HB2 HIS 2 HB2 HIS 2 -0.195 -1.324 -6.660 7 HB3 HIS 2 HB1 HIS 2 -0.887 -0.587 -5.221 8 HD1 HIS 2 HD1 HIS 2 -0.376 2.132 -5.070 9 HD2 HIS 2 HD2 HIS 2 -0.153 0.316 -8.803 10 HE1 HIS 2 HE1 HIS 2 -0.555 4.004 -6.744 11 HE2 HIS 2 HE2 HIS 2 -0.535 2.868 -8.994 12 H CYS 3 HN CYS 3 2.654 -1.267 -3.172 13 HA CYS 3 HA CYS 3 1.086 -0.030 -1.157 14 HB2 CYS 3 HB2 CYS 3 3.977 -0.905 -1.016 15 HB3 CYS 3 HB1 CYS 3 2.923 -0.576 0.355 16 H SER 4 HN SER 4 3.233 1.257 -3.402 17 HA SER 4 HA SER 4 4.429 3.343 -1.928 18 HB2 SER 4 HB2 SER 4 4.475 4.383 -4.354 19 HB3 SER 4 HB1 SER 4 5.462 2.971 -3.971 20 HG SER 4 HG SER 4 4.272 2.701 -5.916 21 H ASP 5 HN ASP 5 1.297 2.867 -3.255 22 HA ASP 5 HA ASP 5 0.447 5.606 -3.291 23 HB2 ASP 5 HB2 ASP 5 -0.537 3.743 -4.675 24 HB3 ASP 5 HB1 ASP 5 -1.221 3.078 -3.202 25 HA PRO 6 HA PRO 6 0.099 5.705 1.216 26 HB2 PRO 6 HB2 PRO 6 -1.043 8.215 1.277 27 HB3 PRO 6 HB1 PRO 6 0.695 7.908 1.224 28 HG2 PRO 6 HG2 PRO 6 -1.176 8.619 -0.995 29 HG3 PRO 6 HG1 PRO 6 0.484 9.172 -0.704 30 HD2 PRO 6 HD2 PRO 6 -0.083 7.291 -2.542 31 HD3 PRO 6 HD1 PRO 6 1.415 7.246 -1.589 32 H ARG 7 HN ARG 7 -2.429 6.576 -1.053 33 HA ARG 7 HA ARG 7 -4.597 6.343 0.789 34 HB2 ARG 7 HB2 ARG 7 -4.887 7.742 -1.113 35 HB3 ARG 7 HB1 ARG 7 -4.386 6.470 -2.213 36 HG2 ARG 7 HG2 ARG 7 -6.518 5.266 -1.199 37 HG3 ARG 7 HG1 ARG 7 -7.008 6.942 -0.924 38 HD2 ARG 7 HD2 ARG 7 -7.780 6.137 -3.105 39 HD3 ARG 7 HD1 ARG 7 -6.615 7.452 -3.279 40 HE ARG 7 HE ARG 7 -5.129 5.991 -4.252 41 HH11 ARG 7 HH11 ARG 7 -7.827 4.198 -2.934 42 HH12 ARG 7 HH12 ARG 7 -7.269 2.655 -3.502 43 HH21 ARG 7 HH21 ARG 7 -4.355 3.990 -4.996 44 HH22 ARG 7 HH22 ARG 7 -5.288 2.549 -4.704 45 H PHE 8 HN PHE 8 -3.114 4.242 -1.641 46 HA PHE 8 HA PHE 8 -4.961 2.140 -1.572 47 HB2 PHE 8 HB2 PHE 8 -3.149 2.368 -3.256 48 HB3 PHE 8 HB1 PHE 8 -1.982 1.900 -2.024 49 HD1 PHE 8 HD2 PHE 8 -5.272 0.618 -3.247 50 HD2 PHE 8 HD1 PHE 8 -1.235 -0.253 -2.218 51 HE1 PHE 8 HE2 PHE 8 -5.643 -1.750 -3.804 52 HE2 PHE 8 HE1 PHE 8 -1.600 -2.620 -2.774 53 HZ PHE 8 HZ PHE 8 -3.806 -3.372 -3.567 54 H ASN 9 HN ASN 9 -2.245 2.846 0.552 55 HA ASN 9 HA ASN 9 -2.136 0.382 1.889 56 HB2 ASN 9 HB2 ASN 9 -1.406 3.176 2.761 57 HB3 ASN 9 HB1 ASN 9 -1.188 1.781 3.817 58 HD21 ASN 9 HD21 ASN 9 0.346 3.727 1.699 59 HD22 ASN 9 HD22 ASN 9 1.593 2.664 1.151 60 H TYR 10 HN TYR 10 -4.190 3.185 2.325 61 HA TYR 10 HA TYR 10 -5.479 2.100 4.681 62 HB2 TYR 10 HB2 TYR 10 -5.182 4.549 4.389 63 HB3 TYR 10 HB1 TYR 10 -6.218 4.489 2.967 64 HD1 TYR 10 HD1 TYR 10 -6.472 3.086 6.426 65 HD2 TYR 10 HD2 TYR 10 -8.260 5.455 3.381 66 HE1 TYR 10 HE1 TYR 10 -8.448 3.417 7.854 67 HE2 TYR 10 HE2 TYR 10 -10.241 5.796 4.799 68 HH TYR 10 HH TYR 10 -11.153 4.053 7.129 69 H ASP 11 HN ASP 11 -6.021 2.456 1.268 70 HA ASP 11 HA ASP 11 -8.704 1.724 1.022 71 HB2 ASP 11 HB2 ASP 11 -7.380 2.736 -0.773 72 HB3 ASP 11 HB1 ASP 11 -6.360 1.312 -0.854 73 H HIS 12 HN HIS 12 -5.765 -0.278 0.826 74 HA HIS 12 HA HIS 12 -7.366 -2.593 1.635 75 HB2 HIS 12 HB2 HIS 12 -5.610 -2.477 -0.819 76 HB3 HIS 12 HB1 HIS 12 -6.112 -3.992 -0.074 77 HD1 HIS 12 HD1 HIS 12 -8.822 -4.293 0.099 78 HD2 HIS 12 HD2 HIS 12 -7.374 -1.491 -2.617 79 HE1 HIS 12 HE1 HIS 12 -10.750 -3.759 -1.431 80 HE2 HIS 12 HE2 HIS 12 -9.919 -1.842 -2.837 81 HA PRO 13 HA PRO 13 -3.378 -2.204 4.013 82 HB2 PRO 13 HB2 PRO 13 -4.534 -2.782 6.416 83 HB3 PRO 13 HB1 PRO 13 -4.415 -1.143 5.767 84 HG2 PRO 13 HG2 PRO 13 -6.734 -3.034 5.728 85 HG3 PRO 13 HG1 PRO 13 -6.715 -1.291 6.056 86 HD2 PRO 13 HD2 PRO 13 -7.462 -2.299 3.667 87 HD3 PRO 13 HD1 PRO 13 -6.621 -0.743 3.816 88 H GLU 14 HN GLU 14 -5.693 -4.522 3.301 89 HA GLU 14 HA GLU 14 -4.818 -6.734 4.804 90 HB2 GLU 14 HB2 GLU 14 -6.041 -8.041 3.041 91 HB3 GLU 14 HB1 GLU 14 -6.988 -6.755 3.779 92 HG2 GLU 14 HG2 GLU 14 -6.201 -5.331 1.778 93 HG3 GLU 14 HG1 GLU 14 -5.794 -6.878 1.040 94 H ILE 15 HN ILE 15 -3.899 -5.475 1.639 95 HA ILE 15 HA ILE 15 -2.137 -7.668 1.061 96 HB ILE 15 HB ILE 15 -2.342 -4.987 -0.315 97 HG12 ILE 15 HG12 ILE 15 -3.661 -7.620 -1.016 98 HG13 ILE 15 HG11 ILE 15 -4.483 -6.251 -0.275 99 HG21 ILE 15 HG21 ILE 15 -1.145 -7.600 -1.231 100 HG22 ILE 15 HG22 ILE 15 -0.257 -6.138 -0.806 101 HG23 ILE 15 HG23 ILE 15 -1.313 -6.149 -2.218 102 HD11 ILE 15 HD11 ILE 15 -4.699 -5.186 -2.223 103 HD12 ILE 15 HD12 ILE 15 -4.369 -6.763 -2.940 104 HD13 ILE 15 HD13 ILE 15 -3.064 -5.593 -2.741 105 H CYS 16 HN CYS 16 -1.528 -4.179 1.555 106 HA CYS 16 HA CYS 16 1.284 -4.702 1.956 107 HB2 CYS 16 HB2 CYS 16 -0.232 -2.095 2.166 108 HB3 CYS 16 HB1 CYS 16 1.517 -2.278 2.079 109 H GLY 17 HN GLY 17 -0.959 -5.460 3.966 110 HA2 GLY 17 HA2 GLY 17 -0.157 -3.977 6.325 111 HA3 GLY 17 HA1 GLY 17 -1.342 -5.271 6.258 112 H GLY 18 HN GLY 18 0.134 -7.330 5.174 113 HA2 GLY 18 HA2 GLY 18 2.498 -7.614 6.880 114 HA3 GLY 18 HA1 GLY 18 1.180 -8.754 7.110 115 H ALA 19 HN ALA 19 2.422 -7.350 4.131 116 HA ALA 19 HA ALA 19 3.894 -9.640 3.316 117 HB1 ALA 19 HB1 ALA 19 2.446 -10.820 2.066 118 HB2 ALA 19 HB2 ALA 19 1.678 -9.368 1.422 119 HB3 ALA 19 HB3 ALA 19 1.194 -9.998 2.997 120 H ALA 20 HN ALA 20 1.901 -6.986 2.129 121 HA ALA 20 HA ALA 20 2.305 -5.176 0.848 122 HB1 ALA 20 HB1 ALA 20 4.719 -5.557 2.177 123 HB2 ALA 20 HB2 ALA 20 4.188 -4.110 1.320 124 HB3 ALA 20 HB3 ALA 20 5.159 -5.322 0.485 125 H GLY 21 HN GLY 21 4.780 -7.547 -0.192 126 HA2 GLY 21 HA2 GLY 21 5.016 -8.635 -2.217 127 HA3 GLY 21 HA1 GLY 21 3.427 -8.040 -2.675 128 H GLY 22 HN GLY 22 4.133 -5.252 -2.226 129 HA2 GLY 22 HA2 GLY 22 5.369 -3.513 -3.188 130 HA3 GLY 22 HA1 GLY 22 6.263 -4.699 -4.131 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 4.294 -4.008 -2.676 2 HA2 GLY 1 HA2 GLY 1 3.809 -3.876 -5.525 3 HA3 GLY 1 HA1 GLY 1 2.613 -4.180 -4.274 4 H HIS 2 HN HIS 2 1.062 -2.705 -4.555 5 HA HIS 2 HA HIS 2 1.645 -0.017 -5.437 6 HB2 HIS 2 HB2 HIS 2 -0.432 -1.409 -6.018 7 HB3 HIS 2 HB1 HIS 2 -0.998 -1.050 -4.395 8 HD1 HIS 2 HD1 HIS 2 -3.026 0.076 -5.768 9 HD2 HIS 2 HD2 HIS 2 0.644 2.010 -5.997 10 HE1 HIS 2 HE1 HIS 2 -3.534 2.380 -6.626 11 HE2 HIS 2 HE2 HIS 2 -1.341 3.610 -6.468 12 H CYS 3 HN CYS 3 2.554 -1.168 -2.759 13 HA CYS 3 HA CYS 3 1.207 0.166 -0.670 14 HB2 CYS 3 HB2 CYS 3 4.099 -0.701 -0.685 15 HB3 CYS 3 HB1 CYS 3 3.047 -0.500 0.714 16 H SER 4 HN SER 4 3.381 1.314 -3.039 17 HA SER 4 HA SER 4 4.537 3.453 -1.566 18 HB2 SER 4 HB2 SER 4 5.504 2.558 -3.679 19 HB3 SER 4 HB1 SER 4 4.129 3.219 -4.562 20 HG SER 4 HG SER 4 4.953 5.254 -3.284 21 H ASP 5 HN ASP 5 1.457 2.902 -2.891 22 HA ASP 5 HA ASP 5 0.742 5.709 -3.155 23 HB2 ASP 5 HB2 ASP 5 -0.073 3.737 -4.627 24 HB3 ASP 5 HB1 ASP 5 -1.152 3.376 -3.288 25 HA PRO 6 HA PRO 6 -0.345 5.891 1.197 26 HB2 PRO 6 HB2 PRO 6 -1.740 8.355 0.318 27 HB3 PRO 6 HB1 PRO 6 -0.512 8.143 1.571 28 HG2 PRO 6 HG2 PRO 6 0.082 9.315 -0.754 29 HG3 PRO 6 HG1 PRO 6 1.240 8.244 0.059 30 HD2 PRO 6 HD2 PRO 6 -0.529 7.692 -2.292 31 HD3 PRO 6 HD1 PRO 6 1.149 7.188 -1.999 32 H ARG 7 HN ARG 7 -2.591 6.341 -1.466 33 HA ARG 7 HA ARG 7 -4.975 6.125 0.076 34 HB2 ARG 7 HB2 ARG 7 -4.507 5.650 -2.871 35 HB3 ARG 7 HB1 ARG 7 -6.080 5.837 -2.105 36 HG2 ARG 7 HG2 ARG 7 -5.684 8.097 -1.609 37 HG3 ARG 7 HG1 ARG 7 -3.962 7.956 -1.959 38 HD2 ARG 7 HD2 ARG 7 -6.192 7.675 -3.971 39 HD3 ARG 7 HD1 ARG 7 -5.178 9.104 -3.757 40 HE ARG 7 HE ARG 7 -3.527 6.859 -4.196 41 HH11 ARG 7 HH11 ARG 7 -5.802 8.906 -5.908 42 HH12 ARG 7 HH12 ARG 7 -5.064 8.656 -7.453 43 HH21 ARG 7 HH21 ARG 7 -2.556 6.510 -6.218 44 HH22 ARG 7 HH22 ARG 7 -3.205 7.292 -7.633 45 H PHE 8 HN PHE 8 -3.109 3.849 -1.873 46 HA PHE 8 HA PHE 8 -4.816 1.642 -1.667 47 HB2 PHE 8 HB2 PHE 8 -2.861 1.827 -3.218 48 HB3 PHE 8 HB1 PHE 8 -1.799 1.543 -1.843 49 HD1 PHE 8 HD1 PHE 8 -4.848 -0.004 -3.351 50 HD2 PHE 8 HD2 PHE 8 -1.011 -0.594 -1.607 51 HE1 PHE 8 HE1 PHE 8 -5.077 -2.431 -3.678 52 HE2 PHE 8 HE2 PHE 8 -1.233 -3.021 -1.933 53 HZ PHE 8 HZ PHE 8 -3.266 -3.942 -2.970 54 H ASN 9 HN ASN 9 -2.272 2.783 0.484 55 HA ASN 9 HA ASN 9 -2.269 0.524 2.196 56 HB2 ASN 9 HB2 ASN 9 -1.412 3.380 2.679 57 HB3 ASN 9 HB1 ASN 9 -1.181 2.084 3.848 58 HD21 ASN 9 HD21 ASN 9 0.358 3.828 1.636 59 HD22 ASN 9 HD22 ASN 9 1.555 2.702 1.102 60 H TYR 10 HN TYR 10 -4.382 3.197 1.843 61 HA TYR 10 HA TYR 10 -5.531 2.882 4.490 62 HB2 TYR 10 HB2 TYR 10 -5.223 5.141 3.545 63 HB3 TYR 10 HB1 TYR 10 -6.318 4.730 2.229 64 HD1 TYR 10 HD1 TYR 10 -6.462 4.282 5.941 65 HD2 TYR 10 HD2 TYR 10 -8.316 5.848 2.449 66 HE1 TYR 10 HE1 TYR 10 -8.372 5.031 7.299 67 HE2 TYR 10 HE2 TYR 10 -10.231 6.604 3.796 68 HH TYR 10 HH TYR 10 -11.009 5.522 6.649 69 H ASP 11 HN ASP 11 -6.497 2.442 1.087 70 HA ASP 11 HA ASP 11 -9.085 1.460 1.868 71 HB2 ASP 11 HB2 ASP 11 -9.688 1.550 -0.342 72 HB3 ASP 11 HB1 ASP 11 -8.401 2.742 -0.312 73 H HIS 12 HN HIS 12 -6.014 -0.010 0.988 74 HA HIS 12 HA HIS 12 -7.188 -2.599 1.721 75 HB2 HIS 12 HB2 HIS 12 -5.636 -2.059 -0.803 76 HB3 HIS 12 HB1 HIS 12 -5.786 -3.672 -0.118 77 HD1 HIS 12 HD1 HIS 12 -8.551 -4.242 0.384 78 HD2 HIS 12 HD2 HIS 12 -7.472 -1.652 -2.694 79 HE1 HIS 12 HE1 HIS 12 -10.538 -4.135 -1.151 80 HE2 HIS 12 HE2 HIS 12 -9.945 -2.359 -2.835 81 HA PRO 13 HA PRO 13 -2.961 -1.719 3.691 82 HB2 PRO 13 HB2 PRO 13 -3.825 -2.174 6.253 83 HB3 PRO 13 HB1 PRO 13 -3.772 -0.572 5.510 84 HG2 PRO 13 HG2 PRO 13 -6.092 -2.427 5.853 85 HG3 PRO 13 HG1 PRO 13 -6.024 -0.667 6.058 86 HD2 PRO 13 HD2 PRO 13 -7.057 -1.815 3.848 87 HD3 PRO 13 HD1 PRO 13 -6.182 -0.272 3.787 88 H GLU 14 HN GLU 14 -5.503 -3.999 3.915 89 HA GLU 14 HA GLU 14 -4.419 -6.153 5.258 90 HB2 GLU 14 HB2 GLU 14 -6.045 -7.475 3.847 91 HB3 GLU 14 HB1 GLU 14 -6.738 -6.095 4.693 92 HG2 GLU 14 HG2 GLU 14 -6.329 -4.797 2.526 93 HG3 GLU 14 HG1 GLU 14 -6.094 -6.373 1.777 94 H ILE 15 HN ILE 15 -4.192 -5.351 1.805 95 HA ILE 15 HA ILE 15 -2.837 -7.701 1.043 96 HB ILE 15 HB ILE 15 -2.853 -5.003 -0.314 97 HG12 ILE 15 HG12 ILE 15 -4.573 -7.460 -0.736 98 HG13 ILE 15 HG11 ILE 15 -5.099 -5.961 0.021 99 HG21 ILE 15 HG21 ILE 15 -2.573 -7.243 -2.085 100 HG22 ILE 15 HG22 ILE 15 -1.294 -7.273 -0.871 101 HG23 ILE 15 HG23 ILE 15 -1.518 -5.845 -1.881 102 HD11 ILE 15 HD11 ILE 15 -4.761 -4.777 -2.077 103 HD12 ILE 15 HD12 ILE 15 -5.876 -6.129 -2.274 104 HD13 ILE 15 HD13 ILE 15 -4.209 -6.270 -2.836 105 H CYS 16 HN CYS 16 -1.536 -4.391 1.457 106 HA CYS 16 HA CYS 16 1.145 -5.180 1.149 107 HB2 CYS 16 HB2 CYS 16 -0.095 -2.734 2.393 108 HB3 CYS 16 HB1 CYS 16 1.648 -2.951 2.267 109 H GLY 17 HN GLY 17 -0.905 -4.975 3.996 110 HA2 GLY 17 HA2 GLY 17 1.197 -5.315 5.889 111 HA3 GLY 17 HA1 GLY 17 -0.518 -5.543 6.190 112 H GLY 18 HN GLY 18 -1.015 -7.559 4.272 113 HA2 GLY 18 HA2 GLY 18 -0.112 -9.836 5.757 114 HA3 GLY 18 HA1 GLY 18 -1.138 -9.860 4.332 115 H ALA 19 HN ALA 19 0.343 -8.838 2.359 116 HA ALA 19 HA ALA 19 3.042 -9.707 2.288 117 HB1 ALA 19 HB1 ALA 19 1.731 -11.904 2.283 118 HB2 ALA 19 HB2 ALA 19 2.940 -11.679 1.019 119 HB3 ALA 19 HB3 ALA 19 1.230 -11.458 0.652 120 H ALA 20 HN ALA 20 3.974 -8.456 0.829 121 HA ALA 20 HA ALA 20 2.920 -8.050 -1.792 122 HB1 ALA 20 HB1 ALA 20 1.510 -6.456 -0.577 123 HB2 ALA 20 HB2 ALA 20 2.617 -5.631 -1.674 124 HB3 ALA 20 HB3 ALA 20 2.953 -5.663 0.056 125 H GLY 21 HN GLY 21 5.089 -6.747 0.694 126 HA2 GLY 21 HA2 GLY 21 7.386 -6.517 0.661 127 HA3 GLY 21 HA1 GLY 21 7.401 -7.244 -0.937 128 H GLY 22 HN GLY 22 6.092 -5.629 -2.545 129 HA2 GLY 22 HA2 GLY 22 6.678 -2.846 -2.078 130 HA3 GLY 22 HA1 GLY 22 7.775 -3.602 -3.224 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 4.755 -6.380 -4.339 2 HA2 GLY 1 HA2 GLY 1 2.580 -5.826 -4.818 3 HA3 GLY 1 HA1 GLY 1 2.593 -4.925 -3.309 4 H HIS 2 HN HIS 2 1.882 -2.944 -3.649 5 HA HIS 2 HA HIS 2 3.225 -1.170 -5.448 6 HB2 HIS 2 HB2 HIS 2 0.866 -2.518 -6.402 7 HB3 HIS 2 HB1 HIS 2 0.523 -0.802 -6.223 8 HD1 HIS 2 HD1 HIS 2 3.483 -2.761 -7.632 9 HD2 HIS 2 HD2 HIS 2 0.983 0.431 -8.572 10 HE1 HIS 2 HE1 HIS 2 4.266 -1.921 -9.875 11 HE2 HIS 2 HE2 HIS 2 2.679 -0.055 -10.466 12 H CYS 3 HN CYS 3 2.579 -1.465 -2.636 13 HA CYS 3 HA CYS 3 0.565 0.490 -2.019 14 HB2 CYS 3 HB2 CYS 3 2.535 -0.959 -0.250 15 HB3 CYS 3 HB1 CYS 3 1.219 0.062 0.326 16 H SER 4 HN SER 4 2.427 1.689 -3.626 17 HA SER 4 HA SER 4 4.286 3.198 -2.009 18 HB2 SER 4 HB2 SER 4 4.774 2.598 -4.391 19 HB3 SER 4 HB1 SER 4 3.449 3.646 -4.892 20 HG SER 4 HG SER 4 4.832 5.191 -3.410 21 H ASP 5 HN ASP 5 1.134 3.524 -3.426 22 HA ASP 5 HA ASP 5 0.810 6.310 -2.766 23 HB2 ASP 5 HB2 ASP 5 -0.264 5.335 -4.753 24 HB3 ASP 5 HB1 ASP 5 -1.156 4.215 -3.736 25 HA PRO 6 HA PRO 6 -0.220 5.479 1.509 26 HB2 PRO 6 HB2 PRO 6 -1.449 7.933 1.918 27 HB3 PRO 6 HB1 PRO 6 0.280 7.619 2.092 28 HG2 PRO 6 HG2 PRO 6 -1.211 8.811 -0.203 29 HG3 PRO 6 HG1 PRO 6 0.376 9.250 0.456 30 HD2 PRO 6 HD2 PRO 6 0.144 7.820 -1.799 31 HD3 PRO 6 HD1 PRO 6 1.449 7.506 -0.635 32 H ARG 7 HN ARG 7 -2.488 6.668 -0.901 33 HA ARG 7 HA ARG 7 -4.861 6.250 0.597 34 HB2 ARG 7 HB2 ARG 7 -4.453 6.250 -2.400 35 HB3 ARG 7 HB1 ARG 7 -6.003 6.377 -1.579 36 HG2 ARG 7 HG2 ARG 7 -5.405 8.498 -0.648 37 HG3 ARG 7 HG1 ARG 7 -3.760 8.356 -1.268 38 HD2 ARG 7 HD2 ARG 7 -6.280 8.568 -2.912 39 HD3 ARG 7 HD1 ARG 7 -5.077 9.836 -2.676 40 HE ARG 7 HE ARG 7 -3.789 7.560 -3.703 41 HH11 ARG 7 HH11 ARG 7 -6.060 10.031 -4.724 42 HH12 ARG 7 HH12 ARG 7 -5.637 9.901 -6.396 43 HH21 ARG 7 HH21 ARG 7 -3.244 7.367 -5.862 44 HH22 ARG 7 HH22 ARG 7 -4.014 8.373 -7.056 45 H PHE 8 HN PHE 8 -3.087 4.252 -1.721 46 HA PHE 8 HA PHE 8 -4.870 2.073 -1.770 47 HB2 PHE 8 HB2 PHE 8 -3.045 2.427 -3.423 48 HB3 PHE 8 HB1 PHE 8 -1.869 2.020 -2.179 49 HD1 PHE 8 HD2 PHE 8 -5.129 0.390 -2.936 50 HD2 PHE 8 HD1 PHE 8 -0.886 0.056 -2.946 51 HE1 PHE 8 HE2 PHE 8 -5.318 -1.985 -3.541 52 HE2 PHE 8 HE1 PHE 8 -1.072 -2.318 -3.551 53 HZ PHE 8 HZ PHE 8 -3.289 -3.342 -3.849 54 H ASN 9 HN ASN 9 -2.206 2.906 0.357 55 HA ASN 9 HA ASN 9 -1.986 0.486 1.764 56 HB2 ASN 9 HB2 ASN 9 -1.320 3.339 2.425 57 HB3 ASN 9 HB1 ASN 9 -1.169 2.091 3.656 58 HD21 ASN 9 HD21 ASN 9 0.333 3.645 1.091 59 HD22 ASN 9 HD22 ASN 9 1.675 2.574 0.894 60 H TYR 10 HN TYR 10 -4.074 3.282 2.220 61 HA TYR 10 HA TYR 10 -5.258 2.277 4.636 62 HB2 TYR 10 HB2 TYR 10 -5.087 4.695 4.188 63 HB3 TYR 10 HB1 TYR 10 -6.148 4.511 2.796 64 HD1 TYR 10 HD2 TYR 10 -6.315 3.270 6.322 65 HD2 TYR 10 HD1 TYR 10 -8.186 5.494 3.216 66 HE1 TYR 10 HE2 TYR 10 -8.269 3.636 7.771 67 HE2 TYR 10 HE1 TYR 10 -10.144 5.869 4.655 68 HH TYR 10 HH TYR 10 -10.922 4.167 7.181 69 H ASP 11 HN ASP 11 -6.155 2.468 1.232 70 HA ASP 11 HA ASP 11 -8.777 1.473 1.447 71 HB2 ASP 11 HB2 ASP 11 -8.037 2.630 -0.547 72 HB3 ASP 11 HB1 ASP 11 -6.812 1.405 -0.852 73 H HIS 12 HN HIS 12 -5.675 -0.160 0.974 74 HA HIS 12 HA HIS 12 -7.045 -2.684 1.582 75 HB2 HIS 12 HB2 HIS 12 -5.151 -2.108 -0.663 76 HB3 HIS 12 HB1 HIS 12 -5.234 -3.730 0.026 77 HD1 HIS 12 HD1 HIS 12 -7.827 -4.712 0.125 78 HD2 HIS 12 HD2 HIS 12 -6.968 -1.689 -2.604 79 HE1 HIS 12 HE1 HIS 12 -9.725 -4.721 -1.527 80 HE2 HIS 12 HE2 HIS 12 -9.315 -2.691 -2.962 81 HA PRO 13 HA PRO 13 -3.567 -2.061 4.552 82 HB2 PRO 13 HB2 PRO 13 -4.970 -2.916 6.716 83 HB3 PRO 13 HB1 PRO 13 -4.999 -1.242 6.152 84 HG2 PRO 13 HG2 PRO 13 -6.988 -3.429 5.699 85 HG3 PRO 13 HG1 PRO 13 -7.270 -1.722 6.084 86 HD2 PRO 13 HD2 PRO 13 -7.488 -2.715 3.570 87 HD3 PRO 13 HD1 PRO 13 -6.971 -1.051 3.903 88 H GLU 14 HN GLU 14 -5.694 -4.677 3.719 89 HA GLU 14 HA GLU 14 -4.297 -6.721 5.141 90 HB2 GLU 14 HB2 GLU 14 -5.626 -7.910 2.953 91 HB3 GLU 14 HB1 GLU 14 -6.142 -7.868 4.628 92 HG2 GLU 14 HG2 GLU 14 -7.965 -7.055 3.442 93 HG3 GLU 14 HG1 GLU 14 -7.189 -5.607 4.070 94 H ILE 15 HN ILE 15 -4.347 -5.654 1.762 95 HA ILE 15 HA ILE 15 -2.399 -7.511 0.855 96 HB ILE 15 HB ILE 15 -3.042 -4.813 -0.349 97 HG12 ILE 15 HG12 ILE 15 -4.354 -7.504 -0.822 98 HG13 ILE 15 HG11 ILE 15 -5.093 -6.114 -0.039 99 HG21 ILE 15 HG21 ILE 15 -0.985 -6.016 -1.141 100 HG22 ILE 15 HG22 ILE 15 -2.183 -5.680 -2.391 101 HG23 ILE 15 HG23 ILE 15 -2.043 -7.304 -1.716 102 HD11 ILE 15 HD11 ILE 15 -4.306 -6.386 -2.925 103 HD12 ILE 15 HD12 ILE 15 -4.789 -4.859 -2.185 104 HD13 ILE 15 HD13 ILE 15 -5.926 -6.206 -2.251 105 H CYS 16 HN CYS 16 -2.210 -4.095 1.790 106 HA CYS 16 HA CYS 16 0.576 -3.854 1.384 107 HB2 CYS 16 HB2 CYS 16 -1.326 -2.217 3.065 108 HB3 CYS 16 HB1 CYS 16 0.343 -1.762 2.723 109 H GLY 17 HN GLY 17 -1.363 -4.777 4.172 110 HA2 GLY 17 HA2 GLY 17 0.908 -4.837 5.960 111 HA3 GLY 17 HA1 GLY 17 -0.724 -5.386 6.318 112 H GLY 18 HN GLY 18 1.478 -6.342 3.726 113 HA2 GLY 18 HA2 GLY 18 2.223 -8.825 4.894 114 HA3 GLY 18 HA1 GLY 18 0.902 -9.045 3.752 115 H ALA 19 HN ALA 19 1.511 -7.202 1.815 116 HA ALA 19 HA ALA 19 3.671 -8.528 0.446 117 HB1 ALA 19 HB1 ALA 19 3.052 -6.637 -1.288 118 HB2 ALA 19 HB2 ALA 19 1.610 -6.508 -0.279 119 HB3 ALA 19 HB3 ALA 19 2.012 -8.042 -1.051 120 H ALA 20 HN ALA 20 4.892 -7.536 2.537 121 HA ALA 20 HA ALA 20 5.838 -4.872 2.322 122 HB1 ALA 20 HB1 ALA 20 6.983 -5.296 4.231 123 HB2 ALA 20 HB2 ALA 20 7.531 -6.879 3.681 124 HB3 ALA 20 HB3 ALA 20 5.889 -6.679 4.294 125 H GLY 21 HN GLY 21 7.457 -4.028 1.178 126 HA2 GLY 21 HA2 GLY 21 9.329 -3.866 -0.155 127 HA3 GLY 21 HA1 GLY 21 9.696 -5.537 0.246 128 H GLY 22 HN GLY 22 6.671 -4.483 -1.166 129 HA2 GLY 22 HA2 GLY 22 7.342 -4.942 -3.869 130 HA3 GLY 22 HA1 GLY 22 6.645 -6.402 -3.177 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 3.937 -5.080 -3.915 2 HA2 GLY 1 HA2 GLY 1 1.335 -4.756 -4.981 3 HA3 GLY 1 HA1 GLY 1 1.288 -4.586 -3.230 4 H HIS 2 HN HIS 2 0.714 -2.574 -5.196 5 HA HIS 2 HA HIS 2 2.924 -0.741 -5.330 6 HB2 HIS 2 HB2 HIS 2 0.985 -0.925 -6.986 7 HB3 HIS 2 HB1 HIS 2 0.001 -0.113 -5.782 8 HD1 HIS 2 HD1 HIS 2 -0.056 1.493 -8.103 9 HD2 HIS 2 HD2 HIS 2 3.271 1.658 -5.626 10 HE1 HIS 2 HE1 HIS 2 1.094 3.644 -8.671 11 HE2 HIS 2 HE2 HIS 2 2.866 3.866 -6.905 12 H CYS 3 HN CYS 3 2.731 -1.402 -2.726 13 HA CYS 3 HA CYS 3 1.034 0.328 -1.223 14 HB2 CYS 3 HB2 CYS 3 3.388 -1.378 -0.422 15 HB3 CYS 3 HB1 CYS 3 2.400 -0.472 0.722 16 H SER 4 HN SER 4 2.167 1.977 -2.895 17 HA SER 4 HA SER 4 4.109 3.513 -1.299 18 HB2 SER 4 HB2 SER 4 3.683 3.778 -4.283 19 HB3 SER 4 HB1 SER 4 5.030 4.390 -3.321 20 HG SER 4 HG SER 4 5.271 1.970 -2.841 21 H ASP 5 HN ASP 5 1.274 3.469 -3.320 22 HA ASP 5 HA ASP 5 0.598 6.213 -3.154 23 HB2 ASP 5 HB2 ASP 5 -1.268 3.875 -3.628 24 HB3 ASP 5 HB1 ASP 5 -1.538 5.550 -4.086 25 HA PRO 6 HA PRO 6 -0.858 6.409 1.026 26 HB2 PRO 6 HB2 PRO 6 -2.808 8.350 0.593 27 HB3 PRO 6 HB1 PRO 6 -1.107 8.666 0.944 28 HG2 PRO 6 HG2 PRO 6 -2.531 8.639 -1.678 29 HG3 PRO 6 HG1 PRO 6 -1.231 9.705 -1.116 30 HD2 PRO 6 HD2 PRO 6 -0.756 7.694 -2.826 31 HD3 PRO 6 HD1 PRO 6 0.419 8.138 -1.569 32 H ARG 7 HN ARG 7 -3.238 6.338 -1.606 33 HA ARG 7 HA ARG 7 -5.370 5.381 0.023 34 HB2 ARG 7 HB2 ARG 7 -5.036 5.323 -2.978 35 HB3 ARG 7 HB1 ARG 7 -6.525 4.950 -2.122 36 HG2 ARG 7 HG2 ARG 7 -5.096 7.596 -2.190 37 HG3 ARG 7 HG1 ARG 7 -6.623 7.187 -2.967 38 HD2 ARG 7 HD2 ARG 7 -6.093 7.265 0.002 39 HD3 ARG 7 HD1 ARG 7 -7.007 8.455 -0.921 40 HE ARG 7 HE ARG 7 -7.925 5.897 0.040 41 HH11 ARG 7 HH11 ARG 7 -8.435 8.383 -2.395 42 HH12 ARG 7 HH12 ARG 7 -10.072 7.921 -2.703 43 HH21 ARG 7 HH21 ARG 7 -10.068 5.289 -0.353 44 HH22 ARG 7 HH22 ARG 7 -11.009 6.157 -1.537 45 H PHE 8 HN PHE 8 -3.035 3.803 -2.126 46 HA PHE 8 HA PHE 8 -4.204 1.227 -1.974 47 HB2 PHE 8 HB2 PHE 8 -2.294 2.133 -3.543 48 HB3 PHE 8 HB1 PHE 8 -1.236 1.539 -2.265 49 HD1 PHE 8 HD1 PHE 8 -4.133 0.431 -4.327 50 HD2 PHE 8 HD2 PHE 8 -0.522 -0.655 -2.361 51 HE1 PHE 8 HE1 PHE 8 -4.339 -1.851 -5.221 52 HE2 PHE 8 HE2 PHE 8 -0.719 -2.938 -3.253 53 HZ PHE 8 HZ PHE 8 -2.628 -3.539 -4.686 54 H ASN 9 HN ASN 9 -1.967 2.955 0.112 55 HA ASN 9 HA ASN 9 -1.349 0.668 1.732 56 HB2 ASN 9 HB2 ASN 9 -0.830 3.612 1.951 57 HB3 ASN 9 HB1 ASN 9 -0.580 2.578 3.352 58 HD21 ASN 9 HD21 ASN 9 0.919 3.963 0.805 59 HD22 ASN 9 HD22 ASN 9 2.259 2.883 0.638 60 H TYR 10 HN TYR 10 -3.458 3.497 2.104 61 HA TYR 10 HA TYR 10 -4.419 2.732 4.670 62 HB2 TYR 10 HB2 TYR 10 -4.351 5.065 3.953 63 HB3 TYR 10 HB1 TYR 10 -5.505 4.722 2.672 64 HD1 TYR 10 HD1 TYR 10 -5.412 3.892 6.324 65 HD2 TYR 10 HD2 TYR 10 -7.518 5.734 3.118 66 HE1 TYR 10 HE1 TYR 10 -7.268 4.414 7.850 67 HE2 TYR 10 HE2 TYR 10 -9.378 6.263 4.635 68 HH TYR 10 HH TYR 10 -10.311 5.526 6.727 69 H ASP 11 HN ASP 11 -6.128 2.913 1.539 70 HA ASP 11 HA ASP 11 -8.424 1.551 2.544 71 HB2 ASP 11 HB2 ASP 11 -7.685 2.053 -0.343 72 HB3 ASP 11 HB1 ASP 11 -9.286 1.693 0.286 73 H HIS 12 HN HIS 12 -5.569 0.165 2.150 74 HA HIS 12 HA HIS 12 -6.771 -2.392 1.407 75 HB2 HIS 12 HB2 HIS 12 -4.159 -1.539 0.140 76 HB3 HIS 12 HB1 HIS 12 -5.074 -3.002 -0.180 77 HD1 HIS 12 HD1 HIS 12 -5.670 0.756 -0.524 78 HD2 HIS 12 HD2 HIS 12 -6.463 -2.819 -2.463 79 HE1 HIS 12 HE1 HIS 12 -6.887 1.389 -2.629 80 HE2 HIS 12 HE2 HIS 12 -7.558 -0.810 -3.658 81 HA PRO 13 HA PRO 13 -3.803 -2.382 5.054 82 HB2 PRO 13 HB2 PRO 13 -5.532 -3.664 6.745 83 HB3 PRO 13 HB1 PRO 13 -5.401 -1.907 6.616 84 HG2 PRO 13 HG2 PRO 13 -7.398 -3.757 5.378 85 HG3 PRO 13 HG1 PRO 13 -7.652 -2.165 6.118 86 HD2 PRO 13 HD2 PRO 13 -7.557 -2.507 3.446 87 HD3 PRO 13 HD1 PRO 13 -6.949 -1.036 4.231 88 H GLU 14 HN GLU 14 -5.979 -4.811 3.710 89 HA GLU 14 HA GLU 14 -4.575 -7.045 4.772 90 HB2 GLU 14 HB2 GLU 14 -5.972 -8.411 3.352 91 HB3 GLU 14 HB1 GLU 14 -6.945 -7.154 4.094 92 HG2 GLU 14 HG2 GLU 14 -5.959 -7.227 1.250 93 HG3 GLU 14 HG1 GLU 14 -7.613 -7.477 1.804 94 H ILE 15 HN ILE 15 -4.444 -5.374 1.638 95 HA ILE 15 HA ILE 15 -2.664 -7.221 0.427 96 HB ILE 15 HB ILE 15 -3.143 -4.307 -0.223 97 HG12 ILE 15 HG12 ILE 15 -4.232 -6.843 -1.464 98 HG13 ILE 15 HG11 ILE 15 -5.134 -5.738 -0.436 99 HG21 ILE 15 HG21 ILE 15 -2.027 -4.648 -2.292 100 HG22 ILE 15 HG22 ILE 15 -1.888 -6.383 -2.008 101 HG23 ILE 15 HG23 ILE 15 -0.951 -5.253 -1.031 102 HD11 ILE 15 HD11 ILE 15 -4.694 -5.647 -3.262 103 HD12 ILE 15 HD12 ILE 15 -4.095 -4.171 -2.504 104 HD13 ILE 15 HD13 ILE 15 -5.769 -4.670 -2.261 105 H CYS 16 HN CYS 16 -2.049 -3.995 1.827 106 HA CYS 16 HA CYS 16 0.766 -4.257 1.587 107 HB2 CYS 16 HB2 CYS 16 -0.931 -2.341 3.187 108 HB3 CYS 16 HB1 CYS 16 0.822 -2.217 3.038 109 H GLY 17 HN GLY 17 -1.505 -4.864 4.216 110 HA2 GLY 17 HA2 GLY 17 0.610 -5.474 6.096 111 HA3 GLY 17 HA1 GLY 17 -1.118 -5.639 6.372 112 H GLY 18 HN GLY 18 0.983 -7.035 3.880 113 HA2 GLY 18 HA2 GLY 18 1.111 -9.623 4.991 114 HA3 GLY 18 HA1 GLY 18 -0.238 -9.546 3.863 115 H ALA 19 HN ALA 19 0.552 -8.147 1.788 116 HA ALA 19 HA ALA 19 2.599 -9.812 0.607 117 HB1 ALA 19 HB1 ALA 19 0.419 -8.214 -0.348 118 HB2 ALA 19 HB2 ALA 19 1.355 -9.443 -1.198 119 HB3 ALA 19 HB3 ALA 19 1.901 -7.766 -1.193 120 H ALA 20 HN ALA 20 2.121 -6.387 1.291 121 HA ALA 20 HA ALA 20 3.497 -4.623 1.585 122 HB1 ALA 20 HB1 ALA 20 6.031 -5.690 2.078 123 HB2 ALA 20 HB2 ALA 20 4.886 -6.869 2.720 124 HB3 ALA 20 HB3 ALA 20 4.823 -5.192 3.265 125 H GLY 21 HN GLY 21 5.912 -6.847 0.214 126 HA2 GLY 21 HA2 GLY 21 6.854 -4.846 -1.609 127 HA3 GLY 21 HA1 GLY 21 7.385 -6.522 -1.533 128 H GLY 22 HN GLY 22 4.820 -7.701 -1.860 129 HA2 GLY 22 HA2 GLY 22 4.621 -7.540 -4.734 130 HA3 GLY 22 HA1 GLY 22 3.729 -8.630 -3.684 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 2.974 -4.809 0.108 2 HA2 GLY 1 HA2 GLY 1 3.211 -5.289 -2.720 3 HA3 GLY 1 HA1 GLY 1 1.722 -5.019 -1.829 4 H HIS 2 HN HIS 2 0.692 -3.433 -2.870 5 HA HIS 2 HA HIS 2 2.081 -1.257 -4.147 6 HB2 HIS 2 HB2 HIS 2 -0.081 -2.299 -4.963 7 HB3 HIS 2 HB1 HIS 2 -0.891 -1.503 -3.623 8 HD1 HIS 2 HD1 HIS 2 -2.272 -0.408 -5.688 9 HD2 HIS 2 HD2 HIS 2 1.664 0.843 -5.209 10 HE1 HIS 2 HE1 HIS 2 -2.074 1.719 -7.010 11 HE2 HIS 2 HE2 HIS 2 0.251 2.557 -6.534 12 H CYS 3 HN CYS 3 2.702 -1.381 -1.419 13 HA CYS 3 HA CYS 3 1.165 0.397 0.164 14 HB2 CYS 3 HB2 CYS 3 4.088 -0.285 0.502 15 HB3 CYS 3 HB1 CYS 3 2.971 0.270 1.747 16 H SER 4 HN SER 4 3.311 0.941 -2.393 17 HA SER 4 HA SER 4 4.489 3.384 -1.652 18 HB2 SER 4 HB2 SER 4 5.256 2.030 -3.573 19 HB3 SER 4 HB1 SER 4 3.758 2.400 -4.425 20 HG SER 4 HG SER 4 4.735 4.710 -3.695 21 H ASP 5 HN ASP 5 1.309 2.551 -2.696 22 HA ASP 5 HA ASP 5 0.570 5.315 -3.265 23 HB2 ASP 5 HB2 ASP 5 -0.249 3.502 -4.739 24 HB3 ASP 5 HB1 ASP 5 -1.059 2.760 -3.368 25 HA PRO 6 HA PRO 6 -0.381 5.771 1.112 26 HB2 PRO 6 HB2 PRO 6 -1.600 8.235 0.749 27 HB3 PRO 6 HB1 PRO 6 0.124 7.986 1.032 28 HG2 PRO 6 HG2 PRO 6 -1.331 8.442 -1.533 29 HG3 PRO 6 HG1 PRO 6 0.253 9.046 -1.017 30 HD2 PRO 6 HD2 PRO 6 0.020 7.005 -2.744 31 HD3 PRO 6 HD1 PRO 6 1.319 7.054 -1.534 32 H ARG 7 HN ARG 7 -2.637 6.381 -1.516 33 HA ARG 7 HA ARG 7 -5.010 6.289 0.034 34 HB2 ARG 7 HB2 ARG 7 -5.199 7.334 -2.054 35 HB3 ARG 7 HB1 ARG 7 -4.348 6.042 -2.883 36 HG2 ARG 7 HG2 ARG 7 -6.368 4.586 -2.328 37 HG3 ARG 7 HG1 ARG 7 -7.188 6.100 -1.927 38 HD2 ARG 7 HD2 ARG 7 -7.541 5.318 -4.278 39 HD3 ARG 7 HD1 ARG 7 -6.867 6.943 -4.138 40 HE ARG 7 HE ARG 7 -4.761 5.082 -4.349 41 HH11 ARG 7 HH11 ARG 7 -7.306 6.468 -6.315 42 HH12 ARG 7 HH12 ARG 7 -6.424 6.299 -7.795 43 HH21 ARG 7 HH21 ARG 7 -3.599 4.853 -6.253 44 HH22 ARG 7 HH22 ARG 7 -4.294 5.376 -7.764 45 H PHE 8 HN PHE 8 -3.234 3.893 -1.863 46 HA PHE 8 HA PHE 8 -5.033 1.754 -1.568 47 HB2 PHE 8 HB2 PHE 8 -3.154 1.804 -3.197 48 HB3 PHE 8 HB1 PHE 8 -2.025 1.592 -1.861 49 HD1 PHE 8 HD1 PHE 8 -4.966 -0.001 -3.483 50 HD2 PHE 8 HD2 PHE 8 -1.439 -0.532 -1.167 51 HE1 PHE 8 HE1 PHE 8 -5.237 -2.440 -3.637 52 HE2 PHE 8 HE2 PHE 8 -1.697 -2.970 -1.319 53 HZ PHE 8 HZ PHE 8 -3.600 -3.928 -2.557 54 H ASN 9 HN ASN 9 -2.416 2.906 0.501 55 HA ASN 9 HA ASN 9 -2.264 0.695 2.222 56 HB2 ASN 9 HB2 ASN 9 -1.717 3.619 2.744 57 HB3 ASN 9 HB1 ASN 9 -1.385 2.347 3.917 58 HD21 ASN 9 HD21 ASN 9 0.127 4.263 1.921 59 HD22 ASN 9 HD22 ASN 9 1.394 3.243 1.338 60 H TYR 10 HN TYR 10 -4.414 3.461 2.181 61 HA TYR 10 HA TYR 10 -5.671 2.758 4.683 62 HB2 TYR 10 HB2 TYR 10 -5.445 5.118 3.921 63 HB3 TYR 10 HB1 TYR 10 -6.524 4.761 2.579 64 HD1 TYR 10 HD2 TYR 10 -6.652 3.965 6.232 65 HD2 TYR 10 HD1 TYR 10 -8.551 5.802 2.898 66 HE1 TYR 10 HE2 TYR 10 -8.589 4.511 7.645 67 HE2 TYR 10 HE1 TYR 10 -10.493 6.355 4.302 68 HH TYR 10 HH TYR 10 -11.270 4.982 6.989 69 H ASP 11 HN ASP 11 -6.394 2.582 1.253 70 HA ASP 11 HA ASP 11 -9.033 1.603 1.478 71 HB2 ASP 11 HB2 ASP 11 -8.331 2.703 -0.528 72 HB3 ASP 11 HB1 ASP 11 -7.016 1.561 -0.767 73 H HIS 12 HN HIS 12 -5.918 -0.075 1.038 74 HA HIS 12 HA HIS 12 -7.188 -2.525 1.995 75 HB2 HIS 12 HB2 HIS 12 -5.841 -2.259 -0.682 76 HB3 HIS 12 HB1 HIS 12 -5.973 -3.811 0.140 77 HD1 HIS 12 HD1 HIS 12 -8.567 -4.438 0.823 78 HD2 HIS 12 HD2 HIS 12 -7.957 -1.681 -2.230 79 HE1 HIS 12 HE1 HIS 12 -10.764 -4.284 -0.406 80 HE2 HIS 12 HE2 HIS 12 -10.430 -2.387 -2.034 81 HA PRO 13 HA PRO 13 -2.965 -1.778 3.818 82 HB2 PRO 13 HB2 PRO 13 -3.745 -2.540 6.332 83 HB3 PRO 13 HB1 PRO 13 -3.818 -0.877 5.742 84 HG2 PRO 13 HG2 PRO 13 -5.995 -2.917 5.932 85 HG3 PRO 13 HG1 PRO 13 -6.048 -1.184 6.303 86 HD2 PRO 13 HD2 PRO 13 -7.033 -2.189 4.003 87 HD3 PRO 13 HD1 PRO 13 -6.270 -0.588 4.083 88 H GLU 14 HN GLU 14 -5.317 -4.392 4.053 89 HA GLU 14 HA GLU 14 -3.540 -6.365 5.025 90 HB2 GLU 14 HB2 GLU 14 -5.231 -7.966 4.518 91 HB3 GLU 14 HB1 GLU 14 -6.045 -6.518 5.079 92 HG2 GLU 14 HG2 GLU 14 -5.712 -7.165 2.164 93 HG3 GLU 14 HG1 GLU 14 -7.075 -7.736 3.119 94 H ILE 15 HN ILE 15 -4.398 -5.323 1.764 95 HA ILE 15 HA ILE 15 -2.921 -7.398 0.466 96 HB ILE 15 HB ILE 15 -3.807 -4.743 -0.679 97 HG12 ILE 15 HG12 ILE 15 -5.161 -7.453 -0.707 98 HG13 ILE 15 HG11 ILE 15 -5.700 -6.043 0.197 99 HG21 ILE 15 HG21 ILE 15 -2.435 -5.418 -2.337 100 HG22 ILE 15 HG22 ILE 15 -3.777 -6.485 -2.749 101 HG23 ILE 15 HG23 ILE 15 -2.428 -7.095 -1.791 102 HD11 ILE 15 HD11 ILE 15 -6.273 -6.795 -2.497 103 HD12 ILE 15 HD12 ILE 15 -5.478 -5.221 -2.475 104 HD13 ILE 15 HD13 ILE 15 -6.949 -5.480 -1.536 105 H CYS 16 HN CYS 16 -2.236 -4.143 1.571 106 HA CYS 16 HA CYS 16 0.247 -3.796 0.269 107 HB2 CYS 16 HB2 CYS 16 -0.591 -1.813 1.159 108 HB3 CYS 16 HB1 CYS 16 -1.056 -2.570 2.678 109 H GLY 17 HN GLY 17 -0.631 -5.094 3.453 110 HA2 GLY 17 HA2 GLY 17 0.470 -6.656 4.747 111 HA3 GLY 17 HA1 GLY 17 1.607 -6.878 3.423 112 H GLY 18 HN GLY 18 0.725 -4.330 5.746 113 HA2 GLY 18 HA2 GLY 18 3.178 -3.010 5.774 114 HA3 GLY 18 HA1 GLY 18 2.010 -2.982 7.086 115 H ALA 19 HN ALA 19 2.063 -5.698 7.787 116 HA ALA 19 HA ALA 19 4.372 -5.762 9.447 117 HB1 ALA 19 HB1 ALA 19 1.946 -7.367 9.091 118 HB2 ALA 19 HB2 ALA 19 2.805 -6.918 10.565 119 HB3 ALA 19 HB3 ALA 19 3.359 -8.289 9.605 120 H ALA 20 HN ALA 20 3.382 -7.434 6.522 121 HA ALA 20 HA ALA 20 6.043 -7.897 5.669 122 HB1 ALA 20 HB1 ALA 20 6.022 -9.693 7.284 123 HB2 ALA 20 HB2 ALA 20 5.948 -10.380 5.661 124 HB3 ALA 20 HB3 ALA 20 4.489 -10.294 6.650 125 H GLY 21 HN GLY 21 5.857 -7.600 3.554 126 HA2 GLY 21 HA2 GLY 21 4.490 -9.091 1.736 127 HA3 GLY 21 HA1 GLY 21 3.326 -7.864 2.218 128 H GLY 22 HN GLY 22 4.368 -5.575 2.280 129 HA2 GLY 22 HA2 GLY 22 5.341 -3.836 1.135 130 HA3 GLY 22 HA1 GLY 22 6.500 -4.995 0.502
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