NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640604 | 6ppc | 30626 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H GLU 1 1.808 0.001 0.855 2 HA GLU 1 HA GLU 1 2.290 1.025 -1.511 3 HB2 GLU 1 HB2 GLU 1 3.976 -0.699 -1.976 4 HB3 GLU 1 HB3 GLU 1 3.992 -0.217 -0.285 5 HG2 GLU 1 HG2 GLU 1 3.000 -2.218 0.413 6 HG3 GLU 1 HG3 GLU 1 2.480 -2.629 -1.220 7 H ASP 2 H ASP 2 1.996 0.677 -3.680 8 HA ASP 2 HA ASP 2 0.224 -1.554 -4.429 9 HB2 ASP 2 HB2 ASP 2 0.003 1.359 -5.016 10 HB3 ASP 2 HB3 ASP 2 -0.484 0.229 -6.277 11 H CYS 3 H CYS 3 0.279 -1.994 -6.827 12 HA CYS 3 HA CYS 3 3.074 -2.003 -7.692 13 HB2 CYS 3 HB2 CYS 3 1.588 -4.110 -7.547 14 HB3 CYS 3 HB3 CYS 3 0.833 -3.509 -9.020 15 H GLY 4 H GLY 4 -0.050 -1.799 -9.408 16 HA2 GLY 4 HA2 GLY 4 0.824 0.629 -10.752 17 HA3 GLY 4 HA3 GLY 4 0.631 -0.783 -11.780 18 H SER 5 H SER 5 -0.958 0.654 -12.845 19 HA SER 5 HA SER 5 -3.324 1.495 -11.588 20 HB2 SER 5 HB2 SER 5 -3.275 0.706 -14.484 21 HB3 SER 5 HB3 SER 5 -4.093 2.066 -13.715 22 HG SER 5 HG SER 5 -2.167 2.612 -14.940 23 H ASP 6 H ASP 6 -4.285 -0.071 -10.352 24 HA ASP 6 HA ASP 6 -5.665 -1.814 -9.867 25 HB2 ASP 6 HB2 ASP 6 -6.165 -2.256 -12.794 26 HB3 ASP 6 HB3 ASP 6 -7.275 -2.438 -11.439 27 H CYS 7 H CYS 7 -2.829 -2.242 -10.423 28 HA CYS 7 HA CYS 7 -2.871 -5.011 -11.417 29 HB2 CYS 7 HB2 CYS 7 -0.348 -3.460 -10.944 30 HB3 CYS 7 HB3 CYS 7 -0.646 -4.778 -12.072 31 H MET 8 H MET 8 -1.463 -6.564 -10.303 32 HA MET 8 HA MET 8 -1.063 -5.944 -7.458 33 HB2 MET 8 HB2 MET 8 -2.403 -8.399 -8.598 34 HB3 MET 8 HB3 MET 8 -1.865 -8.263 -6.930 35 HG2 MET 8 HG2 MET 8 -3.348 -6.093 -6.977 36 HG3 MET 8 HG3 MET 8 -4.137 -6.938 -8.307 37 HE1 MET 8 HE1 MET 8 -6.054 -7.640 -7.976 38 HE2 MET 8 HE2 MET 8 -6.592 -8.930 -6.902 39 HE3 MET 8 HE3 MET 8 -6.728 -7.246 -6.394 40 HA PRO 9 HA PRO 9 2.893 -7.791 -7.913 41 HB2 PRO 9 HB2 PRO 9 3.277 -8.831 -5.435 42 HB3 PRO 9 HB3 PRO 9 3.332 -7.096 -5.768 43 HG2 PRO 9 HG2 PRO 9 1.099 -8.738 -4.638 44 HG3 PRO 9 HG3 PRO 9 1.682 -7.142 -4.130 45 HD2 PRO 9 HD2 PRO 9 -0.522 -7.465 -5.670 46 HD3 PRO 9 HD3 PRO 9 0.543 -6.051 -5.811 47 H CYS 10 H CYS 10 3.238 -9.550 -9.111 48 HA CYS 10 HA CYS 10 2.175 -12.128 -8.153 49 HB2 CYS 10 HB2 CYS 10 1.953 -10.828 -10.756 50 HB3 CYS 10 HB3 CYS 10 2.619 -12.454 -10.871 51 H GLY 11 H GLY 11 4.152 -12.449 -6.995 52 HA2 GLY 11 HA2 GLY 11 6.304 -13.211 -6.731 53 HA3 GLY 11 HA3 GLY 11 6.015 -14.061 -8.241 54 H GLY 12 H GLY 12 6.718 -10.739 -7.134 55 HA2 GLY 12 HA2 GLY 12 8.344 -9.263 -7.830 56 HA3 GLY 12 HA3 GLY 12 9.112 -10.595 -8.681 57 H GLU 13 H GLU 13 5.847 -10.197 -9.500 58 HA GLU 13 HA GLU 13 6.602 -8.692 -11.919 59 HB2 GLU 13 HB2 GLU 13 4.429 -10.779 -11.785 60 HB3 GLU 13 HB3 GLU 13 5.104 -10.020 -13.220 61 HG2 GLU 13 HG2 GLU 13 7.211 -11.151 -12.870 62 HG3 GLU 13 HG3 GLU 13 6.612 -11.851 -11.367 63 H CYS 14 H CYS 14 4.156 -8.271 -13.023 64 HA CYS 14 HA CYS 14 2.408 -7.103 -11.014 65 HB2 CYS 14 HB2 CYS 14 4.306 -5.457 -11.848 66 HB3 CYS 14 HB3 CYS 14 3.234 -5.283 -13.234 67 H CYS 15 H CYS 15 0.585 -8.115 -11.594 68 HA CYS 15 HA CYS 15 -0.093 -8.371 -14.425 69 HB2 CYS 15 HB2 CYS 15 -0.271 -10.270 -12.667 70 HB3 CYS 15 HB3 CYS 15 -1.742 -9.449 -12.155 71 H CYS 16 H CYS 16 -1.149 -6.722 -15.303 72 HA CYS 16 HA CYS 16 -3.016 -5.174 -13.649 73 HB2 CYS 16 HB2 CYS 16 -1.940 -4.467 -16.383 74 HB3 CYS 16 HB3 CYS 16 -2.804 -3.408 -15.273 75 H GLU 17 H GLU 17 -5.078 -4.558 -14.533 76 HA GLU 17 HA GLU 17 -6.548 -6.683 -15.575 77 HB2 GLU 17 HB2 GLU 17 -7.037 -3.824 -15.036 78 HB3 GLU 17 HB3 GLU 17 -8.093 -4.547 -16.241 79 HG2 GLU 17 HG2 GLU 17 -7.969 -6.357 -14.092 80 HG3 GLU 17 HG3 GLU 17 -8.192 -4.752 -13.397 81 HA PRO 18 HA PRO 18 -8.716 -6.446 -16.783 82 HB2 PRO 18 HB2 PRO 18 -9.434 -8.413 -18.510 83 HB3 PRO 18 HB3 PRO 18 -9.815 -6.709 -18.784 84 HG2 PRO 18 HG2 PRO 18 -7.600 -8.364 -19.932 85 HG3 PRO 18 HG3 PRO 18 -8.649 -7.184 -20.739 86 HD2 PRO 18 HD2 PRO 18 -6.125 -6.594 -19.955 87 HD3 PRO 18 HD3 PRO 18 -7.426 -5.386 -19.974 88 H ASN 19 H ASN 19 -5.823 -8.059 -17.595 89 HA ASN 19 HA ASN 19 -6.236 -10.666 -16.776 90 HB2 ASN 19 HB2 ASN 19 -3.722 -9.166 -16.070 91 HB3 ASN 19 HB3 ASN 19 -3.898 -10.853 -16.546 92 HD21 ASN 19 HD21 ASN 19 -2.611 -8.149 -17.565 93 HD22 ASN 19 HD22 ASN 19 -2.849 -8.272 -19.272 94 H SER 20 H SER 20 -5.157 -11.599 -14.708 95 HA SER 20 HA SER 20 -5.723 -9.957 -12.355 96 HB2 SER 20 HB2 SER 20 -7.135 -12.484 -13.118 97 HB3 SER 20 HB3 SER 20 -6.849 -12.144 -11.411 98 HG SER 20 HG SER 20 -8.881 -11.341 -12.312 99 H CYS 21 H CYS 21 -4.647 -10.611 -10.469 100 HA CYS 21 HA CYS 21 -2.346 -12.349 -10.978 101 HB2 CYS 21 HB2 CYS 21 -1.956 -10.036 -10.139 102 HB3 CYS 21 HB3 CYS 21 -2.828 -10.457 -8.668 103 H ILE 22 H ILE 22 -3.218 -14.388 -10.698 104 HA ILE 22 HA ILE 22 -3.963 -15.044 -7.929 105 HB ILE 22 HB ILE 22 -5.203 -16.424 -10.299 106 HG12 ILE 22 HG12 ILE 22 -5.785 -13.989 -10.276 107 HG13 ILE 22 HG13 ILE 22 -7.168 -15.052 -10.044 108 HG21 ILE 22 HG21 ILE 22 -6.926 -16.627 -8.200 109 HG22 ILE 22 HG22 ILE 22 -5.720 -17.836 -8.637 110 HG23 ILE 22 HG23 ILE 22 -5.363 -16.648 -7.384 111 HD11 ILE 22 HD11 ILE 22 -7.594 -14.241 -8.010 112 HD12 ILE 22 HD12 ILE 22 -5.889 -14.190 -7.562 113 HD13 ILE 22 HD13 ILE 22 -6.588 -12.885 -8.520 114 H ASP 23 H ASP 23 -3.495 -17.218 -7.277 115 HA ASP 23 HA ASP 23 -2.088 -18.992 -7.048 116 HB2 ASP 23 HB2 ASP 23 -3.441 -19.537 -9.205 117 HB3 ASP 23 HB3 ASP 23 -1.929 -19.190 -10.041 118 H GLY 24 H GLY 24 -0.995 -16.223 -7.550 119 HA2 GLY 24 HA2 GLY 24 1.136 -15.341 -7.464 120 HA3 GLY 24 HA3 GLY 24 1.768 -16.977 -7.578 121 H THR 25 H THR 25 -0.383 -16.512 -10.063 122 HA THR 25 HA THR 25 1.748 -15.620 -11.894 123 HB THR 25 HB THR 25 1.290 -18.080 -12.055 124 HG1 THR 25 HG1 THR 25 1.098 -17.994 -14.374 125 HG21 THR 25 HG21 THR 25 -0.774 -18.833 -13.086 126 HG22 THR 25 HG22 THR 25 -1.371 -17.176 -13.161 127 HG23 THR 25 HG23 THR 25 -1.137 -17.959 -11.598 128 H CYS 26 H CYS 26 0.798 -14.961 -14.081 129 HA CYS 26 HA CYS 26 -1.346 -13.064 -13.554 130 HB2 CYS 26 HB2 CYS 26 0.879 -12.555 -14.784 131 HB3 CYS 26 HB3 CYS 26 0.117 -13.333 -16.167 132 H HIS 27 H HIS 27 -3.288 -14.067 -13.630 133 HA HIS 27 HA HIS 27 -3.901 -16.054 -15.621 134 HB2 HIS 27 HB2 HIS 27 -5.534 -14.702 -13.475 135 HB3 HIS 27 HB3 HIS 27 -6.235 -15.849 -14.613 136 HD1 HIS 27 HD1 HIS 27 -6.449 -18.071 -13.579 137 HD2 HIS 27 HD2 HIS 27 -3.046 -16.088 -12.255 138 HE1 HIS 27 HE1 HIS 27 -5.325 -19.657 -11.982 139 H HIS 28 H HIS 28 -3.941 -15.256 -17.657 140 HA HIS 28 HA HIS 28 -4.732 -12.739 -18.491 141 HB2 HIS 28 HB2 HIS 28 -5.209 -13.896 -20.717 142 HB3 HIS 28 HB3 HIS 28 -3.587 -14.087 -20.058 143 HD1 HIS 28 HD1 HIS 28 -2.967 -16.337 -20.958 144 HD2 HIS 28 HD2 HIS 28 -6.683 -16.341 -19.100 145 HE1 HIS 28 HE1 HIS 28 -3.668 -18.750 -20.862 146 H GLU 29 H GLU 29 -6.663 -12.196 -19.840 147 HA GLU 29 HA GLU 29 -9.097 -13.517 -18.845 148 HB2 GLU 29 HB2 GLU 29 -8.317 -10.658 -18.692 149 HB3 GLU 29 HB3 GLU 29 -9.990 -10.999 -19.108 150 HG2 GLU 29 HG2 GLU 29 -8.527 -11.897 -16.638 151 HG3 GLU 29 HG3 GLU 29 -9.796 -10.678 -16.737 152 H SER 30 H SER 30 -10.322 -14.233 -20.446 153 HA SER 30 HA SER 30 -9.875 -13.236 -23.150 154 HB2 SER 30 HB2 SER 30 -9.951 -15.714 -22.581 155 HB3 SER 30 HB3 SER 30 -11.684 -15.511 -22.328 156 HG SER 30 HG SER 30 -10.290 -14.902 -24.726 157 H SER 31 H SER 31 -12.040 -13.338 -24.520 158 HA SER 31 HA SER 31 -14.233 -12.062 -23.063 159 HB2 SER 31 HB2 SER 31 -12.796 -10.233 -23.904 160 HB3 SER 31 HB3 SER 31 -12.971 -10.863 -25.542 161 HG SER 31 HG SER 31 -15.191 -10.134 -23.944 162 HA PRO 32 HA PRO 32 -15.618 -15.216 -26.180 163 HB2 PRO 32 HB2 PRO 32 -17.319 -16.484 -24.487 164 HB3 PRO 32 HB3 PRO 32 -15.603 -16.889 -24.606 165 HG2 PRO 32 HG2 PRO 32 -17.011 -15.183 -22.589 166 HG3 PRO 32 HG3 PRO 32 -15.748 -16.402 -22.337 167 HD2 PRO 32 HD2 PRO 32 -15.223 -13.746 -22.375 168 HD3 PRO 32 HD3 PRO 32 -14.057 -14.959 -22.944 169 H ASN 33 H ASN 33 -16.907 -14.058 -27.506 170 HA ASN 33 HA ASN 33 -19.638 -13.558 -26.645 171 HB2 ASN 33 HB2 ASN 33 -17.670 -11.418 -27.282 172 HB3 ASN 33 HB3 ASN 33 -19.307 -11.220 -27.902 173 HD21 ASN 33 HD21 ASN 33 -17.846 -9.707 -25.868 174 HD22 ASN 33 HD22 ASN 33 -18.818 -9.774 -24.442 Start of MODEL 2 1 H1 GLU 1 H GLU 1 2.481 -2.122 -1.521 2 HA GLU 1 HA GLU 1 1.687 0.603 -1.723 3 HB2 GLU 1 HB2 GLU 1 4.226 0.733 -1.751 4 HB3 GLU 1 HB3 GLU 1 4.161 -0.106 -3.294 5 HG2 GLU 1 HG2 GLU 1 2.570 1.787 -4.009 6 HG3 GLU 1 HG3 GLU 1 3.208 2.642 -2.606 7 H ASP 2 H ASP 2 0.527 1.009 -3.585 8 HA ASP 2 HA ASP 2 -0.603 -1.184 -4.914 9 HB2 ASP 2 HB2 ASP 2 -1.513 0.577 -6.495 10 HB3 ASP 2 HB3 ASP 2 -1.875 0.822 -4.789 11 H CYS 3 H CYS 3 0.080 -2.379 -6.560 12 HA CYS 3 HA CYS 3 2.600 -2.031 -7.752 13 HB2 CYS 3 HB2 CYS 3 1.138 -4.162 -7.534 14 HB3 CYS 3 HB3 CYS 3 0.399 -3.625 -9.038 15 H GLY 4 H GLY 4 -0.543 -1.950 -9.445 16 HA2 GLY 4 HA2 GLY 4 0.241 0.467 -10.853 17 HA3 GLY 4 HA3 GLY 4 0.116 -0.975 -11.849 18 H SER 5 H SER 5 -1.524 0.389 -12.947 19 HA SER 5 HA SER 5 -3.936 1.138 -11.718 20 HB2 SER 5 HB2 SER 5 -4.841 1.147 -14.073 21 HB3 SER 5 HB3 SER 5 -3.368 2.090 -13.847 22 HG SER 5 HG SER 5 -3.455 0.625 -15.726 23 H ASP 6 H ASP 6 -4.837 -0.454 -10.471 24 HA ASP 6 HA ASP 6 -6.144 -2.249 -9.977 25 HB2 ASP 6 HB2 ASP 6 -6.576 -2.675 -12.927 26 HB3 ASP 6 HB3 ASP 6 -7.674 -3.028 -11.595 27 H CYS 7 H CYS 7 -3.294 -2.566 -10.469 28 HA CYS 7 HA CYS 7 -3.202 -5.347 -11.428 29 HB2 CYS 7 HB2 CYS 7 -0.754 -3.675 -10.975 30 HB3 CYS 7 HB3 CYS 7 -0.986 -5.028 -12.077 31 H MET 8 H MET 8 -1.756 -6.823 -10.274 32 HA MET 8 HA MET 8 -1.389 -6.127 -7.442 33 HB2 MET 8 HB2 MET 8 -2.746 -8.554 -8.591 34 HB3 MET 8 HB3 MET 8 -2.028 -8.583 -6.987 35 HG2 MET 8 HG2 MET 8 -4.082 -6.559 -7.824 36 HG3 MET 8 HG3 MET 8 -4.493 -8.109 -7.094 37 HE1 MET 8 HE1 MET 8 -2.673 -8.559 -4.385 38 HE2 MET 8 HE2 MET 8 -4.018 -7.810 -3.525 39 HE3 MET 8 HE3 MET 8 -4.324 -8.787 -4.961 40 HA PRO 9 HA PRO 9 2.644 -7.812 -7.842 41 HB2 PRO 9 HB2 PRO 9 3.059 -8.787 -5.342 42 HB3 PRO 9 HB3 PRO 9 3.041 -7.058 -5.708 43 HG2 PRO 9 HG2 PRO 9 0.873 -8.773 -4.558 44 HG3 PRO 9 HG3 PRO 9 1.385 -7.144 -4.078 45 HD2 PRO 9 HD2 PRO 9 -0.794 -7.591 -5.622 46 HD3 PRO 9 HD3 PRO 9 0.210 -6.135 -5.785 47 H CYS 10 H CYS 10 3.088 -9.579 -8.992 48 HA CYS 10 HA CYS 10 2.119 -12.180 -7.999 49 HB2 CYS 10 HB2 CYS 10 1.883 -10.941 -10.632 50 HB3 CYS 10 HB3 CYS 10 2.611 -12.543 -10.702 51 H GLY 11 H GLY 11 4.098 -12.376 -6.807 52 HA2 GLY 11 HA2 GLY 11 6.276 -13.043 -6.501 53 HA3 GLY 11 HA3 GLY 11 6.042 -13.941 -7.993 54 H GLY 12 H GLY 12 6.612 -10.576 -6.944 55 HA2 GLY 12 HA2 GLY 12 8.181 -9.050 -7.661 56 HA3 GLY 12 HA3 GLY 12 9.006 -10.368 -8.480 57 H GLU 13 H GLU 13 5.741 -10.132 -9.339 58 HA GLU 13 HA GLU 13 6.449 -8.625 -11.771 59 HB2 GLU 13 HB2 GLU 13 4.388 -10.823 -11.635 60 HB3 GLU 13 HB3 GLU 13 5.039 -10.047 -13.072 61 HG2 GLU 13 HG2 GLU 13 7.235 -11.032 -12.590 62 HG3 GLU 13 HG3 GLU 13 6.547 -11.842 -11.184 63 H CYS 14 H CYS 14 4.000 -8.348 -12.912 64 HA CYS 14 HA CYS 14 2.167 -7.245 -10.942 65 HB2 CYS 14 HB2 CYS 14 3.987 -5.515 -11.783 66 HB3 CYS 14 HB3 CYS 14 2.920 -5.416 -13.180 67 H CYS 15 H CYS 15 0.357 -8.262 -11.512 68 HA CYS 15 HA CYS 15 -0.256 -8.633 -14.352 69 HB2 CYS 15 HB2 CYS 15 -0.370 -10.507 -12.559 70 HB3 CYS 15 HB3 CYS 15 -1.885 -9.746 -12.085 71 H CYS 16 H CYS 16 -1.379 -7.053 -15.271 72 HA CYS 16 HA CYS 16 -3.329 -5.559 -13.664 73 HB2 CYS 16 HB2 CYS 16 -2.262 -4.857 -16.403 74 HB3 CYS 16 HB3 CYS 16 -3.181 -3.817 -15.320 75 H GLU 17 H GLU 17 -5.411 -5.063 -14.567 76 HA GLU 17 HA GLU 17 -6.771 -7.271 -15.585 77 HB2 GLU 17 HB2 GLU 17 -7.400 -4.424 -15.114 78 HB3 GLU 17 HB3 GLU 17 -8.420 -5.238 -16.291 79 HG2 GLU 17 HG2 GLU 17 -8.221 -6.989 -14.118 80 HG3 GLU 17 HG3 GLU 17 -8.464 -5.384 -13.430 81 HA PRO 18 HA PRO 18 -8.938 -7.157 -16.812 82 HB2 PRO 18 HB2 PRO 18 -9.549 -9.184 -18.511 83 HB3 PRO 18 HB3 PRO 18 -10.008 -7.504 -18.815 84 HG2 PRO 18 HG2 PRO 18 -7.709 -9.069 -19.922 85 HG3 PRO 18 HG3 PRO 18 -8.807 -7.953 -20.755 86 HD2 PRO 18 HD2 PRO 18 -6.320 -7.231 -19.964 87 HD3 PRO 18 HD3 PRO 18 -7.676 -6.087 -20.011 88 H ASN 19 H ASN 19 -5.966 -8.644 -17.579 89 HA ASN 19 HA ASN 19 -6.258 -11.254 -16.723 90 HB2 ASN 19 HB2 ASN 19 -3.828 -9.621 -16.017 91 HB3 ASN 19 HB3 ASN 19 -3.916 -11.322 -16.467 92 HD21 ASN 19 HD21 ASN 19 -2.757 -8.571 -17.518 93 HD22 ASN 19 HD22 ASN 19 -2.971 -8.734 -19.224 94 H SER 20 H SER 20 -5.170 -12.110 -14.633 95 HA SER 20 HA SER 20 -5.836 -10.462 -12.309 96 HB2 SER 20 HB2 SER 20 -7.111 -13.069 -13.048 97 HB3 SER 20 HB3 SER 20 -6.862 -12.688 -11.344 98 HG SER 20 HG SER 20 -8.856 -11.904 -11.898 99 H CYS 21 H CYS 21 -4.746 -11.030 -10.405 100 HA CYS 21 HA CYS 21 -2.356 -12.660 -10.865 101 HB2 CYS 21 HB2 CYS 21 -2.100 -10.314 -10.055 102 HB3 CYS 21 HB3 CYS 21 -2.954 -10.767 -8.583 103 H ILE 22 H ILE 22 -3.126 -14.735 -10.562 104 HA ILE 22 HA ILE 22 -3.868 -15.387 -7.791 105 HB ILE 22 HB ILE 22 -5.011 -16.864 -10.152 106 HG12 ILE 22 HG12 ILE 22 -5.714 -14.462 -10.175 107 HG13 ILE 22 HG13 ILE 22 -7.045 -15.590 -9.940 108 HG21 ILE 22 HG21 ILE 22 -6.716 -17.481 -8.377 109 HG22 ILE 22 HG22 ILE 22 -5.104 -18.170 -8.195 110 HG23 ILE 22 HG23 ILE 22 -5.592 -16.795 -7.205 111 HD11 ILE 22 HD11 ILE 22 -5.819 -14.596 -7.471 112 HD12 ILE 22 HD12 ILE 22 -6.630 -13.377 -8.455 113 HD13 ILE 22 HD13 ILE 22 -7.517 -14.797 -7.902 114 H ASP 23 H ASP 23 -3.301 -17.527 -7.103 115 HA ASP 23 HA ASP 23 -1.808 -19.225 -6.833 116 HB2 ASP 23 HB2 ASP 23 -3.101 -19.800 -9.061 117 HB3 ASP 23 HB3 ASP 23 -1.528 -19.503 -9.797 118 H GLY 24 H GLY 24 -0.851 -16.410 -7.363 119 HA2 GLY 24 HA2 GLY 24 1.232 -15.421 -7.265 120 HA3 GLY 24 HA3 GLY 24 1.947 -17.025 -7.348 121 H THR 25 H THR 25 -0.193 -16.708 -9.864 122 HA THR 25 HA THR 25 1.913 -15.735 -11.684 123 HB THR 25 HB THR 25 1.576 -18.217 -11.814 124 HG1 THR 25 HG1 THR 25 2.314 -16.971 -13.628 125 HG21 THR 25 HG21 THR 25 -0.859 -18.210 -11.386 126 HG22 THR 25 HG22 THR 25 -0.437 -19.082 -12.860 127 HG23 THR 25 HG23 THR 25 -1.113 -17.456 -12.959 128 H CYS 26 H CYS 26 0.953 -15.161 -13.894 129 HA CYS 26 HA CYS 26 -1.285 -13.360 -13.417 130 HB2 CYS 26 HB2 CYS 26 0.925 -12.758 -14.629 131 HB3 CYS 26 HB3 CYS 26 0.222 -13.597 -16.008 132 H HIS 27 H HIS 27 -3.174 -14.459 -13.498 133 HA HIS 27 HA HIS 27 -3.668 -16.501 -15.466 134 HB2 HIS 27 HB2 HIS 27 -5.390 -15.200 -13.359 135 HB3 HIS 27 HB3 HIS 27 -6.019 -16.398 -14.486 136 HD1 HIS 27 HD1 HIS 27 -6.136 -18.611 -13.418 137 HD2 HIS 27 HD2 HIS 27 -2.850 -16.442 -12.090 138 HE1 HIS 27 HE1 HIS 27 -4.953 -20.114 -11.785 139 H HIS 28 H HIS 28 -3.698 -15.711 -17.511 140 HA HIS 28 HA HIS 28 -4.604 -13.257 -18.393 141 HB2 HIS 28 HB2 HIS 28 -5.009 -14.469 -20.605 142 HB3 HIS 28 HB3 HIS 28 -3.386 -14.577 -19.929 143 HD1 HIS 28 HD1 HIS 28 -2.733 -16.800 -20.928 144 HD2 HIS 28 HD2 HIS 28 -6.310 -16.962 -18.821 145 HE1 HIS 28 HE1 HIS 28 -3.306 -19.243 -20.764 146 H GLU 29 H GLU 29 -6.544 -12.874 -19.826 147 HA GLU 29 HA GLU 29 -8.923 -14.343 -18.964 148 HB2 GLU 29 HB2 GLU 29 -8.412 -11.413 -18.551 149 HB3 GLU 29 HB3 GLU 29 -10.052 -12.013 -18.753 150 HG2 GLU 29 HG2 GLU 29 -8.149 -13.049 -16.670 151 HG3 GLU 29 HG3 GLU 29 -9.293 -11.738 -16.387 152 H SER 30 H SER 30 -10.018 -14.913 -20.710 153 HA SER 30 HA SER 30 -10.027 -13.097 -23.029 154 HB2 SER 30 HB2 SER 30 -8.599 -15.031 -23.509 155 HB3 SER 30 HB3 SER 30 -9.916 -16.123 -23.084 156 HG SER 30 HG SER 30 -10.536 -15.936 -25.071 157 H SER 31 H SER 31 -12.017 -12.231 -22.313 158 HA SER 31 HA SER 31 -14.304 -14.004 -22.837 159 HB2 SER 31 HB2 SER 31 -14.247 -13.793 -20.445 160 HB3 SER 31 HB3 SER 31 -14.004 -12.050 -20.549 161 HG SER 31 HG SER 31 -16.184 -12.613 -20.087 162 HA PRO 32 HA PRO 32 -14.444 -10.129 -25.405 163 HB2 PRO 32 HB2 PRO 32 -14.983 -11.409 -27.737 164 HB3 PRO 32 HB3 PRO 32 -13.339 -11.141 -27.147 165 HG2 PRO 32 HG2 PRO 32 -15.038 -13.599 -26.968 166 HG3 PRO 32 HG3 PRO 32 -13.316 -13.455 -27.370 167 HD2 PRO 32 HD2 PRO 32 -14.182 -14.189 -24.911 168 HD3 PRO 32 HD3 PRO 32 -12.687 -13.263 -25.161 169 H ASN 33 H ASN 33 -16.270 -9.483 -26.932 170 HA ASN 33 HA ASN 33 -18.805 -10.606 -25.933 171 HB2 ASN 33 HB2 ASN 33 -18.213 -8.222 -25.260 172 HB3 ASN 33 HB3 ASN 33 -18.422 -7.792 -26.955 173 HD21 ASN 33 HD21 ASN 33 -20.192 -6.533 -26.780 174 HD22 ASN 33 HD22 ASN 33 -21.733 -7.094 -26.235 Start of MODEL 3 1 H1 GLU 1 H GLU 1 2.212 -1.542 -0.888 2 HA GLU 1 HA GLU 1 2.424 1.166 -1.914 3 HB2 GLU 1 HB2 GLU 1 4.071 0.352 -3.688 4 HB3 GLU 1 HB3 GLU 1 4.712 0.642 -2.077 5 HG2 GLU 1 HG2 GLU 1 3.793 -2.100 -2.738 6 HG3 GLU 1 HG3 GLU 1 5.303 -1.531 -3.448 7 H ASP 2 H ASP 2 2.198 1.041 -4.438 8 HA ASP 2 HA ASP 2 0.061 -0.906 -5.008 9 HB2 ASP 2 HB2 ASP 2 0.415 1.970 -5.792 10 HB3 ASP 2 HB3 ASP 2 -0.576 0.897 -6.777 11 H CYS 3 H CYS 3 -0.152 -1.595 -7.251 12 HA CYS 3 HA CYS 3 2.486 -1.918 -8.490 13 HB2 CYS 3 HB2 CYS 3 0.796 -3.852 -7.855 14 HB3 CYS 3 HB3 CYS 3 0.079 -3.433 -9.408 15 H GLY 4 H GLY 4 -0.875 -1.636 -9.669 16 HA2 GLY 4 HA2 GLY 4 -0.228 0.594 -11.353 17 HA3 GLY 4 HA3 GLY 4 -0.375 -0.904 -12.260 18 H SER 5 H SER 5 -2.129 0.356 -13.309 19 HA SER 5 HA SER 5 -4.475 1.095 -11.951 20 HB2 SER 5 HB2 SER 5 -4.202 0.225 -14.838 21 HB3 SER 5 HB3 SER 5 -5.524 1.171 -14.154 22 HG SER 5 HG SER 5 -4.187 2.664 -14.996 23 H ASP 6 H ASP 6 -5.228 -0.467 -10.571 24 HA ASP 6 HA ASP 6 -6.438 -2.275 -9.906 25 HB2 ASP 6 HB2 ASP 6 -7.064 -2.840 -12.798 26 HB3 ASP 6 HB3 ASP 6 -8.050 -3.177 -11.377 27 H CYS 7 H CYS 7 -3.608 -2.508 -10.689 28 HA CYS 7 HA CYS 7 -3.498 -5.330 -11.505 29 HB2 CYS 7 HB2 CYS 7 -1.084 -3.562 -11.288 30 HB3 CYS 7 HB3 CYS 7 -1.340 -4.969 -12.315 31 H MET 8 H MET 8 -1.909 -6.708 -10.409 32 HA MET 8 HA MET 8 -1.365 -5.896 -7.638 33 HB2 MET 8 HB2 MET 8 -2.598 -8.504 -8.537 34 HB3 MET 8 HB3 MET 8 -1.969 -8.220 -6.920 35 HG2 MET 8 HG2 MET 8 -3.612 -6.153 -7.038 36 HG3 MET 8 HG3 MET 8 -4.425 -7.184 -8.214 37 HE1 MET 8 HE1 MET 8 -6.813 -7.590 -5.591 38 HE2 MET 8 HE2 MET 8 -5.729 -6.587 -4.626 39 HE3 MET 8 HE3 MET 8 -5.970 -6.232 -6.338 40 HA PRO 9 HA PRO 9 2.669 -7.505 -8.273 41 HB2 PRO 9 HB2 PRO 9 3.291 -8.371 -5.777 42 HB3 PRO 9 HB3 PRO 9 3.203 -6.659 -6.205 43 HG2 PRO 9 HG2 PRO 9 1.170 -8.375 -4.833 44 HG3 PRO 9 HG3 PRO 9 1.674 -6.718 -4.454 45 HD2 PRO 9 HD2 PRO 9 -0.601 -7.273 -5.813 46 HD3 PRO 9 HD3 PRO 9 0.351 -5.803 -6.105 47 H CYS 10 H CYS 10 3.126 -9.310 -9.353 48 HA CYS 10 HA CYS 10 2.256 -11.888 -8.217 49 HB2 CYS 10 HB2 CYS 10 1.878 -10.760 -10.884 50 HB3 CYS 10 HB3 CYS 10 2.629 -12.352 -10.922 51 H GLY 11 H GLY 11 4.293 -11.994 -7.112 52 HA2 GLY 11 HA2 GLY 11 6.497 -12.605 -6.882 53 HA3 GLY 11 HA3 GLY 11 6.213 -13.568 -8.324 54 H GLY 12 H GLY 12 6.937 -10.231 -7.317 55 HA2 GLY 12 HA2 GLY 12 8.393 -8.689 -8.199 56 HA3 GLY 12 HA3 GLY 12 9.181 -10.024 -9.027 57 H GLU 13 H GLU 13 5.871 -9.818 -9.711 58 HA GLU 13 HA GLU 13 6.405 -8.291 -12.171 59 HB2 GLU 13 HB2 GLU 13 4.526 -10.644 -12.047 60 HB3 GLU 13 HB3 GLU 13 5.135 -9.817 -13.474 61 HG2 GLU 13 HG2 GLU 13 7.458 -10.622 -12.522 62 HG3 GLU 13 HG3 GLU 13 6.447 -11.839 -11.745 63 H CYS 14 H CYS 14 3.914 -8.214 -13.248 64 HA CYS 14 HA CYS 14 2.062 -7.278 -11.200 65 HB2 CYS 14 HB2 CYS 14 3.666 -5.401 -12.139 66 HB3 CYS 14 HB3 CYS 14 2.552 -5.435 -13.502 67 H CYS 15 H CYS 15 0.057 -7.890 -11.673 68 HA CYS 15 HA CYS 15 -0.555 -8.605 -14.465 69 HB2 CYS 15 HB2 CYS 15 -0.524 -10.411 -12.597 70 HB3 CYS 15 HB3 CYS 15 -2.053 -9.695 -12.100 71 H CYS 16 H CYS 16 -1.796 -7.132 -15.404 72 HA CYS 16 HA CYS 16 -3.734 -5.645 -13.774 73 HB2 CYS 16 HB2 CYS 16 -2.808 -5.016 -16.582 74 HB3 CYS 16 HB3 CYS 16 -3.729 -3.970 -15.505 75 H GLU 17 H GLU 17 -5.875 -5.299 -14.573 76 HA GLU 17 HA GLU 17 -7.170 -7.597 -15.466 77 HB2 GLU 17 HB2 GLU 17 -7.914 -4.777 -15.024 78 HB3 GLU 17 HB3 GLU 17 -8.940 -5.651 -16.153 79 HG2 GLU 17 HG2 GLU 17 -8.519 -7.313 -13.900 80 HG3 GLU 17 HG3 GLU 17 -8.962 -5.709 -13.320 81 HA PRO 18 HA PRO 18 -9.395 -7.626 -16.588 82 HB2 PRO 18 HB2 PRO 18 -9.983 -9.730 -18.199 83 HB3 PRO 18 HB3 PRO 18 -10.540 -8.085 -18.527 84 HG2 PRO 18 HG2 PRO 18 -8.220 -9.568 -19.700 85 HG3 PRO 18 HG3 PRO 18 -9.411 -8.533 -20.509 86 HD2 PRO 18 HD2 PRO 18 -6.929 -7.667 -19.861 87 HD3 PRO 18 HD3 PRO 18 -8.342 -6.592 -19.874 88 H ASN 19 H ASN 19 -6.390 -8.983 -17.452 89 HA ASN 19 HA ASN 19 -6.502 -11.579 -16.521 90 HB2 ASN 19 HB2 ASN 19 -4.140 -9.802 -15.950 91 HB3 ASN 19 HB3 ASN 19 -4.152 -11.514 -16.361 92 HD21 ASN 19 HD21 ASN 19 -3.217 -8.706 -17.513 93 HD22 ASN 19 HD22 ASN 19 -3.477 -8.929 -19.207 94 H SER 20 H SER 20 -5.309 -12.334 -14.459 95 HA SER 20 HA SER 20 -5.963 -10.662 -12.148 96 HB2 SER 20 HB2 SER 20 -7.127 -13.349 -12.777 97 HB3 SER 20 HB3 SER 20 -6.834 -12.913 -11.093 98 HG SER 20 HG SER 20 -8.855 -12.199 -11.507 99 H CYS 21 H CYS 21 -4.775 -11.131 -10.274 100 HA CYS 21 HA CYS 21 -2.323 -12.647 -10.792 101 HB2 CYS 21 HB2 CYS 21 -2.203 -10.252 -10.035 102 HB3 CYS 21 HB3 CYS 21 -2.903 -10.762 -8.502 103 H ILE 22 H ILE 22 -2.974 -14.750 -10.410 104 HA ILE 22 HA ILE 22 -3.577 -15.367 -7.597 105 HB ILE 22 HB ILE 22 -4.723 -16.961 -9.878 106 HG12 ILE 22 HG12 ILE 22 -5.555 -14.599 -9.926 107 HG13 ILE 22 HG13 ILE 22 -6.814 -15.791 -9.619 108 HG21 ILE 22 HG21 ILE 22 -5.229 -16.840 -6.916 109 HG22 ILE 22 HG22 ILE 22 -6.315 -17.650 -8.044 110 HG23 ILE 22 HG23 ILE 22 -4.652 -18.207 -7.868 111 HD11 ILE 22 HD11 ILE 22 -5.528 -14.621 -7.242 112 HD12 ILE 22 HD12 ILE 22 -6.534 -13.541 -8.208 113 HD13 ILE 22 HD13 ILE 22 -7.218 -15.025 -7.543 114 H ASP 23 H ASP 23 -2.867 -17.450 -6.876 115 HA ASP 23 HA ASP 23 -1.277 -19.059 -6.620 116 HB2 ASP 23 HB2 ASP 23 -2.620 -19.779 -8.766 117 HB3 ASP 23 HB3 ASP 23 -1.111 -19.395 -9.590 118 H GLY 24 H GLY 24 -0.493 -16.214 -7.261 119 HA2 GLY 24 HA2 GLY 24 1.537 -15.116 -7.267 120 HA3 GLY 24 HA3 GLY 24 2.332 -16.681 -7.340 121 H THR 25 H THR 25 0.083 -16.540 -9.776 122 HA THR 25 HA THR 25 2.062 -15.505 -11.701 123 HB THR 25 HB THR 25 1.856 -18.005 -11.754 124 HG1 THR 25 HG1 THR 25 0.836 -17.030 -14.187 125 HG21 THR 25 HG21 THR 25 -0.908 -17.418 -12.823 126 HG22 THR 25 HG22 THR 25 -0.559 -18.117 -11.241 127 HG23 THR 25 HG23 THR 25 -0.142 -19.002 -12.708 128 H CYS 26 H CYS 26 1.000 -15.020 -13.876 129 HA CYS 26 HA CYS 26 -1.321 -13.343 -13.358 130 HB2 CYS 26 HB2 CYS 26 0.806 -12.647 -14.663 131 HB3 CYS 26 HB3 CYS 26 0.104 -13.558 -15.997 132 H HIS 27 H HIS 27 -3.147 -14.545 -13.344 133 HA HIS 27 HA HIS 27 -3.597 -16.660 -15.245 134 HB2 HIS 27 HB2 HIS 27 -5.313 -15.401 -13.107 135 HB3 HIS 27 HB3 HIS 27 -5.914 -16.661 -14.182 136 HD1 HIS 27 HD1 HIS 27 -5.872 -18.847 -13.054 137 HD2 HIS 27 HD2 HIS 27 -2.662 -16.472 -11.908 138 HE1 HIS 27 HE1 HIS 27 -4.550 -20.240 -11.431 139 H HIS 28 H HIS 28 -3.754 -15.938 -17.306 140 HA HIS 28 HA HIS 28 -4.834 -13.553 -18.203 141 HB2 HIS 28 HB2 HIS 28 -5.219 -14.831 -20.380 142 HB3 HIS 28 HB3 HIS 28 -3.574 -14.820 -19.750 143 HD1 HIS 28 HD1 HIS 28 -2.723 -17.017 -20.588 144 HD2 HIS 28 HD2 HIS 28 -6.386 -17.367 -18.659 145 HE1 HIS 28 HE1 HIS 28 -3.151 -19.488 -20.400 146 H GLU 29 H GLU 29 -6.838 -13.273 -19.526 147 HA GLU 29 HA GLU 29 -9.087 -14.908 -18.614 148 HB2 GLU 29 HB2 GLU 29 -8.666 -12.010 -18.064 149 HB3 GLU 29 HB3 GLU 29 -10.298 -12.548 -18.434 150 HG2 GLU 29 HG2 GLU 29 -8.543 -13.542 -16.203 151 HG3 GLU 29 HG3 GLU 29 -9.962 -12.508 -16.052 152 H SER 30 H SER 30 -11.029 -14.616 -19.896 153 HA SER 30 HA SER 30 -10.364 -14.096 -22.681 154 HB2 SER 30 HB2 SER 30 -13.033 -15.064 -21.676 155 HB3 SER 30 HB3 SER 30 -12.282 -15.342 -23.247 156 HG SER 30 HG SER 30 -12.100 -16.808 -21.003 157 H SER 31 H SER 31 -11.536 -12.697 -24.028 158 HA SER 31 HA SER 31 -13.184 -10.692 -22.637 159 HB2 SER 31 HB2 SER 31 -10.946 -9.765 -23.075 160 HB3 SER 31 HB3 SER 31 -11.124 -10.144 -24.788 161 HG SER 31 HG SER 31 -13.019 -8.536 -23.462 162 HA PRO 32 HA PRO 32 -15.461 -12.492 -26.266 163 HB2 PRO 32 HB2 PRO 32 -17.791 -12.858 -24.922 164 HB3 PRO 32 HB3 PRO 32 -16.494 -14.059 -24.940 165 HG2 PRO 32 HG2 PRO 32 -17.168 -12.032 -22.843 166 HG3 PRO 32 HG3 PRO 32 -16.713 -13.734 -22.648 167 HD2 PRO 32 HD2 PRO 32 -14.959 -11.705 -22.275 168 HD3 PRO 32 HD3 PRO 32 -14.465 -13.292 -22.899 169 H ASN 33 H ASN 33 -15.587 -10.581 -27.404 170 HA ASN 33 HA ASN 33 -16.936 -8.265 -26.458 171 HB2 ASN 33 HB2 ASN 33 -16.432 -8.887 -29.363 172 HB3 ASN 33 HB3 ASN 33 -16.483 -7.313 -28.574 173 HD21 ASN 33 HD21 ASN 33 -14.662 -6.475 -27.748 174 HD22 ASN 33 HD22 ASN 33 -13.127 -7.269 -27.754 Start of MODEL 4 1 H1 GLU 1 H GLU 1 0.368 -0.798 0.155 2 HA GLU 1 HA GLU 1 1.995 0.633 -1.821 3 HB2 GLU 1 HB2 GLU 1 3.303 -0.689 -0.307 4 HB3 GLU 1 HB3 GLU 1 2.279 -2.096 -0.562 5 HG2 GLU 1 HG2 GLU 1 3.668 -0.928 -2.911 6 HG3 GLU 1 HG3 GLU 1 4.618 -1.845 -1.744 7 H ASP 2 H ASP 2 1.268 0.653 -3.833 8 HA ASP 2 HA ASP 2 -0.330 -1.629 -4.785 9 HB2 ASP 2 HB2 ASP 2 -0.341 1.285 -5.548 10 HB3 ASP 2 HB3 ASP 2 -1.068 0.054 -6.577 11 H CYS 3 H CYS 3 -0.194 -1.737 -7.323 12 HA CYS 3 HA CYS 3 2.671 -1.793 -8.004 13 HB2 CYS 3 HB2 CYS 3 1.343 -3.987 -7.844 14 HB3 CYS 3 HB3 CYS 3 0.546 -3.470 -9.327 15 H GLY 4 H GLY 4 -0.397 -1.837 -9.830 16 HA2 GLY 4 HA2 GLY 4 0.398 0.598 -11.226 17 HA3 GLY 4 HA3 GLY 4 0.262 -0.855 -12.206 18 H SER 5 H SER 5 -1.366 0.444 -13.352 19 HA SER 5 HA SER 5 -3.767 1.282 -12.158 20 HB2 SER 5 HB2 SER 5 -4.672 1.247 -14.492 21 HB3 SER 5 HB3 SER 5 -3.140 2.108 -14.343 22 HG SER 5 HG SER 5 -3.148 0.695 -16.138 23 H ASP 6 H ASP 6 -4.682 -0.245 -10.840 24 HA ASP 6 HA ASP 6 -6.011 -2.000 -10.266 25 HB2 ASP 6 HB2 ASP 6 -6.456 -2.509 -13.203 26 HB3 ASP 6 HB3 ASP 6 -7.543 -2.852 -11.860 27 H CYS 7 H CYS 7 -3.147 -2.356 -10.850 28 HA CYS 7 HA CYS 7 -3.100 -5.177 -11.676 29 HB2 CYS 7 HB2 CYS 7 -0.629 -3.529 -11.261 30 HB3 CYS 7 HB3 CYS 7 -0.880 -4.905 -12.330 31 H MET 8 H MET 8 -1.668 -6.634 -10.476 32 HA MET 8 HA MET 8 -1.306 -5.863 -7.663 33 HB2 MET 8 HB2 MET 8 -2.555 -8.416 -8.688 34 HB3 MET 8 HB3 MET 8 -2.046 -8.170 -7.023 35 HG2 MET 8 HG2 MET 8 -3.599 -6.057 -7.212 36 HG3 MET 8 HG3 MET 8 -4.341 -7.002 -8.501 37 HE1 MET 8 HE1 MET 8 -6.291 -7.044 -4.888 38 HE2 MET 8 HE2 MET 8 -4.699 -6.312 -4.686 39 HE3 MET 8 HE3 MET 8 -5.706 -5.867 -6.064 40 HA PRO 9 HA PRO 9 2.708 -7.608 -8.001 41 HB2 PRO 9 HB2 PRO 9 3.104 -8.510 -5.471 42 HB3 PRO 9 HB3 PRO 9 3.109 -6.793 -5.890 43 HG2 PRO 9 HG2 PRO 9 0.917 -8.444 -4.694 44 HG3 PRO 9 HG3 PRO 9 1.448 -6.808 -4.263 45 HD2 PRO 9 HD2 PRO 9 -0.733 -7.275 -5.799 46 HD3 PRO 9 HD3 PRO 9 0.289 -5.838 -6.004 47 H CYS 10 H CYS 10 3.153 -9.417 -9.080 48 HA CYS 10 HA CYS 10 2.133 -11.972 -8.021 49 HB2 CYS 10 HB2 CYS 10 1.951 -10.814 -10.694 50 HB3 CYS 10 HB3 CYS 10 2.655 -12.427 -10.703 51 H GLY 11 H GLY 11 4.092 -12.160 -6.796 52 HA2 GLY 11 HA2 GLY 11 6.256 -12.845 -6.438 53 HA3 GLY 11 HA3 GLY 11 6.029 -13.787 -7.904 54 H GLY 12 H GLY 12 6.639 -10.401 -6.950 55 HA2 GLY 12 HA2 GLY 12 8.238 -8.920 -7.694 56 HA3 GLY 12 HA3 GLY 12 9.053 -10.275 -8.463 57 H GLU 13 H GLU 13 5.804 -10.022 -9.372 58 HA GLU 13 HA GLU 13 6.561 -8.589 -11.834 59 HB2 GLU 13 HB2 GLU 13 4.484 -10.770 -11.676 60 HB3 GLU 13 HB3 GLU 13 5.168 -10.039 -13.120 61 HG2 GLU 13 HG2 GLU 13 7.355 -11.018 -12.543 62 HG3 GLU 13 HG3 GLU 13 6.605 -11.812 -11.160 63 H CYS 14 H CYS 14 4.130 -8.331 -13.020 64 HA CYS 14 HA CYS 14 2.276 -7.163 -11.106 65 HB2 CYS 14 HB2 CYS 14 4.105 -5.462 -11.956 66 HB3 CYS 14 HB3 CYS 14 3.088 -5.415 -13.393 67 H CYS 15 H CYS 15 0.411 -8.064 -11.660 68 HA CYS 15 HA CYS 15 -0.154 -8.558 -14.498 69 HB2 CYS 15 HB2 CYS 15 -0.297 -10.386 -12.659 70 HB3 CYS 15 HB3 CYS 15 -1.813 -9.603 -12.221 71 H CYS 16 H CYS 16 -1.268 -7.005 -15.471 72 HA CYS 16 HA CYS 16 -3.218 -5.455 -13.917 73 HB2 CYS 16 HB2 CYS 16 -2.130 -4.825 -16.665 74 HB3 CYS 16 HB3 CYS 16 -3.041 -3.752 -15.607 75 H GLU 17 H GLU 17 -5.289 -4.970 -14.850 76 HA GLU 17 HA GLU 17 -6.654 -7.193 -15.826 77 HB2 GLU 17 HB2 GLU 17 -7.271 -4.319 -15.466 78 HB3 GLU 17 HB3 GLU 17 -8.301 -5.196 -16.589 79 HG2 GLU 17 HG2 GLU 17 -8.456 -6.925 -14.638 80 HG3 GLU 17 HG3 GLU 17 -7.970 -5.548 -13.651 81 HA PRO 18 HA PRO 18 -8.809 -7.096 -17.076 82 HB2 PRO 18 HB2 PRO 18 -9.418 -9.161 -18.729 83 HB3 PRO 18 HB3 PRO 18 -9.863 -7.487 -19.080 84 HG2 PRO 18 HG2 PRO 18 -7.563 -9.094 -20.125 85 HG3 PRO 18 HG3 PRO 18 -8.646 -7.992 -20.996 86 HD2 PRO 18 HD2 PRO 18 -6.162 -7.266 -20.200 87 HD3 PRO 18 HD3 PRO 18 -7.511 -6.115 -20.289 88 H ASN 19 H ASN 19 -5.839 -8.617 -17.773 89 HA ASN 19 HA ASN 19 -6.156 -11.204 -16.855 90 HB2 ASN 19 HB2 ASN 19 -3.722 -9.569 -16.168 91 HB3 ASN 19 HB3 ASN 19 -3.816 -11.280 -16.575 92 HD21 ASN 19 HD21 ASN 19 -2.632 -8.563 -17.685 93 HD22 ASN 19 HD22 ASN 19 -2.830 -8.769 -19.389 94 H SER 20 H SER 20 -5.082 -12.008 -14.733 95 HA SER 20 HA SER 20 -5.760 -10.299 -12.458 96 HB2 SER 20 HB2 SER 20 -7.051 -12.913 -13.144 97 HB3 SER 20 HB3 SER 20 -6.812 -12.493 -11.448 98 HG SER 20 HG SER 20 -8.339 -11.145 -13.403 99 H CYS 21 H CYS 21 -4.698 -10.835 -10.527 100 HA CYS 21 HA CYS 21 -2.314 -12.489 -10.925 101 HB2 CYS 21 HB2 CYS 21 -2.053 -10.126 -10.165 102 HB3 CYS 21 HB3 CYS 21 -2.920 -10.543 -8.691 103 H ILE 22 H ILE 22 -3.098 -14.552 -10.582 104 HA ILE 22 HA ILE 22 -3.872 -15.136 -7.805 105 HB ILE 22 HB ILE 22 -5.005 -16.656 -10.142 106 HG12 ILE 22 HG12 ILE 22 -5.690 -14.249 -10.223 107 HG13 ILE 22 HG13 ILE 22 -7.031 -15.363 -9.977 108 HG21 ILE 22 HG21 ILE 22 -6.729 -17.225 -8.372 109 HG22 ILE 22 HG22 ILE 22 -5.121 -17.917 -8.156 110 HG23 ILE 22 HG23 ILE 22 -5.614 -16.517 -7.203 111 HD11 ILE 22 HD11 ILE 22 -6.700 -13.136 -8.555 112 HD12 ILE 22 HD12 ILE 22 -7.470 -14.584 -7.907 113 HD13 ILE 22 HD13 ILE 22 -5.776 -14.251 -7.550 114 H ASP 23 H ASP 23 -3.326 -17.263 -7.063 115 HA ASP 23 HA ASP 23 -1.849 -18.965 -6.741 116 HB2 ASP 23 HB2 ASP 23 -3.134 -19.666 -8.881 117 HB3 ASP 23 HB3 ASP 23 -1.646 -19.253 -9.727 118 H GLY 24 H GLY 24 -0.864 -16.172 -7.323 119 HA2 GLY 24 HA2 GLY 24 1.224 -15.195 -7.234 120 HA3 GLY 24 HA3 GLY 24 1.928 -16.806 -7.271 121 H THR 25 H THR 25 -0.191 -16.524 -9.814 122 HA THR 25 HA THR 25 1.940 -15.617 -11.638 123 HB THR 25 HB THR 25 1.582 -18.099 -11.710 124 HG1 THR 25 HG1 THR 25 1.763 -18.112 -13.909 125 HG21 THR 25 HG21 THR 25 -1.089 -17.341 -12.900 126 HG22 THR 25 HG22 THR 25 -0.855 -18.064 -11.308 127 HG23 THR 25 HG23 THR 25 -0.427 -18.969 -12.760 128 H CYS 26 H CYS 26 1.008 -15.081 -13.866 129 HA CYS 26 HA CYS 26 -1.221 -13.255 -13.454 130 HB2 CYS 26 HB2 CYS 26 1.003 -12.697 -14.658 131 HB3 CYS 26 HB3 CYS 26 0.310 -13.565 -16.023 132 H HIS 27 H HIS 27 -3.118 -14.340 -13.527 133 HA HIS 27 HA HIS 27 -3.611 -16.425 -15.450 134 HB2 HIS 27 HB2 HIS 27 -5.340 -15.060 -13.389 135 HB3 HIS 27 HB3 HIS 27 -5.971 -16.277 -14.495 136 HD1 HIS 27 HD1 HIS 27 -6.116 -18.466 -13.381 137 HD2 HIS 27 HD2 HIS 27 -2.824 -16.297 -12.069 138 HE1 HIS 27 HE1 HIS 27 -4.963 -19.943 -11.704 139 H HIS 28 H HIS 28 -3.613 -15.682 -17.513 140 HA HIS 28 HA HIS 28 -4.490 -13.244 -18.462 141 HB2 HIS 28 HB2 HIS 28 -4.894 -14.512 -20.647 142 HB3 HIS 28 HB3 HIS 28 -3.275 -14.604 -19.960 143 HD1 HIS 28 HD1 HIS 28 -2.798 -16.841 -21.152 144 HD2 HIS 28 HD2 HIS 28 -6.029 -16.967 -18.544 145 HE1 HIS 28 HE1 HIS 28 -3.331 -19.281 -20.858 146 H GLU 29 H GLU 29 -6.415 -12.905 -19.948 147 HA GLU 29 HA GLU 29 -8.814 -14.314 -19.045 148 HB2 GLU 29 HB2 GLU 29 -8.272 -11.379 -18.743 149 HB3 GLU 29 HB3 GLU 29 -9.918 -11.958 -18.956 150 HG2 GLU 29 HG2 GLU 29 -9.142 -13.591 -16.989 151 HG3 GLU 29 HG3 GLU 29 -8.098 -12.213 -16.648 152 H SER 30 H SER 30 -10.778 -13.453 -20.340 153 HA SER 30 HA SER 30 -10.045 -12.625 -23.044 154 HB2 SER 30 HB2 SER 30 -11.402 -14.460 -24.035 155 HB3 SER 30 HB3 SER 30 -9.980 -15.052 -23.175 156 HG SER 30 HG SER 30 -11.851 -16.253 -22.647 157 H SER 31 H SER 31 -11.806 -11.809 -24.280 158 HA SER 31 HA SER 31 -14.331 -11.412 -22.854 159 HB2 SER 31 HB2 SER 31 -14.211 -8.959 -23.707 160 HB3 SER 31 HB3 SER 31 -13.315 -9.392 -22.251 161 HG SER 31 HG SER 31 -11.450 -9.294 -23.346 162 HA PRO 32 HA PRO 32 -14.788 -12.468 -27.373 163 HB2 PRO 32 HB2 PRO 32 -16.523 -14.517 -26.974 164 HB3 PRO 32 HB3 PRO 32 -14.768 -14.727 -26.957 165 HG2 PRO 32 HG2 PRO 32 -16.665 -14.453 -24.658 166 HG3 PRO 32 HG3 PRO 32 -15.297 -15.564 -24.853 167 HD2 PRO 32 HD2 PRO 32 -15.136 -13.301 -23.376 168 HD3 PRO 32 HD3 PRO 32 -13.749 -13.961 -24.265 169 H ASN 33 H ASN 33 -16.856 -11.676 -24.730 170 HA ASN 33 HA ASN 33 -19.264 -11.416 -26.273 171 HB2 ASN 33 HB2 ASN 33 -20.083 -10.215 -24.187 172 HB3 ASN 33 HB3 ASN 33 -19.565 -11.883 -23.962 173 HD21 ASN 33 HD21 ASN 33 -18.580 -12.103 -22.100 174 HD22 ASN 33 HD22 ASN 33 -17.451 -10.995 -21.403 Start of MODEL 5 1 H1 GLU 1 H GLU 1 -1.142 -3.439 -1.635 2 HA GLU 1 HA GLU 1 0.437 -0.965 -1.512 3 HB2 GLU 1 HB2 GLU 1 2.276 -2.111 -2.720 4 HB3 GLU 1 HB3 GLU 1 2.008 -2.753 -1.105 5 HG2 GLU 1 HG2 GLU 1 0.746 -4.622 -2.076 6 HG3 GLU 1 HG3 GLU 1 1.080 -3.989 -3.687 7 H ASP 2 H ASP 2 0.778 0.079 -3.501 8 HA ASP 2 HA ASP 2 -1.222 -0.594 -5.520 9 HB2 ASP 2 HB2 ASP 2 0.509 1.871 -5.224 10 HB3 ASP 2 HB3 ASP 2 -0.772 1.656 -6.414 11 H CYS 3 H CYS 3 -0.648 -1.790 -7.198 12 HA CYS 3 HA CYS 3 2.158 -1.985 -7.959 13 HB2 CYS 3 HB2 CYS 3 0.432 -3.947 -7.701 14 HB3 CYS 3 HB3 CYS 3 -0.039 -3.487 -9.334 15 H GLY 4 H GLY 4 -0.903 -1.671 -9.776 16 HA2 GLY 4 HA2 GLY 4 0.102 0.566 -11.279 17 HA3 GLY 4 HA3 GLY 4 0.064 -0.923 -12.212 18 H SER 5 H SER 5 -1.429 0.431 -13.532 19 HA SER 5 HA SER 5 -3.952 1.234 -12.596 20 HB2 SER 5 HB2 SER 5 -3.303 0.366 -15.419 21 HB3 SER 5 HB3 SER 5 -4.569 1.482 -14.907 22 HG SER 5 HG SER 5 -2.708 2.751 -14.029 23 H ASP 6 H ASP 6 -5.002 -0.313 -11.411 24 HA ASP 6 HA ASP 6 -6.370 -2.085 -11.010 25 HB2 ASP 6 HB2 ASP 6 -7.268 -1.221 -13.304 26 HB3 ASP 6 HB3 ASP 6 -6.510 -2.674 -13.949 27 H CYS 7 H CYS 7 -3.461 -2.417 -11.261 28 HA CYS 7 HA CYS 7 -3.295 -5.224 -12.118 29 HB2 CYS 7 HB2 CYS 7 -0.903 -3.565 -11.400 30 HB3 CYS 7 HB3 CYS 7 -1.017 -4.929 -12.507 31 H MET 8 H MET 8 -1.997 -6.689 -10.781 32 HA MET 8 HA MET 8 -1.974 -5.957 -7.934 33 HB2 MET 8 HB2 MET 8 -3.054 -8.511 -9.135 34 HB3 MET 8 HB3 MET 8 -2.751 -8.282 -7.418 35 HG2 MET 8 HG2 MET 8 -4.304 -6.195 -7.749 36 HG3 MET 8 HG3 MET 8 -4.864 -7.109 -9.147 37 HE1 MET 8 HE1 MET 8 -5.472 -6.611 -5.302 38 HE2 MET 8 HE2 MET 8 -6.418 -6.032 -6.674 39 HE3 MET 8 HE3 MET 8 -7.080 -7.270 -5.605 40 HA PRO 9 HA PRO 9 2.076 -7.646 -7.821 41 HB2 PRO 9 HB2 PRO 9 2.183 -8.590 -5.278 42 HB3 PRO 9 HB3 PRO 9 2.213 -6.865 -5.664 43 HG2 PRO 9 HG2 PRO 9 -0.081 -8.566 -4.765 44 HG3 PRO 9 HG3 PRO 9 0.371 -6.932 -4.246 45 HD2 PRO 9 HD2 PRO 9 -1.605 -7.398 -6.038 46 HD3 PRO 9 HD3 PRO 9 -0.588 -5.944 -6.095 47 H CYS 10 H CYS 10 2.644 -9.425 -8.896 48 HA CYS 10 HA CYS 10 1.567 -12.015 -7.989 49 HB2 CYS 10 HB2 CYS 10 1.636 -10.808 -10.646 50 HB3 CYS 10 HB3 CYS 10 2.368 -12.409 -10.613 51 H GLY 11 H GLY 11 3.389 -12.211 -6.577 52 HA2 GLY 11 HA2 GLY 11 5.518 -12.868 -6.012 53 HA3 GLY 11 HA3 GLY 11 5.458 -13.781 -7.512 54 H GLY 12 H GLY 12 5.887 -10.397 -6.457 55 HA2 GLY 12 HA2 GLY 12 7.533 -8.878 -6.997 56 HA3 GLY 12 HA3 GLY 12 8.450 -10.204 -7.697 57 H GLU 13 H GLU 13 5.306 -9.979 -8.933 58 HA GLU 13 HA GLU 13 6.299 -8.514 -11.290 59 HB2 GLU 13 HB2 GLU 13 4.211 -10.690 -11.356 60 HB3 GLU 13 HB3 GLU 13 5.034 -9.947 -12.720 61 HG2 GLU 13 HG2 GLU 13 7.104 -10.991 -12.116 62 HG3 GLU 13 HG3 GLU 13 6.403 -11.612 -10.623 63 H CYS 14 H CYS 14 3.996 -8.237 -12.706 64 HA CYS 14 HA CYS 14 1.961 -7.089 -10.976 65 HB2 CYS 14 HB2 CYS 14 3.892 -5.390 -11.636 66 HB3 CYS 14 HB3 CYS 14 2.970 -5.290 -13.133 67 H CYS 15 H CYS 15 0.264 -8.186 -11.748 68 HA CYS 15 HA CYS 15 -0.031 -8.559 -14.632 69 HB2 CYS 15 HB2 CYS 15 -0.366 -10.406 -12.838 70 HB3 CYS 15 HB3 CYS 15 -1.923 -9.632 -12.559 71 H CYS 16 H CYS 16 -1.032 -6.992 -15.701 72 HA CYS 16 HA CYS 16 -3.150 -5.468 -14.355 73 HB2 CYS 16 HB2 CYS 16 -1.760 -4.803 -16.955 74 HB3 CYS 16 HB3 CYS 16 -2.796 -3.747 -16.001 75 H GLU 17 H GLU 17 -5.106 -4.974 -15.510 76 HA GLU 17 HA GLU 17 -6.347 -7.189 -16.655 77 HB2 GLU 17 HB2 GLU 17 -7.008 -4.324 -16.327 78 HB3 GLU 17 HB3 GLU 17 -7.897 -5.178 -17.580 79 HG2 GLU 17 HG2 GLU 17 -8.484 -6.898 -15.851 80 HG3 GLU 17 HG3 GLU 17 -7.793 -5.813 -14.646 81 HA PRO 18 HA PRO 18 -8.348 -7.085 -18.137 82 HB2 PRO 18 HB2 PRO 18 -8.760 -9.135 -19.868 83 HB3 PRO 18 HB3 PRO 18 -9.169 -7.458 -20.250 84 HG2 PRO 18 HG2 PRO 18 -6.762 -9.049 -21.047 85 HG3 PRO 18 HG3 PRO 18 -7.744 -7.942 -22.023 86 HD2 PRO 18 HD2 PRO 18 -5.367 -7.218 -20.947 87 HD3 PRO 18 HD3 PRO 18 -6.701 -6.069 -21.175 88 H ASN 19 H ASN 19 -5.313 -8.591 -18.511 89 HA ASN 19 HA ASN 19 -5.724 -11.188 -17.658 90 HB2 ASN 19 HB2 ASN 19 -3.383 -9.557 -16.695 91 HB3 ASN 19 HB3 ASN 19 -3.429 -11.264 -17.124 92 HD21 ASN 19 HD21 ASN 19 -2.132 -8.539 -18.073 93 HD22 ASN 19 HD22 ASN 19 -2.143 -8.729 -19.791 94 H SER 20 H SER 20 -4.873 -12.002 -15.434 95 HA SER 20 HA SER 20 -5.803 -10.315 -13.234 96 HB2 SER 20 HB2 SER 20 -7.012 -12.921 -14.079 97 HB3 SER 20 HB3 SER 20 -6.957 -12.519 -12.363 98 HG SER 20 HG SER 20 -7.963 -10.465 -13.041 99 H CYS 21 H CYS 21 -4.961 -10.874 -11.201 100 HA CYS 21 HA CYS 21 -2.546 -12.524 -11.352 101 HB2 CYS 21 HB2 CYS 21 -2.366 -10.170 -10.548 102 HB3 CYS 21 HB3 CYS 21 -3.395 -10.595 -9.183 103 H ILE 22 H ILE 22 -3.367 -14.589 -11.118 104 HA ILE 22 HA ILE 22 -4.439 -15.197 -8.446 105 HB ILE 22 HB ILE 22 -5.307 -16.696 -10.908 106 HG12 ILE 22 HG12 ILE 22 -5.981 -14.288 -11.041 107 HG13 ILE 22 HG13 ILE 22 -7.340 -15.403 -10.954 108 HG21 ILE 22 HG21 ILE 22 -7.277 -16.909 -9.037 109 HG22 ILE 22 HG22 ILE 22 -5.985 -18.082 -9.283 110 HG23 ILE 22 HG23 ILE 22 -5.829 -16.848 -8.032 111 HD11 ILE 22 HD11 ILE 22 -6.441 -14.436 -8.353 112 HD12 ILE 22 HD12 ILE 22 -7.031 -13.171 -9.432 113 HD13 ILE 22 HD13 ILE 22 -8.065 -14.542 -9.031 114 H ASP 23 H ASP 23 -3.975 -17.330 -7.667 115 HA ASP 23 HA ASP 23 -2.542 -19.036 -7.200 116 HB2 ASP 23 HB2 ASP 23 -3.587 -19.757 -9.436 117 HB3 ASP 23 HB3 ASP 23 -2.058 -19.272 -10.164 118 H GLY 24 H GLY 24 -1.502 -16.238 -7.649 119 HA2 GLY 24 HA2 GLY 24 0.565 -15.264 -7.320 120 HA3 GLY 24 HA3 GLY 24 1.268 -16.874 -7.296 121 H THR 25 H THR 25 -0.557 -16.574 -10.052 122 HA THR 25 HA THR 25 1.758 -15.645 -11.623 123 HB THR 25 HB THR 25 1.412 -18.126 -11.758 124 HG1 THR 25 HG1 THR 25 2.381 -16.921 -13.485 125 HG21 THR 25 HG21 THR 25 -1.055 -18.093 -11.627 126 HG22 THR 25 HG22 THR 25 -0.469 -18.985 -13.031 127 HG23 THR 25 HG23 THR 25 -1.111 -17.355 -13.227 128 H CYS 26 H CYS 26 1.073 -15.092 -13.938 129 HA CYS 26 HA CYS 26 -1.189 -13.268 -13.752 130 HB2 CYS 26 HB2 CYS 26 1.153 -12.698 -14.699 131 HB3 CYS 26 HB3 CYS 26 0.615 -13.553 -16.141 132 H HIS 27 H HIS 27 -3.065 -14.353 -14.042 133 HA HIS 27 HA HIS 27 -3.342 -16.419 -16.029 134 HB2 HIS 27 HB2 HIS 27 -5.288 -15.075 -14.156 135 HB3 HIS 27 HB3 HIS 27 -5.792 -16.282 -15.336 136 HD1 HIS 27 HD1 HIS 27 -6.055 -18.481 -14.265 137 HD2 HIS 27 HD2 HIS 27 -2.930 -16.323 -12.581 138 HE1 HIS 27 HE1 HIS 27 -5.090 -19.973 -12.486 139 H HIS 28 H HIS 28 -3.136 -15.671 -18.076 140 HA HIS 28 HA HIS 28 -3.892 -13.220 -19.096 141 HB2 HIS 28 HB2 HIS 28 -4.078 -14.475 -21.318 142 HB3 HIS 28 HB3 HIS 28 -2.539 -14.582 -20.469 143 HD1 HIS 28 HD1 HIS 28 -1.958 -16.818 -21.617 144 HD2 HIS 28 HD2 HIS 28 -5.443 -16.931 -19.359 145 HE1 HIS 28 HE1 HIS 28 -2.536 -19.255 -21.394 146 H GLU 29 H GLU 29 -5.650 -12.857 -20.768 147 HA GLU 29 HA GLU 29 -8.148 -14.225 -20.073 148 HB2 GLU 29 HB2 GLU 29 -7.522 -11.336 -19.728 149 HB3 GLU 29 HB3 GLU 29 -9.126 -11.755 -20.313 150 HG2 GLU 29 HG2 GLU 29 -8.984 -13.443 -18.255 151 HG3 GLU 29 HG3 GLU 29 -7.897 -12.188 -17.662 152 H SER 30 H SER 30 -9.885 -13.830 -21.639 153 HA SER 30 HA SER 30 -8.794 -13.309 -24.326 154 HB2 SER 30 HB2 SER 30 -10.607 -14.831 -25.146 155 HB3 SER 30 HB3 SER 30 -9.425 -15.631 -24.110 156 HG SER 30 HG SER 30 -11.005 -16.127 -22.837 157 H SER 31 H SER 31 -11.794 -13.147 -22.417 158 HA SER 31 HA SER 31 -12.469 -10.665 -23.832 159 HB2 SER 31 HB2 SER 31 -14.942 -11.632 -23.548 160 HB3 SER 31 HB3 SER 31 -13.968 -11.973 -24.977 161 HG SER 31 HG SER 31 -14.848 -13.662 -23.019 162 HA PRO 32 HA PRO 32 -13.512 -9.017 -19.904 163 HB2 PRO 32 HB2 PRO 32 -15.668 -7.468 -20.470 164 HB3 PRO 32 HB3 PRO 32 -14.026 -7.048 -20.971 165 HG2 PRO 32 HG2 PRO 32 -16.221 -8.327 -22.555 166 HG3 PRO 32 HG3 PRO 32 -15.093 -7.047 -23.038 167 HD2 PRO 32 HD2 PRO 32 -14.755 -9.635 -23.760 168 HD3 PRO 32 HD3 PRO 32 -13.389 -8.538 -23.471 169 H ASN 33 H ASN 33 -14.187 -10.635 -18.556 170 HA ASN 33 HA ASN 33 -17.061 -11.284 -18.604 171 HB2 ASN 33 HB2 ASN 33 -14.666 -12.987 -17.968 172 HB3 ASN 33 HB3 ASN 33 -16.256 -13.398 -17.333 173 HD21 ASN 33 HD21 ASN 33 -16.020 -15.351 -18.569 174 HD22 ASN 33 HD22 ASN 33 -16.400 -15.350 -20.254 Start of MODEL 6 1 H1 GLU 1 H GLU 1 2.239 2.263 -0.903 2 HA GLU 1 HA GLU 1 0.884 2.860 -3.197 3 HB2 GLU 1 HB2 GLU 1 2.984 2.342 -4.423 4 HB3 GLU 1 HB3 GLU 1 3.239 3.327 -2.990 5 HG2 GLU 1 HG2 GLU 1 3.884 1.265 -1.762 6 HG3 GLU 1 HG3 GLU 1 3.775 0.382 -3.284 7 H ASP 2 H ASP 2 0.620 1.723 -5.226 8 HA ASP 2 HA ASP 2 0.185 -1.169 -4.855 9 HB2 ASP 2 HB2 ASP 2 -1.535 0.934 -6.097 10 HB3 ASP 2 HB3 ASP 2 -1.582 -0.694 -6.769 11 H CYS 3 H CYS 3 0.260 -2.445 -6.862 12 HA CYS 3 HA CYS 3 2.640 -2.023 -8.274 13 HB2 CYS 3 HB2 CYS 3 1.275 -4.197 -7.920 14 HB3 CYS 3 HB3 CYS 3 0.393 -3.699 -9.359 15 H GLY 4 H GLY 4 -0.629 -2.063 -9.710 16 HA2 GLY 4 HA2 GLY 4 -0.036 0.361 -11.201 17 HA3 GLY 4 HA3 GLY 4 -0.204 -1.097 -12.168 18 H SER 5 H SER 5 -1.969 0.195 -13.142 19 HA SER 5 HA SER 5 -4.288 0.904 -11.725 20 HB2 SER 5 HB2 SER 5 -4.361 0.036 -14.604 21 HB3 SER 5 HB3 SER 5 -5.276 1.319 -13.810 22 HG SER 5 HG SER 5 -3.535 2.617 -13.863 23 H ASP 6 H ASP 6 -5.033 -0.689 -10.379 24 HA ASP 6 HA ASP 6 -6.242 -2.509 -9.745 25 HB2 ASP 6 HB2 ASP 6 -7.345 -1.710 -12.162 26 HB3 ASP 6 HB3 ASP 6 -7.057 -3.434 -12.387 27 H CYS 7 H CYS 7 -3.434 -2.754 -10.497 28 HA CYS 7 HA CYS 7 -3.348 -5.548 -11.415 29 HB2 CYS 7 HB2 CYS 7 -0.916 -3.809 -11.187 30 HB3 CYS 7 HB3 CYS 7 -1.206 -5.180 -12.253 31 H MET 8 H MET 8 -1.744 -6.958 -10.375 32 HA MET 8 HA MET 8 -1.174 -6.218 -7.589 33 HB2 MET 8 HB2 MET 8 -2.406 -8.803 -8.550 34 HB3 MET 8 HB3 MET 8 -1.759 -8.566 -6.932 35 HG2 MET 8 HG2 MET 8 -3.449 -6.452 -7.148 36 HG3 MET 8 HG3 MET 8 -4.285 -7.672 -8.106 37 HE1 MET 8 HE1 MET 8 -6.351 -7.558 -5.225 38 HE2 MET 8 HE2 MET 8 -6.135 -7.643 -6.973 39 HE3 MET 8 HE3 MET 8 -6.378 -9.122 -6.041 40 HA PRO 9 HA PRO 9 2.862 -7.788 -8.304 41 HB2 PRO 9 HB2 PRO 9 3.511 -8.719 -5.838 42 HB3 PRO 9 HB3 PRO 9 3.411 -6.995 -6.219 43 HG2 PRO 9 HG2 PRO 9 1.399 -8.759 -4.875 44 HG3 PRO 9 HG3 PRO 9 1.899 -7.110 -4.456 45 HD2 PRO 9 HD2 PRO 9 -0.386 -7.640 -5.809 46 HD3 PRO 9 HD3 PRO 9 0.556 -6.158 -6.069 47 H CYS 10 H CYS 10 3.246 -9.554 -9.479 48 HA CYS 10 HA CYS 10 2.458 -12.171 -8.374 49 HB2 CYS 10 HB2 CYS 10 1.930 -10.973 -10.981 50 HB3 CYS 10 HB3 CYS 10 2.709 -12.547 -11.111 51 H GLY 11 H GLY 11 4.539 -12.311 -7.373 52 HA2 GLY 11 HA2 GLY 11 6.756 -12.905 -7.265 53 HA3 GLY 11 HA3 GLY 11 6.415 -13.818 -8.728 54 H GLY 12 H GLY 12 6.946 -10.422 -7.761 55 HA2 GLY 12 HA2 GLY 12 8.397 -8.851 -8.620 56 HA3 GLY 12 HA3 GLY 12 9.194 -10.148 -9.497 57 H GLU 13 H GLU 13 5.861 -10.035 -10.070 58 HA GLU 13 HA GLU 13 6.306 -8.546 -12.575 59 HB2 GLU 13 HB2 GLU 13 4.311 -10.780 -12.215 60 HB3 GLU 13 HB3 GLU 13 4.816 -10.020 -13.718 61 HG2 GLU 13 HG2 GLU 13 6.596 -11.676 -11.945 62 HG3 GLU 13 HG3 GLU 13 5.775 -12.262 -13.390 63 H CYS 14 H CYS 14 3.755 -8.340 -13.489 64 HA CYS 14 HA CYS 14 2.086 -7.241 -11.377 65 HB2 CYS 14 HB2 CYS 14 3.788 -5.488 -12.402 66 HB3 CYS 14 HB3 CYS 14 2.596 -5.430 -13.696 67 H CYS 15 H CYS 15 0.307 -8.401 -11.788 68 HA CYS 15 HA CYS 15 -0.567 -8.786 -14.551 69 HB2 CYS 15 HB2 CYS 15 -0.466 -10.641 -12.737 70 HB3 CYS 15 HB3 CYS 15 -1.954 -9.917 -12.136 71 H CYS 16 H CYS 16 -1.816 -7.254 -15.382 72 HA CYS 16 HA CYS 16 -3.657 -5.795 -13.621 73 HB2 CYS 16 HB2 CYS 16 -2.860 -5.094 -16.451 74 HB3 CYS 16 HB3 CYS 16 -3.705 -4.068 -15.296 75 H GLU 17 H GLU 17 -5.822 -5.358 -14.353 76 HA GLU 17 HA GLU 17 -7.206 -7.617 -15.217 77 HB2 GLU 17 HB2 GLU 17 -7.875 -4.766 -14.770 78 HB3 GLU 17 HB3 GLU 17 -8.981 -5.670 -15.794 79 HG2 GLU 17 HG2 GLU 17 -9.396 -7.258 -14.053 80 HG3 GLU 17 HG3 GLU 17 -8.147 -6.538 -13.038 81 HA PRO 18 HA PRO 18 -9.474 -7.576 -16.254 82 HB2 PRO 18 HB2 PRO 18 -10.175 -9.645 -17.865 83 HB3 PRO 18 HB3 PRO 18 -10.702 -7.982 -18.152 84 HG2 PRO 18 HG2 PRO 18 -8.466 -9.508 -19.431 85 HG3 PRO 18 HG3 PRO 18 -9.661 -8.433 -20.182 86 HD2 PRO 18 HD2 PRO 18 -7.134 -7.637 -19.619 87 HD3 PRO 18 HD3 PRO 18 -8.520 -6.528 -19.565 88 H ASN 19 H ASN 19 -6.540 -9.000 -17.252 89 HA ASN 19 HA ASN 19 -6.691 -11.602 -16.334 90 HB2 ASN 19 HB2 ASN 19 -4.250 -9.902 -15.874 91 HB3 ASN 19 HB3 ASN 19 -4.335 -11.611 -16.288 92 HD21 ASN 19 HD21 ASN 19 -3.338 -8.857 -17.480 93 HD22 ASN 19 HD22 ASN 19 -3.699 -9.053 -19.158 94 H SER 20 H SER 20 -5.382 -12.385 -14.336 95 HA SER 20 HA SER 20 -5.883 -10.714 -11.989 96 HB2 SER 20 HB2 SER 20 -7.162 -13.358 -12.569 97 HB3 SER 20 HB3 SER 20 -6.767 -12.945 -10.901 98 HG SER 20 HG SER 20 -8.427 -11.490 -12.684 99 H CYS 21 H CYS 21 -4.619 -11.231 -10.178 100 HA CYS 21 HA CYS 21 -2.240 -12.811 -10.827 101 HB2 CYS 21 HB2 CYS 21 -1.963 -10.453 -10.073 102 HB3 CYS 21 HB3 CYS 21 -2.685 -10.895 -8.529 103 H ILE 22 H ILE 22 -2.923 -14.900 -10.430 104 HA ILE 22 HA ILE 22 -3.401 -15.530 -7.597 105 HB ILE 22 HB ILE 22 -4.721 -17.063 -9.826 106 HG12 ILE 22 HG12 ILE 22 -5.477 -14.677 -9.815 107 HG13 ILE 22 HG13 ILE 22 -6.755 -15.829 -9.445 108 HG21 ILE 22 HG21 ILE 22 -6.261 -17.623 -7.845 109 HG22 ILE 22 HG22 ILE 22 -4.668 -18.376 -7.904 110 HG23 ILE 22 HG23 ILE 22 -4.954 -16.999 -6.840 111 HD11 ILE 22 HD11 ILE 22 -6.262 -13.587 -8.033 112 HD12 ILE 22 HD12 ILE 22 -7.051 -15.022 -7.377 113 HD13 ILE 22 HD13 ILE 22 -5.326 -14.766 -7.115 114 H ASP 23 H ASP 23 -2.727 -17.649 -6.939 115 HA ASP 23 HA ASP 23 -1.178 -19.310 -6.787 116 HB2 ASP 23 HB2 ASP 23 -2.642 -20.084 -8.742 117 HB3 ASP 23 HB3 ASP 23 -1.337 -19.531 -9.788 118 H GLY 24 H GLY 24 -0.334 -16.485 -7.428 119 HA2 GLY 24 HA2 GLY 24 1.725 -15.450 -7.538 120 HA3 GLY 24 HA3 GLY 24 2.465 -17.039 -7.662 121 H THR 25 H THR 25 0.097 -16.795 -9.978 122 HA THR 25 HA THR 25 2.010 -15.813 -11.995 123 HB THR 25 HB THR 25 1.715 -18.302 -12.060 124 HG1 THR 25 HG1 THR 25 0.598 -17.259 -14.423 125 HG21 THR 25 HG21 THR 25 -1.083 -17.609 -12.965 126 HG22 THR 25 HG22 THR 25 -0.669 -18.342 -11.415 127 HG23 THR 25 HG23 THR 25 -0.366 -19.219 -12.914 128 H CYS 26 H CYS 26 0.842 -15.292 -14.116 129 HA CYS 26 HA CYS 26 -1.381 -13.529 -13.463 130 HB2 CYS 26 HB2 CYS 26 0.695 -12.898 -14.876 131 HB3 CYS 26 HB3 CYS 26 -0.105 -13.777 -16.175 132 H HIS 27 H HIS 27 -3.246 -14.666 -13.357 133 HA HIS 27 HA HIS 27 -3.873 -16.748 -15.244 134 HB2 HIS 27 HB2 HIS 27 -5.420 -15.450 -13.003 135 HB3 HIS 27 HB3 HIS 27 -6.129 -16.672 -14.055 136 HD1 HIS 27 HD1 HIS 27 -6.101 -18.878 -12.966 137 HD2 HIS 27 HD2 HIS 27 -2.757 -16.629 -11.953 138 HE1 HIS 27 HE1 HIS 27 -4.747 -20.339 -11.430 139 H HIS 28 H HIS 28 -4.090 -15.975 -17.287 140 HA HIS 28 HA HIS 28 -5.149 -13.553 -18.099 141 HB2 HIS 28 HB2 HIS 28 -5.480 -14.589 -20.293 142 HB3 HIS 28 HB3 HIS 28 -3.936 -15.076 -19.600 143 HD1 HIS 28 HD1 HIS 28 -4.794 -16.898 -21.698 144 HD2 HIS 28 HD2 HIS 28 -6.223 -17.303 -17.818 145 HE1 HIS 28 HE1 HIS 28 -5.574 -19.282 -21.515 146 H GLU 29 H GLU 29 -7.209 -13.283 -19.408 147 HA GLU 29 HA GLU 29 -9.450 -14.798 -18.278 148 HB2 GLU 29 HB2 GLU 29 -9.045 -11.824 -18.151 149 HB3 GLU 29 HB3 GLU 29 -10.664 -12.510 -18.153 150 HG2 GLU 29 HG2 GLU 29 -9.625 -13.989 -16.213 151 HG3 GLU 29 HG3 GLU 29 -8.570 -12.585 -16.062 152 H SER 30 H SER 30 -11.358 -14.772 -19.543 153 HA SER 30 HA SER 30 -10.853 -14.104 -22.359 154 HB2 SER 30 HB2 SER 30 -12.482 -15.778 -22.937 155 HB3 SER 30 HB3 SER 30 -11.388 -16.486 -21.749 156 HG SER 30 HG SER 30 -13.760 -16.763 -21.441 157 H SER 31 H SER 31 -11.827 -12.386 -23.180 158 HA SER 31 HA SER 31 -14.354 -11.482 -21.959 159 HB2 SER 31 HB2 SER 31 -11.923 -9.978 -22.800 160 HB3 SER 31 HB3 SER 31 -13.488 -9.205 -23.054 161 HG SER 31 HG SER 31 -12.213 -9.082 -20.888 162 HA PRO 32 HA PRO 32 -16.335 -11.681 -25.867 163 HB2 PRO 32 HB2 PRO 32 -17.898 -9.462 -25.847 164 HB3 PRO 32 HB3 PRO 32 -18.228 -10.878 -24.843 165 HG2 PRO 32 HG2 PRO 32 -16.895 -8.302 -24.104 166 HG3 PRO 32 HG3 PRO 32 -18.100 -9.238 -23.200 167 HD2 PRO 32 HD2 PRO 32 -15.455 -9.329 -22.628 168 HD3 PRO 32 HD3 PRO 32 -16.530 -10.724 -22.401 169 H ASN 33 H ASN 33 -14.701 -11.428 -27.384 170 HA ASN 33 HA ASN 33 -14.150 -8.673 -28.267 171 HB2 ASN 33 HB2 ASN 33 -12.513 -11.197 -28.574 172 HB3 ASN 33 HB3 ASN 33 -12.118 -9.671 -29.360 173 HD21 ASN 33 HD21 ASN 33 -10.357 -8.976 -28.362 174 HD22 ASN 33 HD22 ASN 33 -10.181 -8.785 -26.654 Start of MODEL 7 1 H1 GLU 1 H GLU 1 1.624 -1.945 0.940 2 HA GLU 1 HA GLU 1 1.228 0.176 -0.878 3 HB2 GLU 1 HB2 GLU 1 3.439 -0.452 0.012 4 HB3 GLU 1 HB3 GLU 1 3.368 -1.960 -0.889 5 HG2 GLU 1 HG2 GLU 1 3.574 -0.871 -2.951 6 HG3 GLU 1 HG3 GLU 1 3.187 0.702 -2.255 7 H ASP 2 H ASP 2 0.609 0.234 -2.962 8 HA ASP 2 HA ASP 2 -0.517 -2.183 -4.101 9 HB2 ASP 2 HB2 ASP 2 -1.433 -0.694 -5.822 10 HB3 ASP 2 HB3 ASP 2 -1.793 -0.090 -4.207 11 H CYS 3 H CYS 3 -0.247 -2.130 -6.696 12 HA CYS 3 HA CYS 3 2.658 -2.275 -7.150 13 HB2 CYS 3 HB2 CYS 3 1.207 -4.394 -7.275 14 HB3 CYS 3 HB3 CYS 3 0.576 -3.722 -8.776 15 H GLY 4 H GLY 4 -0.236 -2.008 -9.223 16 HA2 GLY 4 HA2 GLY 4 0.796 0.477 -10.348 17 HA3 GLY 4 HA3 GLY 4 0.680 -0.888 -11.449 18 H SER 5 H SER 5 -0.773 0.601 -12.613 19 HA SER 5 HA SER 5 -3.232 1.462 -11.564 20 HB2 SER 5 HB2 SER 5 -2.702 0.771 -14.459 21 HB3 SER 5 HB3 SER 5 -3.871 1.930 -13.827 22 HG SER 5 HG SER 5 -2.289 3.283 -14.185 23 H ASP 6 H ASP 6 -4.333 -0.118 -10.470 24 HA ASP 6 HA ASP 6 -5.789 -1.840 -10.170 25 HB2 ASP 6 HB2 ASP 6 -5.986 -2.077 -13.168 26 HB3 ASP 6 HB3 ASP 6 -7.205 -2.474 -11.961 27 H CYS 7 H CYS 7 -2.921 -2.317 -10.475 28 HA CYS 7 HA CYS 7 -2.926 -5.056 -11.548 29 HB2 CYS 7 HB2 CYS 7 -0.426 -3.579 -10.799 30 HB3 CYS 7 HB3 CYS 7 -0.648 -4.856 -11.991 31 H MET 8 H MET 8 -1.659 -6.670 -10.355 32 HA MET 8 HA MET 8 -1.517 -6.138 -7.468 33 HB2 MET 8 HB2 MET 8 -2.786 -8.531 -8.804 34 HB3 MET 8 HB3 MET 8 -2.401 -8.458 -7.090 35 HG2 MET 8 HG2 MET 8 -3.835 -6.256 -7.206 36 HG3 MET 8 HG3 MET 8 -4.516 -7.050 -8.624 37 HE1 MET 8 HE1 MET 8 -6.856 -6.992 -7.630 38 HE2 MET 8 HE2 MET 8 -6.602 -8.556 -8.404 39 HE3 MET 8 HE3 MET 8 -7.427 -8.466 -6.847 40 HA PRO 9 HA PRO 9 2.434 -8.048 -7.604 41 HB2 PRO 9 HB2 PRO 9 2.564 -9.165 -5.133 42 HB3 PRO 9 HB3 PRO 9 2.679 -7.423 -5.407 43 HG2 PRO 9 HG2 PRO 9 0.322 -9.053 -4.543 44 HG3 PRO 9 HG3 PRO 9 0.881 -7.484 -3.934 45 HD2 PRO 9 HD2 PRO 9 -1.172 -7.720 -5.684 46 HD3 PRO 9 HD3 PRO 9 -0.076 -6.323 -5.681 47 H CYS 10 H CYS 10 2.866 -9.779 -8.813 48 HA CYS 10 HA CYS 10 1.673 -12.361 -8.040 49 HB2 CYS 10 HB2 CYS 10 1.725 -10.985 -10.613 50 HB3 CYS 10 HB3 CYS 10 2.365 -12.622 -10.711 51 H GLY 11 H GLY 11 3.532 -12.739 -6.708 52 HA2 GLY 11 HA2 GLY 11 5.637 -13.549 -6.265 53 HA3 GLY 11 HA3 GLY 11 5.476 -14.357 -7.818 54 H GLY 12 H GLY 12 6.126 -11.076 -6.567 55 HA2 GLY 12 HA2 GLY 12 7.838 -9.617 -7.069 56 HA3 GLY 12 HA3 GLY 12 8.654 -10.941 -7.888 57 H GLU 13 H GLU 13 5.499 -10.503 -9.007 58 HA GLU 13 HA GLU 13 6.489 -8.932 -11.296 59 HB2 GLU 13 HB2 GLU 13 4.274 -10.975 -11.415 60 HB3 GLU 13 HB3 GLU 13 5.092 -10.196 -12.761 61 HG2 GLU 13 HG2 GLU 13 6.436 -12.064 -10.825 62 HG3 GLU 13 HG3 GLU 13 5.757 -12.557 -12.375 63 H CYS 14 H CYS 14 4.158 -8.436 -12.603 64 HA CYS 14 HA CYS 14 2.256 -7.285 -10.730 65 HB2 CYS 14 HB2 CYS 14 4.251 -5.656 -11.332 66 HB3 CYS 14 HB3 CYS 14 3.322 -5.421 -12.808 67 H CYS 15 H CYS 15 0.465 -8.216 -11.503 68 HA CYS 15 HA CYS 15 0.052 -8.381 -14.393 69 HB2 CYS 15 HB2 CYS 15 -0.320 -10.331 -12.720 70 HB3 CYS 15 HB3 CYS 15 -1.819 -9.498 -12.323 71 H CYS 16 H CYS 16 -0.897 -6.691 -15.312 72 HA CYS 16 HA CYS 16 -2.877 -5.155 -13.782 73 HB2 CYS 16 HB2 CYS 16 -1.553 -4.387 -16.388 74 HB3 CYS 16 HB3 CYS 16 -2.488 -3.345 -15.321 75 H GLU 17 H GLU 17 -4.841 -4.474 -14.825 76 HA GLU 17 HA GLU 17 -6.248 -6.537 -16.060 77 HB2 GLU 17 HB2 GLU 17 -6.734 -3.690 -15.471 78 HB3 GLU 17 HB3 GLU 17 -7.686 -4.347 -16.794 79 HG2 GLU 17 HG2 GLU 17 -7.830 -6.248 -14.753 80 HG3 GLU 17 HG3 GLU 17 -8.015 -4.683 -13.964 81 HA PRO 18 HA PRO 18 -8.295 -6.221 -17.448 82 HB2 PRO 18 HB2 PRO 18 -8.890 -8.122 -19.293 83 HB3 PRO 18 HB3 PRO 18 -9.215 -6.403 -19.546 84 HG2 PRO 18 HG2 PRO 18 -6.935 -8.067 -20.544 85 HG3 PRO 18 HG3 PRO 18 -7.887 -6.842 -21.404 86 HD2 PRO 18 HD2 PRO 18 -5.434 -6.326 -20.381 87 HD3 PRO 18 HD3 PRO 18 -6.707 -5.093 -20.477 88 H ASN 19 H ASN 19 -5.369 -7.866 -18.049 89 HA ASN 19 HA ASN 19 -5.898 -10.488 -17.353 90 HB2 ASN 19 HB2 ASN 19 -3.433 -9.058 -16.380 91 HB3 ASN 19 HB3 ASN 19 -3.593 -10.727 -16.919 92 HD21 ASN 19 HD21 ASN 19 -2.173 -8.024 -17.739 93 HD22 ASN 19 HD22 ASN 19 -2.260 -8.094 -19.463 94 H SER 20 H SER 20 -5.024 -11.503 -15.227 95 HA SER 20 HA SER 20 -5.772 -9.921 -12.883 96 HB2 SER 20 HB2 SER 20 -7.152 -12.396 -13.849 97 HB3 SER 20 HB3 SER 20 -7.013 -12.115 -12.114 98 HG SER 20 HG SER 20 -8.486 -10.742 -14.032 99 H CYS 21 H CYS 21 -4.883 -10.654 -10.929 100 HA CYS 21 HA CYS 21 -2.571 -12.416 -11.286 101 HB2 CYS 21 HB2 CYS 21 -2.227 -10.139 -10.336 102 HB3 CYS 21 HB3 CYS 21 -3.235 -10.593 -8.965 103 H ILE 22 H ILE 22 -3.486 -14.449 -11.152 104 HA ILE 22 HA ILE 22 -4.490 -15.182 -8.487 105 HB ILE 22 HB ILE 22 -5.537 -16.460 -11.003 106 HG12 ILE 22 HG12 ILE 22 -6.078 -14.017 -10.952 107 HG13 ILE 22 HG13 ILE 22 -7.495 -15.059 -10.877 108 HG21 ILE 22 HG21 ILE 22 -7.455 -16.844 -9.230 109 HG22 ILE 22 HG22 ILE 22 -6.050 -17.906 -9.313 110 HG23 ILE 22 HG23 ILE 22 -6.122 -16.633 -8.095 111 HD11 ILE 22 HD11 ILE 22 -6.296 -14.096 -8.334 112 HD12 ILE 22 HD12 ILE 22 -7.256 -12.981 -9.308 113 HD13 ILE 22 HD13 ILE 22 -7.973 -14.482 -8.722 114 H ASP 23 H ASP 23 -4.120 -17.388 -7.876 115 HA ASP 23 HA ASP 23 -2.766 -19.195 -7.587 116 HB2 ASP 23 HB2 ASP 23 -3.920 -19.588 -9.917 117 HB3 ASP 23 HB3 ASP 23 -2.292 -19.332 -10.539 118 H GLY 24 H GLY 24 -1.588 -16.434 -7.882 119 HA2 GLY 24 HA2 GLY 24 0.540 -15.595 -7.581 120 HA3 GLY 24 HA3 GLY 24 1.153 -17.238 -7.691 121 H THR 25 H THR 25 -0.758 -16.645 -10.343 122 HA THR 25 HA THR 25 1.546 -15.742 -11.945 123 HB THR 25 HB THR 25 1.056 -18.185 -12.229 124 HG1 THR 25 HG1 THR 25 1.531 -18.023 -14.335 125 HG21 THR 25 HG21 THR 25 -1.398 -18.031 -11.990 126 HG22 THR 25 HG22 THR 25 -0.919 -18.854 -13.475 127 HG23 THR 25 HG23 THR 25 -1.476 -17.182 -13.533 128 H CYS 26 H CYS 26 0.804 -14.998 -14.188 129 HA CYS 26 HA CYS 26 -1.341 -13.070 -13.789 130 HB2 CYS 26 HB2 CYS 26 0.992 -12.567 -14.796 131 HB3 CYS 26 HB3 CYS 26 0.349 -13.291 -16.266 132 H HIS 27 H HIS 27 -3.286 -14.028 -14.069 133 HA HIS 27 HA HIS 27 -3.757 -15.937 -16.173 134 HB2 HIS 27 HB2 HIS 27 -5.547 -14.621 -14.133 135 HB3 HIS 27 HB3 HIS 27 -6.168 -15.712 -15.369 136 HD1 HIS 27 HD1 HIS 27 -6.512 -17.965 -14.444 137 HD2 HIS 27 HD2 HIS 27 -3.210 -16.102 -12.744 138 HE1 HIS 27 HE1 HIS 27 -5.567 -19.629 -12.811 139 H HIS 28 H HIS 28 -3.566 -15.045 -18.168 140 HA HIS 28 HA HIS 28 -4.290 -12.483 -18.957 141 HB2 HIS 28 HB2 HIS 28 -4.462 -13.517 -21.280 142 HB3 HIS 28 HB3 HIS 28 -2.933 -13.739 -20.435 143 HD1 HIS 28 HD1 HIS 28 -2.189 -15.926 -21.403 144 HD2 HIS 28 HD2 HIS 28 -6.088 -16.062 -19.976 145 HE1 HIS 28 HE1 HIS 28 -2.866 -18.345 -21.526 146 H GLU 29 H GLU 29 -6.057 -11.930 -20.534 147 HA GLU 29 HA GLU 29 -8.557 -13.349 -19.922 148 HB2 GLU 29 HB2 GLU 29 -7.979 -10.414 -19.649 149 HB3 GLU 29 HB3 GLU 29 -9.614 -10.980 -19.963 150 HG2 GLU 29 HG2 GLU 29 -7.887 -11.637 -17.591 151 HG3 GLU 29 HG3 GLU 29 -9.346 -10.648 -17.613 152 H SER 30 H SER 30 -9.751 -13.798 -21.658 153 HA SER 30 HA SER 30 -8.954 -12.610 -24.219 154 HB2 SER 30 HB2 SER 30 -10.498 -15.129 -23.570 155 HB3 SER 30 HB3 SER 30 -10.241 -14.531 -25.209 156 HG SER 30 HG SER 30 -8.690 -16.145 -24.156 157 H SER 31 H SER 31 -12.046 -13.947 -23.080 158 HA SER 31 HA SER 31 -13.343 -11.410 -23.810 159 HB2 SER 31 HB2 SER 31 -15.294 -13.081 -24.517 160 HB3 SER 31 HB3 SER 31 -14.029 -12.606 -25.650 161 HG SER 31 HG SER 31 -13.791 -14.893 -24.006 162 HA PRO 32 HA PRO 32 -15.549 -11.673 -20.029 163 HB2 PRO 32 HB2 PRO 32 -18.001 -10.730 -20.713 164 HB3 PRO 32 HB3 PRO 32 -16.573 -9.696 -20.598 165 HG2 PRO 32 HG2 PRO 32 -17.847 -10.902 -23.023 166 HG3 PRO 32 HG3 PRO 32 -17.210 -9.263 -22.792 167 HD2 PRO 32 HD2 PRO 32 -15.826 -11.195 -24.090 168 HD3 PRO 32 HD3 PRO 32 -15.030 -9.927 -23.136 169 H ASN 33 H ASN 33 -16.691 -13.419 -22.776 170 HA ASN 33 HA ASN 33 -18.459 -15.036 -21.065 171 HB2 ASN 33 HB2 ASN 33 -19.745 -15.584 -22.951 172 HB3 ASN 33 HB3 ASN 33 -19.358 -13.882 -23.190 173 HD21 ASN 33 HD21 ASN 33 -19.316 -16.939 -24.541 174 HD22 ASN 33 HD22 ASN 33 -18.303 -16.610 -25.901 Start of MODEL 8 1 H1 GLU 1 H GLU 1 3.188 2.791 -0.828 2 HA GLU 1 HA GLU 1 4.327 1.595 -2.682 3 HB2 GLU 1 HB2 GLU 1 4.963 -0.473 -1.374 4 HB3 GLU 1 HB3 GLU 1 5.215 1.059 -0.548 5 HG2 GLU 1 HG2 GLU 1 3.374 0.730 0.863 6 HG3 GLU 1 HG3 GLU 1 2.731 -0.568 -0.142 7 H ASP 2 H ASP 2 2.438 1.446 -4.199 8 HA ASP 2 HA ASP 2 1.287 -1.263 -4.227 9 HB2 ASP 2 HB2 ASP 2 -0.223 0.824 -4.229 10 HB3 ASP 2 HB3 ASP 2 0.307 1.044 -5.895 11 H CYS 3 H CYS 3 1.148 -2.376 -6.262 12 HA CYS 3 HA CYS 3 3.560 -2.316 -7.726 13 HB2 CYS 3 HB2 CYS 3 1.826 -4.243 -7.357 14 HB3 CYS 3 HB3 CYS 3 1.076 -3.596 -8.813 15 H GLY 4 H GLY 4 0.263 -1.783 -8.992 16 HA2 GLY 4 HA2 GLY 4 1.118 0.578 -10.424 17 HA3 GLY 4 HA3 GLY 4 0.804 -0.809 -11.456 18 H SER 5 H SER 5 -0.816 0.714 -12.359 19 HA SER 5 HA SER 5 -3.056 1.575 -10.899 20 HB2 SER 5 HB2 SER 5 -4.149 1.751 -13.168 21 HB3 SER 5 HB3 SER 5 -2.600 2.582 -13.028 22 HG SER 5 HG SER 5 -3.316 0.488 -14.623 23 H ASP 6 H ASP 6 -3.961 -0.008 -9.643 24 HA ASP 6 HA ASP 6 -5.349 -1.730 -9.109 25 HB2 ASP 6 HB2 ASP 6 -6.087 -2.057 -12.000 26 HB3 ASP 6 HB3 ASP 6 -7.094 -2.255 -10.568 27 H CYS 7 H CYS 7 -2.569 -2.194 -9.965 28 HA CYS 7 HA CYS 7 -2.769 -4.927 -11.027 29 HB2 CYS 7 HB2 CYS 7 -0.180 -3.447 -10.689 30 HB3 CYS 7 HB3 CYS 7 -0.584 -4.729 -11.827 31 H MET 8 H MET 8 -1.352 -6.568 -10.080 32 HA MET 8 HA MET 8 -0.697 -6.071 -7.259 33 HB2 MET 8 HB2 MET 8 -2.218 -8.440 -8.356 34 HB3 MET 8 HB3 MET 8 -1.563 -8.357 -6.727 35 HG2 MET 8 HG2 MET 8 -2.961 -6.151 -6.602 36 HG3 MET 8 HG3 MET 8 -3.857 -6.892 -7.927 37 HE1 MET 8 HE1 MET 8 -5.898 -6.808 -6.891 38 HE2 MET 8 HE2 MET 8 -6.111 -8.538 -7.161 39 HE3 MET 8 HE3 MET 8 -6.504 -7.836 -5.591 40 HA PRO 9 HA PRO 9 3.122 -8.064 -8.105 41 HB2 PRO 9 HB2 PRO 9 3.662 -9.208 -5.703 42 HB3 PRO 9 HB3 PRO 9 3.767 -7.466 -5.982 43 HG2 PRO 9 HG2 PRO 9 1.563 -9.053 -4.723 44 HG3 PRO 9 HG3 PRO 9 2.257 -7.503 -4.214 45 HD2 PRO 9 HD2 PRO 9 -0.078 -7.677 -5.573 46 HD3 PRO 9 HD3 PRO 9 1.033 -6.305 -5.757 47 H CYS 10 H CYS 10 3.346 -9.806 -9.350 48 HA CYS 10 HA CYS 10 2.208 -12.359 -8.415 49 HB2 CYS 10 HB2 CYS 10 1.911 -10.967 -10.963 50 HB3 CYS 10 HB3 CYS 10 2.483 -12.620 -11.161 51 H GLY 11 H GLY 11 4.240 -12.787 -7.378 52 HA2 GLY 11 HA2 GLY 11 6.361 -13.661 -7.260 53 HA3 GLY 11 HA3 GLY 11 5.947 -14.453 -8.773 54 H GLY 12 H GLY 12 7.011 -11.288 -7.526 55 HA2 GLY 12 HA2 GLY 12 8.636 -9.856 -8.297 56 HA3 GLY 12 HA3 GLY 12 9.255 -11.189 -9.260 57 H GLU 13 H GLU 13 5.985 -10.600 -9.855 58 HA GLU 13 HA GLU 13 6.646 -8.929 -12.190 59 HB2 GLU 13 HB2 GLU 13 4.495 -11.041 -12.174 60 HB3 GLU 13 HB3 GLU 13 5.146 -10.172 -13.557 61 HG2 GLU 13 HG2 GLU 13 7.382 -11.301 -12.891 62 HG3 GLU 13 HG3 GLU 13 6.348 -12.415 -11.998 63 H CYS 14 H CYS 14 4.160 -8.455 -13.173 64 HA CYS 14 HA CYS 14 2.484 -7.471 -11.004 65 HB2 CYS 14 HB2 CYS 14 4.303 -5.737 -11.826 66 HB3 CYS 14 HB3 CYS 14 3.164 -5.504 -13.149 67 H CYS 15 H CYS 15 0.450 -7.947 -11.472 68 HA CYS 15 HA CYS 15 -0.305 -8.271 -14.299 69 HB2 CYS 15 HB2 CYS 15 -0.465 -10.220 -12.588 70 HB3 CYS 15 HB3 CYS 15 -1.889 -9.372 -11.995 71 H CYS 16 H CYS 16 -1.347 -6.562 -15.069 72 HA CYS 16 HA CYS 16 -3.067 -5.001 -13.275 73 HB2 CYS 16 HB2 CYS 16 -2.118 -4.266 -16.049 74 HB3 CYS 16 HB3 CYS 16 -2.895 -3.206 -14.878 75 H GLU 17 H GLU 17 -5.165 -4.335 -13.977 76 HA GLU 17 HA GLU 17 -6.750 -6.378 -15.012 77 HB2 GLU 17 HB2 GLU 17 -7.141 -3.517 -14.360 78 HB3 GLU 17 HB3 GLU 17 -8.310 -4.220 -15.469 79 HG2 GLU 17 HG2 GLU 17 -8.785 -5.981 -13.825 80 HG3 GLU 17 HG3 GLU 17 -7.649 -5.224 -12.709 81 HA PRO 18 HA PRO 18 -8.988 -6.039 -16.061 82 HB2 PRO 18 HB2 PRO 18 -9.867 -7.912 -17.819 83 HB3 PRO 18 HB3 PRO 18 -10.222 -6.189 -17.993 84 HG2 PRO 18 HG2 PRO 18 -8.130 -7.838 -19.358 85 HG3 PRO 18 HG3 PRO 18 -9.200 -6.600 -20.041 86 HD2 PRO 18 HD2 PRO 18 -6.617 -6.101 -19.404 87 HD3 PRO 18 HD3 PRO 18 -7.886 -4.865 -19.283 88 H ASN 19 H ASN 19 -6.194 -7.674 -17.130 89 HA ASN 19 HA ASN 19 -6.606 -10.307 -16.412 90 HB2 ASN 19 HB2 ASN 19 -4.030 -8.885 -15.773 91 HB3 ASN 19 HB3 ASN 19 -4.263 -10.542 -16.321 92 HD21 ASN 19 HD21 ASN 19 -3.010 -7.785 -17.271 93 HD22 ASN 19 HD22 ASN 19 -3.333 -7.828 -18.967 94 H SER 20 H SER 20 -5.473 -11.375 -14.458 95 HA SER 20 HA SER 20 -5.862 -9.840 -11.997 96 HB2 SER 20 HB2 SER 20 -7.369 -12.297 -12.809 97 HB3 SER 20 HB3 SER 20 -6.985 -12.050 -11.105 98 HG SER 20 HG SER 20 -8.499 -10.375 -12.815 99 H CYS 21 H CYS 21 -4.713 -10.623 -10.201 100 HA CYS 21 HA CYS 21 -2.476 -12.370 -10.923 101 HB2 CYS 21 HB2 CYS 21 -2.039 -10.090 -9.966 102 HB3 CYS 21 HB3 CYS 21 -2.780 -10.637 -8.465 103 H ILE 22 H ILE 22 -3.369 -14.406 -10.706 104 HA ILE 22 HA ILE 22 -3.990 -15.197 -7.942 105 HB ILE 22 HB ILE 22 -5.375 -16.424 -10.316 106 HG12 ILE 22 HG12 ILE 22 -5.906 -13.984 -10.131 107 HG13 ILE 22 HG13 ILE 22 -7.296 -15.035 -9.888 108 HG21 ILE 22 HG21 ILE 22 -5.779 -17.919 -8.682 109 HG22 ILE 22 HG22 ILE 22 -5.432 -16.765 -7.395 110 HG23 ILE 22 HG23 ILE 22 -7.006 -16.753 -8.190 111 HD11 ILE 22 HD11 ILE 22 -7.600 -14.341 -7.786 112 HD12 ILE 22 HD12 ILE 22 -5.871 -14.325 -7.434 113 HD13 ILE 22 HD13 ILE 22 -6.612 -12.967 -8.281 114 H ASP 23 H ASP 23 -3.536 -17.413 -7.433 115 HA ASP 23 HA ASP 23 -2.156 -19.222 -7.371 116 HB2 ASP 23 HB2 ASP 23 -3.624 -19.655 -9.457 117 HB3 ASP 23 HB3 ASP 23 -2.183 -19.234 -10.379 118 H GLY 24 H GLY 24 -1.033 -16.449 -7.776 119 HA2 GLY 24 HA2 GLY 24 1.118 -15.612 -7.747 120 HA3 GLY 24 HA3 GLY 24 1.709 -17.250 -7.984 121 H THR 25 H THR 25 -0.549 -16.615 -10.329 122 HA THR 25 HA THR 25 1.507 -15.657 -12.213 123 HB THR 25 HB THR 25 0.983 -18.096 -12.484 124 HG1 THR 25 HG1 THR 25 1.753 -17.035 -14.285 125 HG21 THR 25 HG21 THR 25 -1.416 -17.953 -11.907 126 HG22 THR 25 HG22 THR 25 -1.145 -18.741 -13.461 127 HG23 THR 25 HG23 THR 25 -1.704 -17.070 -13.405 128 H CYS 26 H CYS 26 0.460 -14.863 -14.312 129 HA CYS 26 HA CYS 26 -1.612 -12.955 -13.571 130 HB2 CYS 26 HB2 CYS 26 0.555 -12.408 -14.873 131 HB3 CYS 26 HB3 CYS 26 -0.272 -13.110 -16.260 132 H HIS 27 H HIS 27 -3.575 -13.916 -13.604 133 HA HIS 27 HA HIS 27 -4.330 -15.774 -15.670 134 HB2 HIS 27 HB2 HIS 27 -5.826 -14.517 -13.371 135 HB3 HIS 27 HB3 HIS 27 -6.605 -15.586 -14.534 136 HD1 HIS 27 HD1 HIS 27 -6.810 -17.860 -13.618 137 HD2 HIS 27 HD2 HIS 27 -3.310 -16.012 -12.354 138 HE1 HIS 27 HE1 HIS 27 -5.642 -19.552 -12.171 139 H HIS 28 H HIS 28 -4.387 -14.804 -17.644 140 HA HIS 28 HA HIS 28 -5.225 -12.237 -18.261 141 HB2 HIS 28 HB2 HIS 28 -5.522 -13.038 -20.557 142 HB3 HIS 28 HB3 HIS 28 -4.050 -13.699 -19.850 143 HD1 HIS 28 HD1 HIS 28 -4.930 -15.250 -22.147 144 HD2 HIS 28 HD2 HIS 28 -6.570 -15.908 -18.387 145 HE1 HIS 28 HE1 HIS 28 -5.881 -17.577 -22.226 146 H GLU 29 H GLU 29 -7.196 -11.693 -19.619 147 HA GLU 29 HA GLU 29 -9.587 -13.099 -18.648 148 HB2 GLU 29 HB2 GLU 29 -8.901 -10.206 -18.386 149 HB3 GLU 29 HB3 GLU 29 -10.581 -10.647 -18.656 150 HG2 GLU 29 HG2 GLU 29 -8.928 -11.836 -16.450 151 HG3 GLU 29 HG3 GLU 29 -9.860 -10.352 -16.257 152 H SER 30 H SER 30 -10.809 -13.736 -20.284 153 HA SER 30 HA SER 30 -11.323 -12.008 -22.537 154 HB2 SER 30 HB2 SER 30 -9.152 -13.250 -23.060 155 HB3 SER 30 HB3 SER 30 -10.129 -14.717 -23.129 156 HG SER 30 HG SER 30 -9.712 -13.177 -25.104 157 H SER 31 H SER 31 -13.181 -12.559 -23.660 158 HA SER 31 HA SER 31 -14.736 -14.763 -22.476 159 HB2 SER 31 HB2 SER 31 -15.463 -12.009 -23.340 160 HB3 SER 31 HB3 SER 31 -16.661 -13.278 -23.595 161 HG SER 31 HG SER 31 -16.856 -13.551 -21.472 162 HA PRO 32 HA PRO 32 -15.144 -16.774 -26.352 163 HB2 PRO 32 HB2 PRO 32 -17.723 -17.621 -26.306 164 HB3 PRO 32 HB3 PRO 32 -16.459 -18.335 -25.297 165 HG2 PRO 32 HG2 PRO 32 -18.530 -16.297 -24.578 166 HG3 PRO 32 HG3 PRO 32 -17.982 -17.709 -23.656 167 HD2 PRO 32 HD2 PRO 32 -17.119 -15.197 -23.126 168 HD3 PRO 32 HD3 PRO 32 -16.098 -16.629 -22.882 169 H ASN 33 H ASN 33 -14.888 -14.827 -27.631 170 HA ASN 33 HA ASN 33 -17.337 -13.535 -28.548 171 HB2 ASN 33 HB2 ASN 33 -15.569 -12.005 -28.073 172 HB3 ASN 33 HB3 ASN 33 -14.410 -12.951 -29.003 173 HD21 ASN 33 HD21 ASN 33 -17.699 -11.908 -29.784 174 HD22 ASN 33 HD22 ASN 33 -17.266 -11.016 -31.199 Start of MODEL 9 1 H1 GLU 1 H GLU 1 1.820 1.594 -0.887 2 HA GLU 1 HA GLU 1 4.135 0.588 -2.410 3 HB2 GLU 1 HB2 GLU 1 3.734 -1.570 -1.163 4 HB3 GLU 1 HB3 GLU 1 4.324 -0.231 -0.188 5 HG2 GLU 1 HG2 GLU 1 2.347 0.006 0.939 6 HG3 GLU 1 HG3 GLU 1 1.391 -0.681 -0.373 7 H ASP 2 H ASP 2 2.605 1.171 -4.233 8 HA ASP 2 HA ASP 2 0.687 -1.014 -4.708 9 HB2 ASP 2 HB2 ASP 2 0.721 1.863 -5.533 10 HB3 ASP 2 HB3 ASP 2 -0.099 0.688 -6.557 11 H CYS 3 H CYS 3 0.553 -1.877 -6.867 12 HA CYS 3 HA CYS 3 3.181 -2.106 -8.084 13 HB2 CYS 3 HB2 CYS 3 1.440 -4.014 -7.591 14 HB3 CYS 3 HB3 CYS 3 0.754 -3.511 -9.132 15 H GLY 4 H GLY 4 -0.107 -1.685 -9.419 16 HA2 GLY 4 HA2 GLY 4 0.730 0.557 -11.022 17 HA3 GLY 4 HA3 GLY 4 0.497 -0.912 -11.957 18 H SER 5 H SER 5 -1.135 0.502 -13.017 19 HA SER 5 HA SER 5 -3.454 1.377 -11.695 20 HB2 SER 5 HB2 SER 5 -2.751 2.124 -13.965 21 HB3 SER 5 HB3 SER 5 -3.200 0.539 -14.594 22 HG SER 5 HG SER 5 -5.248 1.060 -14.469 23 H ASP 6 H ASP 6 -4.359 -0.148 -10.371 24 HA ASP 6 HA ASP 6 -5.710 -1.878 -9.772 25 HB2 ASP 6 HB2 ASP 6 -6.874 -0.958 -11.957 26 HB3 ASP 6 HB3 ASP 6 -6.345 -2.500 -12.626 27 H CYS 7 H CYS 7 -2.881 -2.294 -10.516 28 HA CYS 7 HA CYS 7 -2.948 -5.097 -11.393 29 HB2 CYS 7 HB2 CYS 7 -0.418 -3.529 -11.034 30 HB3 CYS 7 HB3 CYS 7 -0.749 -4.870 -12.127 31 H MET 8 H MET 8 -1.554 -6.636 -10.278 32 HA MET 8 HA MET 8 -1.055 -5.943 -7.464 33 HB2 MET 8 HB2 MET 8 -2.534 -8.322 -8.561 34 HB3 MET 8 HB3 MET 8 -1.769 -8.370 -6.979 35 HG2 MET 8 HG2 MET 8 -3.756 -6.258 -7.751 36 HG3 MET 8 HG3 MET 8 -4.228 -7.800 -7.040 37 HE1 MET 8 HE1 MET 8 -2.903 -8.206 -3.924 38 HE2 MET 8 HE2 MET 8 -4.427 -7.344 -3.710 39 HE3 MET 8 HE3 MET 8 -4.230 -8.468 -5.056 40 HA PRO 9 HA PRO 9 2.899 -7.778 -7.986 41 HB2 PRO 9 HB2 PRO 9 3.355 -8.766 -5.498 42 HB3 PRO 9 HB3 PRO 9 3.390 -7.037 -5.867 43 HG2 PRO 9 HG2 PRO 9 1.197 -8.669 -4.646 44 HG3 PRO 9 HG3 PRO 9 1.784 -7.060 -4.186 45 HD2 PRO 9 HD2 PRO 9 -0.457 -7.427 -5.660 46 HD3 PRO 9 HD3 PRO 9 0.594 -6.010 -5.857 47 H CYS 10 H CYS 10 3.290 -9.570 -9.112 48 HA CYS 10 HA CYS 10 2.221 -12.126 -8.106 49 HB2 CYS 10 HB2 CYS 10 2.009 -10.885 -10.739 50 HB3 CYS 10 HB3 CYS 10 2.676 -12.513 -10.814 51 H GLY 11 H GLY 11 4.200 -12.402 -6.932 52 HA2 GLY 11 HA2 GLY 11 6.354 -13.149 -6.642 53 HA3 GLY 11 HA3 GLY 11 6.068 -14.047 -8.125 54 H GLY 12 H GLY 12 6.783 -10.700 -7.109 55 HA2 GLY 12 HA2 GLY 12 8.414 -9.250 -7.848 56 HA3 GLY 12 HA3 GLY 12 9.163 -10.604 -8.682 57 H GLU 13 H GLU 13 5.908 -10.256 -9.501 58 HA GLU 13 HA GLU 13 6.629 -8.746 -11.927 59 HB2 GLU 13 HB2 GLU 13 4.519 -10.898 -11.794 60 HB3 GLU 13 HB3 GLU 13 5.179 -10.125 -13.229 61 HG2 GLU 13 HG2 GLU 13 6.787 -11.849 -11.363 62 HG3 GLU 13 HG3 GLU 13 5.992 -12.442 -12.820 63 H CYS 14 H CYS 14 4.172 -8.409 -13.042 64 HA CYS 14 HA CYS 14 2.389 -7.276 -11.042 65 HB2 CYS 14 HB2 CYS 14 4.233 -5.583 -11.908 66 HB3 CYS 14 HB3 CYS 14 3.147 -5.460 -13.289 67 H CYS 15 H CYS 15 0.460 -8.037 -11.570 68 HA CYS 15 HA CYS 15 -0.177 -8.462 -14.408 69 HB2 CYS 15 HB2 CYS 15 -0.317 -10.341 -12.617 70 HB3 CYS 15 HB3 CYS 15 -1.805 -9.540 -12.125 71 H CYS 16 H CYS 16 -1.294 -6.870 -15.308 72 HA CYS 16 HA CYS 16 -3.157 -5.316 -13.653 73 HB2 CYS 16 HB2 CYS 16 -2.139 -4.634 -16.415 74 HB3 CYS 16 HB3 CYS 16 -2.988 -3.570 -15.298 75 H GLU 17 H GLU 17 -5.248 -4.780 -14.484 76 HA GLU 17 HA GLU 17 -6.684 -6.940 -15.494 77 HB2 GLU 17 HB2 GLU 17 -7.239 -4.068 -15.022 78 HB3 GLU 17 HB3 GLU 17 -8.326 -4.899 -16.125 79 HG2 GLU 17 HG2 GLU 17 -8.555 -6.659 -14.289 80 HG3 GLU 17 HG3 GLU 17 -7.809 -5.464 -13.230 81 HA PRO 18 HA PRO 18 -8.877 -6.766 -16.664 82 HB2 PRO 18 HB2 PRO 18 -9.575 -8.761 -18.368 83 HB3 PRO 18 HB3 PRO 18 -10.004 -7.069 -18.643 84 HG2 PRO 18 HG2 PRO 18 -7.769 -8.672 -19.823 85 HG3 PRO 18 HG3 PRO 18 -8.862 -7.524 -20.617 86 HD2 PRO 18 HD2 PRO 18 -6.341 -6.865 -19.882 87 HD3 PRO 18 HD3 PRO 18 -7.673 -5.691 -19.884 88 H ASN 19 H ASN 19 -5.957 -8.305 -17.515 89 HA ASN 19 HA ASN 19 -6.280 -10.918 -16.684 90 HB2 ASN 19 HB2 ASN 19 -3.807 -9.341 -16.007 91 HB3 ASN 19 HB3 ASN 19 -3.935 -11.034 -16.476 92 HD21 ASN 19 HD21 ASN 19 -2.763 -8.276 -17.515 93 HD22 ASN 19 HD22 ASN 19 -3.007 -8.420 -19.219 94 H SER 20 H SER 20 -5.177 -11.826 -14.629 95 HA SER 20 HA SER 20 -5.762 -10.195 -12.271 96 HB2 SER 20 HB2 SER 20 -7.101 -12.766 -13.019 97 HB3 SER 20 HB3 SER 20 -6.810 -12.415 -11.316 98 HG SER 20 HG SER 20 -8.195 -10.775 -11.394 99 H CYS 21 H CYS 21 -4.655 -10.820 -10.390 100 HA CYS 21 HA CYS 21 -2.302 -12.482 -10.920 101 HB2 CYS 21 HB2 CYS 21 -1.992 -10.152 -10.078 102 HB3 CYS 21 HB3 CYS 21 -2.821 -10.618 -8.596 103 H ILE 22 H ILE 22 -3.101 -14.548 -10.634 104 HA ILE 22 HA ILE 22 -3.804 -15.230 -7.860 105 HB ILE 22 HB ILE 22 -5.020 -16.647 -10.220 106 HG12 ILE 22 HG12 ILE 22 -5.678 -14.232 -10.193 107 HG13 ILE 22 HG13 ILE 22 -7.025 -15.338 -9.949 108 HG21 ILE 22 HG21 ILE 22 -5.226 -18.036 -8.393 109 HG22 ILE 22 HG22 ILE 22 -5.384 -16.696 -7.259 110 HG23 ILE 22 HG23 ILE 22 -6.732 -17.123 -8.312 111 HD11 ILE 22 HD11 ILE 22 -6.506 -13.154 -8.431 112 HD12 ILE 22 HD12 ILE 22 -7.455 -14.545 -7.906 113 HD13 ILE 22 HD13 ILE 22 -5.747 -14.431 -7.480 114 H ASP 23 H ASP 23 -3.267 -17.393 -7.218 115 HA ASP 23 HA ASP 23 -1.803 -19.122 -7.003 116 HB2 ASP 23 HB2 ASP 23 -3.144 -19.620 -9.231 117 HB3 ASP 23 HB3 ASP 23 -1.565 -19.368 -9.970 118 H GLY 24 H GLY 24 -0.801 -16.319 -7.502 119 HA2 GLY 24 HA2 GLY 24 1.302 -15.370 -7.429 120 HA3 GLY 24 HA3 GLY 24 1.984 -16.986 -7.550 121 H THR 25 H THR 25 -0.195 -16.585 -10.021 122 HA THR 25 HA THR 25 1.896 -15.625 -11.864 123 HB THR 25 HB THR 25 1.509 -18.096 -12.028 124 HG1 THR 25 HG1 THR 25 1.429 -18.031 -14.302 125 HG21 THR 25 HG21 THR 25 -1.187 -17.267 -13.110 126 HG22 THR 25 HG22 THR 25 -0.916 -18.051 -11.553 127 HG23 THR 25 HG23 THR 25 -0.539 -18.905 -13.049 128 H CYS 26 H CYS 26 0.903 -15.003 -14.050 129 HA CYS 26 HA CYS 26 -1.288 -13.164 -13.502 130 HB2 CYS 26 HB2 CYS 26 0.908 -12.581 -14.743 131 HB3 CYS 26 HB3 CYS 26 0.171 -13.392 -16.122 132 H HIS 27 H HIS 27 -3.199 -14.224 -13.563 133 HA HIS 27 HA HIS 27 -3.771 -16.226 -15.552 134 HB2 HIS 27 HB2 HIS 27 -5.426 -14.925 -13.392 135 HB3 HIS 27 HB3 HIS 27 -6.100 -16.093 -14.525 136 HD1 HIS 27 HD1 HIS 27 -6.238 -18.321 -13.491 137 HD2 HIS 27 HD2 HIS 27 -2.888 -16.235 -12.191 138 HE1 HIS 27 HE1 HIS 27 -5.054 -19.872 -11.904 139 H HIS 28 H HIS 28 -3.804 -15.384 -17.581 140 HA HIS 28 HA HIS 28 -4.694 -12.903 -18.400 141 HB2 HIS 28 HB2 HIS 28 -4.934 -13.872 -20.636 142 HB3 HIS 28 HB3 HIS 28 -3.465 -14.454 -19.857 143 HD1 HIS 28 HD1 HIS 28 -4.275 -16.182 -22.051 144 HD2 HIS 28 HD2 HIS 28 -5.973 -16.597 -18.282 145 HE1 HIS 28 HE1 HIS 28 -5.185 -18.526 -21.978 146 H GLU 29 H GLU 29 -6.649 -12.499 -19.832 147 HA GLU 29 HA GLU 29 -9.032 -13.955 -18.976 148 HB2 GLU 29 HB2 GLU 29 -8.437 -11.084 -18.389 149 HB3 GLU 29 HB3 GLU 29 -10.097 -11.559 -18.722 150 HG2 GLU 29 HG2 GLU 29 -8.393 -12.861 -16.617 151 HG3 GLU 29 HG3 GLU 29 -9.459 -11.493 -16.305 152 H SER 30 H SER 30 -10.507 -14.166 -20.556 153 HA SER 30 HA SER 30 -10.007 -12.710 -23.062 154 HB2 SER 30 HB2 SER 30 -11.342 -14.591 -24.105 155 HB3 SER 30 HB3 SER 30 -9.797 -15.070 -23.402 156 HG SER 30 HG SER 30 -11.415 -16.506 -22.762 157 H SER 31 H SER 31 -11.884 -12.122 -24.362 158 HA SER 31 HA SER 31 -14.111 -11.261 -22.650 159 HB2 SER 31 HB2 SER 31 -14.130 -9.310 -23.782 160 HB3 SER 31 HB3 SER 31 -12.547 -9.800 -24.387 161 HG SER 31 HG SER 31 -14.565 -9.271 -25.852 162 HA PRO 32 HA PRO 32 -17.073 -13.758 -24.707 163 HB2 PRO 32 HB2 PRO 32 -19.213 -12.098 -24.894 164 HB3 PRO 32 HB3 PRO 32 -18.673 -12.801 -23.365 165 HG2 PRO 32 HG2 PRO 32 -18.162 -10.070 -24.478 166 HG3 PRO 32 HG3 PRO 32 -18.590 -10.541 -22.823 167 HD2 PRO 32 HD2 PRO 32 -16.051 -9.957 -23.561 168 HD3 PRO 32 HD3 PRO 32 -16.429 -11.153 -22.305 169 H ASN 33 H ASN 33 -18.683 -13.752 -26.590 170 HA ASN 33 HA ASN 33 -17.760 -12.034 -28.787 171 HB2 ASN 33 HB2 ASN 33 -17.627 -13.907 -30.306 172 HB3 ASN 33 HB3 ASN 33 -16.619 -14.253 -28.903 173 HD21 ASN 33 HD21 ASN 33 -17.416 -15.722 -27.319 174 HD22 ASN 33 HD22 ASN 33 -18.567 -16.935 -27.754 Start of MODEL 10 1 H1 GLU 1 H GLU 1 1.685 0.919 -0.498 2 HA GLU 1 HA GLU 1 3.438 -0.324 -2.278 3 HB2 GLU 1 HB2 GLU 1 2.762 -1.132 0.018 4 HB3 GLU 1 HB3 GLU 1 1.274 -1.723 -0.707 5 HG2 GLU 1 HG2 GLU 1 2.365 -3.367 -1.922 6 HG3 GLU 1 HG3 GLU 1 3.928 -2.563 -1.792 7 H ASP 2 H ASP 2 1.769 1.014 -3.952 8 HA ASP 2 HA ASP 2 -0.116 -0.910 -5.073 9 HB2 ASP 2 HB2 ASP 2 0.505 1.876 -6.065 10 HB3 ASP 2 HB3 ASP 2 -0.895 0.886 -6.467 11 H CYS 3 H CYS 3 -0.054 -1.507 -7.314 12 HA CYS 3 HA CYS 3 2.697 -1.698 -8.323 13 HB2 CYS 3 HB2 CYS 3 1.143 -3.751 -7.865 14 HB3 CYS 3 HB3 CYS 3 0.407 -3.308 -9.402 15 H GLY 4 H GLY 4 -0.554 -1.609 -9.800 16 HA2 GLY 4 HA2 GLY 4 0.168 0.688 -11.404 17 HA3 GLY 4 HA3 GLY 4 0.026 -0.810 -12.312 18 H SER 5 H SER 5 -1.671 0.449 -13.432 19 HA SER 5 HA SER 5 -4.046 1.254 -12.166 20 HB2 SER 5 HB2 SER 5 -5.023 1.289 -14.411 21 HB3 SER 5 HB3 SER 5 -3.401 1.979 -14.437 22 HG SER 5 HG SER 5 -3.759 0.500 -16.158 23 H ASP 6 H ASP 6 -4.872 -0.269 -10.784 24 HA ASP 6 HA ASP 6 -6.134 -2.043 -10.126 25 HB2 ASP 6 HB2 ASP 6 -6.678 -2.593 -13.042 26 HB3 ASP 6 HB3 ASP 6 -7.695 -2.979 -11.657 27 H CYS 7 H CYS 7 -3.281 -2.335 -10.867 28 HA CYS 7 HA CYS 7 -3.200 -5.169 -11.631 29 HB2 CYS 7 HB2 CYS 7 -0.763 -3.444 -11.335 30 HB3 CYS 7 HB3 CYS 7 -1.005 -4.856 -12.359 31 H MET 8 H MET 8 -1.692 -6.576 -10.466 32 HA MET 8 HA MET 8 -1.228 -5.753 -7.684 33 HB2 MET 8 HB2 MET 8 -2.480 -8.347 -8.600 34 HB3 MET 8 HB3 MET 8 -1.923 -8.043 -6.960 35 HG2 MET 8 HG2 MET 8 -3.514 -5.963 -7.156 36 HG3 MET 8 HG3 MET 8 -4.279 -6.950 -8.400 37 HE1 MET 8 HE1 MET 8 -6.512 -8.488 -7.441 38 HE2 MET 8 HE2 MET 8 -6.899 -7.704 -5.909 39 HE3 MET 8 HE3 MET 8 -6.346 -6.739 -7.278 40 HA PRO 9 HA PRO 9 2.786 -7.465 -8.164 41 HB2 PRO 9 HB2 PRO 9 3.300 -8.317 -5.638 42 HB3 PRO 9 HB3 PRO 9 3.269 -6.608 -6.087 43 HG2 PRO 9 HG2 PRO 9 1.148 -8.258 -4.768 44 HG3 PRO 9 HG3 PRO 9 1.680 -6.609 -4.390 45 HD2 PRO 9 HD2 PRO 9 -0.560 -7.125 -5.821 46 HD3 PRO 9 HD3 PRO 9 0.437 -5.682 -6.095 47 H CYS 10 H CYS 10 3.244 -9.294 -9.200 48 HA CYS 10 HA CYS 10 2.272 -11.836 -8.068 49 HB2 CYS 10 HB2 CYS 10 1.994 -10.730 -10.753 50 HB3 CYS 10 HB3 CYS 10 2.725 -12.332 -10.759 51 H GLY 11 H GLY 11 4.265 -11.993 -6.899 52 HA2 GLY 11 HA2 GLY 11 6.444 -12.654 -6.592 53 HA3 GLY 11 HA3 GLY 11 6.187 -13.617 -8.039 54 H GLY 12 H GLY 12 6.980 -10.306 -7.004 55 HA2 GLY 12 HA2 GLY 12 8.488 -8.796 -7.851 56 HA3 GLY 12 HA3 GLY 12 9.278 -10.155 -8.638 57 H GLU 13 H GLU 13 5.993 -9.853 -9.436 58 HA GLU 13 HA GLU 13 6.656 -8.364 -11.888 59 HB2 GLU 13 HB2 GLU 13 4.727 -10.677 -11.835 60 HB3 GLU 13 HB3 GLU 13 5.422 -9.875 -13.236 61 HG2 GLU 13 HG2 GLU 13 7.673 -10.734 -12.108 62 HG3 GLU 13 HG3 GLU 13 6.568 -11.950 -11.470 63 H CYS 14 H CYS 14 4.211 -8.249 -13.063 64 HA CYS 14 HA CYS 14 2.300 -7.266 -11.092 65 HB2 CYS 14 HB2 CYS 14 3.967 -5.424 -11.983 66 HB3 CYS 14 HB3 CYS 14 2.912 -5.456 -13.393 67 H CYS 15 H CYS 15 0.282 -7.781 -11.645 68 HA CYS 15 HA CYS 15 -0.232 -8.538 -14.447 69 HB2 CYS 15 HB2 CYS 15 -0.311 -10.325 -12.563 70 HB3 CYS 15 HB3 CYS 15 -1.841 -9.570 -12.128 71 H CYS 16 H CYS 16 -1.395 -7.037 -15.443 72 HA CYS 16 HA CYS 16 -3.362 -5.494 -13.903 73 HB2 CYS 16 HB2 CYS 16 -2.315 -4.916 -16.678 74 HB3 CYS 16 HB3 CYS 16 -3.254 -3.838 -15.650 75 H GLU 17 H GLU 17 -5.464 -5.114 -14.779 76 HA GLU 17 HA GLU 17 -6.774 -7.390 -15.703 77 HB2 GLU 17 HB2 GLU 17 -7.476 -4.544 -15.330 78 HB3 GLU 17 HB3 GLU 17 -8.488 -5.432 -16.460 79 HG2 GLU 17 HG2 GLU 17 -8.146 -7.043 -14.157 80 HG3 GLU 17 HG3 GLU 17 -8.576 -5.418 -13.628 81 HA PRO 18 HA PRO 18 -8.958 -7.378 -16.905 82 HB2 PRO 18 HB2 PRO 18 -9.534 -9.482 -18.522 83 HB3 PRO 18 HB3 PRO 18 -10.043 -7.827 -18.880 84 HG2 PRO 18 HG2 PRO 18 -7.715 -9.370 -19.959 85 HG3 PRO 18 HG3 PRO 18 -8.852 -8.315 -20.818 86 HD2 PRO 18 HD2 PRO 18 -6.377 -7.498 -20.086 87 HD3 PRO 18 HD3 PRO 18 -7.765 -6.393 -20.157 88 H ASN 19 H ASN 19 -5.954 -8.806 -17.649 89 HA ASN 19 HA ASN 19 -6.155 -11.392 -16.707 90 HB2 ASN 19 HB2 ASN 19 -3.780 -9.660 -16.058 91 HB3 ASN 19 HB3 ASN 19 -3.812 -11.375 -16.457 92 HD21 ASN 19 HD21 ASN 19 -2.777 -8.595 -17.593 93 HD22 ASN 19 HD22 ASN 19 -2.977 -8.826 -19.293 94 H SER 20 H SER 20 -5.059 -12.160 -14.598 95 HA SER 20 HA SER 20 -5.761 -10.459 -12.322 96 HB2 SER 20 HB2 SER 20 -6.964 -13.122 -12.981 97 HB3 SER 20 HB3 SER 20 -6.723 -12.683 -11.289 98 HG SER 20 HG SER 20 -8.411 -11.460 -11.445 99 H CYS 21 H CYS 21 -4.661 -10.951 -10.399 100 HA CYS 21 HA CYS 21 -2.224 -12.522 -10.817 101 HB2 CYS 21 HB2 CYS 21 -2.075 -10.130 -10.064 102 HB3 CYS 21 HB3 CYS 21 -2.853 -10.612 -8.560 103 H ILE 22 H ILE 22 -2.940 -14.608 -10.455 104 HA ILE 22 HA ILE 22 -3.663 -15.201 -7.665 105 HB ILE 22 HB ILE 22 -4.759 -16.775 -9.984 106 HG12 ILE 22 HG12 ILE 22 -5.534 -14.396 -10.068 107 HG13 ILE 22 HG13 ILE 22 -6.830 -15.557 -9.806 108 HG21 ILE 22 HG21 ILE 22 -5.158 -18.153 -8.256 109 HG22 ILE 22 HG22 ILE 22 -4.953 -16.875 -7.059 110 HG23 ILE 22 HG23 ILE 22 -6.487 -17.047 -7.910 111 HD11 ILE 22 HD11 ILE 22 -7.353 -14.692 -7.819 112 HD12 ILE 22 HD12 ILE 22 -5.664 -14.506 -7.345 113 HD13 ILE 22 HD13 ILE 22 -6.434 -13.289 -8.364 114 H ASP 23 H ASP 23 -3.031 -17.298 -6.912 115 HA ASP 23 HA ASP 23 -1.490 -18.943 -6.591 116 HB2 ASP 23 HB2 ASP 23 -2.768 -19.681 -8.740 117 HB3 ASP 23 HB3 ASP 23 -1.270 -19.262 -9.568 118 H GLY 24 H GLY 24 -0.616 -16.119 -7.210 119 HA2 GLY 24 HA2 GLY 24 1.438 -15.068 -7.139 120 HA3 GLY 24 HA3 GLY 24 2.199 -16.652 -7.179 121 H THR 25 H THR 25 0.049 -16.466 -9.700 122 HA THR 25 HA THR 25 2.122 -15.481 -11.549 123 HB THR 25 HB THR 25 1.867 -17.974 -11.608 124 HG1 THR 25 HG1 THR 25 2.639 -17.021 -13.463 125 HG21 THR 25 HG21 THR 25 -0.117 -18.936 -12.625 126 HG22 THR 25 HG22 THR 25 -0.846 -17.337 -12.774 127 HG23 THR 25 HG23 THR 25 -0.567 -18.034 -11.178 128 H CYS 26 H CYS 26 1.153 -14.982 -13.766 129 HA CYS 26 HA CYS 26 -1.147 -13.252 -13.339 130 HB2 CYS 26 HB2 CYS 26 1.040 -12.605 -14.564 131 HB3 CYS 26 HB3 CYS 26 0.374 -13.507 -15.921 132 H HIS 27 H HIS 27 -2.999 -14.413 -13.392 133 HA HIS 27 HA HIS 27 -3.423 -16.524 -15.304 134 HB2 HIS 27 HB2 HIS 27 -5.190 -15.222 -13.234 135 HB3 HIS 27 HB3 HIS 27 -5.779 -16.469 -14.329 136 HD1 HIS 27 HD1 HIS 27 -5.826 -18.655 -13.202 137 HD2 HIS 27 HD2 HIS 27 -2.613 -16.348 -11.931 138 HE1 HIS 27 HE1 HIS 27 -4.599 -20.075 -11.528 139 H HIS 28 H HIS 28 -3.480 -15.797 -17.370 140 HA HIS 28 HA HIS 28 -4.477 -13.394 -18.311 141 HB2 HIS 28 HB2 HIS 28 -4.800 -14.665 -20.501 142 HB3 HIS 28 HB3 HIS 28 -3.183 -14.691 -19.805 143 HD1 HIS 28 HD1 HIS 28 -2.359 -16.907 -20.629 144 HD2 HIS 28 HD2 HIS 28 -6.083 -17.173 -18.807 145 HE1 HIS 28 HE1 HIS 28 -2.848 -19.368 -20.455 146 H GLU 29 H GLU 29 -6.420 -13.093 -19.730 147 HA GLU 29 HA GLU 29 -8.739 -14.649 -18.838 148 HB2 GLU 29 HB2 GLU 29 -8.301 -11.711 -18.510 149 HB3 GLU 29 HB3 GLU 29 -9.927 -12.295 -18.832 150 HG2 GLU 29 HG2 GLU 29 -9.403 -13.932 -16.860 151 HG3 GLU 29 HG3 GLU 29 -8.202 -12.711 -16.445 152 H SER 30 H SER 30 -10.631 -14.381 -20.211 153 HA SER 30 HA SER 30 -10.282 -13.095 -22.777 154 HB2 SER 30 HB2 SER 30 -10.682 -16.093 -22.680 155 HB3 SER 30 HB3 SER 30 -10.520 -15.092 -24.123 156 HG SER 30 HG SER 30 -8.470 -15.484 -23.939 157 H SER 31 H SER 31 -12.171 -12.278 -23.385 158 HA SER 31 HA SER 31 -14.642 -13.631 -22.543 159 HB2 SER 31 HB2 SER 31 -15.058 -11.925 -21.139 160 HB3 SER 31 HB3 SER 31 -13.709 -10.984 -21.776 161 HG SER 31 HG SER 31 -15.630 -9.898 -22.188 162 HA PRO 32 HA PRO 32 -16.097 -13.097 -26.646 163 HB2 PRO 32 HB2 PRO 32 -18.727 -12.541 -26.270 164 HB3 PRO 32 HB3 PRO 32 -18.035 -14.144 -25.996 165 HG2 PRO 32 HG2 PRO 32 -18.685 -11.997 -24.014 166 HG3 PRO 32 HG3 PRO 32 -18.972 -13.743 -23.905 167 HD2 PRO 32 HD2 PRO 32 -16.893 -12.528 -22.666 168 HD3 PRO 32 HD3 PRO 32 -16.797 -14.189 -23.287 169 H ASN 33 H ASN 33 -17.217 -11.585 -28.150 170 HA ASN 33 HA ASN 33 -17.186 -9.529 -29.148 171 HB2 ASN 33 HB2 ASN 33 -18.727 -8.041 -28.253 172 HB3 ASN 33 HB3 ASN 33 -19.198 -9.550 -27.476 173 HD21 ASN 33 HD21 ASN 33 -19.263 -9.628 -25.332 174 HD22 ASN 33 HD22 ASN 33 -18.667 -8.402 -24.270 Start of MODEL 11 1 H1 GLU 1 H GLU 1 1.835 -0.690 -1.494 2 HA GLU 1 HA GLU 1 1.338 1.866 -2.766 3 HB2 GLU 1 HB2 GLU 1 3.196 1.644 -4.359 4 HB3 GLU 1 HB3 GLU 1 3.773 1.819 -2.708 5 HG2 GLU 1 HG2 GLU 1 3.455 -0.875 -3.975 6 HG3 GLU 1 HG3 GLU 1 4.909 0.093 -4.209 7 H ASP 2 H ASP 2 0.621 1.667 -4.959 8 HA ASP 2 HA ASP 2 -0.754 -0.844 -5.427 9 HB2 ASP 2 HB2 ASP 2 -0.821 1.709 -7.049 10 HB3 ASP 2 HB3 ASP 2 -1.929 0.348 -7.195 11 H CYS 3 H CYS 3 -0.828 -1.672 -7.730 12 HA CYS 3 HA CYS 3 1.926 -1.931 -8.686 13 HB2 CYS 3 HB2 CYS 3 0.286 -3.903 -8.137 14 HB3 CYS 3 HB3 CYS 3 -0.358 -3.560 -9.740 15 H GLY 4 H GLY 4 -1.296 -1.804 -10.227 16 HA2 GLY 4 HA2 GLY 4 -0.491 0.348 -11.959 17 HA3 GLY 4 HA3 GLY 4 -0.578 -1.200 -12.785 18 H SER 5 H SER 5 -2.222 0.007 -14.052 19 HA SER 5 HA SER 5 -4.665 0.842 -12.943 20 HB2 SER 5 HB2 SER 5 -4.262 -0.235 -15.740 21 HB3 SER 5 HB3 SER 5 -5.502 0.894 -15.197 22 HG SER 5 HG SER 5 -4.110 2.350 -15.794 23 H ASP 6 H ASP 6 -5.551 -0.630 -11.543 24 HA ASP 6 HA ASP 6 -6.835 -2.387 -10.879 25 HB2 ASP 6 HB2 ASP 6 -7.920 -1.720 -13.190 26 HB3 ASP 6 HB3 ASP 6 -7.259 -3.269 -13.704 27 H CYS 7 H CYS 7 -3.946 -2.682 -11.434 28 HA CYS 7 HA CYS 7 -3.801 -5.547 -12.067 29 HB2 CYS 7 HB2 CYS 7 -1.393 -3.790 -11.732 30 HB3 CYS 7 HB3 CYS 7 -1.578 -5.245 -12.705 31 H MET 8 H MET 8 -2.312 -6.867 -10.766 32 HA MET 8 HA MET 8 -2.074 -5.924 -7.990 33 HB2 MET 8 HB2 MET 8 -3.020 -8.652 -8.883 34 HB3 MET 8 HB3 MET 8 -2.687 -8.196 -7.218 35 HG2 MET 8 HG2 MET 8 -4.425 -6.267 -7.862 36 HG3 MET 8 HG3 MET 8 -4.983 -7.540 -8.945 37 HE1 MET 8 HE1 MET 8 -6.633 -9.131 -8.364 38 HE2 MET 8 HE2 MET 8 -7.427 -9.212 -6.791 39 HE3 MET 8 HE3 MET 8 -7.419 -7.699 -7.698 40 HA PRO 9 HA PRO 9 2.080 -7.337 -8.143 41 HB2 PRO 9 HB2 PRO 9 2.482 -8.040 -5.552 42 HB3 PRO 9 HB3 PRO 9 2.359 -6.359 -6.082 43 HG2 PRO 9 HG2 PRO 9 0.278 -8.106 -4.826 44 HG3 PRO 9 HG3 PRO 9 0.662 -6.407 -4.492 45 HD2 PRO 9 HD2 PRO 9 -1.432 -7.150 -6.039 46 HD3 PRO 9 HD3 PRO 9 -0.525 -5.649 -6.316 47 H CYS 10 H CYS 10 2.989 -9.170 -8.825 48 HA CYS 10 HA CYS 10 2.062 -11.724 -7.704 49 HB2 CYS 10 HB2 CYS 10 2.654 -11.340 -10.639 50 HB3 CYS 10 HB3 CYS 10 1.933 -12.744 -9.859 51 H GLY 11 H GLY 11 4.171 -10.976 -6.533 52 HA2 GLY 11 HA2 GLY 11 6.393 -11.370 -6.116 53 HA3 GLY 11 HA3 GLY 11 6.200 -12.769 -7.163 54 H GLY 12 H GLY 12 6.952 -9.318 -7.120 55 HA2 GLY 12 HA2 GLY 12 8.344 -8.071 -8.455 56 HA3 GLY 12 HA3 GLY 12 9.053 -9.589 -8.987 57 H GLU 13 H GLU 13 5.698 -9.429 -9.467 58 HA GLU 13 HA GLU 13 6.050 -8.507 -12.238 59 HB2 GLU 13 HB2 GLU 13 4.458 -10.925 -11.365 60 HB3 GLU 13 HB3 GLU 13 4.534 -10.290 -13.003 61 HG2 GLU 13 HG2 GLU 13 7.069 -11.031 -11.637 62 HG3 GLU 13 HG3 GLU 13 6.025 -12.310 -12.256 63 H CYS 14 H CYS 14 3.686 -8.397 -13.259 64 HA CYS 14 HA CYS 14 1.741 -7.378 -11.347 65 HB2 CYS 14 HB2 CYS 14 3.413 -5.542 -12.286 66 HB3 CYS 14 HB3 CYS 14 2.328 -5.601 -13.672 67 H CYS 15 H CYS 15 -0.116 -8.302 -11.869 68 HA CYS 15 HA CYS 15 -0.623 -8.983 -14.683 69 HB2 CYS 15 HB2 CYS 15 -0.644 -10.746 -12.777 70 HB3 CYS 15 HB3 CYS 15 -2.208 -10.051 -12.363 71 H CYS 16 H CYS 16 -1.853 -7.566 -15.718 72 HA CYS 16 HA CYS 16 -3.890 -6.075 -14.219 73 HB2 CYS 16 HB2 CYS 16 -2.908 -5.504 -17.017 74 HB3 CYS 16 HB3 CYS 16 -3.826 -4.435 -15.961 75 H GLU 17 H GLU 17 -6.002 -5.795 -15.123 76 HA GLU 17 HA GLU 17 -7.210 -8.149 -15.994 77 HB2 GLU 17 HB2 GLU 17 -8.033 -5.331 -15.679 78 HB3 GLU 17 HB3 GLU 17 -8.997 -6.275 -16.806 79 HG2 GLU 17 HG2 GLU 17 -8.705 -7.908 -14.573 80 HG3 GLU 17 HG3 GLU 17 -8.990 -6.293 -13.927 81 HA PRO 18 HA PRO 18 -9.391 -8.252 -17.204 82 HB2 PRO 18 HB2 PRO 18 -9.875 -10.413 -18.775 83 HB3 PRO 18 HB3 PRO 18 -10.447 -8.788 -19.173 84 HG2 PRO 18 HG2 PRO 18 -8.055 -10.260 -20.208 85 HG3 PRO 18 HG3 PRO 18 -9.230 -9.271 -21.094 86 HD2 PRO 18 HD2 PRO 18 -6.792 -8.340 -20.372 87 HD3 PRO 18 HD3 PRO 18 -8.222 -7.293 -20.473 88 H ASN 19 H ASN 19 -6.329 -9.576 -17.906 89 HA ASN 19 HA ASN 19 -6.432 -12.146 -16.905 90 HB2 ASN 19 HB2 ASN 19 -4.129 -10.308 -16.287 91 HB3 ASN 19 HB3 ASN 19 -4.092 -12.031 -16.650 92 HD21 ASN 19 HD21 ASN 19 -3.162 -9.237 -17.840 93 HD22 ASN 19 HD22 ASN 19 -3.346 -9.510 -19.536 94 H SER 20 H SER 20 -5.313 -12.820 -14.775 95 HA SER 20 HA SER 20 -6.104 -11.100 -12.542 96 HB2 SER 20 HB2 SER 20 -7.168 -13.834 -13.142 97 HB3 SER 20 HB3 SER 20 -6.957 -13.345 -11.460 98 HG SER 20 HG SER 20 -8.477 -11.835 -11.685 99 H CYS 21 H CYS 21 -4.990 -11.490 -10.603 100 HA CYS 21 HA CYS 21 -2.475 -12.945 -10.976 101 HB2 CYS 21 HB2 CYS 21 -2.420 -10.543 -10.287 102 HB3 CYS 21 HB3 CYS 21 -3.225 -10.997 -8.788 103 H ILE 22 H ILE 22 -3.081 -15.056 -10.565 104 HA ILE 22 HA ILE 22 -3.785 -15.618 -7.764 105 HB ILE 22 HB ILE 22 -4.799 -17.299 -10.045 106 HG12 ILE 22 HG12 ILE 22 -5.686 -14.962 -10.191 107 HG13 ILE 22 HG13 ILE 22 -6.926 -16.178 -9.901 108 HG21 ILE 22 HG21 ILE 22 -6.516 -17.581 -7.951 109 HG22 ILE 22 HG22 ILE 22 -5.160 -18.654 -8.296 110 HG23 ILE 22 HG23 ILE 22 -4.977 -17.350 -7.123 111 HD11 ILE 22 HD11 ILE 22 -5.777 -14.934 -7.498 112 HD12 ILE 22 HD12 ILE 22 -6.732 -13.877 -8.538 113 HD13 ILE 22 HD13 ILE 22 -7.448 -15.348 -7.882 114 H ASP 23 H ASP 23 -3.056 -17.669 -6.964 115 HA ASP 23 HA ASP 23 -1.438 -19.228 -6.605 116 HB2 ASP 23 HB2 ASP 23 -2.674 -20.078 -8.735 117 HB3 ASP 23 HB3 ASP 23 -1.200 -19.602 -9.574 118 H GLY 24 H GLY 24 -0.698 -16.381 -7.280 119 HA2 GLY 24 HA2 GLY 24 1.301 -15.229 -7.237 120 HA3 GLY 24 HA3 GLY 24 2.138 -16.774 -7.232 121 H THR 25 H THR 25 -0.012 -16.751 -9.764 122 HA THR 25 HA THR 25 2.023 -15.722 -11.632 123 HB THR 25 HB THR 25 1.880 -18.226 -11.627 124 HG1 THR 25 HG1 THR 25 1.977 -18.309 -13.854 125 HG21 THR 25 HG21 THR 25 -0.054 -19.301 -12.625 126 HG22 THR 25 HG22 THR 25 -0.854 -17.740 -12.816 127 HG23 THR 25 HG23 THR 25 -0.550 -18.384 -11.203 128 H CYS 26 H CYS 26 1.035 -15.338 -13.868 129 HA CYS 26 HA CYS 26 -1.339 -13.695 -13.492 130 HB2 CYS 26 HB2 CYS 26 0.825 -12.992 -14.734 131 HB3 CYS 26 HB3 CYS 26 0.194 -13.955 -16.066 132 H HIS 27 H HIS 27 -3.137 -14.938 -13.515 133 HA HIS 27 HA HIS 27 -3.464 -17.117 -15.368 134 HB2 HIS 27 HB2 HIS 27 -5.290 -15.839 -13.335 135 HB3 HIS 27 HB3 HIS 27 -5.821 -17.141 -14.396 136 HD1 HIS 27 HD1 HIS 27 -5.774 -19.295 -13.209 137 HD2 HIS 27 HD2 HIS 27 -2.666 -16.814 -12.003 138 HE1 HIS 27 HE1 HIS 27 -4.487 -20.613 -11.497 139 H HIS 28 H HIS 28 -3.541 -16.440 -17.453 140 HA HIS 28 HA HIS 28 -4.633 -14.115 -18.466 141 HB2 HIS 28 HB2 HIS 28 -4.924 -15.467 -20.612 142 HB3 HIS 28 HB3 HIS 28 -3.303 -15.418 -19.925 143 HD1 HIS 28 HD1 HIS 28 -2.414 -17.633 -20.685 144 HD2 HIS 28 HD2 HIS 28 -6.117 -17.958 -18.828 145 HE1 HIS 28 HE1 HIS 28 -2.822 -20.101 -20.428 146 H GLU 29 H GLU 29 -6.591 -13.937 -19.895 147 HA GLU 29 HA GLU 29 -8.846 -15.584 -19.053 148 HB2 GLU 29 HB2 GLU 29 -8.564 -12.646 -18.516 149 HB3 GLU 29 HB3 GLU 29 -10.155 -13.346 -18.779 150 HG2 GLU 29 HG2 GLU 29 -8.207 -14.274 -16.682 151 HG3 GLU 29 HG3 GLU 29 -9.532 -13.147 -16.397 152 H SER 30 H SER 30 -10.865 -14.947 -20.301 153 HA SER 30 HA SER 30 -10.185 -13.913 -22.968 154 HB2 SER 30 HB2 SER 30 -11.890 -16.361 -22.451 155 HB3 SER 30 HB3 SER 30 -11.474 -15.687 -24.027 156 HG SER 30 HG SER 30 -10.134 -17.480 -22.670 157 H SER 31 H SER 31 -11.214 -12.059 -21.653 158 HA SER 31 HA SER 31 -13.978 -11.861 -22.513 159 HB2 SER 31 HB2 SER 31 -13.150 -11.715 -19.616 160 HB3 SER 31 HB3 SER 31 -14.624 -10.948 -20.208 161 HG SER 31 HG SER 31 -14.939 -13.103 -19.401 162 HA PRO 32 HA PRO 32 -11.388 -8.014 -22.955 163 HB2 PRO 32 HB2 PRO 32 -11.945 -7.648 -25.587 164 HB3 PRO 32 HB3 PRO 32 -10.610 -8.657 -25.019 165 HG2 PRO 32 HG2 PRO 32 -13.339 -9.470 -25.941 166 HG3 PRO 32 HG3 PRO 32 -11.769 -10.206 -26.309 167 HD2 PRO 32 HD2 PRO 32 -13.454 -11.223 -24.449 168 HD3 PRO 32 HD3 PRO 32 -11.689 -11.340 -24.304 169 H ASN 33 H ASN 33 -12.170 -5.946 -22.900 170 HA ASN 33 HA ASN 33 -14.950 -5.464 -23.672 171 HB2 ASN 33 HB2 ASN 33 -15.073 -6.003 -21.301 172 HB3 ASN 33 HB3 ASN 33 -13.807 -4.831 -20.942 173 HD21 ASN 33 HD21 ASN 33 -15.558 -4.119 -19.449 174 HD22 ASN 33 HD22 ASN 33 -16.686 -2.955 -20.046 Start of MODEL 12 1 H1 GLU 1 H GLU 1 0.625 -1.440 0.181 2 HA GLU 1 HA GLU 1 2.585 -1.497 -1.682 3 HB2 GLU 1 HB2 GLU 1 2.019 -3.967 -1.977 4 HB3 GLU 1 HB3 GLU 1 2.330 -3.413 -0.338 5 HG2 GLU 1 HG2 GLU 1 0.135 -3.627 0.302 6 HG3 GLU 1 HG3 GLU 1 -0.471 -3.474 -1.347 7 H ASP 2 H ASP 2 1.477 0.092 -3.210 8 HA ASP 2 HA ASP 2 -0.423 -0.995 -5.070 9 HB2 ASP 2 HB2 ASP 2 -0.053 1.489 -4.371 10 HB3 ASP 2 HB3 ASP 2 1.208 1.467 -5.601 11 H CYS 3 H CYS 3 -0.074 -1.447 -7.273 12 HA CYS 3 HA CYS 3 2.721 -2.116 -7.928 13 HB2 CYS 3 HB2 CYS 3 0.881 -3.964 -7.650 14 HB3 CYS 3 HB3 CYS 3 0.388 -3.447 -9.259 15 H GLY 4 H GLY 4 -0.343 -1.620 -9.697 16 HA2 GLY 4 HA2 GLY 4 0.780 0.577 -11.193 17 HA3 GLY 4 HA3 GLY 4 0.598 -0.895 -12.136 18 H SER 5 H SER 5 -0.834 0.527 -13.418 19 HA SER 5 HA SER 5 -3.248 1.553 -12.409 20 HB2 SER 5 HB2 SER 5 -2.724 0.601 -15.234 21 HB3 SER 5 HB3 SER 5 -3.940 1.770 -14.719 22 HG SER 5 HG SER 5 -1.449 2.246 -15.432 23 H ASP 6 H ASP 6 -4.361 0.104 -11.153 24 HA ASP 6 HA ASP 6 -5.857 -1.542 -10.674 25 HB2 ASP 6 HB2 ASP 6 -6.104 -1.990 -13.649 26 HB3 ASP 6 HB3 ASP 6 -7.298 -2.341 -12.403 27 H CYS 7 H CYS 7 -2.972 -2.098 -11.116 28 HA CYS 7 HA CYS 7 -3.080 -4.928 -11.892 29 HB2 CYS 7 HB2 CYS 7 -0.533 -3.448 -11.325 30 HB3 CYS 7 HB3 CYS 7 -0.804 -4.824 -12.389 31 H MET 8 H MET 8 -1.767 -6.448 -10.594 32 HA MET 8 HA MET 8 -1.627 -5.687 -7.757 33 HB2 MET 8 HB2 MET 8 -2.940 -8.103 -8.975 34 HB3 MET 8 HB3 MET 8 -2.372 -8.114 -7.311 35 HG2 MET 8 HG2 MET 8 -4.142 -5.897 -8.198 36 HG3 MET 8 HG3 MET 8 -4.846 -7.487 -7.910 37 HE1 MET 8 HE1 MET 8 -5.655 -4.939 -6.729 38 HE2 MET 8 HE2 MET 8 -5.633 -4.973 -4.966 39 HE3 MET 8 HE3 MET 8 -4.356 -4.133 -5.848 40 HA PRO 9 HA PRO 9 2.385 -7.470 -7.763 41 HB2 PRO 9 HB2 PRO 9 2.564 -8.343 -5.198 42 HB3 PRO 9 HB3 PRO 9 2.625 -6.632 -5.637 43 HG2 PRO 9 HG2 PRO 9 0.323 -8.241 -4.601 44 HG3 PRO 9 HG3 PRO 9 0.839 -6.606 -4.149 45 HD2 PRO 9 HD2 PRO 9 -1.217 -7.067 -5.850 46 HD3 PRO 9 HD3 PRO 9 -0.163 -5.645 -5.989 47 H CYS 10 H CYS 10 3.165 -9.342 -8.498 48 HA CYS 10 HA CYS 10 1.945 -11.854 -7.581 49 HB2 CYS 10 HB2 CYS 10 2.746 -11.370 -10.451 50 HB3 CYS 10 HB3 CYS 10 1.859 -12.743 -9.796 51 H GLY 11 H GLY 11 4.040 -11.360 -6.255 52 HA2 GLY 11 HA2 GLY 11 6.189 -11.980 -5.738 53 HA3 GLY 11 HA3 GLY 11 5.932 -13.303 -6.866 54 H GLY 12 H GLY 12 6.997 -9.947 -6.596 55 HA2 GLY 12 HA2 GLY 12 8.574 -8.776 -7.785 56 HA3 GLY 12 HA3 GLY 12 9.167 -10.326 -8.362 57 H GLU 13 H GLU 13 5.875 -9.818 -9.008 58 HA GLU 13 HA GLU 13 6.470 -8.795 -11.701 59 HB2 GLU 13 HB2 GLU 13 4.622 -11.098 -11.050 60 HB3 GLU 13 HB3 GLU 13 4.842 -10.386 -12.642 61 HG2 GLU 13 HG2 GLU 13 7.032 -11.700 -11.055 62 HG3 GLU 13 HG3 GLU 13 6.077 -12.504 -12.299 63 H CYS 14 H CYS 14 4.186 -8.416 -12.838 64 HA CYS 14 HA CYS 14 2.233 -7.320 -10.978 65 HB2 CYS 14 HB2 CYS 14 4.119 -5.602 -11.722 66 HB3 CYS 14 HB3 CYS 14 3.108 -5.482 -13.158 67 H CYS 15 H CYS 15 0.336 -8.040 -11.653 68 HA CYS 15 HA CYS 15 -0.063 -8.518 -14.527 69 HB2 CYS 15 HB2 CYS 15 -0.353 -10.372 -12.731 70 HB3 CYS 15 HB3 CYS 15 -1.872 -9.560 -12.365 71 H CYS 16 H CYS 16 -1.107 -6.947 -15.544 72 HA CYS 16 HA CYS 16 -3.086 -5.356 -14.068 73 HB2 CYS 16 HB2 CYS 16 -1.899 -4.723 -16.772 74 HB3 CYS 16 HB3 CYS 16 -2.772 -3.635 -15.697 75 H GLU 17 H GLU 17 -5.106 -4.833 -15.068 76 HA GLU 17 HA GLU 17 -6.466 -7.016 -16.140 77 HB2 GLU 17 HB2 GLU 17 -7.052 -4.142 -15.742 78 HB3 GLU 17 HB3 GLU 17 -8.047 -4.973 -16.929 79 HG2 GLU 17 HG2 GLU 17 -8.223 -6.746 -14.959 80 HG3 GLU 17 HG3 GLU 17 -7.917 -5.304 -13.993 81 HA PRO 18 HA PRO 18 -8.571 -6.854 -17.471 82 HB2 PRO 18 HB2 PRO 18 -9.150 -8.875 -19.188 83 HB3 PRO 18 HB3 PRO 18 -9.551 -7.186 -19.522 84 HG2 PRO 18 HG2 PRO 18 -7.241 -8.816 -20.508 85 HG3 PRO 18 HG3 PRO 18 -8.269 -7.678 -21.399 86 HD2 PRO 18 HD2 PRO 18 -5.805 -7.014 -20.492 87 HD3 PRO 18 HD3 PRO 18 -7.128 -5.836 -20.611 88 H ASN 19 H ASN 19 -5.602 -8.415 -18.080 89 HA ASN 19 HA ASN 19 -5.993 -11.014 -17.236 90 HB2 ASN 19 HB2 ASN 19 -3.576 -9.431 -16.390 91 HB3 ASN 19 HB3 ASN 19 -3.672 -11.129 -16.847 92 HD21 ASN 19 HD21 ASN 19 -2.424 -8.378 -17.825 93 HD22 ASN 19 HD22 ASN 19 -2.532 -8.545 -19.541 94 H SER 20 H SER 20 -5.067 -11.899 -15.091 95 HA SER 20 HA SER 20 -5.831 -10.232 -12.808 96 HB2 SER 20 HB2 SER 20 -7.099 -12.820 -13.621 97 HB3 SER 20 HB3 SER 20 -6.945 -12.442 -11.905 98 HG SER 20 HG SER 20 -8.591 -11.341 -13.816 99 H CYS 21 H CYS 21 -4.870 -10.821 -10.840 100 HA CYS 21 HA CYS 21 -2.479 -12.482 -11.158 101 HB2 CYS 21 HB2 CYS 21 -2.253 -10.134 -10.328 102 HB3 CYS 21 HB3 CYS 21 -3.180 -10.593 -8.903 103 H ILE 22 H ILE 22 -3.291 -14.547 -10.903 104 HA ILE 22 HA ILE 22 -4.207 -15.189 -8.182 105 HB ILE 22 HB ILE 22 -5.230 -16.648 -10.608 106 HG12 ILE 22 HG12 ILE 22 -5.895 -14.235 -10.670 107 HG13 ILE 22 HG13 ILE 22 -7.254 -15.343 -10.516 108 HG21 ILE 22 HG21 ILE 22 -5.459 -17.954 -8.663 109 HG22 ILE 22 HG22 ILE 22 -5.979 -16.572 -7.700 110 HG23 ILE 22 HG23 ILE 22 -7.047 -17.237 -8.935 111 HD11 ILE 22 HD11 ILE 22 -6.095 -14.255 -8.021 112 HD12 ILE 22 HD12 ILE 22 -7.028 -13.161 -9.042 113 HD13 ILE 22 HD13 ILE 22 -7.768 -14.638 -8.426 114 H ASP 23 H ASP 23 -3.713 -17.338 -7.465 115 HA ASP 23 HA ASP 23 -2.264 -19.057 -7.110 116 HB2 ASP 23 HB2 ASP 23 -3.443 -19.764 -9.267 117 HB3 ASP 23 HB3 ASP 23 -1.988 -19.235 -10.107 118 H GLY 24 H GLY 24 -1.235 -16.258 -7.576 119 HA2 GLY 24 HA2 GLY 24 0.852 -15.298 -7.358 120 HA3 GLY 24 HA3 GLY 24 1.547 -16.912 -7.396 121 H THR 25 H THR 25 -0.437 -16.560 -10.037 122 HA THR 25 HA THR 25 1.790 -15.627 -11.728 123 HB THR 25 HB THR 25 1.418 -18.103 -11.876 124 HG1 THR 25 HG1 THR 25 2.355 -17.269 -13.666 125 HG21 THR 25 HG21 THR 25 -1.036 -18.057 -11.599 126 HG22 THR 25 HG22 THR 25 -0.543 -18.931 -13.049 127 HG23 THR 25 HG23 THR 25 -1.183 -17.293 -13.181 128 H CYS 26 H CYS 26 0.973 -15.039 -13.992 129 HA CYS 26 HA CYS 26 -1.259 -13.200 -13.649 130 HB2 CYS 26 HB2 CYS 26 1.028 -12.637 -14.728 131 HB3 CYS 26 HB3 CYS 26 0.396 -13.468 -16.146 132 H HIS 27 H HIS 27 -3.159 -14.265 -13.841 133 HA HIS 27 HA HIS 27 -3.571 -16.302 -15.833 134 HB2 HIS 27 HB2 HIS 27 -5.390 -14.970 -13.830 135 HB3 HIS 27 HB3 HIS 27 -5.974 -16.156 -14.993 136 HD1 HIS 27 HD1 HIS 27 -6.191 -18.368 -13.936 137 HD2 HIS 27 HD2 HIS 27 -2.952 -16.256 -12.416 138 HE1 HIS 27 HE1 HIS 27 -5.133 -19.891 -12.238 139 H HIS 28 H HIS 28 -3.444 -15.494 -17.872 140 HA HIS 28 HA HIS 28 -4.274 -13.030 -18.800 141 HB2 HIS 28 HB2 HIS 28 -4.543 -14.231 -21.040 142 HB3 HIS 28 HB3 HIS 28 -2.968 -14.351 -20.261 143 HD1 HIS 28 HD1 HIS 28 -2.292 -16.571 -21.277 144 HD2 HIS 28 HD2 HIS 28 -5.944 -16.727 -19.302 145 HE1 HIS 28 HE1 HIS 28 -2.882 -19.012 -21.147 146 H GLU 29 H GLU 29 -6.111 -12.639 -20.370 147 HA GLU 29 HA GLU 29 -8.545 -14.115 -19.747 148 HB2 GLU 29 HB2 GLU 29 -8.008 -11.290 -18.951 149 HB3 GLU 29 HB3 GLU 29 -9.628 -11.712 -19.488 150 HG2 GLU 29 HG2 GLU 29 -8.123 -12.975 -17.209 151 HG3 GLU 29 HG3 GLU 29 -9.461 -11.835 -17.078 152 H SER 30 H SER 30 -9.728 -14.393 -21.521 153 HA SER 30 HA SER 30 -8.984 -12.978 -23.945 154 HB2 SER 30 HB2 SER 30 -9.240 -15.274 -24.343 155 HB3 SER 30 HB3 SER 30 -10.694 -15.379 -23.350 156 HG SER 30 HG SER 30 -11.875 -14.536 -24.955 157 H SER 31 H SER 31 -11.617 -13.124 -21.666 158 HA SER 31 HA SER 31 -13.566 -11.963 -21.464 159 HB2 SER 31 HB2 SER 31 -11.852 -10.100 -21.469 160 HB3 SER 31 HB3 SER 31 -12.222 -9.867 -23.178 161 HG SER 31 HG SER 31 -13.934 -9.535 -20.950 162 HA PRO 32 HA PRO 32 -14.953 -13.303 -25.691 163 HB2 PRO 32 HB2 PRO 32 -16.827 -15.043 -24.780 164 HB3 PRO 32 HB3 PRO 32 -15.135 -15.493 -25.020 165 HG2 PRO 32 HG2 PRO 32 -16.554 -14.739 -22.495 166 HG3 PRO 32 HG3 PRO 32 -15.386 -16.043 -22.775 167 HD2 PRO 32 HD2 PRO 32 -14.696 -13.693 -21.619 168 HD3 PRO 32 HD3 PRO 32 -13.576 -14.622 -22.636 169 H ASN 33 H ASN 33 -16.630 -12.295 -22.777 170 HA ASN 33 HA ASN 33 -18.971 -11.464 -24.309 171 HB2 ASN 33 HB2 ASN 33 -19.330 -12.619 -22.165 172 HB3 ASN 33 HB3 ASN 33 -18.442 -11.347 -21.331 173 HD21 ASN 33 HD21 ASN 33 -20.701 -11.590 -20.251 174 HD22 ASN 33 HD22 ASN 33 -21.884 -10.454 -20.793 Start of MODEL 13 1 H1 GLU 1 H GLU 1 1.333 1.240 -0.320 2 HA GLU 1 HA GLU 1 2.823 -0.316 -1.912 3 HB2 GLU 1 HB2 GLU 1 1.990 -0.863 0.411 4 HB3 GLU 1 HB3 GLU 1 0.522 -1.473 -0.338 5 HG2 GLU 1 HG2 GLU 1 1.603 -3.274 -1.303 6 HG3 GLU 1 HG3 GLU 1 3.187 -2.510 -1.195 7 H ASP 2 H ASP 2 1.290 0.913 -3.795 8 HA ASP 2 HA ASP 2 -0.590 -1.064 -4.834 9 HB2 ASP 2 HB2 ASP 2 -1.396 0.603 -6.271 10 HB3 ASP 2 HB3 ASP 2 -0.996 1.486 -4.800 11 H CYS 3 H CYS 3 -0.460 -1.703 -7.113 12 HA CYS 3 HA CYS 3 2.327 -2.208 -7.870 13 HB2 CYS 3 HB2 CYS 3 0.451 -4.032 -7.578 14 HB3 CYS 3 HB3 CYS 3 0.002 -3.537 -9.207 15 H GLY 4 H GLY 4 -0.746 -1.667 -9.613 16 HA2 GLY 4 HA2 GLY 4 0.362 0.512 -11.120 17 HA3 GLY 4 HA3 GLY 4 0.237 -0.965 -12.064 18 H SER 5 H SER 5 -1.199 0.460 -13.363 19 HA SER 5 HA SER 5 -3.666 1.395 -12.396 20 HB2 SER 5 HB2 SER 5 -4.339 1.386 -14.824 21 HB3 SER 5 HB3 SER 5 -2.830 2.234 -14.487 22 HG SER 5 HG SER 5 -3.186 0.313 -16.209 23 H ASP 6 H ASP 6 -4.774 -0.102 -11.197 24 HA ASP 6 HA ASP 6 -6.230 -1.800 -10.781 25 HB2 ASP 6 HB2 ASP 6 -6.398 -2.231 -13.763 26 HB3 ASP 6 HB3 ASP 6 -7.620 -2.586 -12.544 27 H CYS 7 H CYS 7 -3.334 -2.276 -11.111 28 HA CYS 7 HA CYS 7 -3.332 -5.087 -11.964 29 HB2 CYS 7 HB2 CYS 7 -0.845 -3.561 -11.276 30 HB3 CYS 7 HB3 CYS 7 -1.049 -4.908 -12.390 31 H MET 8 H MET 8 -2.063 -6.613 -10.654 32 HA MET 8 HA MET 8 -2.006 -5.904 -7.800 33 HB2 MET 8 HB2 MET 8 -3.084 -8.468 -8.986 34 HB3 MET 8 HB3 MET 8 -2.864 -8.166 -7.268 35 HG2 MET 8 HG2 MET 8 -4.382 -6.064 -7.846 36 HG3 MET 8 HG3 MET 8 -4.921 -7.144 -9.130 37 HE1 MET 8 HE1 MET 8 -7.564 -6.691 -6.944 38 HE2 MET 8 HE2 MET 8 -6.747 -6.659 -5.382 39 HE3 MET 8 HE3 MET 8 -6.149 -5.664 -6.711 40 HA PRO 9 HA PRO 9 2.020 -7.654 -7.726 41 HB2 PRO 9 HB2 PRO 9 2.134 -8.578 -5.176 42 HB3 PRO 9 HB3 PRO 9 2.192 -6.858 -5.578 43 HG2 PRO 9 HG2 PRO 9 -0.123 -8.507 -4.641 44 HG3 PRO 9 HG3 PRO 9 0.364 -6.877 -4.141 45 HD2 PRO 9 HD2 PRO 9 -1.639 -7.321 -5.909 46 HD3 PRO 9 HD3 PRO 9 -0.594 -5.888 -5.989 47 H CYS 10 H CYS 10 2.827 -9.502 -8.490 48 HA CYS 10 HA CYS 10 1.609 -12.044 -7.653 49 HB2 CYS 10 HB2 CYS 10 2.488 -11.513 -10.490 50 HB3 CYS 10 HB3 CYS 10 1.567 -12.884 -9.881 51 H GLY 11 H GLY 11 3.624 -11.668 -6.240 52 HA2 GLY 11 HA2 GLY 11 5.769 -12.270 -5.682 53 HA3 GLY 11 HA3 GLY 11 5.565 -13.540 -6.879 54 H GLY 12 H GLY 12 6.562 -10.179 -6.431 55 HA2 GLY 12 HA2 GLY 12 8.162 -8.935 -7.511 56 HA3 GLY 12 HA3 GLY 12 8.813 -10.452 -8.113 57 H GLU 13 H GLU 13 5.542 -9.981 -8.885 58 HA GLU 13 HA GLU 13 6.228 -8.845 -11.508 59 HB2 GLU 13 HB2 GLU 13 4.360 -11.183 -11.083 60 HB3 GLU 13 HB3 GLU 13 4.783 -10.449 -12.624 61 HG2 GLU 13 HG2 GLU 13 6.973 -11.284 -12.547 62 HG3 GLU 13 HG3 GLU 13 6.848 -11.682 -10.835 63 H CYS 14 H CYS 14 4.099 -8.328 -12.739 64 HA CYS 14 HA CYS 14 1.998 -7.407 -10.924 65 HB2 CYS 14 HB2 CYS 14 3.864 -5.625 -11.536 66 HB3 CYS 14 HB3 CYS 14 2.926 -5.494 -13.020 67 H CYS 15 H CYS 15 0.116 -8.073 -11.693 68 HA CYS 15 HA CYS 15 -0.154 -8.510 -14.590 69 HB2 CYS 15 HB2 CYS 15 -0.486 -10.413 -12.854 70 HB3 CYS 15 HB3 CYS 15 -2.029 -9.631 -12.526 71 H CYS 16 H CYS 16 -1.189 -6.939 -15.614 72 HA CYS 16 HA CYS 16 -3.247 -5.413 -14.179 73 HB2 CYS 16 HB2 CYS 16 -1.952 -4.690 -16.809 74 HB3 CYS 16 HB3 CYS 16 -2.895 -3.645 -15.752 75 H GLU 17 H GLU 17 -5.228 -4.883 -15.260 76 HA GLU 17 HA GLU 17 -6.512 -7.056 -16.439 77 HB2 GLU 17 HB2 GLU 17 -7.151 -4.219 -15.955 78 HB3 GLU 17 HB3 GLU 17 -8.051 -4.970 -17.265 79 HG2 GLU 17 HG2 GLU 17 -8.105 -6.794 -15.136 80 HG3 GLU 17 HG3 GLU 17 -8.420 -5.206 -14.438 81 HA PRO 18 HA PRO 18 -8.556 -6.890 -17.861 82 HB2 PRO 18 HB2 PRO 18 -9.032 -8.879 -19.646 83 HB3 PRO 18 HB3 PRO 18 -9.439 -7.188 -19.961 84 HG2 PRO 18 HG2 PRO 18 -7.066 -8.768 -20.876 85 HG3 PRO 18 HG3 PRO 18 -8.067 -7.622 -21.788 86 HD2 PRO 18 HD2 PRO 18 -5.656 -6.950 -20.756 87 HD3 PRO 18 HD3 PRO 18 -6.987 -5.785 -20.909 88 H ASN 19 H ASN 19 -5.544 -8.403 -18.369 89 HA ASN 19 HA ASN 19 -5.941 -11.024 -17.598 90 HB2 ASN 19 HB2 ASN 19 -3.580 -9.434 -16.617 91 HB3 ASN 19 HB3 ASN 19 -3.637 -11.123 -17.113 92 HD21 ASN 19 HD21 ASN 19 -2.375 -8.343 -17.978 93 HD22 ASN 19 HD22 ASN 19 -2.410 -8.472 -19.701 94 H SER 20 H SER 20 -5.090 -11.941 -15.433 95 HA SER 20 HA SER 20 -5.972 -10.332 -13.152 96 HB2 SER 20 HB2 SER 20 -7.175 -12.915 -14.072 97 HB3 SER 20 HB3 SER 20 -7.095 -12.574 -12.343 98 HG SER 20 HG SER 20 -8.610 -11.128 -12.564 99 H CYS 21 H CYS 21 -5.089 -10.952 -11.156 100 HA CYS 21 HA CYS 21 -2.665 -12.576 -11.406 101 HB2 CYS 21 HB2 CYS 21 -2.503 -10.247 -10.516 102 HB3 CYS 21 HB3 CYS 21 -3.491 -10.744 -9.146 103 H ILE 22 H ILE 22 -3.453 -14.657 -11.230 104 HA ILE 22 HA ILE 22 -4.476 -15.374 -8.567 105 HB ILE 22 HB ILE 22 -5.383 -16.785 -11.066 106 HG12 ILE 22 HG12 ILE 22 -6.074 -14.379 -11.099 107 HG13 ILE 22 HG13 ILE 22 -7.425 -15.505 -11.024 108 HG21 ILE 22 HG21 ILE 22 -7.316 -17.084 -9.172 109 HG22 ILE 22 HG22 ILE 22 -6.016 -18.234 -9.477 110 HG23 ILE 22 HG23 ILE 22 -5.854 -17.042 -8.187 111 HD11 ILE 22 HD11 ILE 22 -8.019 -14.864 -8.930 112 HD12 ILE 22 HD12 ILE 22 -6.369 -14.443 -8.469 113 HD13 ILE 22 HD13 ILE 22 -7.301 -13.358 -9.501 114 H ASP 23 H ASP 23 -3.988 -17.536 -7.884 115 HA ASP 23 HA ASP 23 -2.534 -19.247 -7.511 116 HB2 ASP 23 HB2 ASP 23 -3.617 -19.877 -9.762 117 HB3 ASP 23 HB3 ASP 23 -2.093 -19.371 -10.486 118 H GLY 24 H GLY 24 -1.519 -16.429 -7.861 119 HA2 GLY 24 HA2 GLY 24 0.546 -15.450 -7.541 120 HA3 GLY 24 HA3 GLY 24 1.260 -17.055 -7.584 121 H THR 25 H THR 25 -0.621 -16.652 -10.296 122 HA THR 25 HA THR 25 1.666 -15.665 -11.873 123 HB THR 25 HB THR 25 1.328 -18.141 -12.091 124 HG1 THR 25 HG1 THR 25 2.258 -16.868 -13.792 125 HG21 THR 25 HG21 THR 25 -1.228 -17.328 -13.483 126 HG22 THR 25 HG22 THR 25 -1.135 -18.128 -11.913 127 HG23 THR 25 HG23 THR 25 -0.574 -18.961 -13.362 128 H CYS 26 H CYS 26 0.933 -15.040 -14.158 129 HA CYS 26 HA CYS 26 -1.328 -13.228 -13.867 130 HB2 CYS 26 HB2 CYS 26 0.996 -12.622 -14.840 131 HB3 CYS 26 HB3 CYS 26 0.428 -13.426 -16.300 132 H HIS 27 H HIS 27 -3.207 -14.307 -14.158 133 HA HIS 27 HA HIS 27 -3.517 -16.304 -16.209 134 HB2 HIS 27 HB2 HIS 27 -5.427 -15.036 -14.249 135 HB3 HIS 27 HB3 HIS 27 -5.954 -16.199 -15.462 136 HD1 HIS 27 HD1 HIS 27 -6.185 -18.440 -14.475 137 HD2 HIS 27 HD2 HIS 27 -3.039 -16.333 -12.766 138 HE1 HIS 27 HE1 HIS 27 -5.181 -19.995 -12.772 139 H HIS 28 H HIS 28 -3.305 -15.434 -18.219 140 HA HIS 28 HA HIS 28 -4.138 -12.961 -19.120 141 HB2 HIS 28 HB2 HIS 28 -4.079 -13.910 -21.377 142 HB3 HIS 28 HB3 HIS 28 -2.706 -14.471 -20.427 143 HD1 HIS 28 HD1 HIS 28 -3.200 -16.191 -22.719 144 HD2 HIS 28 HD2 HIS 28 -5.346 -16.680 -19.196 145 HE1 HIS 28 HE1 HIS 28 -4.063 -18.552 -22.780 146 H GLU 29 H GLU 29 -5.908 -12.579 -20.780 147 HA GLU 29 HA GLU 29 -8.345 -14.097 -20.263 148 HB2 GLU 29 HB2 GLU 29 -7.921 -11.215 -19.557 149 HB3 GLU 29 HB3 GLU 29 -9.517 -11.771 -20.043 150 HG2 GLU 29 HG2 GLU 29 -7.892 -12.750 -17.709 151 HG3 GLU 29 HG3 GLU 29 -9.366 -11.786 -17.652 152 H SER 30 H SER 30 -9.179 -14.577 -22.172 153 HA SER 30 HA SER 30 -8.837 -12.658 -24.383 154 HB2 SER 30 HB2 SER 30 -9.020 -14.628 -25.899 155 HB3 SER 30 HB3 SER 30 -7.621 -14.711 -24.828 156 HG SER 30 HG SER 30 -8.623 -16.692 -24.777 157 H SER 31 H SER 31 -10.906 -12.086 -22.826 158 HA SER 31 HA SER 31 -13.127 -12.210 -24.531 159 HB2 SER 31 HB2 SER 31 -14.534 -13.570 -22.723 160 HB3 SER 31 HB3 SER 31 -13.695 -14.384 -24.044 161 HG SER 31 HG SER 31 -12.301 -13.921 -21.664 162 HA PRO 32 HA PRO 32 -14.467 -8.922 -21.956 163 HB2 PRO 32 HB2 PRO 32 -17.170 -9.094 -22.144 164 HB3 PRO 32 HB3 PRO 32 -16.148 -8.542 -23.476 165 HG2 PRO 32 HG2 PRO 32 -17.359 -11.240 -23.009 166 HG3 PRO 32 HG3 PRO 32 -17.249 -10.308 -24.514 167 HD2 PRO 32 HD2 PRO 32 -15.559 -12.343 -23.933 168 HD3 PRO 32 HD3 PRO 32 -15.061 -10.931 -24.886 169 H ASN 33 H ASN 33 -15.938 -12.067 -21.328 170 HA ASN 33 HA ASN 33 -16.550 -13.114 -19.404 171 HB2 ASN 33 HB2 ASN 33 -14.229 -12.223 -18.745 172 HB3 ASN 33 HB3 ASN 33 -15.098 -10.973 -17.860 173 HD21 ASN 33 HD21 ASN 33 -14.842 -11.483 -15.796 174 HD22 ASN 33 HD22 ASN 33 -15.204 -13.018 -15.090 Start of MODEL 14 1 H1 GLU 1 H GLU 1 1.584 2.694 -1.449 2 HA GLU 1 HA GLU 1 1.643 3.181 -4.257 3 HB2 GLU 1 HB2 GLU 1 4.003 2.354 -4.081 4 HB3 GLU 1 HB3 GLU 1 3.610 3.675 -2.990 5 HG2 GLU 1 HG2 GLU 1 3.760 2.372 -1.125 6 HG3 GLU 1 HG3 GLU 1 3.330 0.895 -1.986 7 H ASP 2 H ASP 2 -0.161 1.562 -4.618 8 HA ASP 2 HA ASP 2 0.303 -1.211 -4.443 9 HB2 ASP 2 HB2 ASP 2 -1.491 0.247 -6.395 10 HB3 ASP 2 HB3 ASP 2 -1.603 -1.451 -5.942 11 H CYS 3 H CYS 3 0.132 -2.553 -6.612 12 HA CYS 3 HA CYS 3 2.628 -2.300 -7.896 13 HB2 CYS 3 HB2 CYS 3 1.108 -4.386 -7.584 14 HB3 CYS 3 HB3 CYS 3 0.343 -3.852 -9.077 15 H GLY 4 H GLY 4 -0.606 -2.100 -9.402 16 HA2 GLY 4 HA2 GLY 4 0.181 0.257 -10.892 17 HA3 GLY 4 HA3 GLY 4 -0.013 -1.191 -11.867 18 H SER 5 H SER 5 -1.676 0.140 -12.930 19 HA SER 5 HA SER 5 -4.015 0.986 -11.622 20 HB2 SER 5 HB2 SER 5 -3.671 0.155 -14.514 21 HB3 SER 5 HB3 SER 5 -5.009 1.104 -13.866 22 HG SER 5 HG SER 5 -3.790 2.766 -14.220 23 H ASP 6 H ASP 6 -4.876 -0.557 -10.281 24 HA ASP 6 HA ASP 6 -6.197 -2.307 -9.674 25 HB2 ASP 6 HB2 ASP 6 -7.075 -1.564 -12.260 26 HB3 ASP 6 HB3 ASP 6 -7.032 -3.324 -12.224 27 H CYS 7 H CYS 7 -3.356 -2.664 -10.456 28 HA CYS 7 HA CYS 7 -3.373 -5.478 -11.294 29 HB2 CYS 7 HB2 CYS 7 -0.867 -3.867 -10.975 30 HB3 CYS 7 HB3 CYS 7 -1.195 -5.212 -12.063 31 H MET 8 H MET 8 -1.770 -6.911 -10.205 32 HA MET 8 HA MET 8 -1.358 -6.204 -7.383 33 HB2 MET 8 HB2 MET 8 -2.564 -8.758 -8.449 34 HB3 MET 8 HB3 MET 8 -1.965 -8.581 -6.805 35 HG2 MET 8 HG2 MET 8 -3.582 -6.522 -6.769 36 HG3 MET 8 HG3 MET 8 -4.365 -7.385 -8.090 37 HE1 MET 8 HE1 MET 8 -6.310 -9.468 -7.383 38 HE2 MET 8 HE2 MET 8 -6.961 -8.686 -5.943 39 HE3 MET 8 HE3 MET 8 -6.409 -7.708 -7.304 40 HA PRO 9 HA PRO 9 2.709 -7.775 -7.892 41 HB2 PRO 9 HB2 PRO 9 3.218 -8.743 -5.407 42 HB3 PRO 9 HB3 PRO 9 3.141 -7.015 -5.767 43 HG2 PRO 9 HG2 PRO 9 1.055 -8.793 -4.565 44 HG3 PRO 9 HG3 PRO 9 1.533 -7.152 -4.094 45 HD2 PRO 9 HD2 PRO 9 -0.673 -7.657 -5.580 46 HD3 PRO 9 HD3 PRO 9 0.284 -6.173 -5.765 47 H CYS 10 H CYS 10 3.206 -9.530 -9.037 48 HA CYS 10 HA CYS 10 2.323 -12.157 -8.036 49 HB2 CYS 10 HB2 CYS 10 1.991 -10.922 -10.658 50 HB3 CYS 10 HB3 CYS 10 2.769 -12.499 -10.751 51 H GLY 11 H GLY 11 4.342 -12.268 -6.884 52 HA2 GLY 11 HA2 GLY 11 6.549 -12.858 -6.627 53 HA3 GLY 11 HA3 GLY 11 6.298 -13.795 -8.093 54 H GLY 12 H GLY 12 6.790 -10.389 -7.139 55 HA2 GLY 12 HA2 GLY 12 8.303 -8.840 -7.927 56 HA3 GLY 12 HA3 GLY 12 9.131 -10.150 -8.756 57 H GLU 13 H GLU 13 5.850 -10.058 -9.525 58 HA GLU 13 HA GLU 13 6.429 -8.565 -11.999 59 HB2 GLU 13 HB2 GLU 13 4.411 -10.791 -11.742 60 HB3 GLU 13 HB3 GLU 13 5.003 -10.040 -13.217 61 HG2 GLU 13 HG2 GLU 13 7.169 -11.028 -12.918 62 HG3 GLU 13 HG3 GLU 13 6.706 -11.660 -11.339 63 H CYS 14 H CYS 14 3.931 -8.360 -13.051 64 HA CYS 14 HA CYS 14 2.146 -7.256 -11.040 65 HB2 CYS 14 HB2 CYS 14 3.908 -5.503 -11.949 66 HB3 CYS 14 HB3 CYS 14 2.806 -5.441 -13.320 67 H CYS 15 H CYS 15 0.316 -8.264 -11.540 68 HA CYS 15 HA CYS 15 -0.370 -8.689 -14.359 69 HB2 CYS 15 HB2 CYS 15 -0.404 -10.526 -12.488 70 HB3 CYS 15 HB3 CYS 15 -1.958 -9.808 -12.076 71 H CYS 16 H CYS 16 -1.630 -7.229 -15.286 72 HA CYS 16 HA CYS 16 -3.557 -5.755 -13.619 73 HB2 CYS 16 HB2 CYS 16 -2.559 -4.959 -16.356 74 HB3 CYS 16 HB3 CYS 16 -3.442 -3.964 -15.203 75 H GLU 17 H GLU 17 -5.669 -5.364 -14.434 76 HA GLU 17 HA GLU 17 -6.971 -7.560 -15.504 77 HB2 GLU 17 HB2 GLU 17 -8.815 -5.842 -16.052 78 HB3 GLU 17 HB3 GLU 17 -8.339 -6.044 -14.372 79 HG2 GLU 17 HG2 GLU 17 -7.242 -4.011 -14.298 80 HG3 GLU 17 HG3 GLU 17 -7.059 -3.932 -16.050 81 HA PRO 18 HA PRO 18 -9.099 -7.591 -16.724 82 HB2 PRO 18 HB2 PRO 18 -9.575 -9.648 -18.431 83 HB3 PRO 18 HB3 PRO 18 -10.145 -8.002 -18.728 84 HG2 PRO 18 HG2 PRO 18 -7.747 -9.406 -19.842 85 HG3 PRO 18 HG3 PRO 18 -8.918 -8.363 -20.670 86 HD2 PRO 18 HD2 PRO 18 -6.484 -7.479 -19.879 87 HD3 PRO 18 HD3 PRO 18 -7.915 -6.428 -19.921 88 H ASN 19 H ASN 19 -6.040 -8.886 -17.516 89 HA ASN 19 HA ASN 19 -6.160 -11.508 -16.658 90 HB2 ASN 19 HB2 ASN 19 -3.835 -9.720 -15.976 91 HB3 ASN 19 HB3 ASN 19 -3.814 -11.426 -16.410 92 HD21 ASN 19 HD21 ASN 19 -2.847 -8.613 -17.493 93 HD22 ASN 19 HD22 ASN 19 -3.060 -8.807 -19.197 94 H SER 20 H SER 20 -5.025 -12.306 -14.579 95 HA SER 20 HA SER 20 -5.739 -10.697 -12.245 96 HB2 SER 20 HB2 SER 20 -6.930 -13.345 -12.980 97 HB3 SER 20 HB3 SER 20 -6.685 -12.954 -11.278 98 HG SER 20 HG SER 20 -8.588 -12.055 -11.568 99 H CYS 21 H CYS 21 -4.625 -11.251 -10.345 100 HA CYS 21 HA CYS 21 -2.185 -12.796 -10.833 101 HB2 CYS 21 HB2 CYS 21 -2.003 -10.442 -10.017 102 HB3 CYS 21 HB3 CYS 21 -2.817 -10.934 -8.536 103 H ILE 22 H ILE 22 -2.891 -14.895 -10.530 104 HA ILE 22 HA ILE 22 -3.596 -15.574 -7.755 105 HB ILE 22 HB ILE 22 -4.688 -17.087 -10.117 106 HG12 ILE 22 HG12 ILE 22 -5.480 -14.711 -10.124 107 HG13 ILE 22 HG13 ILE 22 -6.767 -15.891 -9.898 108 HG21 ILE 22 HG21 ILE 22 -5.056 -18.519 -8.423 109 HG22 ILE 22 HG22 ILE 22 -4.883 -17.268 -7.193 110 HG23 ILE 22 HG23 ILE 22 -6.409 -17.447 -8.058 111 HD11 ILE 22 HD11 ILE 22 -6.634 -13.724 -8.436 112 HD12 ILE 22 HD12 ILE 22 -7.148 -15.260 -7.739 113 HD13 ILE 22 HD13 ILE 22 -5.497 -14.689 -7.496 114 H ASP 23 H ASP 23 -2.949 -17.691 -7.066 115 HA ASP 23 HA ASP 23 -1.397 -19.334 -6.798 116 HB2 ASP 23 HB2 ASP 23 -2.669 -20.061 -8.924 117 HB3 ASP 23 HB3 ASP 23 -1.233 -19.531 -9.796 118 H GLY 24 H GLY 24 -0.546 -16.484 -7.336 119 HA2 GLY 24 HA2 GLY 24 1.504 -15.425 -7.225 120 HA3 GLY 24 HA3 GLY 24 2.275 -17.001 -7.329 121 H THR 25 H THR 25 0.130 -16.777 -9.835 122 HA THR 25 HA THR 25 2.182 -15.693 -11.653 123 HB THR 25 HB THR 25 1.939 -18.186 -11.800 124 HG1 THR 25 HG1 THR 25 2.709 -17.187 -13.622 125 HG21 THR 25 HG21 THR 25 -0.776 -17.522 -12.944 126 HG22 THR 25 HG22 THR 25 -0.496 -18.268 -11.371 127 HG23 THR 25 HG23 THR 25 -0.039 -19.121 -12.845 128 H CYS 26 H CYS 26 1.193 -15.137 -13.854 129 HA CYS 26 HA CYS 26 -1.116 -13.434 -13.354 130 HB2 CYS 26 HB2 CYS 26 1.050 -12.704 -14.549 131 HB3 CYS 26 HB3 CYS 26 0.424 -13.588 -15.936 132 H HIS 27 H HIS 27 -2.958 -14.608 -13.445 133 HA HIS 27 HA HIS 27 -3.370 -16.649 -15.433 134 HB2 HIS 27 HB2 HIS 27 -5.150 -15.438 -13.319 135 HB3 HIS 27 HB3 HIS 27 -5.719 -16.660 -14.451 136 HD1 HIS 27 HD1 HIS 27 -5.739 -18.876 -13.381 137 HD2 HIS 27 HD2 HIS 27 -2.549 -16.566 -12.058 138 HE1 HIS 27 HE1 HIS 27 -4.488 -20.327 -11.752 139 H HIS 28 H HIS 28 -3.447 -15.854 -17.472 140 HA HIS 28 HA HIS 28 -4.444 -13.427 -18.333 141 HB2 HIS 28 HB2 HIS 28 -4.618 -14.438 -20.557 142 HB3 HIS 28 HB3 HIS 28 -3.130 -14.937 -19.758 143 HD1 HIS 28 HD1 HIS 28 -3.836 -16.734 -21.932 144 HD2 HIS 28 HD2 HIS 28 -5.549 -17.175 -18.173 145 HE1 HIS 28 HE1 HIS 28 -4.634 -19.117 -21.832 146 H GLU 29 H GLU 29 -6.402 -13.137 -19.788 147 HA GLU 29 HA GLU 29 -8.719 -14.714 -18.999 148 HB2 GLU 29 HB2 GLU 29 -8.335 -11.812 -18.323 149 HB3 GLU 29 HB3 GLU 29 -9.946 -12.471 -18.566 150 HG2 GLU 29 HG2 GLU 29 -9.077 -14.275 -16.842 151 HG3 GLU 29 HG3 GLU 29 -8.005 -12.955 -16.378 152 H SER 30 H SER 30 -10.686 -14.056 -20.231 153 HA SER 30 HA SER 30 -10.301 -12.486 -22.617 154 HB2 SER 30 HB2 SER 30 -10.769 -14.319 -24.193 155 HB3 SER 30 HB3 SER 30 -9.275 -14.611 -23.302 156 HG SER 30 HG SER 30 -11.646 -16.006 -23.280 157 H SER 31 H SER 31 -12.292 -12.391 -23.940 158 HA SER 31 HA SER 31 -14.732 -13.323 -22.673 159 HB2 SER 31 HB2 SER 31 -15.509 -11.347 -21.891 160 HB3 SER 31 HB3 SER 31 -13.817 -10.851 -21.924 161 HG SER 31 HG SER 31 -14.151 -9.850 -23.865 162 HA PRO 32 HA PRO 32 -16.263 -13.467 -26.780 163 HB2 PRO 32 HB2 PRO 32 -18.881 -12.826 -26.454 164 HB3 PRO 32 HB3 PRO 32 -18.196 -14.368 -25.927 165 HG2 PRO 32 HG2 PRO 32 -18.789 -11.912 -24.322 166 HG3 PRO 32 HG3 PRO 32 -19.087 -13.613 -23.917 167 HD2 PRO 32 HD2 PRO 32 -16.974 -12.231 -22.937 168 HD3 PRO 32 HD3 PRO 32 -16.904 -13.973 -23.272 169 H ASN 33 H ASN 33 -17.450 -10.590 -25.040 170 HA ASN 33 HA ASN 33 -17.665 -8.413 -25.658 171 HB2 ASN 33 HB2 ASN 33 -15.198 -8.995 -26.375 172 HB3 ASN 33 HB3 ASN 33 -15.850 -8.828 -28.002 173 HD21 ASN 33 HD21 ASN 33 -13.883 -7.208 -26.569 174 HD22 ASN 33 HD22 ASN 33 -14.501 -5.595 -26.580 Start of MODEL 15 1 H1 GLU 1 H GLU 1 1.794 -3.909 -1.294 2 HA GLU 1 HA GLU 1 1.062 -1.136 -0.850 3 HB2 GLU 1 HB2 GLU 1 3.028 -0.217 -1.939 4 HB3 GLU 1 HB3 GLU 1 3.508 -1.153 -0.530 5 HG2 GLU 1 HG2 GLU 1 4.336 -2.910 -1.840 6 HG3 GLU 1 HG3 GLU 1 3.516 -2.328 -3.287 7 H ASP 2 H ASP 2 0.783 0.045 -2.917 8 HA ASP 2 HA ASP 2 -0.705 -1.518 -4.755 9 HB2 ASP 2 HB2 ASP 2 0.203 1.352 -4.727 10 HB3 ASP 2 HB3 ASP 2 -0.657 0.678 -6.109 11 H CYS 3 H CYS 3 -0.301 -1.944 -6.956 12 HA CYS 3 HA CYS 3 2.560 -2.141 -7.596 13 HB2 CYS 3 HB2 CYS 3 1.004 -4.202 -7.520 14 HB3 CYS 3 HB3 CYS 3 0.361 -3.598 -9.044 15 H GLY 4 H GLY 4 -0.444 -1.877 -9.509 16 HA2 GLY 4 HA2 GLY 4 0.582 0.511 -10.822 17 HA3 GLY 4 HA3 GLY 4 0.405 -0.908 -11.843 18 H SER 5 H SER 5 -1.070 0.568 -13.014 19 HA SER 5 HA SER 5 -3.480 1.496 -11.911 20 HB2 SER 5 HB2 SER 5 -2.882 2.459 -13.969 21 HB3 SER 5 HB3 SER 5 -2.594 0.891 -14.723 22 HG SER 5 HG SER 5 -4.776 2.305 -14.856 23 H ASP 6 H ASP 6 -4.554 -0.028 -10.714 24 HA ASP 6 HA ASP 6 -6.017 -1.719 -10.294 25 HB2 ASP 6 HB2 ASP 6 -6.333 -2.111 -13.262 26 HB3 ASP 6 HB3 ASP 6 -7.519 -2.379 -11.988 27 H CYS 7 H CYS 7 -3.190 -2.259 -10.607 28 HA CYS 7 HA CYS 7 -3.258 -5.038 -11.578 29 HB2 CYS 7 HB2 CYS 7 -0.707 -3.572 -11.012 30 HB3 CYS 7 HB3 CYS 7 -1.008 -4.887 -12.144 31 H MET 8 H MET 8 -1.864 -6.575 -10.367 32 HA MET 8 HA MET 8 -1.654 -5.912 -7.512 33 HB2 MET 8 HB2 MET 8 -2.931 -8.372 -8.709 34 HB3 MET 8 HB3 MET 8 -2.462 -8.250 -7.018 35 HG2 MET 8 HG2 MET 8 -3.936 -6.070 -7.123 36 HG3 MET 8 HG3 MET 8 -4.676 -6.919 -8.478 37 HE1 MET 8 HE1 MET 8 -5.639 -6.145 -5.035 38 HE2 MET 8 HE2 MET 8 -5.307 -7.587 -4.076 39 HE3 MET 8 HE3 MET 8 -3.975 -6.680 -4.795 40 HA PRO 9 HA PRO 9 2.329 -7.747 -7.684 41 HB2 PRO 9 HB2 PRO 9 2.555 -8.760 -5.175 42 HB3 PRO 9 HB3 PRO 9 2.624 -7.028 -5.522 43 HG2 PRO 9 HG2 PRO 9 0.328 -8.670 -4.524 44 HG3 PRO 9 HG3 PRO 9 0.870 -7.066 -3.995 45 HD2 PRO 9 HD2 PRO 9 -1.227 -7.416 -5.673 46 HD3 PRO 9 HD3 PRO 9 -0.162 -5.998 -5.758 47 H CYS 10 H CYS 10 2.825 -9.528 -8.786 48 HA CYS 10 HA CYS 10 1.692 -12.097 -7.891 49 HB2 CYS 10 HB2 CYS 10 1.620 -10.828 -10.512 50 HB3 CYS 10 HB3 CYS 10 2.332 -12.437 -10.575 51 H GLY 11 H GLY 11 3.598 -12.361 -6.593 52 HA2 GLY 11 HA2 GLY 11 5.733 -13.099 -6.174 53 HA3 GLY 11 HA3 GLY 11 5.548 -13.987 -7.679 54 H GLY 12 H GLY 12 6.151 -10.632 -6.615 55 HA2 GLY 12 HA2 GLY 12 7.812 -9.161 -7.240 56 HA3 GLY 12 HA3 GLY 12 8.638 -10.506 -8.012 57 H GLU 13 H GLU 13 5.453 -10.228 -9.075 58 HA GLU 13 HA GLU 13 6.339 -8.748 -11.466 59 HB2 GLU 13 HB2 GLU 13 4.166 -10.839 -11.414 60 HB3 GLU 13 HB3 GLU 13 4.936 -10.120 -12.822 61 HG2 GLU 13 HG2 GLU 13 7.019 -11.231 -12.288 62 HG3 GLU 13 HG3 GLU 13 6.307 -11.902 -10.822 63 H CYS 14 H CYS 14 3.962 -8.373 -12.729 64 HA CYS 14 HA CYS 14 2.082 -7.169 -10.869 65 HB2 CYS 14 HB2 CYS 14 4.021 -5.525 -11.587 66 HB3 CYS 14 HB3 CYS 14 3.067 -5.389 -13.060 67 H CYS 15 H CYS 15 0.239 -8.046 -11.539 68 HA CYS 15 HA CYS 15 -0.222 -8.404 -14.412 69 HB2 CYS 15 HB2 CYS 15 -0.531 -10.256 -12.582 70 HB3 CYS 15 HB3 CYS 15 -2.067 -9.445 -12.291 71 H CYS 16 H CYS 16 -1.294 -6.848 -15.416 72 HA CYS 16 HA CYS 16 -3.264 -5.274 -13.899 73 HB2 CYS 16 HB2 CYS 16 -1.992 -4.520 -16.533 74 HB3 CYS 16 HB3 CYS 16 -2.904 -3.480 -15.443 75 H GLU 17 H GLU 17 -5.272 -4.746 -14.878 76 HA GLU 17 HA GLU 17 -6.613 -6.845 -16.087 77 HB2 GLU 17 HB2 GLU 17 -8.296 -5.009 -16.758 78 HB3 GLU 17 HB3 GLU 17 -7.976 -5.261 -15.048 79 HG2 GLU 17 HG2 GLU 17 -6.821 -3.290 -14.829 80 HG3 GLU 17 HG3 GLU 17 -6.392 -3.227 -16.537 81 HA PRO 18 HA PRO 18 -8.632 -6.727 -17.478 82 HB2 PRO 18 HB2 PRO 18 -9.092 -8.730 -19.251 83 HB3 PRO 18 HB3 PRO 18 -9.532 -7.048 -19.568 84 HG2 PRO 18 HG2 PRO 18 -7.143 -8.589 -20.504 85 HG3 PRO 18 HG3 PRO 18 -8.173 -7.464 -21.408 86 HD2 PRO 18 HD2 PRO 18 -5.762 -6.747 -20.405 87 HD3 PRO 18 HD3 PRO 18 -7.116 -5.606 -20.547 88 H ASN 19 H ASN 19 -5.605 -8.206 -18.038 89 HA ASN 19 HA ASN 19 -5.958 -10.824 -17.237 90 HB2 ASN 19 HB2 ASN 19 -3.593 -9.193 -16.331 91 HB3 ASN 19 HB3 ASN 19 -3.641 -10.892 -16.790 92 HD21 ASN 19 HD21 ASN 19 -2.410 -8.137 -17.741 93 HD22 ASN 19 HD22 ASN 19 -2.490 -8.296 -19.460 94 H SER 20 H SER 20 -5.062 -11.721 -15.086 95 HA SER 20 HA SER 20 -5.868 -10.098 -12.791 96 HB2 SER 20 HB2 SER 20 -7.156 -12.654 -13.674 97 HB3 SER 20 HB3 SER 20 -7.030 -12.305 -11.950 98 HG SER 20 HG SER 20 -8.431 -10.713 -12.151 99 H CYS 21 H CYS 21 -4.963 -10.751 -10.812 100 HA CYS 21 HA CYS 21 -2.587 -12.437 -11.121 101 HB2 CYS 21 HB2 CYS 21 -2.308 -10.124 -10.250 102 HB3 CYS 21 HB3 CYS 21 -3.310 -10.553 -8.868 103 H ILE 22 H ILE 22 -3.441 -14.493 -10.921 104 HA ILE 22 HA ILE 22 -4.424 -15.168 -8.231 105 HB ILE 22 HB ILE 22 -5.400 -16.571 -10.709 106 HG12 ILE 22 HG12 ILE 22 -6.043 -14.148 -10.725 107 HG13 ILE 22 HG13 ILE 22 -7.412 -15.251 -10.640 108 HG21 ILE 22 HG21 ILE 22 -5.819 -17.977 -8.943 109 HG22 ILE 22 HG22 ILE 22 -6.035 -16.653 -7.799 110 HG23 ILE 22 HG23 ILE 22 -7.303 -17.025 -8.967 111 HD11 ILE 22 HD11 ILE 22 -7.342 -13.145 -9.132 112 HD12 ILE 22 HD12 ILE 22 -7.903 -14.680 -8.467 113 HD13 ILE 22 HD13 ILE 22 -6.264 -14.120 -8.132 114 H ASP 23 H ASP 23 -3.966 -17.327 -7.531 115 HA ASP 23 HA ASP 23 -2.546 -19.069 -7.166 116 HB2 ASP 23 HB2 ASP 23 -3.649 -19.541 -9.539 117 HB3 ASP 23 HB3 ASP 23 -1.986 -19.341 -10.083 118 H GLY 24 H GLY 24 -1.478 -16.271 -7.577 119 HA2 GLY 24 HA2 GLY 24 0.616 -15.344 -7.276 120 HA3 GLY 24 HA3 GLY 24 1.294 -16.964 -7.344 121 H THR 25 H THR 25 -0.614 -16.573 -10.016 122 HA THR 25 HA THR 25 1.647 -15.596 -11.636 123 HB THR 25 HB THR 25 1.264 -18.066 -11.849 124 HG1 THR 25 HG1 THR 25 2.094 -16.623 -13.579 125 HG21 THR 25 HG21 THR 25 -1.298 -17.215 -13.203 126 HG22 THR 25 HG22 THR 25 -1.199 -18.000 -11.627 127 HG23 THR 25 HG23 THR 25 -0.673 -18.858 -13.075 128 H CYS 26 H CYS 26 0.890 -14.939 -13.896 129 HA CYS 26 HA CYS 26 -1.345 -13.104 -13.560 130 HB2 CYS 26 HB2 CYS 26 0.954 -12.494 -14.553 131 HB3 CYS 26 HB3 CYS 26 0.397 -13.318 -16.005 132 H HIS 27 H HIS 27 -3.242 -14.158 -13.828 133 HA HIS 27 HA HIS 27 -3.609 -16.140 -15.884 134 HB2 HIS 27 HB2 HIS 27 -5.481 -14.850 -13.900 135 HB3 HIS 27 HB3 HIS 27 -6.030 -16.013 -15.103 136 HD1 HIS 27 HD1 HIS 27 -6.277 -18.244 -14.095 137 HD2 HIS 27 HD2 HIS 27 -3.079 -16.165 -12.447 138 HE1 HIS 27 HE1 HIS 27 -5.265 -19.801 -12.400 139 H HIS 28 H HIS 28 -3.456 -15.306 -17.904 140 HA HIS 28 HA HIS 28 -4.251 -12.804 -18.784 141 HB2 HIS 28 HB2 HIS 28 -4.242 -13.751 -21.043 142 HB3 HIS 28 HB3 HIS 28 -2.860 -14.329 -20.117 143 HD1 HIS 28 HD1 HIS 28 -3.409 -16.043 -22.399 144 HD2 HIS 28 HD2 HIS 28 -5.510 -16.507 -18.845 145 HE1 HIS 28 HE1 HIS 28 -4.302 -18.394 -22.447 146 H GLU 29 H GLU 29 -6.041 -12.392 -20.412 147 HA GLU 29 HA GLU 29 -8.494 -13.869 -19.830 148 HB2 GLU 29 HB2 GLU 29 -8.036 -10.955 -19.261 149 HB3 GLU 29 HB3 GLU 29 -9.647 -11.559 -19.622 150 HG2 GLU 29 HG2 GLU 29 -9.003 -13.305 -17.736 151 HG3 GLU 29 HG3 GLU 29 -7.948 -11.986 -17.236 152 H SER 30 H SER 30 -9.398 -14.371 -21.702 153 HA SER 30 HA SER 30 -9.342 -12.406 -23.885 154 HB2 SER 30 HB2 SER 30 -8.709 -14.025 -25.507 155 HB3 SER 30 HB3 SER 30 -7.584 -14.234 -24.165 156 HG SER 30 HG SER 30 -9.541 -15.932 -25.120 157 H SER 31 H SER 31 -10.833 -13.334 -25.746 158 HA SER 31 HA SER 31 -12.953 -13.799 -26.429 159 HB2 SER 31 HB2 SER 31 -13.688 -15.855 -25.853 160 HB3 SER 31 HB3 SER 31 -12.218 -15.955 -24.883 161 HG SER 31 HG SER 31 -14.547 -16.232 -23.944 162 HA PRO 32 HA PRO 32 -15.695 -11.060 -24.376 163 HB2 PRO 32 HB2 PRO 32 -18.129 -12.076 -25.017 164 HB3 PRO 32 HB3 PRO 32 -17.094 -11.252 -26.188 165 HG2 PRO 32 HG2 PRO 32 -17.486 -14.186 -25.741 166 HG3 PRO 32 HG3 PRO 32 -17.385 -13.291 -27.268 167 HD2 PRO 32 HD2 PRO 32 -15.294 -14.681 -26.253 168 HD3 PRO 32 HD3 PRO 32 -15.082 -13.200 -27.208 169 H ASN 33 H ASN 33 -17.097 -10.791 -22.591 170 HA ASN 33 HA ASN 33 -17.140 -13.101 -20.781 171 HB2 ASN 33 HB2 ASN 33 -15.997 -10.990 -20.045 172 HB3 ASN 33 HB3 ASN 33 -17.564 -10.188 -20.089 173 HD21 ASN 33 HD21 ASN 33 -15.657 -12.662 -18.524 174 HD22 ASN 33 HD22 ASN 33 -16.605 -12.753 -17.083
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