NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3584 | 1dw5 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H CYS 1 HT2 CYS 1 10.440 2.767 -6.974 2 3H CYS 1 HT3 CYS 1 11.616 3.080 -5.789 3 HA CYS 1 HA CYS 1 9.410 1.850 -5.172 4 1HB CYS 1 HB2 CYS 1 9.553 3.130 -2.912 5 2HB CYS 1 HB1 CYS 1 10.970 2.232 -3.451 6 H LYS 2 HN LYS 2 7.373 2.485 -4.033 7 HA LYS 2 HA LYS 2 6.108 4.748 -5.472 8 1HB LYS 2 HB2 LYS 2 5.028 2.386 -3.929 9 2HB LYS 2 HB1 LYS 2 3.995 3.712 -4.462 10 1HG LYS 2 HG2 LYS 2 3.985 1.885 -6.113 11 2HG LYS 2 HG1 LYS 2 4.722 3.335 -6.794 12 1HD LYS 2 HD2 LYS 2 6.801 2.391 -6.900 13 2HD LYS 2 HD1 LYS 2 6.573 1.480 -5.407 14 1HE LYS 2 HE2 LYS 2 6.344 -0.322 -6.765 15 2HE LYS 2 HE1 LYS 2 4.726 0.308 -7.075 16 1HZ LYS 2 HZ1 LYS 2 6.061 1.751 -8.804 17 2HZ LYS 2 HZ2 LYS 2 5.501 0.195 -9.189 18 3HZ LYS 2 HZ3 LYS 2 7.123 0.431 -8.743 19 H GLY 3 HN GLY 3 4.601 6.144 -4.223 20 1HA GLY 3 HA2 GLY 3 5.718 6.719 -1.512 21 2HA GLY 3 HA1 GLY 3 4.943 7.917 -2.552 22 H LYS 4 HN LYS 4 4.082 7.465 0.118 23 HA LYS 4 HA LYS 4 2.043 5.674 0.614 24 1HB LYS 4 HB2 LYS 4 2.895 7.995 1.812 25 2HB LYS 4 HB1 LYS 4 1.257 8.415 1.319 26 1HG LYS 4 HG2 LYS 4 1.219 5.759 2.369 27 2HG LYS 4 HG1 LYS 4 2.067 6.791 3.519 28 1HD LYS 4 HD2 LYS 4 -0.120 8.321 2.656 29 2HD LYS 4 HD1 LYS 4 -0.766 6.697 2.892 30 1HE LYS 4 HE2 LYS 4 -0.441 6.755 5.148 31 2HE LYS 4 HE1 LYS 4 1.080 7.637 5.006 32 1HZ LYS 4 HZ1 LYS 4 -1.628 8.805 4.656 33 2HZ LYS 4 HZ2 LYS 4 -0.157 9.650 4.546 34 3HZ LYS 4 HZ3 LYS 4 -0.650 8.984 6.030 35 H GLY 5 HN GLY 5 -0.302 5.867 0.414 36 1HA GLY 5 HA2 GLY 5 -2.236 6.083 -0.896 37 2HA GLY 5 HA1 GLY 5 -1.650 7.700 -1.280 38 H ALA 6 HN ALA 6 0.588 5.273 -2.126 39 HA ALA 6 HA ALA 6 0.167 5.808 -4.961 40 1HB ALA 6 HB1 ALA 6 2.105 4.171 -5.200 41 2HB ALA 6 HB2 ALA 6 2.128 4.087 -3.439 42 3HB ALA 6 HB3 ALA 6 2.442 5.620 -4.252 43 H LYS 7 HN LYS 7 -1.746 4.089 -3.199 44 HA LYS 7 HA LYS 7 -3.094 2.232 -3.505 45 1HB LYS 7 HB2 LYS 7 -2.707 3.455 -6.014 46 2HB LYS 7 HB1 LYS 7 -2.560 1.714 -6.284 47 1HG LYS 7 HG2 LYS 7 -4.642 1.829 -4.525 48 2HG LYS 7 HG1 LYS 7 -4.900 3.289 -5.459 49 1HD LYS 7 HD2 LYS 7 -4.504 0.532 -6.652 50 2HD LYS 7 HD1 LYS 7 -6.060 1.344 -6.481 51 1HE LYS 7 HE2 LYS 7 -4.003 2.985 -7.799 52 2HE LYS 7 HE1 LYS 7 -4.435 1.529 -8.694 53 1HZ LYS 7 HZ1 LYS 7 -5.848 3.448 -9.236 54 2HZ LYS 7 HZ2 LYS 7 -6.388 3.494 -7.626 55 3HZ LYS 7 HZ3 LYS 7 -6.736 2.149 -8.603 56 H CYS 8 HN CYS 8 -3.046 -0.058 -3.808 57 HA CYS 8 HA CYS 8 -0.869 -1.536 -4.862 58 1HB CYS 8 HB2 CYS 8 0.419 -2.099 -2.921 59 2HB CYS 8 HB1 CYS 8 0.335 -0.344 -2.975 60 H SER 9 HN SER 9 -0.878 -3.478 -2.563 61 HA SER 9 HA SER 9 -3.733 -4.330 -2.620 62 1HB SER 9 HB2 SER 9 -2.034 -5.450 -4.357 63 2HB SER 9 HB1 SER 9 -1.627 -6.424 -2.946 64 HG SER 9 HG SER 9 -4.129 -6.095 -4.229 65 H ARG 10 HN ARG 10 -2.668 -6.950 -1.415 66 HA ARG 10 HA ARG 10 -2.216 -5.849 1.322 67 1HB ARG 10 HB2 ARG 10 -4.318 -7.049 1.197 68 2HB ARG 10 HB1 ARG 10 -3.537 -8.425 0.416 69 1HG ARG 10 HG2 ARG 10 -3.778 -9.018 2.725 70 2HG ARG 10 HG1 ARG 10 -2.076 -8.614 2.497 71 1HD ARG 10 HD2 ARG 10 -2.656 -6.253 3.247 72 2HD ARG 10 HD1 ARG 10 -4.234 -6.882 3.723 73 HE ARG 10 HE ARG 10 -2.458 -8.584 4.982 74 1HH1 ARG 10 HH21 ARG 10 -2.892 -5.164 4.771 75 2HH1 ARG 10 HH22 ARG 10 -2.287 -4.860 6.364 76 1HH2 ARG 10 HH11 ARG 10 -1.664 -8.196 7.060 77 2HH2 ARG 10 HH12 ARG 10 -1.595 -6.572 7.658 78 H LEU 11 HN LEU 11 -0.003 -5.891 1.476 79 HA LEU 11 HA LEU 11 2.020 -6.966 2.062 80 1HB LEU 11 HB2 LEU 11 0.273 -9.078 2.182 81 2HB LEU 11 HB1 LEU 11 1.363 -9.590 0.892 82 HG LEU 11 HG LEU 11 2.916 -8.422 2.999 83 1HD1 LEU 11 HD11 LEU 11 2.393 -10.100 4.779 84 2HD1 LEU 11 HD12 LEU 11 0.983 -10.603 3.847 85 3HD1 LEU 11 HD13 LEU 11 1.068 -8.968 4.501 86 1HD2 LEU 11 HD21 LEU 11 4.186 -10.360 2.701 87 2HD2 LEU 11 HD22 LEU 11 3.322 -10.288 1.167 88 3HD2 LEU 11 HD23 LEU 11 2.766 -11.371 2.442 89 H MET 12 HN MET 12 2.640 -5.523 0.241 90 HA MET 12 HA MET 12 3.490 -7.129 -2.136 91 1HB MET 12 HB2 MET 12 2.235 -4.409 -1.963 92 2HB MET 12 HB1 MET 12 3.399 -4.726 -3.249 93 1HG MET 12 HG2 MET 12 0.982 -6.463 -2.678 94 2HG MET 12 HG1 MET 12 1.033 -5.214 -3.922 95 1HE MET 12 HE1 MET 12 1.038 -8.156 -6.146 96 2HE MET 12 HE2 MET 12 0.080 -7.166 -5.048 97 3HE MET 12 HE3 MET 12 0.673 -8.738 -4.516 98 H TYR 13 HN TYR 13 4.177 -4.387 0.001 99 HA TYR 13 HA TYR 13 6.225 -3.569 0.780 100 1HB TYR 13 HB2 TYR 13 7.482 -5.874 -0.727 101 2HB TYR 13 HB1 TYR 13 8.192 -4.952 0.598 102 HD1 TYR 13 HD1 TYR 13 7.061 -8.048 0.048 103 HD2 TYR 13 HD2 TYR 13 6.062 -4.684 2.524 104 HE1 TYR 13 HE1 TYR 13 6.000 -9.572 1.692 105 HE2 TYR 13 HE2 TYR 13 5.002 -6.205 4.167 106 HH TYR 13 HH TYR 13 5.445 -8.937 4.693 107 H ASP 14 HN ASP 14 5.237 -2.207 -1.336 108 HA ASP 14 HA ASP 14 7.625 -1.808 -3.097 109 1HB ASP 14 HB2 ASP 14 5.286 -0.511 -4.160 110 2HB ASP 14 HB1 ASP 14 6.266 -1.777 -4.891 111 H CYS 15 HN CYS 15 5.361 -0.410 -0.876 112 HA CYS 15 HA CYS 15 5.587 2.341 -1.390 113 1HB CYS 15 HB2 CYS 15 5.677 1.079 1.361 114 2HB CYS 15 HB1 CYS 15 5.097 2.692 0.947 115 H CYS 16 HN CYS 16 7.221 3.684 -1.429 116 HA CYS 16 HA CYS 16 9.923 2.923 -1.096 117 1HB CYS 16 HB2 CYS 16 8.790 4.983 -2.260 118 2HB CYS 16 HB1 CYS 16 9.004 5.746 -0.690 119 H THR 17 HN THR 17 7.560 4.080 1.220 120 HA THR 17 HA THR 17 9.437 3.468 3.403 121 HB THR 17 HB THR 17 9.979 5.811 2.961 122 HG1 THR 17 HG1 THR 17 8.227 5.813 5.168 123 1HG2 THR 17 HG21 THR 17 8.392 7.499 2.704 124 2HG2 THR 17 HG22 THR 17 7.150 6.602 3.577 125 3HG2 THR 17 HG23 THR 17 7.580 6.138 1.931 126 H GLY 18 HN GLY 18 7.623 1.822 3.508 127 1HA GLY 18 HA2 GLY 18 5.994 1.932 5.644 128 2HA GLY 18 HA1 GLY 18 5.047 2.884 4.500 129 H SER 19 HN SER 19 3.488 1.017 4.911 130 HA SER 19 HA SER 19 4.085 -1.187 2.980 131 1HB SER 19 HB2 SER 19 2.374 -1.527 5.446 132 2HB SER 19 HB1 SER 19 3.042 -2.781 4.406 133 HG SER 19 HG SER 19 5.123 -2.119 5.110 134 H CYS 20 HN CYS 20 1.554 -2.377 3.020 135 HA CYS 20 HA CYS 20 0.051 -0.460 1.413 136 1HB CYS 20 HB2 CYS 20 -0.207 -3.358 2.108 137 2HB CYS 20 HB1 CYS 20 -1.639 -2.510 1.524 138 H ARG 21 HN ARG 21 -1.271 1.016 2.346 139 HA ARG 21 HA ARG 21 -2.672 0.252 4.868 140 1HB ARG 21 HB2 ARG 21 -1.108 2.132 5.135 141 2HB ARG 21 HB1 ARG 21 -1.930 3.005 3.842 142 1HG ARG 21 HG2 ARG 21 -4.056 2.451 5.388 143 2HG ARG 21 HG1 ARG 21 -2.807 2.479 6.631 144 1HD ARG 21 HD2 ARG 21 -2.297 4.697 4.953 145 2HD ARG 21 HD1 ARG 21 -4.032 4.701 5.266 146 HE ARG 21 HE ARG 21 -2.900 4.269 7.761 147 1HH1 ARG 21 HH21 ARG 21 -2.568 6.584 5.218 148 2HH1 ARG 21 HH22 ARG 21 -2.149 7.883 6.283 149 1HH2 ARG 21 HH11 ARG 21 -2.350 5.955 9.156 150 2HH2 ARG 21 HH12 ARG 21 -2.024 7.528 8.509 151 H SER 22 HN SER 22 -4.761 -0.197 4.468 152 HA SER 22 HA SER 22 -6.948 0.012 3.639 153 1HB SER 22 HB2 SER 22 -6.460 2.572 2.253 154 2HB SER 22 HB1 SER 22 -7.711 2.142 3.416 155 HG SER 22 HG SER 22 -6.381 3.533 4.468 156 H GLY 23 HN GLY 23 -4.834 -1.233 2.025 157 1HA GLY 23 HA2 GLY 23 -4.960 -2.295 -0.103 158 2HA GLY 23 HA1 GLY 23 -6.255 -1.185 -0.549 159 H LYS 24 HN LYS 24 -4.169 0.936 0.595 160 HA LYS 24 HA LYS 24 -2.711 1.162 -2.009 161 1HB LYS 24 HB2 LYS 24 -3.331 3.464 -0.155 162 2HB LYS 24 HB1 LYS 24 -2.879 3.524 -1.858 163 1HG LYS 24 HG2 LYS 24 -4.990 2.642 -2.549 164 2HG LYS 24 HG1 LYS 24 -5.415 2.196 -0.896 165 1HD LYS 24 HD2 LYS 24 -5.125 4.747 -0.403 166 2HD LYS 24 HD1 LYS 24 -5.319 4.928 -2.146 167 1HE LYS 24 HE2 LYS 24 -7.335 3.134 -1.369 168 2HE LYS 24 HE1 LYS 24 -7.336 4.394 -0.135 169 1HZ LYS 24 HZ1 LYS 24 -8.716 5.219 -1.791 170 2HZ LYS 24 HZ2 LYS 24 -7.717 4.667 -3.050 171 3HZ LYS 24 HZ3 LYS 24 -7.238 5.992 -2.100 172 1H CYS 25 H1 CYS 25 2.339 2.775 1.985 173 H CYS 25 HN CYS 25 -0.770 2.908 -1.487 174 HA CYS 25 HA CYS 25 1.024 1.422 0.251 175 1HB CYS 25 HB2 CYS 25 1.233 3.564 -1.707 176 2HB CYS 25 HB1 CYS 25 2.217 3.898 -0.282 Start of MODEL 2 1 2H CYS 1 HT2 CYS 1 10.786 2.122 -6.630 2 3H CYS 1 HT3 CYS 1 11.886 2.389 -5.362 3 HA CYS 1 HA CYS 1 9.524 1.377 -4.907 4 1HB CYS 1 HB2 CYS 1 9.637 2.663 -2.658 5 2HB CYS 1 HB1 CYS 1 11.004 1.639 -3.092 6 H LYS 2 HN LYS 2 7.403 2.072 -4.297 7 HA LYS 2 HA LYS 2 6.517 4.484 -5.708 8 1HB LYS 2 HB2 LYS 2 5.179 2.182 -4.323 9 2HB LYS 2 HB1 LYS 2 4.255 3.651 -4.639 10 1HG LYS 2 HG2 LYS 2 4.034 2.024 -6.492 11 2HG LYS 2 HG1 LYS 2 4.816 3.512 -7.025 12 1HD LYS 2 HD2 LYS 2 7.033 2.423 -6.714 13 2HD LYS 2 HD1 LYS 2 6.209 0.922 -6.287 14 1HE LYS 2 HE2 LYS 2 6.322 2.329 -8.943 15 2HE LYS 2 HE1 LYS 2 6.606 0.627 -8.575 16 1HZ LYS 2 HZ1 LYS 2 4.003 2.052 -8.549 17 2HZ LYS 2 HZ2 LYS 2 4.221 0.462 -7.989 18 3HZ LYS 2 HZ3 LYS 2 4.489 0.835 -9.626 19 H GLY 3 HN GLY 3 5.229 6.160 -4.640 20 1HA GLY 3 HA2 GLY 3 6.296 6.782 -1.953 21 2HA GLY 3 HA1 GLY 3 5.402 7.893 -2.994 22 H LYS 4 HN LYS 4 4.793 7.432 -0.208 23 HA LYS 4 HA LYS 4 2.797 5.598 0.368 24 1HB LYS 4 HB2 LYS 4 3.684 8.165 1.397 25 2HB LYS 4 HB1 LYS 4 1.952 7.946 1.597 26 1HG LYS 4 HG2 LYS 4 2.309 5.802 2.683 27 2HG LYS 4 HG1 LYS 4 4.039 5.916 2.404 28 1HD LYS 4 HD2 LYS 4 2.567 8.054 3.939 29 2HD LYS 4 HD1 LYS 4 3.169 6.602 4.742 30 1HE LYS 4 HE2 LYS 4 5.442 7.104 3.769 31 2HE LYS 4 HE1 LYS 4 4.795 8.646 3.209 32 1HZ LYS 4 HZ1 LYS 4 5.698 9.172 5.251 33 2HZ LYS 4 HZ2 LYS 4 5.219 7.709 5.969 34 3HZ LYS 4 HZ3 LYS 4 4.068 8.915 5.644 35 H GLY 5 HN GLY 5 0.484 5.822 0.420 36 1HA GLY 5 HA2 GLY 5 -1.599 6.259 -0.570 37 2HA GLY 5 HA1 GLY 5 -0.973 7.862 -0.949 38 H ALA 6 HN ALA 6 1.072 5.510 -2.241 39 HA ALA 6 HA ALA 6 0.192 6.153 -4.946 40 1HB ALA 6 HB1 ALA 6 2.395 4.373 -3.885 41 2HB ALA 6 HB2 ALA 6 2.566 6.000 -4.544 42 3HB ALA 6 HB3 ALA 6 2.111 4.664 -5.601 43 H LYS 7 HN LYS 7 -1.566 4.437 -3.149 44 HA LYS 7 HA LYS 7 -2.902 2.564 -3.351 45 1HB LYS 7 HB2 LYS 7 -2.670 3.738 -5.888 46 2HB LYS 7 HB1 LYS 7 -2.488 1.998 -6.142 47 1HG LYS 7 HG2 LYS 7 -4.492 2.186 -4.237 48 2HG LYS 7 HG1 LYS 7 -4.843 3.505 -5.339 49 1HD LYS 7 HD2 LYS 7 -5.217 2.102 -7.143 50 2HD LYS 7 HD1 LYS 7 -4.135 0.855 -6.521 51 1HE LYS 7 HE2 LYS 7 -6.513 0.159 -6.384 52 2HE LYS 7 HE1 LYS 7 -5.768 0.265 -4.790 53 1HZ LYS 7 HZ1 LYS 7 -8.070 1.375 -5.278 54 2HZ LYS 7 HZ2 LYS 7 -7.102 2.640 -5.870 55 3HZ LYS 7 HZ3 LYS 7 -6.942 2.126 -4.258 56 H CYS 8 HN CYS 8 -2.865 0.256 -3.654 57 HA CYS 8 HA CYS 8 -0.719 -1.213 -4.775 58 1HB CYS 8 HB2 CYS 8 0.633 -1.764 -2.860 59 2HB CYS 8 HB1 CYS 8 0.575 -0.009 -2.974 60 H SER 9 HN SER 9 -0.520 -3.364 -3.035 61 HA SER 9 HA SER 9 -3.343 -4.308 -2.992 62 1HB SER 9 HB2 SER 9 -1.510 -5.565 -4.266 63 2HB SER 9 HB1 SER 9 -0.852 -5.998 -2.692 64 HG SER 9 HG SER 9 -2.822 -7.157 -4.004 65 H ARG 10 HN ARG 10 -2.402 -6.538 -1.151 66 HA ARG 10 HA ARG 10 -2.808 -5.011 1.358 67 1HB ARG 10 HB2 ARG 10 -3.152 -7.879 0.536 68 2HB ARG 10 HB1 ARG 10 -2.961 -7.483 2.246 69 1HG ARG 10 HG2 ARG 10 -4.955 -6.303 2.340 70 2HG ARG 10 HG1 ARG 10 -4.914 -5.896 0.624 71 1HD ARG 10 HD2 ARG 10 -5.022 -8.744 0.886 72 2HD ARG 10 HD1 ARG 10 -6.300 -8.047 1.878 73 HE ARG 10 HE ARG 10 -6.374 -8.269 -0.942 74 1HH1 ARG 10 HH21 ARG 10 -6.837 -5.849 1.496 75 2HH1 ARG 10 HH22 ARG 10 -7.698 -4.784 0.439 76 1HH2 ARG 10 HH11 ARG 10 -7.516 -6.895 -2.297 77 2HH2 ARG 10 HH12 ARG 10 -8.090 -5.377 -1.694 78 H LEU 11 HN LEU 11 -0.370 -6.830 -0.341 79 HA LEU 11 HA LEU 11 1.469 -6.339 1.958 80 1HB LEU 11 HB2 LEU 11 1.095 -8.889 0.383 81 2HB LEU 11 HB1 LEU 11 2.594 -8.547 1.250 82 HG LEU 11 HG LEU 11 0.733 -7.943 3.158 83 1HD1 LEU 11 HD11 LEU 11 -0.322 -10.506 2.023 84 2HD1 LEU 11 HD12 LEU 11 -0.911 -8.984 1.355 85 3HD1 LEU 11 HD13 LEU 11 -1.121 -9.334 3.071 86 1HD2 LEU 11 HD21 LEU 11 1.418 -10.809 3.055 87 2HD2 LEU 11 HD22 LEU 11 1.818 -9.601 4.276 88 3HD2 LEU 11 HD23 LEU 11 2.793 -9.731 2.814 89 H MET 12 HN MET 12 2.761 -8.100 -0.702 90 HA MET 12 HA MET 12 4.179 -7.466 -2.454 91 1HB MET 12 HB2 MET 12 2.963 -4.708 -2.150 92 2HB MET 12 HB1 MET 12 3.771 -5.371 -3.572 93 1HG MET 12 HG2 MET 12 1.689 -7.178 -2.812 94 2HG MET 12 HG1 MET 12 1.009 -5.553 -2.883 95 1HE MET 12 HE1 MET 12 1.381 -3.995 -4.384 96 2HE MET 12 HE2 MET 12 0.656 -4.382 -5.942 97 3HE MET 12 HE3 MET 12 2.388 -4.079 -5.835 98 H TYR 13 HN TYR 13 3.938 -4.686 -0.198 99 HA TYR 13 HA TYR 13 5.601 -3.653 1.091 100 1HB TYR 13 HB2 TYR 13 7.388 -5.947 0.232 101 2HB TYR 13 HB1 TYR 13 7.651 -4.849 1.584 102 HD1 TYR 13 HD1 TYR 13 6.549 -8.041 0.776 103 HD2 TYR 13 HD2 TYR 13 5.452 -4.658 3.182 104 HE1 TYR 13 HE1 TYR 13 5.215 -9.523 2.250 105 HE2 TYR 13 HE2 TYR 13 4.116 -6.137 4.655 106 HH TYR 13 HH TYR 13 4.202 -8.694 5.256 107 H ASP 14 HN ASP 14 5.152 -2.737 -1.496 108 HA ASP 14 HA ASP 14 7.886 -2.270 -2.595 109 1HB ASP 14 HB2 ASP 14 5.148 -1.789 -3.812 110 2HB ASP 14 HB1 ASP 14 6.679 -1.413 -4.603 111 H CYS 15 HN CYS 15 5.263 -0.771 -0.919 112 HA CYS 15 HA CYS 15 5.471 1.934 -1.575 113 1HB CYS 15 HB2 CYS 15 5.296 0.856 1.254 114 2HB CYS 15 HB1 CYS 15 4.740 2.431 0.682 115 H CYS 16 HN CYS 16 7.057 3.351 -1.536 116 HA CYS 16 HA CYS 16 9.722 2.670 -0.735 117 1HB CYS 16 HB2 CYS 16 8.835 4.425 -2.449 118 2HB CYS 16 HB1 CYS 16 8.735 5.490 -1.054 119 H THR 17 HN THR 17 7.012 3.715 1.046 120 HA THR 17 HA THR 17 8.665 3.962 3.468 121 HB THR 17 HB THR 17 7.192 6.159 3.922 122 HG1 THR 17 HG1 THR 17 7.431 7.311 1.794 123 1HG2 THR 17 HG21 THR 17 9.359 7.140 2.406 124 2HG2 THR 17 HG22 THR 17 9.886 5.588 3.056 125 3HG2 THR 17 HG23 THR 17 9.318 6.854 4.146 126 H GLY 18 HN GLY 18 7.597 2.670 4.882 127 1HA GLY 18 HA2 GLY 18 5.762 2.059 6.281 128 2HA GLY 18 HA1 GLY 18 4.694 3.024 5.262 129 H SER 19 HN SER 19 3.189 1.246 5.120 130 HA SER 19 HA SER 19 4.055 -0.806 3.140 131 1HB SER 19 HB2 SER 19 4.082 -1.814 5.423 132 2HB SER 19 HB1 SER 19 2.382 -1.389 5.603 133 HG SER 19 HG SER 19 3.592 -3.200 3.798 134 H CYS 20 HN CYS 20 1.526 -2.149 3.128 135 HA CYS 20 HA CYS 20 -0.006 -0.210 1.547 136 1HB CYS 20 HB2 CYS 20 -0.173 -3.158 2.081 137 2HB CYS 20 HB1 CYS 20 -1.583 -2.321 1.432 138 H ARG 21 HN ARG 21 -1.383 1.154 2.576 139 HA ARG 21 HA ARG 21 -2.700 0.217 5.082 140 1HB ARG 21 HB2 ARG 21 -2.324 3.000 3.947 141 2HB ARG 21 HB1 ARG 21 -3.204 2.640 5.432 142 1HG ARG 21 HG2 ARG 21 -1.298 2.147 6.609 143 2HG ARG 21 HG1 ARG 21 -0.467 1.500 5.193 144 1HD ARG 21 HD2 ARG 21 0.567 3.619 5.913 145 2HD ARG 21 HD1 ARG 21 -0.174 3.796 4.322 146 HE ARG 21 HE ARG 21 -2.173 4.581 6.071 147 1HH1 ARG 21 HH21 ARG 21 1.136 5.408 5.521 148 2HH1 ARG 21 HH22 ARG 21 0.946 7.047 6.047 149 1HH2 ARG 21 HH11 ARG 21 -2.430 6.714 6.757 150 2HH2 ARG 21 HH12 ARG 21 -1.070 7.786 6.745 151 H SER 22 HN SER 22 -4.728 -0.513 4.806 152 HA SER 22 HA SER 22 -6.906 -0.740 3.972 153 1HB SER 22 HB2 SER 22 -6.619 2.048 2.860 154 2HB SER 22 HB1 SER 22 -8.072 1.251 3.456 155 HG SER 22 HG SER 22 -5.798 2.006 4.986 156 H GLY 23 HN GLY 23 -4.321 -0.909 2.148 157 1HA GLY 23 HA2 GLY 23 -4.527 -2.189 0.029 158 2HA GLY 23 HA1 GLY 23 -5.894 -1.155 -0.383 159 H LYS 24 HN LYS 24 -4.352 1.220 0.726 160 HA LYS 24 HA LYS 24 -2.824 1.722 -1.762 161 1HB LYS 24 HB2 LYS 24 -3.623 3.643 0.443 162 2HB LYS 24 HB1 LYS 24 -2.924 4.082 -1.116 163 1HG LYS 24 HG2 LYS 24 -4.893 3.806 -2.218 164 2HG LYS 24 HG1 LYS 24 -5.319 2.368 -1.290 165 1HD LYS 24 HD2 LYS 24 -5.326 4.977 0.153 166 2HD LYS 24 HD1 LYS 24 -6.638 4.678 -0.988 167 1HE LYS 24 HE2 LYS 24 -6.953 2.425 0.170 168 2HE LYS 24 HE1 LYS 24 -5.871 3.025 1.425 169 1HZ LYS 24 HZ1 LYS 24 -8.098 3.486 2.078 170 2HZ LYS 24 HZ2 LYS 24 -8.460 4.203 0.579 171 3HZ LYS 24 HZ3 LYS 24 -7.378 4.961 1.649 172 1H CYS 25 H1 CYS 25 2.474 2.860 1.937 173 H CYS 25 HN CYS 25 -0.757 3.084 -1.439 174 HA CYS 25 HA CYS 25 0.999 1.598 0.330 175 1HB CYS 25 HB2 CYS 25 1.273 3.654 -1.759 176 2HB CYS 25 HB1 CYS 25 2.456 3.795 -0.459 Start of MODEL 3 1 2H CYS 1 HT2 CYS 1 10.687 1.710 -6.438 2 3H CYS 1 HT3 CYS 1 11.800 1.647 -5.158 3 HA CYS 1 HA CYS 1 9.488 0.897 -4.601 4 1HB CYS 1 HB2 CYS 1 9.462 2.512 -2.527 5 2HB CYS 1 HB1 CYS 1 10.775 1.352 -2.713 6 H LYS 2 HN LYS 2 7.414 1.876 -3.728 7 HA LYS 2 HA LYS 2 6.485 3.958 -5.629 8 1HB LYS 2 HB2 LYS 2 5.217 1.746 -4.104 9 2HB LYS 2 HB1 LYS 2 4.238 3.196 -4.328 10 1HG LYS 2 HG2 LYS 2 5.711 2.173 -6.709 11 2HG LYS 2 HG1 LYS 2 4.317 1.240 -6.163 12 1HD LYS 2 HD2 LYS 2 2.912 3.258 -6.256 13 2HD LYS 2 HD1 LYS 2 4.303 4.210 -6.775 14 1HE LYS 2 HE2 LYS 2 4.438 3.084 -8.858 15 2HE LYS 2 HE1 LYS 2 3.395 1.773 -8.308 16 1HZ LYS 2 HZ1 LYS 2 2.249 4.436 -8.197 17 2HZ LYS 2 HZ2 LYS 2 1.543 2.966 -8.674 18 3HZ LYS 2 HZ3 LYS 2 2.533 3.829 -9.754 19 H GLY 3 HN GLY 3 4.808 5.531 -4.641 20 1HA GLY 3 HA2 GLY 3 5.968 6.602 -2.112 21 2HA GLY 3 HA1 GLY 3 5.069 7.555 -3.294 22 H LYS 4 HN LYS 4 4.512 7.266 -0.401 23 HA LYS 4 HA LYS 4 2.438 5.510 0.216 24 1HB LYS 4 HB2 LYS 4 3.544 7.882 1.337 25 2HB LYS 4 HB1 LYS 4 1.790 8.024 1.373 26 1HG LYS 4 HG2 LYS 4 1.811 5.606 2.248 27 2HG LYS 4 HG1 LYS 4 3.516 5.874 2.576 28 1HD LYS 4 HD2 LYS 4 1.684 8.008 3.512 29 2HD LYS 4 HD1 LYS 4 1.555 6.465 4.358 30 1HE LYS 4 HE2 LYS 4 4.312 7.440 3.853 31 2HE LYS 4 HE1 LYS 4 3.370 8.364 5.022 32 1HZ LYS 4 HZ1 LYS 4 3.767 6.785 6.499 33 2HZ LYS 4 HZ2 LYS 4 4.598 5.852 5.347 34 3HZ LYS 4 HZ3 LYS 4 2.920 5.670 5.542 35 H GLY 5 HN GLY 5 0.168 5.781 0.253 36 1HA GLY 5 HA2 GLY 5 -1.922 6.354 -0.658 37 2HA GLY 5 HA1 GLY 5 -1.216 7.905 -1.105 38 H ALA 6 HN ALA 6 0.762 5.603 -2.452 39 HA ALA 6 HA ALA 6 -0.325 6.102 -5.109 40 1HB ALA 6 HB1 ALA 6 1.662 5.095 -5.933 41 2HB ALA 6 HB2 ALA 6 1.928 4.216 -4.427 42 3HB ALA 6 HB3 ALA 6 2.154 5.965 -4.479 43 H LYS 7 HN LYS 7 -1.927 4.373 -3.207 44 HA LYS 7 HA LYS 7 -3.166 2.417 -3.305 45 1HB LYS 7 HB2 LYS 7 -3.035 3.494 -5.886 46 2HB LYS 7 HB1 LYS 7 -2.733 1.763 -6.079 47 1HG LYS 7 HG2 LYS 7 -4.727 1.878 -4.163 48 2HG LYS 7 HG1 LYS 7 -5.180 3.133 -5.301 49 1HD LYS 7 HD2 LYS 7 -4.540 0.260 -6.022 50 2HD LYS 7 HD1 LYS 7 -6.156 0.969 -5.979 51 1HE LYS 7 HE2 LYS 7 -5.511 2.573 -7.732 52 2HE LYS 7 HE1 LYS 7 -3.887 1.888 -7.769 53 1HZ LYS 7 HZ1 LYS 7 -6.282 0.933 -8.990 54 2HZ LYS 7 HZ2 LYS 7 -5.546 -0.265 -8.037 55 3HZ LYS 7 HZ3 LYS 7 -4.672 0.489 -9.285 56 H CYS 8 HN CYS 8 -2.988 0.111 -3.466 57 HA CYS 8 HA CYS 8 -0.772 -1.275 -4.574 58 1HB CYS 8 HB2 CYS 8 0.650 -1.646 -2.679 59 2HB CYS 8 HB1 CYS 8 0.445 0.096 -2.830 60 H SER 9 HN SER 9 -0.441 -3.437 -3.071 61 HA SER 9 HA SER 9 -3.207 -4.475 -2.740 62 1HB SER 9 HB2 SER 9 -1.674 -5.701 -4.255 63 2HB SER 9 HB1 SER 9 -0.556 -5.945 -2.916 64 HG SER 9 HG SER 9 -2.829 -7.283 -3.558 65 H ARG 10 HN ARG 10 -1.901 -6.722 -1.080 66 HA ARG 10 HA ARG 10 -2.233 -5.326 1.508 67 1HB ARG 10 HB2 ARG 10 -2.068 -8.249 0.737 68 2HB ARG 10 HB1 ARG 10 -2.136 -7.701 2.411 69 1HG ARG 10 HG2 ARG 10 -4.191 -6.933 0.324 70 2HG ARG 10 HG1 ARG 10 -4.384 -8.301 1.421 71 1HD ARG 10 HD2 ARG 10 -3.592 -5.950 2.896 72 2HD ARG 10 HD1 ARG 10 -5.027 -5.598 1.937 73 HE ARG 10 HE ARG 10 -5.013 -7.089 4.337 74 1HH1 ARG 10 HH21 ARG 10 -6.177 -7.399 1.086 75 2HH1 ARG 10 HH22 ARG 10 -7.300 -8.651 1.486 76 1HH2 ARG 10 HH11 ARG 10 -6.489 -8.697 4.850 77 2HH2 ARG 10 HH12 ARG 10 -7.483 -9.379 3.606 78 H LEU 11 HN LEU 11 0.048 -7.799 0.256 79 HA LEU 11 HA LEU 11 2.195 -6.379 1.786 80 1HB LEU 11 HB2 LEU 11 1.564 -9.308 1.528 81 2HB LEU 11 HB1 LEU 11 3.229 -8.794 1.797 82 HG LEU 11 HG LEU 11 1.895 -7.271 3.640 83 1HD1 LEU 11 HD11 LEU 11 -0.104 -8.154 4.170 84 2HD1 LEU 11 HD12 LEU 11 0.639 -9.731 4.437 85 3HD1 LEU 11 HD13 LEU 11 0.065 -9.288 2.830 86 1HD2 LEU 11 HD21 LEU 11 3.374 -8.345 4.963 87 2HD2 LEU 11 HD22 LEU 11 3.754 -9.384 3.590 88 3HD2 LEU 11 HD23 LEU 11 2.524 -9.876 4.755 89 H MET 12 HN MET 12 1.980 -5.434 -0.657 90 HA MET 12 HA MET 12 3.407 -7.061 -2.636 91 1HB MET 12 HB2 MET 12 2.007 -4.456 -2.580 92 2HB MET 12 HB1 MET 12 3.391 -4.533 -3.671 93 1HG MET 12 HG2 MET 12 1.341 -6.740 -3.645 94 2HG MET 12 HG1 MET 12 1.065 -5.268 -4.578 95 1HE MET 12 HE1 MET 12 3.837 -5.112 -7.138 96 2HE MET 12 HE2 MET 12 3.692 -4.283 -5.589 97 3HE MET 12 HE3 MET 12 2.261 -4.524 -6.590 98 H TYR 13 HN TYR 13 4.302 -5.097 -0.029 99 HA TYR 13 HA TYR 13 6.339 -4.093 0.588 100 1HB TYR 13 HB2 TYR 13 7.272 -6.383 -1.166 101 2HB TYR 13 HB1 TYR 13 8.353 -5.413 -0.164 102 HD1 TYR 13 HD1 TYR 13 5.626 -7.889 -0.159 103 HD2 TYR 13 HD2 TYR 13 8.298 -5.562 2.269 104 HE1 TYR 13 HE1 TYR 13 5.061 -9.290 1.805 105 HE2 TYR 13 HE2 TYR 13 7.733 -6.962 4.234 106 HH TYR 13 HH TYR 13 6.320 -9.898 4.052 107 H ASP 14 HN ASP 14 5.132 -2.644 -1.428 108 HA ASP 14 HA ASP 14 7.408 -2.010 -3.267 109 1HB ASP 14 HB2 ASP 14 5.456 -0.833 -4.573 110 2HB ASP 14 HB1 ASP 14 5.656 -2.580 -4.705 111 H CYS 15 HN CYS 15 5.332 -0.834 -0.770 112 HA CYS 15 HA CYS 15 5.493 1.974 -1.294 113 1HB CYS 15 HB2 CYS 15 5.399 0.657 1.430 114 2HB CYS 15 HB1 CYS 15 4.861 2.284 1.006 115 H CYS 16 HN CYS 16 7.147 3.270 -1.255 116 HA CYS 16 HA CYS 16 9.804 2.425 -0.597 117 1HB CYS 16 HB2 CYS 16 8.891 4.333 -2.160 118 2HB CYS 16 HB1 CYS 16 8.992 5.306 -0.698 119 H THR 17 HN THR 17 7.238 3.918 1.246 120 HA THR 17 HA THR 17 8.893 3.680 3.678 121 HB THR 17 HB THR 17 7.740 6.153 4.096 122 HG1 THR 17 HG1 THR 17 7.923 7.306 2.288 123 1HG2 THR 17 HG21 THR 17 9.884 6.199 4.815 124 2HG2 THR 17 HG22 THR 17 10.279 6.752 3.188 125 3HG2 THR 17 HG23 THR 17 10.406 5.040 3.591 126 H GLY 18 HN GLY 18 7.557 2.456 4.922 127 1HA GLY 18 HA2 GLY 18 5.593 2.510 6.422 128 2HA GLY 18 HA1 GLY 18 4.699 3.310 5.128 129 H SER 19 HN SER 19 3.070 1.727 4.959 130 HA SER 19 HA SER 19 3.901 -0.731 3.539 131 1HB SER 19 HB2 SER 19 2.417 -0.704 6.172 132 2HB SER 19 HB1 SER 19 2.326 -2.067 5.060 133 HG SER 19 HG SER 19 4.222 -1.501 6.820 134 H CYS 20 HN CYS 20 1.480 -2.007 3.377 135 HA CYS 20 HA CYS 20 -0.027 -0.161 1.674 136 1HB CYS 20 HB2 CYS 20 -0.090 -3.090 2.265 137 2HB CYS 20 HB1 CYS 20 -1.554 -2.349 1.620 138 H ARG 21 HN ARG 21 -1.336 1.274 2.717 139 HA ARG 21 HA ARG 21 -2.853 0.322 5.100 140 1HB ARG 21 HB2 ARG 21 -1.499 2.353 5.422 141 2HB ARG 21 HB1 ARG 21 -2.348 3.137 4.091 142 1HG ARG 21 HG2 ARG 21 -4.431 3.096 5.286 143 2HG ARG 21 HG1 ARG 21 -3.759 2.048 6.537 144 1HD ARG 21 HD2 ARG 21 -2.000 4.071 6.710 145 2HD ARG 21 HD1 ARG 21 -3.395 4.975 6.120 146 HE ARG 21 HE ARG 21 -4.430 3.461 8.192 147 1HH1 ARG 21 HH21 ARG 21 -1.770 5.627 7.777 148 2HH1 ARG 21 HH22 ARG 21 -1.811 6.196 9.411 149 1HH2 ARG 21 HH11 ARG 21 -4.490 4.197 10.327 150 2HH2 ARG 21 HH12 ARG 21 -3.348 5.387 10.853 151 H SER 22 HN SER 22 -4.943 -0.194 4.774 152 HA SER 22 HA SER 22 -7.043 -0.353 3.740 153 1HB SER 22 HB2 SER 22 -6.718 2.477 2.802 154 2HB SER 22 HB1 SER 22 -8.138 1.684 3.481 155 HG SER 22 HG SER 22 -7.199 1.771 5.492 156 H GLY 23 HN GLY 23 -4.465 -0.679 2.072 157 1HA GLY 23 HA2 GLY 23 -4.535 -1.674 -0.160 158 2HA GLY 23 HA1 GLY 23 -5.874 -0.598 -0.555 159 H LYS 24 HN LYS 24 -4.290 1.629 0.853 160 HA LYS 24 HA LYS 24 -2.741 2.382 -1.550 161 1HB LYS 24 HB2 LYS 24 -3.644 3.946 0.881 162 2HB LYS 24 HB1 LYS 24 -2.643 4.629 -0.401 163 1HG LYS 24 HG2 LYS 24 -4.349 4.392 -2.022 164 2HG LYS 24 HG1 LYS 24 -5.254 3.254 -1.024 165 1HD LYS 24 HD2 LYS 24 -6.224 4.906 0.218 166 2HD LYS 24 HD1 LYS 24 -4.786 5.924 0.175 167 1HE LYS 24 HE2 LYS 24 -6.088 7.167 -1.248 168 2HE LYS 24 HE1 LYS 24 -5.457 6.023 -2.432 169 1HZ LYS 24 HZ1 LYS 24 -7.403 4.826 -2.450 170 2HZ LYS 24 HZ2 LYS 24 -7.991 6.408 -2.258 171 3HZ LYS 24 HZ3 LYS 24 -7.893 5.367 -0.919 172 1H CYS 25 H1 CYS 25 2.712 2.718 2.027 173 H CYS 25 HN CYS 25 -0.558 3.326 -1.268 174 HA CYS 25 HA CYS 25 1.061 1.652 0.452 175 1HB CYS 25 HB2 CYS 25 1.503 3.618 -1.661 176 2HB CYS 25 HB1 CYS 25 2.688 3.757 -0.363 Start of MODEL 4 1 2H CYS 1 HT2 CYS 1 11.770 2.203 -4.751 2 3H CYS 1 HT3 CYS 1 10.925 3.516 -5.421 3 HA CYS 1 HA CYS 1 9.406 1.203 -4.432 4 1HB CYS 1 HB2 CYS 1 9.308 2.578 -2.230 5 2HB CYS 1 HB1 CYS 1 10.719 1.560 -2.507 6 H LYS 2 HN LYS 2 7.233 1.897 -3.936 7 HA LYS 2 HA LYS 2 6.393 4.205 -5.549 8 1HB LYS 2 HB2 LYS 2 4.933 2.049 -4.021 9 2HB LYS 2 HB1 LYS 2 4.079 3.429 -4.712 10 1HG LYS 2 HG2 LYS 2 4.028 1.617 -6.324 11 2HG LYS 2 HG1 LYS 2 5.104 2.874 -6.934 12 1HD LYS 2 HD2 LYS 2 6.977 1.582 -6.685 13 2HD LYS 2 HD1 LYS 2 6.367 0.798 -5.228 14 1HE LYS 2 HE2 LYS 2 5.790 -0.989 -6.462 15 2HE LYS 2 HE1 LYS 2 4.654 0.024 -7.351 16 1HZ LYS 2 HZ1 LYS 2 7.532 -0.005 -8.013 17 2HZ LYS 2 HZ2 LYS 2 6.226 0.499 -8.977 18 3HZ LYS 2 HZ3 LYS 2 6.468 -1.154 -8.666 19 H GLY 3 HN GLY 3 4.983 5.898 -4.629 20 1HA GLY 3 HA2 GLY 3 5.809 6.563 -1.844 21 2HA GLY 3 HA1 GLY 3 5.226 7.727 -3.034 22 H LYS 4 HN LYS 4 4.076 7.574 -0.443 23 HA LYS 4 HA LYS 4 1.822 5.925 -0.184 24 1HB LYS 4 HB2 LYS 4 2.578 8.640 0.806 25 2HB LYS 4 HB1 LYS 4 0.953 8.049 1.085 26 1HG LYS 4 HG2 LYS 4 1.658 6.689 2.720 27 2HG LYS 4 HG1 LYS 4 2.862 5.970 1.657 28 1HD LYS 4 HD2 LYS 4 4.127 6.940 3.416 29 2HD LYS 4 HD1 LYS 4 4.254 8.093 2.087 30 1HE LYS 4 HE2 LYS 4 1.890 8.711 3.572 31 2HE LYS 4 HE1 LYS 4 3.225 8.545 4.712 32 1HZ LYS 4 HZ1 LYS 4 2.709 10.633 2.880 33 2HZ LYS 4 HZ2 LYS 4 4.216 9.931 2.532 34 3HZ LYS 4 HZ3 LYS 4 3.899 10.543 4.085 35 H GLY 5 HN GLY 5 -0.363 6.238 -0.752 36 1HA GLY 5 HA2 GLY 5 -2.182 7.350 -1.872 37 2HA GLY 5 HA1 GLY 5 -1.015 8.459 -2.605 38 H ALA 6 HN ALA 6 0.752 6.076 -3.184 39 HA ALA 6 HA ALA 6 -0.319 5.518 -5.827 40 1HB ALA 6 HB1 ALA 6 2.206 5.669 -4.879 41 2HB ALA 6 HB2 ALA 6 1.787 4.751 -6.325 42 3HB ALA 6 HB3 ALA 6 1.960 3.926 -4.775 43 H LYS 7 HN LYS 7 -2.318 4.545 -4.900 44 HA LYS 7 HA LYS 7 -2.952 2.511 -3.398 45 1HB LYS 7 HB2 LYS 7 -4.057 3.425 -5.706 46 2HB LYS 7 HB1 LYS 7 -3.685 1.751 -6.135 47 1HG LYS 7 HG2 LYS 7 -4.731 1.936 -3.445 48 2HG LYS 7 HG1 LYS 7 -5.853 2.628 -4.605 49 1HD LYS 7 HD2 LYS 7 -4.639 -0.142 -4.721 50 2HD LYS 7 HD1 LYS 7 -6.328 0.248 -4.394 51 1HE LYS 7 HE2 LYS 7 -5.872 1.576 -6.766 52 2HE LYS 7 HE1 LYS 7 -4.902 0.115 -6.962 53 1HZ LYS 7 HZ1 LYS 7 -6.716 -1.215 -6.903 54 2HZ LYS 7 HZ2 LYS 7 -7.466 0.179 -7.521 55 3HZ LYS 7 HZ3 LYS 7 -7.590 -0.195 -5.868 56 H CYS 8 HN CYS 8 -2.727 0.306 -3.137 57 HA CYS 8 HA CYS 8 -0.954 -1.165 -5.009 58 1HB CYS 8 HB2 CYS 8 0.543 -1.893 -3.199 59 2HB CYS 8 HB1 CYS 8 0.554 -0.134 -3.330 60 H SER 9 HN SER 9 -0.573 -3.455 -3.514 61 HA SER 9 HA SER 9 -3.347 -4.484 -3.360 62 1HB SER 9 HB2 SER 9 -1.659 -5.698 -4.728 63 2HB SER 9 HB1 SER 9 -0.700 -5.967 -3.275 64 HG SER 9 HG SER 9 -2.183 -7.701 -3.900 65 H ARG 10 HN ARG 10 -1.548 -6.565 -1.527 66 HA ARG 10 HA ARG 10 -2.283 -5.124 0.987 67 1HB ARG 10 HB2 ARG 10 -3.723 -7.080 0.591 68 2HB ARG 10 HB1 ARG 10 -2.298 -8.106 0.429 69 1HG ARG 10 HG2 ARG 10 -3.235 -8.289 2.698 70 2HG ARG 10 HG1 ARG 10 -1.636 -7.547 2.747 71 1HD ARG 10 HD2 ARG 10 -2.472 -5.663 3.653 72 2HD ARG 10 HD1 ARG 10 -3.669 -5.523 2.366 73 HE ARG 10 HE ARG 10 -4.691 -7.509 4.005 74 1HH1 ARG 10 HH21 ARG 10 -3.550 -4.273 4.411 75 2HH1 ARG 10 HH22 ARG 10 -4.612 -3.930 5.736 76 1HH2 ARG 10 HH11 ARG 10 -6.078 -7.071 5.731 77 2HH2 ARG 10 HH12 ARG 10 -6.040 -5.509 6.482 78 H LEU 11 HN LEU 11 -0.210 -7.868 -0.043 79 HA LEU 11 HA LEU 11 1.947 -6.672 1.650 80 1HB LEU 11 HB2 LEU 11 0.821 -9.398 1.577 81 2HB LEU 11 HB1 LEU 11 2.584 -9.336 1.537 82 HG LEU 11 HG LEU 11 1.689 -7.421 3.455 83 1HD1 LEU 11 HD11 LEU 11 0.345 -8.678 4.946 84 2HD1 LEU 11 HD12 LEU 11 0.668 -10.189 4.097 85 3HD1 LEU 11 HD13 LEU 11 -0.376 -8.971 3.364 86 1HD2 LEU 11 HD21 LEU 11 2.865 -9.170 4.987 87 2HD2 LEU 11 HD22 LEU 11 3.819 -8.399 3.720 88 3HD2 LEU 11 HD23 LEU 11 3.199 -10.033 3.486 89 H MET 12 HN MET 12 2.654 -5.606 -0.365 90 HA MET 12 HA MET 12 3.981 -7.509 -2.254 91 1HB MET 12 HB2 MET 12 2.391 -5.099 -2.677 92 2HB MET 12 HB1 MET 12 3.969 -4.990 -3.458 93 1HG MET 12 HG2 MET 12 2.383 -7.521 -3.731 94 2HG MET 12 HG1 MET 12 1.950 -6.128 -4.721 95 1HE MET 12 HE1 MET 12 3.230 -4.958 -6.239 96 2HE MET 12 HE2 MET 12 4.756 -5.411 -6.995 97 3HE MET 12 HE3 MET 12 4.758 -4.662 -5.400 98 H TYR 13 HN TYR 13 4.385 -4.819 -0.081 99 HA TYR 13 HA TYR 13 6.355 -3.907 0.819 100 1HB TYR 13 HB2 TYR 13 7.872 -5.890 -0.887 101 2HB TYR 13 HB1 TYR 13 8.406 -5.116 0.604 102 HD1 TYR 13 HD1 TYR 13 6.904 -8.014 -0.791 103 HD2 TYR 13 HD2 TYR 13 6.901 -5.535 2.716 104 HE1 TYR 13 HE1 TYR 13 5.937 -9.878 0.524 105 HE2 TYR 13 HE2 TYR 13 5.933 -7.399 4.032 106 HH TYR 13 HH TYR 13 6.058 -10.285 3.496 107 H ASP 14 HN ASP 14 5.134 -2.816 -1.542 108 HA ASP 14 HA ASP 14 7.494 -1.952 -3.145 109 1HB ASP 14 HB2 ASP 14 5.543 -0.863 -4.538 110 2HB ASP 14 HB1 ASP 14 5.856 -2.593 -4.679 111 H CYS 15 HN CYS 15 4.841 -0.748 -1.130 112 HA CYS 15 HA CYS 15 5.106 2.018 -1.510 113 1HB CYS 15 HB2 CYS 15 4.764 0.706 1.198 114 2HB CYS 15 HB1 CYS 15 4.218 2.310 0.708 115 H CYS 16 HN CYS 16 6.711 3.371 -1.264 116 HA CYS 16 HA CYS 16 9.307 2.565 -0.358 117 1HB CYS 16 HB2 CYS 16 8.524 4.477 -1.977 118 2HB CYS 16 HB1 CYS 16 8.437 5.429 -0.499 119 H THR 17 HN THR 17 6.512 3.610 1.318 120 HA THR 17 HA THR 17 8.101 4.496 3.672 121 HB THR 17 HB THR 17 6.228 5.945 3.035 122 HG1 THR 17 HG1 THR 17 6.718 5.291 5.325 123 1HG2 THR 17 HG21 THR 17 3.899 4.677 3.575 124 2HG2 THR 17 HG22 THR 17 4.831 3.331 2.920 125 3HG2 THR 17 HG23 THR 17 4.583 4.784 1.952 126 H GLY 18 HN GLY 18 5.728 3.640 5.383 127 1HA GLY 18 HA2 GLY 18 6.739 1.246 6.425 128 2HA GLY 18 HA1 GLY 18 5.053 1.741 6.595 129 H SER 19 HN SER 19 3.497 0.730 5.331 130 HA SER 19 HA SER 19 4.341 -0.953 3.060 131 1HB SER 19 HB2 SER 19 3.109 -2.937 4.044 132 2HB SER 19 HB1 SER 19 4.622 -2.535 4.851 133 HG SER 19 HG SER 19 1.997 -2.309 5.722 134 H CYS 20 HN CYS 20 2.220 -2.104 2.193 135 HA CYS 20 HA CYS 20 0.418 -0.224 1.252 136 1HB CYS 20 HB2 CYS 20 0.151 -3.163 1.826 137 2HB CYS 20 HB1 CYS 20 -1.264 -2.253 1.292 138 H ARG 21 HN ARG 21 -1.172 1.004 2.189 139 HA ARG 21 HA ARG 21 -2.282 0.086 4.805 140 1HB ARG 21 HB2 ARG 21 -0.504 2.034 4.820 141 2HB ARG 21 HB1 ARG 21 -1.868 3.009 4.270 142 1HG ARG 21 HG2 ARG 21 -3.164 2.439 6.213 143 2HG ARG 21 HG1 ARG 21 -1.993 1.219 6.709 144 1HD ARG 21 HD2 ARG 21 -0.556 3.645 6.402 145 2HD ARG 21 HD1 ARG 21 -2.014 4.031 7.315 146 HE ARG 21 HE ARG 21 -1.059 1.737 8.539 147 1HH1 ARG 21 HH21 ARG 21 0.214 4.832 7.686 148 2HH1 ARG 21 HH22 ARG 21 1.325 4.884 9.012 149 1HH2 ARG 21 HH11 ARG 21 0.385 1.794 10.273 150 2HH2 ARG 21 HH12 ARG 21 1.421 3.168 10.476 151 H SER 22 HN SER 22 -4.496 0.424 5.038 152 HA SER 22 HA SER 22 -6.693 0.667 4.223 153 1HB SER 22 HB2 SER 22 -5.750 3.237 2.971 154 2HB SER 22 HB1 SER 22 -7.285 2.894 3.764 155 HG SER 22 HG SER 22 -6.115 2.724 5.731 156 H GLY 23 HN GLY 23 -4.584 -0.535 2.409 157 1HA GLY 23 HA2 GLY 23 -4.930 -1.601 0.294 158 2HA GLY 23 HA1 GLY 23 -6.230 -0.458 -0.044 159 H LYS 24 HN LYS 24 -4.376 1.791 0.843 160 HA LYS 24 HA LYS 24 -2.926 1.974 -1.749 161 1HB LYS 24 HB2 LYS 24 -3.704 4.195 0.161 162 2HB LYS 24 HB1 LYS 24 -2.999 4.400 -1.443 163 1HG LYS 24 HG2 LYS 24 -4.954 3.853 -2.528 164 2HG LYS 24 HG1 LYS 24 -5.480 2.759 -1.248 165 1HD LYS 24 HD2 LYS 24 -5.329 5.390 -0.143 166 2HD LYS 24 HD1 LYS 24 -6.234 5.486 -1.654 167 1HE LYS 24 HE2 LYS 24 -8.005 4.400 -0.771 168 2HE LYS 24 HE1 LYS 24 -6.977 3.139 -0.088 169 1HZ LYS 24 HZ1 LYS 24 -7.871 4.175 1.761 170 2HZ LYS 24 HZ2 LYS 24 -7.753 5.731 1.086 171 3HZ LYS 24 HZ3 LYS 24 -6.355 4.923 1.617 172 1H CYS 25 H1 CYS 25 2.217 3.326 1.930 173 H CYS 25 HN CYS 25 -0.813 3.225 -1.653 174 HA CYS 25 HA CYS 25 0.876 2.031 0.388 175 1HB CYS 25 HB2 CYS 25 1.291 3.839 -1.955 176 2HB CYS 25 HB1 CYS 25 2.543 3.801 -0.716 Start of MODEL 5 1 2H CYS 1 HT2 CYS 1 11.674 2.126 -5.186 2 3H CYS 1 HT3 CYS 1 10.420 2.153 -6.329 3 HA CYS 1 HA CYS 1 9.175 0.979 -4.288 4 1HB CYS 1 HB2 CYS 1 9.765 2.282 -2.268 5 2HB CYS 1 HB1 CYS 1 11.085 1.242 -2.793 6 H LYS 2 HN LYS 2 7.362 2.290 -3.628 7 HA LYS 2 HA LYS 2 7.099 4.795 -5.238 8 1HB LYS 2 HB2 LYS 2 5.254 2.552 -4.556 9 2HB LYS 2 HB1 LYS 2 4.556 4.158 -4.745 10 1HG LYS 2 HG2 LYS 2 6.505 3.247 -6.812 11 2HG LYS 2 HG1 LYS 2 4.895 2.525 -6.831 12 1HD LYS 2 HD2 LYS 2 3.849 4.691 -7.024 13 2HD LYS 2 HD1 LYS 2 5.387 5.513 -6.757 14 1HE LYS 2 HE2 LYS 2 5.686 3.664 -8.935 15 2HE LYS 2 HE1 LYS 2 4.278 4.683 -9.234 16 1HZ LYS 2 HZ1 LYS 2 7.086 5.479 -8.834 17 2HZ LYS 2 HZ2 LYS 2 5.832 6.576 -8.504 18 3HZ LYS 2 HZ3 LYS 2 6.014 5.933 -10.066 19 H GLY 3 HN GLY 3 4.840 5.865 -4.083 20 1HA GLY 3 HA2 GLY 3 5.574 6.232 -1.208 21 2HA GLY 3 HA1 GLY 3 5.247 7.626 -2.239 22 H LYS 4 HN LYS 4 3.570 7.695 -0.236 23 HA LYS 4 HA LYS 4 1.323 6.002 -0.192 24 1HB LYS 4 HB2 LYS 4 1.862 8.840 0.579 25 2HB LYS 4 HB1 LYS 4 0.212 8.253 0.595 26 1HG LYS 4 HG2 LYS 4 0.562 7.126 2.500 27 2HG LYS 4 HG1 LYS 4 1.965 6.313 1.812 28 1HD LYS 4 HD2 LYS 4 3.090 8.691 2.203 29 2HD LYS 4 HD1 LYS 4 1.830 8.827 3.429 30 1HE LYS 4 HE2 LYS 4 2.941 6.216 3.644 31 2HE LYS 4 HE1 LYS 4 4.284 7.353 3.559 32 1HZ LYS 4 HZ1 LYS 4 3.853 8.042 5.604 33 2HZ LYS 4 HZ2 LYS 4 2.685 6.817 5.745 34 3HZ LYS 4 HZ3 LYS 4 2.234 8.370 5.223 35 H GLY 5 HN GLY 5 -0.742 6.221 -1.178 36 1HA GLY 5 HA2 GLY 5 -2.299 7.195 -2.749 37 2HA GLY 5 HA1 GLY 5 -0.971 8.146 -3.426 38 H ALA 6 HN ALA 6 0.843 5.829 -3.428 39 HA ALA 6 HA ALA 6 0.219 4.805 -6.051 40 1HB ALA 6 HB1 ALA 6 2.549 5.060 -5.160 41 2HB ALA 6 HB2 ALA 6 2.222 3.436 -5.767 42 3HB ALA 6 HB3 ALA 6 2.220 3.745 -4.029 43 H LYS 7 HN LYS 7 -1.993 4.074 -5.363 44 HA LYS 7 HA LYS 7 -2.879 2.239 -3.626 45 1HB LYS 7 HB2 LYS 7 -4.421 1.414 -5.266 46 2HB LYS 7 HB1 LYS 7 -4.091 3.097 -5.686 47 1HG LYS 7 HG2 LYS 7 -2.076 1.588 -6.943 48 2HG LYS 7 HG1 LYS 7 -3.573 0.713 -7.224 49 1HD LYS 7 HD2 LYS 7 -4.599 2.941 -7.924 50 2HD LYS 7 HD1 LYS 7 -2.955 3.581 -7.929 51 1HE LYS 7 HE2 LYS 7 -2.292 2.246 -9.716 52 2HE LYS 7 HE1 LYS 7 -3.532 1.033 -9.399 53 1HZ LYS 7 HZ1 LYS 7 -3.831 2.630 -11.370 54 2HZ LYS 7 HZ2 LYS 7 -4.291 3.766 -10.194 55 3HZ LYS 7 HZ3 LYS 7 -5.162 2.317 -10.368 56 H CYS 8 HN CYS 8 -2.852 -0.056 -3.350 57 HA CYS 8 HA CYS 8 -1.136 -1.708 -5.052 58 1HB CYS 8 HB2 CYS 8 0.452 -2.301 -3.274 59 2HB CYS 8 HB1 CYS 8 0.507 -0.567 -3.579 60 H SER 9 HN SER 9 -0.727 -3.816 -3.252 61 HA SER 9 HA SER 9 -3.527 -4.720 -2.885 62 1HB SER 9 HB2 SER 9 -1.741 -6.086 -4.127 63 2HB SER 9 HB1 SER 9 -1.026 -6.388 -2.547 64 HG SER 9 HG SER 9 -3.599 -7.087 -3.504 65 H ARG 10 HN ARG 10 -1.811 -6.653 -0.863 66 HA ARG 10 HA ARG 10 -2.257 -4.823 1.459 67 1HB ARG 10 HB2 ARG 10 -3.750 -7.029 0.943 68 2HB ARG 10 HB1 ARG 10 -2.454 -7.749 1.901 69 1HG ARG 10 HG2 ARG 10 -2.841 -6.099 3.688 70 2HG ARG 10 HG1 ARG 10 -4.123 -5.354 2.730 71 1HD ARG 10 HD2 ARG 10 -5.564 -7.170 2.999 72 2HD ARG 10 HD1 ARG 10 -4.247 -8.293 3.340 73 HE ARG 10 HE ARG 10 -4.150 -6.520 5.461 74 1HH1 ARG 10 HH21 ARG 10 -6.588 -8.449 3.954 75 2HH1 ARG 10 HH22 ARG 10 -7.464 -8.719 5.423 76 1HH2 ARG 10 HH11 ARG 10 -5.281 -6.865 7.379 77 2HH2 ARG 10 HH12 ARG 10 -6.724 -7.824 7.364 78 H LEU 11 HN LEU 11 -0.258 -7.343 0.012 79 HA LEU 11 HA LEU 11 1.842 -6.675 2.022 80 1HB LEU 11 HB2 LEU 11 0.623 -9.285 1.435 81 2HB LEU 11 HB1 LEU 11 2.386 -9.293 1.392 82 HG LEU 11 HG LEU 11 1.690 -7.738 3.633 83 1HD1 LEU 11 HD11 LEU 11 0.204 -9.142 4.914 84 2HD1 LEU 11 HD12 LEU 11 0.182 -10.364 3.643 85 3HD1 LEU 11 HD13 LEU 11 -0.586 -8.800 3.375 86 1HD2 LEU 11 HD21 LEU 11 3.420 -9.771 2.978 87 2HD2 LEU 11 HD22 LEU 11 2.342 -10.573 4.120 88 3HD2 LEU 11 HD23 LEU 11 3.217 -9.120 4.604 89 H MET 12 HN MET 12 1.214 -6.045 -0.954 90 HA MET 12 HA MET 12 3.159 -7.335 -2.587 91 1HB MET 12 HB2 MET 12 1.945 -4.565 -2.685 92 2HB MET 12 HB1 MET 12 3.073 -5.145 -3.911 93 1HG MET 12 HG2 MET 12 1.033 -7.135 -3.411 94 2HG MET 12 HG1 MET 12 0.291 -5.590 -3.822 95 1HE MET 12 HE1 MET 12 2.715 -8.287 -4.567 96 2HE MET 12 HE2 MET 12 3.869 -7.050 -5.063 97 3HE MET 12 HE3 MET 12 3.181 -8.137 -6.269 98 H TYR 13 HN TYR 13 3.444 -4.887 -0.126 99 HA TYR 13 HA TYR 13 5.305 -3.745 0.728 100 1HB TYR 13 HB2 TYR 13 6.338 -6.398 -0.182 101 2HB TYR 13 HB1 TYR 13 7.513 -5.169 0.285 102 HD1 TYR 13 HD1 TYR 13 4.156 -5.162 1.751 103 HD2 TYR 13 HD2 TYR 13 8.215 -6.472 2.262 104 HE1 TYR 13 HE1 TYR 13 3.703 -5.630 4.142 105 HE2 TYR 13 HE2 TYR 13 7.763 -6.939 4.654 106 HH TYR 13 HH TYR 13 5.040 -7.441 5.943 107 H ASP 14 HN ASP 14 4.985 -2.071 -0.916 108 HA ASP 14 HA ASP 14 7.286 -1.968 -2.806 109 1HB ASP 14 HB2 ASP 14 4.367 -1.447 -3.387 110 2HB ASP 14 HB1 ASP 14 5.650 -0.756 -4.379 111 H CYS 15 HN CYS 15 4.773 -0.232 -1.011 112 HA CYS 15 HA CYS 15 5.402 2.427 -1.490 113 1HB CYS 15 HB2 CYS 15 5.077 1.447 1.349 114 2HB CYS 15 HB1 CYS 15 4.546 2.972 0.644 115 H CYS 16 HN CYS 16 7.168 3.558 -1.391 116 HA CYS 16 HA CYS 16 9.685 2.533 -0.463 117 1HB CYS 16 HB2 CYS 16 9.048 4.388 -2.229 118 2HB CYS 16 HB1 CYS 16 9.148 5.459 -0.836 119 H THR 17 HN THR 17 7.117 4.330 1.047 120 HA THR 17 HA THR 17 8.760 4.456 3.539 121 HB THR 17 HB THR 17 7.337 6.575 4.027 122 HG1 THR 17 HG1 THR 17 6.170 7.283 2.443 123 1HG2 THR 17 HG21 THR 17 9.856 6.219 3.094 124 2HG2 THR 17 HG22 THR 17 9.162 7.806 3.426 125 3HG2 THR 17 HG23 THR 17 9.172 7.175 1.780 126 H GLY 18 HN GLY 18 7.758 2.610 4.413 127 1HA GLY 18 HA2 GLY 18 6.032 1.993 6.040 128 2HA GLY 18 HA1 GLY 18 4.890 2.991 5.139 129 H SER 19 HN SER 19 3.566 0.954 5.198 130 HA SER 19 HA SER 19 4.321 -0.797 2.895 131 1HB SER 19 HB2 SER 19 3.558 -2.740 4.040 132 2HB SER 19 HB1 SER 19 4.556 -1.884 5.212 133 HG SER 19 HG SER 19 2.405 -0.849 5.763 134 H CYS 20 HN CYS 20 2.278 -2.004 2.092 135 HA CYS 20 HA CYS 20 0.380 -0.280 1.052 136 1HB CYS 20 HB2 CYS 20 0.264 -3.185 1.816 137 2HB CYS 20 HB1 CYS 20 -1.197 -2.386 1.238 138 H ARG 21 HN ARG 21 -1.301 0.904 1.922 139 HA ARG 21 HA ARG 21 -2.184 0.161 4.684 140 1HB ARG 21 HB2 ARG 21 -0.848 2.330 4.455 141 2HB ARG 21 HB1 ARG 21 -2.232 2.972 3.572 142 1HG ARG 21 HG2 ARG 21 -3.677 2.704 5.456 143 2HG ARG 21 HG1 ARG 21 -2.499 1.708 6.306 144 1HD ARG 21 HD2 ARG 21 -1.072 4.017 5.832 145 2HD ARG 21 HD1 ARG 21 -2.695 4.636 6.131 146 HE ARG 21 HE ARG 21 -2.264 2.793 8.176 147 1HH1 ARG 21 HH21 ARG 21 -0.682 5.591 6.913 148 2HH1 ARG 21 HH22 ARG 21 0.005 6.050 8.435 149 1HH2 ARG 21 HH11 ARG 21 -1.372 3.382 10.168 150 2HH2 ARG 21 HH12 ARG 21 -0.382 4.799 10.274 151 H SER 22 HN SER 22 -4.326 -0.242 4.870 152 HA SER 22 HA SER 22 -6.540 -0.606 4.168 153 1HB SER 22 HB2 SER 22 -6.152 2.213 3.119 154 2HB SER 22 HB1 SER 22 -7.698 1.432 3.441 155 HG SER 22 HG SER 22 -7.456 1.964 5.452 156 H GLY 23 HN GLY 23 -4.255 -1.144 2.201 157 1HA GLY 23 HA2 GLY 23 -4.613 -2.380 0.130 158 2HA GLY 23 HA1 GLY 23 -6.014 -1.357 -0.192 159 H LYS 24 HN LYS 24 -4.694 1.158 0.431 160 HA LYS 24 HA LYS 24 -3.120 1.398 -2.066 161 1HB LYS 24 HB2 LYS 24 -4.374 3.463 -0.235 162 2HB LYS 24 HB1 LYS 24 -3.384 3.878 -1.637 163 1HG LYS 24 HG2 LYS 24 -4.943 2.962 -3.156 164 2HG LYS 24 HG1 LYS 24 -5.758 2.036 -1.898 165 1HD LYS 24 HD2 LYS 24 -6.808 3.956 -0.999 166 2HD LYS 24 HD1 LYS 24 -5.693 5.052 -1.813 167 1HE LYS 24 HE2 LYS 24 -7.082 5.185 -3.575 168 2HE LYS 24 HE1 LYS 24 -6.986 3.438 -3.798 169 1HZ LYS 24 HZ1 LYS 24 -8.822 3.085 -2.446 170 2HZ LYS 24 HZ2 LYS 24 -9.261 4.468 -3.327 171 3HZ LYS 24 HZ3 LYS 24 -8.725 4.615 -1.722 172 1H CYS 25 H1 CYS 25 1.914 3.410 1.532 173 H CYS 25 HN CYS 25 -1.093 2.713 -2.012 174 HA CYS 25 HA CYS 25 0.668 1.826 0.067 175 1HB CYS 25 HB2 CYS 25 0.878 3.487 -2.332 176 2HB CYS 25 HB1 CYS 25 1.896 4.073 -1.021 Start of MODEL 6 1 2H CYS 1 HT2 CYS 1 11.545 2.139 -5.443 2 3H CYS 1 HT3 CYS 1 10.708 3.579 -5.784 3 HA CYS 1 HA CYS 1 9.269 1.182 -4.836 4 1HB CYS 1 HB2 CYS 1 9.440 2.469 -2.565 5 2HB CYS 1 HB1 CYS 1 10.767 1.415 -3.053 6 H LYS 2 HN LYS 2 7.137 1.742 -4.233 7 HA LYS 2 HA LYS 2 6.088 4.120 -5.511 8 1HB LYS 2 HB2 LYS 2 4.967 1.779 -4.054 9 2HB LYS 2 HB1 LYS 2 3.968 3.231 -4.151 10 1HG LYS 2 HG2 LYS 2 3.592 1.664 -6.065 11 2HG LYS 2 HG1 LYS 2 4.159 3.255 -6.571 12 1HD LYS 2 HD2 LYS 2 6.325 1.353 -5.990 13 2HD LYS 2 HD1 LYS 2 5.301 0.881 -7.339 14 1HE LYS 2 HE2 LYS 2 6.894 3.423 -7.024 15 2HE LYS 2 HE1 LYS 2 6.996 2.225 -8.313 16 1HZ LYS 2 HZ1 LYS 2 5.118 4.400 -7.953 17 2HZ LYS 2 HZ2 LYS 2 4.430 2.933 -8.466 18 3HZ LYS 2 HZ3 LYS 2 5.665 3.661 -9.377 19 H GLY 3 HN GLY 3 4.822 5.781 -4.367 20 1HA GLY 3 HA2 GLY 3 6.038 6.411 -1.726 21 2HA GLY 3 HA1 GLY 3 5.239 7.575 -2.783 22 H LYS 4 HN LYS 4 4.582 7.221 -0.003 23 HA LYS 4 HA LYS 4 2.481 5.551 0.645 24 1HB LYS 4 HB2 LYS 4 3.555 7.908 1.708 25 2HB LYS 4 HB1 LYS 4 1.833 8.233 1.518 26 1HG LYS 4 HG2 LYS 4 1.718 5.726 2.503 27 2HG LYS 4 HG1 LYS 4 3.208 6.268 3.266 28 1HD LYS 4 HD2 LYS 4 1.965 7.348 4.799 29 2HD LYS 4 HD1 LYS 4 1.403 8.419 3.516 30 1HE LYS 4 HE2 LYS 4 -0.422 6.840 2.995 31 2HE LYS 4 HE1 LYS 4 0.137 5.771 4.282 32 1HZ LYS 4 HZ1 LYS 4 -1.557 7.037 5.237 33 2HZ LYS 4 HZ2 LYS 4 -1.018 8.481 4.522 34 3HZ LYS 4 HZ3 LYS 4 -0.131 7.773 5.786 35 H GLY 5 HN GLY 5 0.188 5.817 0.601 36 1HA GLY 5 HA2 GLY 5 -1.836 6.129 -0.548 37 2HA GLY 5 HA1 GLY 5 -1.263 7.772 -0.828 38 H ALA 6 HN ALA 6 0.886 5.453 -2.114 39 HA ALA 6 HA ALA 6 0.155 6.243 -4.828 40 1HB ALA 6 HB1 ALA 6 2.273 4.336 -3.807 41 2HB ALA 6 HB2 ALA 6 2.515 6.032 -4.224 42 3HB ALA 6 HB3 ALA 6 2.110 4.862 -5.482 43 H LYS 7 HN LYS 7 -1.654 4.416 -3.156 44 HA LYS 7 HA LYS 7 -2.989 2.566 -3.510 45 1HB LYS 7 HB2 LYS 7 -2.702 3.885 -5.957 46 2HB LYS 7 HB1 LYS 7 -2.460 2.170 -6.318 47 1HG LYS 7 HG2 LYS 7 -4.518 2.144 -4.485 48 2HG LYS 7 HG1 LYS 7 -4.878 3.558 -5.458 49 1HD LYS 7 HD2 LYS 7 -5.322 2.333 -7.334 50 2HD LYS 7 HD1 LYS 7 -4.034 1.178 -6.993 51 1HE LYS 7 HE2 LYS 7 -5.378 -0.106 -5.572 52 2HE LYS 7 HE1 LYS 7 -6.496 1.226 -5.267 53 1HZ LYS 7 HZ1 LYS 7 -7.760 0.321 -6.834 54 2HZ LYS 7 HZ2 LYS 7 -6.529 -0.732 -7.347 55 3HZ LYS 7 HZ3 LYS 7 -6.613 0.847 -7.966 56 H CYS 8 HN CYS 8 -2.902 0.296 -3.772 57 HA CYS 8 HA CYS 8 -0.794 -1.154 -4.984 58 1HB CYS 8 HB2 CYS 8 0.645 -1.699 -3.144 59 2HB CYS 8 HB1 CYS 8 0.543 0.053 -3.208 60 H SER 9 HN SER 9 -0.543 -3.136 -2.809 61 HA SER 9 HA SER 9 -3.348 -4.170 -2.864 62 1HB SER 9 HB2 SER 9 -0.721 -5.684 -2.892 63 2HB SER 9 HB1 SER 9 -2.311 -6.437 -2.798 64 HG SER 9 HG SER 9 -2.784 -5.653 -4.815 65 H ARG 10 HN ARG 10 -1.606 -6.276 -1.014 66 HA ARG 10 HA ARG 10 -2.242 -4.753 1.479 67 1HB ARG 10 HB2 ARG 10 -2.167 -7.758 1.348 68 2HB ARG 10 HB1 ARG 10 -3.033 -6.721 2.481 69 1HG ARG 10 HG2 ARG 10 -3.674 -6.939 -0.474 70 2HG ARG 10 HG1 ARG 10 -4.546 -7.788 0.802 71 1HD ARG 10 HD2 ARG 10 -4.234 -4.776 0.671 72 2HD ARG 10 HD1 ARG 10 -5.656 -5.651 0.099 73 HE ARG 10 HE ARG 10 -5.350 -6.528 2.708 74 1HH1 ARG 10 HH21 ARG 10 -5.563 -3.473 1.109 75 2HH1 ARG 10 HH22 ARG 10 -6.313 -2.678 2.451 76 1HH2 ARG 10 HH11 ARG 10 -6.329 -5.499 4.465 77 2HH2 ARG 10 HH12 ARG 10 -6.747 -3.822 4.348 78 H LEU 11 HN LEU 11 -0.044 -7.137 0.002 79 HA LEU 11 HA LEU 11 2.129 -6.093 1.707 80 1HB LEU 11 HB2 LEU 11 0.928 -8.810 1.967 81 2HB LEU 11 HB1 LEU 11 2.686 -8.698 2.049 82 HG LEU 11 HG LEU 11 1.803 -6.578 3.630 83 1HD1 LEU 11 HD11 LEU 11 -0.448 -7.971 3.389 84 2HD1 LEU 11 HD12 LEU 11 0.016 -7.260 4.935 85 3HD1 LEU 11 HD13 LEU 11 0.311 -8.972 4.629 86 1HD2 LEU 11 HD21 LEU 11 2.824 -9.360 4.190 87 2HD2 LEU 11 HD22 LEU 11 2.477 -8.244 5.512 88 3HD2 LEU 11 HD23 LEU 11 3.689 -7.828 4.300 89 H MET 12 HN MET 12 2.483 -5.410 -0.666 90 HA MET 12 HA MET 12 3.692 -7.617 -2.262 91 1HB MET 12 HB2 MET 12 2.714 -4.846 -2.958 92 2HB MET 12 HB1 MET 12 3.754 -5.756 -4.054 93 1HG MET 12 HG2 MET 12 2.093 -7.662 -3.887 94 2HG MET 12 HG1 MET 12 1.018 -6.556 -3.032 95 1HE MET 12 HE1 MET 12 0.954 -4.256 -3.665 96 2HE MET 12 HE2 MET 12 -0.165 -4.045 -5.009 97 3HE MET 12 HE3 MET 12 1.520 -3.567 -5.194 98 H TYR 13 HN TYR 13 4.568 -5.180 -0.116 99 HA TYR 13 HA TYR 13 6.659 -4.305 0.487 100 1HB TYR 13 HB2 TYR 13 7.997 -6.158 -1.460 101 2HB TYR 13 HB1 TYR 13 8.520 -5.669 0.151 102 HD1 TYR 13 HD1 TYR 13 6.977 -6.400 2.136 103 HD2 TYR 13 HD2 TYR 13 6.939 -8.220 -1.753 104 HE1 TYR 13 HE1 TYR 13 5.918 -8.426 3.095 105 HE2 TYR 13 HE2 TYR 13 5.880 -10.246 -0.796 106 HH TYR 13 HH TYR 13 5.577 -11.359 1.273 107 H ASP 14 HN ASP 14 5.369 -2.766 -1.318 108 HA ASP 14 HA ASP 14 7.542 -1.997 -3.223 109 1HB ASP 14 HB2 ASP 14 5.496 -1.044 -4.576 110 2HB ASP 14 HB1 ASP 14 5.909 -2.754 -4.704 111 H CYS 15 HN CYS 15 5.612 -1.067 -0.597 112 HA CYS 15 HA CYS 15 5.363 1.753 -1.233 113 1HB CYS 15 HB2 CYS 15 5.316 0.376 1.463 114 2HB CYS 15 HB1 CYS 15 4.812 2.034 1.135 115 H CYS 16 HN CYS 16 6.936 3.118 -1.331 116 HA CYS 16 HA CYS 16 9.632 2.556 -0.513 117 1HB CYS 16 HB2 CYS 16 8.676 4.163 -2.343 118 2HB CYS 16 HB1 CYS 16 8.604 5.324 -1.024 119 H THR 17 HN THR 17 6.912 3.710 1.242 120 HA THR 17 HA THR 17 8.767 4.755 3.346 121 HB THR 17 HB THR 17 7.115 6.368 3.979 122 HG1 THR 17 HG1 THR 17 5.069 6.224 3.380 123 1HG2 THR 17 HG21 THR 17 7.018 7.723 2.024 124 2HG2 THR 17 HG22 THR 17 7.002 6.317 0.961 125 3HG2 THR 17 HG23 THR 17 8.471 6.740 1.840 126 H GLY 18 HN GLY 18 6.859 2.131 2.711 127 1HA GLY 18 HA2 GLY 18 6.923 1.088 5.307 128 2HA GLY 18 HA1 GLY 18 5.388 1.945 5.201 129 H SER 19 HN SER 19 3.763 0.560 4.759 130 HA SER 19 HA SER 19 4.239 -1.542 2.692 131 1HB SER 19 HB2 SER 19 3.929 -2.065 5.405 132 2HB SER 19 HB1 SER 19 2.315 -2.322 4.750 133 HG SER 19 HG SER 19 3.431 -3.600 3.087 134 H CYS 20 HN CYS 20 1.622 -2.598 2.770 135 HA CYS 20 HA CYS 20 0.191 -0.448 1.371 136 1HB CYS 20 HB2 CYS 20 -0.167 -3.409 1.689 137 2HB CYS 20 HB1 CYS 20 -1.526 -2.428 1.142 138 H ARG 21 HN ARG 21 -1.401 0.750 2.269 139 HA ARG 21 HA ARG 21 -2.765 -0.300 4.708 140 1HB ARG 21 HB2 ARG 21 -0.972 1.788 4.754 141 2HB ARG 21 HB1 ARG 21 -2.509 2.628 4.554 142 1HG ARG 21 HG2 ARG 21 -2.856 0.534 6.481 143 2HG ARG 21 HG1 ARG 21 -1.444 1.489 6.933 144 1HD ARG 21 HD2 ARG 21 -3.116 2.749 7.926 145 2HD ARG 21 HD1 ARG 21 -3.047 3.520 6.340 146 HE ARG 21 HE ARG 21 -4.914 1.511 5.997 147 1HH1 ARG 21 HH21 ARG 21 -4.420 4.087 8.248 148 2HH1 ARG 21 HH22 ARG 21 -6.109 4.325 8.543 149 1HH2 ARG 21 HH11 ARG 21 -7.119 1.814 6.376 150 2HH2 ARG 21 HH12 ARG 21 -7.635 3.040 7.485 151 H SER 22 HN SER 22 -4.981 0.102 4.754 152 HA SER 22 HA SER 22 -7.084 0.436 3.744 153 1HB SER 22 HB2 SER 22 -6.371 2.764 4.468 154 2HB SER 22 HB1 SER 22 -5.814 3.026 2.818 155 HG SER 22 HG SER 22 -8.122 2.145 2.395 156 H GLY 23 HN GLY 23 -4.817 -0.738 2.070 157 1HA GLY 23 HA2 GLY 23 -5.084 -1.731 -0.110 158 2HA GLY 23 HA1 GLY 23 -6.225 -0.453 -0.524 159 H LYS 24 HN LYS 24 -4.487 1.706 0.441 160 HA LYS 24 HA LYS 24 -2.675 1.781 -1.901 161 1HB LYS 24 HB2 LYS 24 -3.351 4.019 0.025 162 2HB LYS 24 HB1 LYS 24 -2.595 4.170 -1.562 163 1HG LYS 24 HG2 LYS 24 -4.580 4.045 -2.644 164 2HG LYS 24 HG1 LYS 24 -5.152 2.727 -1.620 165 1HD LYS 24 HD2 LYS 24 -5.726 4.294 0.155 166 2HD LYS 24 HD1 LYS 24 -5.049 5.635 -0.771 167 1HE LYS 24 HE2 LYS 24 -7.371 5.768 -1.199 168 2HE LYS 24 HE1 LYS 24 -6.724 4.947 -2.619 169 1HZ LYS 24 HZ1 LYS 24 -8.766 3.974 -1.386 170 2HZ LYS 24 HZ2 LYS 24 -7.607 3.364 -0.305 171 3HZ LYS 24 HZ3 LYS 24 -7.551 2.931 -1.946 172 1H CYS 25 H1 CYS 25 2.427 2.776 2.150 173 H CYS 25 HN CYS 25 -0.532 3.002 -1.457 174 HA CYS 25 HA CYS 25 0.963 1.480 0.484 175 1HB CYS 25 HB2 CYS 25 1.520 3.567 -1.530 176 2HB CYS 25 HB1 CYS 25 2.604 3.581 -0.139 Start of MODEL 7 1 2H CYS 1 HT2 CYS 1 10.869 3.474 -6.091 2 3H CYS 1 HT3 CYS 1 10.590 1.900 -6.668 3 HA CYS 1 HA CYS 1 9.447 1.245 -4.824 4 1HB CYS 1 HB2 CYS 1 9.730 2.676 -2.662 5 2HB CYS 1 HB1 CYS 1 11.015 1.552 -3.106 6 H LYS 2 HN LYS 2 7.353 1.929 -4.295 7 HA LYS 2 HA LYS 2 6.454 4.368 -5.637 8 1HB LYS 2 HB2 LYS 2 5.150 2.039 -4.276 9 2HB LYS 2 HB1 LYS 2 4.215 3.514 -4.514 10 1HG LYS 2 HG2 LYS 2 3.925 1.966 -6.415 11 2HG LYS 2 HG1 LYS 2 4.726 3.451 -6.927 12 1HD LYS 2 HD2 LYS 2 6.839 2.406 -7.063 13 2HD LYS 2 HD1 LYS 2 6.319 1.033 -6.086 14 1HE LYS 2 HE2 LYS 2 6.281 0.153 -8.263 15 2HE LYS 2 HE1 LYS 2 4.601 0.624 -8.008 16 1HZ LYS 2 HZ1 LYS 2 5.392 2.860 -8.997 17 2HZ LYS 2 HZ2 LYS 2 5.070 1.558 -10.040 18 3HZ LYS 2 HZ3 LYS 2 6.673 1.943 -9.628 19 H GLY 3 HN GLY 3 5.188 6.037 -4.512 20 1HA GLY 3 HA2 GLY 3 6.315 6.610 -1.839 21 2HA GLY 3 HA1 GLY 3 5.382 7.734 -2.830 22 H LYS 4 HN LYS 4 4.776 7.317 -0.075 23 HA LYS 4 HA LYS 4 2.828 5.383 0.467 24 1HB LYS 4 HB2 LYS 4 2.358 6.619 2.369 25 2HB LYS 4 HB1 LYS 4 3.969 7.183 1.979 26 1HG LYS 4 HG2 LYS 4 2.684 8.989 0.566 27 2HG LYS 4 HG1 LYS 4 1.345 8.586 1.636 28 1HD LYS 4 HD2 LYS 4 2.362 10.277 2.861 29 2HD LYS 4 HD1 LYS 4 3.185 8.861 3.521 30 1HE LYS 4 HE2 LYS 4 4.747 9.409 1.347 31 2HE LYS 4 HE1 LYS 4 4.246 11.031 1.823 32 1HZ LYS 4 HZ1 LYS 4 6.306 10.159 2.924 33 2HZ LYS 4 HZ2 LYS 4 5.316 9.051 3.748 34 3HZ LYS 4 HZ3 LYS 4 5.103 10.721 3.978 35 H GLY 5 HN GLY 5 0.506 5.571 0.514 36 1HA GLY 5 HA2 GLY 5 -1.585 6.076 -0.429 37 2HA GLY 5 HA1 GLY 5 -0.949 7.688 -0.751 38 H ALA 6 HN ALA 6 1.092 5.405 -2.146 39 HA ALA 6 HA ALA 6 0.182 6.131 -4.824 40 1HB ALA 6 HB1 ALA 6 2.579 5.947 -4.330 41 2HB ALA 6 HB2 ALA 6 2.116 4.787 -5.577 42 3HB ALA 6 HB3 ALA 6 2.372 4.244 -3.917 43 H LYS 7 HN LYS 7 -1.588 4.370 -3.104 44 HA LYS 7 HA LYS 7 -2.924 2.505 -3.361 45 1HB LYS 7 HB2 LYS 7 -2.636 3.712 -5.879 46 2HB LYS 7 HB1 LYS 7 -2.467 1.973 -6.149 47 1HG LYS 7 HG2 LYS 7 -4.503 2.143 -4.284 48 2HG LYS 7 HG1 LYS 7 -4.820 3.497 -5.353 49 1HD LYS 7 HD2 LYS 7 -4.266 0.707 -6.377 50 2HD LYS 7 HD1 LYS 7 -5.894 1.306 -6.063 51 1HE LYS 7 HE2 LYS 7 -3.893 2.326 -8.082 52 2HE LYS 7 HE1 LYS 7 -5.526 1.730 -8.371 53 1HZ LYS 7 HZ1 LYS 7 -4.716 4.264 -7.070 54 2HZ LYS 7 HZ2 LYS 7 -6.295 3.647 -6.964 55 3HZ LYS 7 HZ3 LYS 7 -5.644 4.062 -8.477 56 H CYS 8 HN CYS 8 -2.888 0.208 -3.678 57 HA CYS 8 HA CYS 8 -0.710 -1.233 -4.798 58 1HB CYS 8 HB2 CYS 8 0.603 -1.832 -2.902 59 2HB CYS 8 HB1 CYS 8 0.471 -0.080 -2.860 60 H SER 9 HN SER 9 -0.623 -3.391 -2.913 61 HA SER 9 HA SER 9 -3.436 -4.345 -3.170 62 1HB SER 9 HB2 SER 9 -2.104 -5.829 -4.397 63 2HB SER 9 HB1 SER 9 -0.772 -5.725 -3.251 64 HG SER 9 HG SER 9 -2.934 -7.378 -3.280 65 H ARG 10 HN ARG 10 -1.299 -6.151 -1.181 66 HA ARG 10 HA ARG 10 -2.379 -4.880 1.279 67 1HB ARG 10 HB2 ARG 10 -3.666 -7.022 0.352 68 2HB ARG 10 HB1 ARG 10 -2.343 -7.866 1.159 69 1HG ARG 10 HG2 ARG 10 -2.918 -6.196 3.135 70 2HG ARG 10 HG1 ARG 10 -4.491 -6.145 2.338 71 1HD ARG 10 HD2 ARG 10 -4.206 -8.777 2.314 72 2HD ARG 10 HD1 ARG 10 -3.112 -8.453 3.659 73 HE ARG 10 HE ARG 10 -5.380 -7.014 4.315 74 1HH1 ARG 10 HH21 ARG 10 -4.683 -10.268 3.384 75 2HH1 ARG 10 HH22 ARG 10 -5.984 -10.944 4.306 76 1HH2 ARG 10 HH11 ARG 10 -7.078 -7.889 5.518 77 2HH2 ARG 10 HH12 ARG 10 -7.336 -9.602 5.512 78 H LEU 11 HN LEU 11 -0.166 -7.348 -0.058 79 HA LEU 11 HA LEU 11 1.836 -6.460 1.956 80 1HB LEU 11 HB2 LEU 11 0.666 -9.183 1.645 81 2HB LEU 11 HB1 LEU 11 2.403 -9.085 1.942 82 HG LEU 11 HG LEU 11 1.334 -7.247 3.733 83 1HD1 LEU 11 HD11 LEU 11 -0.447 -8.447 4.905 84 2HD1 LEU 11 HD12 LEU 11 -0.367 -9.759 3.729 85 3HD1 LEU 11 HD13 LEU 11 -0.927 -8.162 3.232 86 1HD2 LEU 11 HD21 LEU 11 2.148 -10.149 4.049 87 2HD2 LEU 11 HD22 LEU 11 1.869 -9.071 5.416 88 3HD2 LEU 11 HD23 LEU 11 3.164 -8.724 4.269 89 H MET 12 HN MET 12 1.684 -5.835 -0.843 90 HA MET 12 HA MET 12 3.509 -7.618 -2.272 91 1HB MET 12 HB2 MET 12 2.411 -4.865 -2.905 92 2HB MET 12 HB1 MET 12 3.484 -5.757 -3.986 93 1HG MET 12 HG2 MET 12 1.078 -7.183 -2.942 94 2HG MET 12 HG1 MET 12 0.828 -5.957 -4.185 95 1HE MET 12 HE1 MET 12 0.590 -8.982 -6.445 96 2HE MET 12 HE2 MET 12 -0.043 -7.404 -5.988 97 3HE MET 12 HE3 MET 12 -0.092 -8.731 -4.833 98 H TYR 13 HN TYR 13 3.783 -4.869 -0.184 99 HA TYR 13 HA TYR 13 5.664 -3.740 0.637 100 1HB TYR 13 HB2 TYR 13 6.937 -6.250 -0.465 101 2HB TYR 13 HB1 TYR 13 7.867 -5.007 0.371 102 HD1 TYR 13 HD1 TYR 13 6.501 -4.122 2.602 103 HD2 TYR 13 HD2 TYR 13 6.321 -8.047 0.869 104 HE1 TYR 13 HE1 TYR 13 5.785 -5.054 4.784 105 HE2 TYR 13 HE2 TYR 13 5.607 -8.979 3.049 106 HH TYR 13 HH TYR 13 5.140 -6.867 5.888 107 H ASP 14 HN ASP 14 5.064 -2.202 -1.183 108 HA ASP 14 HA ASP 14 7.406 -1.936 -3.012 109 1HB ASP 14 HB2 ASP 14 5.409 -0.829 -4.510 110 2HB ASP 14 HB1 ASP 14 5.989 -2.480 -4.714 111 H CYS 15 HN CYS 15 5.960 -0.648 -0.466 112 HA CYS 15 HA CYS 15 5.754 2.142 -1.397 113 1HB CYS 15 HB2 CYS 15 5.676 1.150 1.460 114 2HB CYS 15 HB1 CYS 15 5.018 2.655 0.813 115 H CYS 16 HN CYS 16 7.374 3.478 -1.439 116 HA CYS 16 HA CYS 16 10.043 2.749 -0.700 117 1HB CYS 16 HB2 CYS 16 9.079 4.499 -2.421 118 2HB CYS 16 HB1 CYS 16 9.180 5.593 -1.047 119 H THR 17 HN THR 17 7.429 4.282 1.019 120 HA THR 17 HA THR 17 9.075 4.306 3.463 121 HB THR 17 HB THR 17 9.574 6.520 2.708 122 HG1 THR 17 HG1 THR 17 8.594 7.717 4.301 123 1HG2 THR 17 HG21 THR 17 6.941 7.652 2.425 124 2HG2 THR 17 HG22 THR 17 7.104 6.259 1.356 125 3HG2 THR 17 HG23 THR 17 8.250 7.595 1.246 126 H GLY 18 HN GLY 18 7.318 2.564 3.645 127 1HA GLY 18 HA2 GLY 18 5.478 2.964 5.573 128 2HA GLY 18 HA1 GLY 18 4.611 3.611 4.179 129 H SER 19 HN SER 19 3.131 1.739 4.815 130 HA SER 19 HA SER 19 3.943 -0.654 3.239 131 1HB SER 19 HB2 SER 19 4.279 -1.116 5.680 132 2HB SER 19 HB1 SER 19 2.570 -0.782 5.942 133 HG SER 19 HG SER 19 2.929 -3.003 5.647 134 H CYS 20 HN CYS 20 2.011 -1.942 2.559 135 HA CYS 20 HA CYS 20 -0.010 -0.374 1.404 136 1HB CYS 20 HB2 CYS 20 0.207 -3.280 2.097 137 2HB CYS 20 HB1 CYS 20 -1.353 -2.654 1.567 138 H ARG 21 HN ARG 21 -1.751 0.667 2.265 139 HA ARG 21 HA ARG 21 -2.878 -0.332 4.831 140 1HB ARG 21 HB2 ARG 21 -1.324 1.473 5.412 141 2HB ARG 21 HB1 ARG 21 -2.107 2.544 4.251 142 1HG ARG 21 HG2 ARG 21 -3.598 3.137 5.823 143 2HG ARG 21 HG1 ARG 21 -4.145 1.462 5.918 144 1HD ARG 21 HD2 ARG 21 -3.417 2.174 8.129 145 2HD ARG 21 HD1 ARG 21 -2.271 0.988 7.502 146 HE ARG 21 HE ARG 21 -1.195 3.419 6.725 147 1HH1 ARG 21 HH21 ARG 21 -2.304 2.012 9.677 148 2HH1 ARG 21 HH22 ARG 21 -1.186 2.891 10.665 149 1HH2 ARG 21 HH11 ARG 21 0.264 4.571 8.004 150 2HH2 ARG 21 HH12 ARG 21 0.265 4.339 9.720 151 H SER 22 HN SER 22 -5.024 -0.593 4.552 152 HA SER 22 HA SER 22 -7.216 -0.256 3.789 153 1HB SER 22 HB2 SER 22 -6.184 2.282 4.279 154 2HB SER 22 HB1 SER 22 -6.820 2.400 2.641 155 HG SER 22 HG SER 22 -8.191 1.440 4.941 156 H GLY 23 HN GLY 23 -4.690 -0.730 1.878 157 1HA GLY 23 HA2 GLY 23 -5.077 -1.784 -0.312 158 2HA GLY 23 HA1 GLY 23 -6.361 -0.610 -0.595 159 H LYS 24 HN LYS 24 -3.988 1.136 0.847 160 HA LYS 24 HA LYS 24 -2.686 1.741 -1.764 161 1HB LYS 24 HB2 LYS 24 -2.567 4.019 -0.026 162 2HB LYS 24 HB1 LYS 24 -3.300 3.892 -1.622 163 1HG LYS 24 HG2 LYS 24 -4.745 2.822 0.789 164 2HG LYS 24 HG1 LYS 24 -4.789 4.536 0.402 165 1HD LYS 24 HD2 LYS 24 -5.360 2.545 -1.762 166 2HD LYS 24 HD1 LYS 24 -6.624 2.937 -0.597 167 1HE LYS 24 HE2 LYS 24 -5.105 5.165 -1.914 168 2HE LYS 24 HE1 LYS 24 -6.398 4.360 -2.802 169 1HZ LYS 24 HZ1 LYS 24 -7.060 6.351 -1.442 170 2HZ LYS 24 HZ2 LYS 24 -6.761 5.412 -0.058 171 3HZ LYS 24 HZ3 LYS 24 -7.961 4.940 -1.166 172 1H CYS 25 H1 CYS 25 2.659 2.562 1.985 173 H CYS 25 HN CYS 25 -0.590 3.095 -1.316 174 HA CYS 25 HA CYS 25 1.111 1.412 0.327 175 1HB CYS 25 HB2 CYS 25 1.450 3.498 -1.665 176 2HB CYS 25 HB1 CYS 25 2.545 3.731 -0.305 Start of MODEL 8 1 2H CYS 1 HT2 CYS 1 11.007 2.909 -5.844 2 3H CYS 1 HT3 CYS 1 10.640 1.375 -6.472 3 HA CYS 1 HA CYS 1 9.338 0.781 -4.717 4 1HB CYS 1 HB2 CYS 1 9.577 2.245 -2.533 5 2HB CYS 1 HB1 CYS 1 10.720 0.945 -2.857 6 H LYS 2 HN LYS 2 7.415 1.925 -3.673 7 HA LYS 2 HA LYS 2 6.743 4.330 -5.312 8 1HB LYS 2 HB2 LYS 2 5.104 2.089 -4.142 9 2HB LYS 2 HB1 LYS 2 4.341 3.620 -4.569 10 1HG LYS 2 HG2 LYS 2 6.157 2.465 -6.613 11 2HG LYS 2 HG1 LYS 2 4.653 1.586 -6.329 12 1HD LYS 2 HD2 LYS 2 3.642 4.063 -6.421 13 2HD LYS 2 HD1 LYS 2 5.067 4.328 -7.427 14 1HE LYS 2 HE2 LYS 2 4.324 2.927 -9.096 15 2HE LYS 2 HE1 LYS 2 3.457 1.878 -7.971 16 1HZ LYS 2 HZ1 LYS 2 1.604 3.065 -8.194 17 2HZ LYS 2 HZ2 LYS 2 2.330 3.761 -9.563 18 3HZ LYS 2 HZ3 LYS 2 2.415 4.550 -8.060 19 H GLY 3 HN GLY 3 4.591 5.301 -3.858 20 1HA GLY 3 HA2 GLY 3 5.660 5.824 -1.125 21 2HA GLY 3 HA1 GLY 3 5.264 7.188 -2.173 22 H LYS 4 HN LYS 4 3.929 6.726 0.324 23 HA LYS 4 HA LYS 4 1.533 5.299 0.166 24 1HB LYS 4 HB2 LYS 4 0.857 6.523 2.022 25 2HB LYS 4 HB1 LYS 4 2.600 6.645 2.111 26 1HG LYS 4 HG2 LYS 4 2.138 8.785 0.579 27 2HG LYS 4 HG1 LYS 4 0.593 8.724 1.421 28 1HD LYS 4 HD2 LYS 4 1.703 8.790 3.583 29 2HD LYS 4 HD1 LYS 4 3.285 8.687 2.811 30 1HE LYS 4 HE2 LYS 4 3.177 10.971 3.074 31 2HE LYS 4 HE1 LYS 4 2.356 10.845 1.519 32 1HZ LYS 4 HZ1 LYS 4 1.243 11.357 4.178 33 2HZ LYS 4 HZ2 LYS 4 0.291 10.489 3.071 34 3HZ LYS 4 HZ3 LYS 4 0.838 12.051 2.684 35 H GLY 5 HN GLY 5 -0.586 5.938 -0.424 36 1HA GLY 5 HA2 GLY 5 -2.187 7.419 -1.479 37 2HA GLY 5 HA1 GLY 5 -0.837 8.386 -2.089 38 H ALA 6 HN ALA 6 0.693 6.034 -2.905 39 HA ALA 6 HA ALA 6 -0.510 5.661 -5.536 40 1HB ALA 6 HB1 ALA 6 2.092 5.422 -4.413 41 2HB ALA 6 HB2 ALA 6 1.632 5.240 -6.105 42 3HB ALA 6 HB3 ALA 6 1.656 3.833 -5.041 43 H LYS 7 HN LYS 7 -2.484 4.663 -4.752 44 HA LYS 7 HA LYS 7 -3.120 2.571 -3.250 45 1HB LYS 7 HB2 LYS 7 -4.766 1.868 -4.854 46 2HB LYS 7 HB1 LYS 7 -4.569 3.612 -5.036 47 1HG LYS 7 HG2 LYS 7 -2.603 2.488 -6.676 48 2HG LYS 7 HG1 LYS 7 -4.033 1.506 -6.945 49 1HD LYS 7 HD2 LYS 7 -5.329 3.692 -7.217 50 2HD LYS 7 HD1 LYS 7 -3.760 4.493 -7.287 51 1HE LYS 7 HE2 LYS 7 -3.136 2.912 -9.157 52 2HE LYS 7 HE1 LYS 7 -4.812 2.361 -9.163 53 1HZ LYS 7 HZ1 LYS 7 -3.874 5.141 -9.617 54 2HZ LYS 7 HZ2 LYS 7 -5.502 4.663 -9.545 55 3HZ LYS 7 HZ3 LYS 7 -4.500 4.090 -10.791 56 H CYS 8 HN CYS 8 -2.960 0.276 -3.249 57 HA CYS 8 HA CYS 8 -1.262 -1.012 -5.293 58 1HB CYS 8 HB2 CYS 8 0.280 -1.938 -3.575 59 2HB CYS 8 HB1 CYS 8 0.377 -0.180 -3.664 60 H SER 9 HN SER 9 -0.811 -3.411 -3.880 61 HA SER 9 HA SER 9 -3.574 -4.464 -3.802 62 1HB SER 9 HB2 SER 9 -0.883 -5.839 -3.886 63 2HB SER 9 HB1 SER 9 -2.422 -6.691 -3.818 64 HG SER 9 HG SER 9 -2.554 -6.392 -5.884 65 H ARG 10 HN ARG 10 -1.182 -6.193 -2.038 66 HA ARG 10 HA ARG 10 -1.711 -5.017 0.556 67 1HB ARG 10 HB2 ARG 10 -3.873 -6.276 -0.080 68 2HB ARG 10 HB1 ARG 10 -2.927 -7.750 0.134 69 1HG ARG 10 HG2 ARG 10 -3.222 -7.618 2.356 70 2HG ARG 10 HG1 ARG 10 -2.407 -6.055 2.368 71 1HD ARG 10 HD2 ARG 10 -4.468 -5.407 3.180 72 2HD ARG 10 HD1 ARG 10 -4.767 -5.224 1.452 73 HE ARG 10 HE ARG 10 -5.488 -7.841 1.944 74 1HH1 ARG 10 HH21 ARG 10 -6.242 -4.766 3.324 75 2HH1 ARG 10 HH22 ARG 10 -7.847 -5.224 3.785 76 1HH2 ARG 10 HH11 ARG 10 -7.578 -8.446 2.540 77 2HH2 ARG 10 HH12 ARG 10 -8.602 -7.304 3.345 78 H LEU 11 HN LEU 11 0.256 -5.339 1.466 79 HA LEU 11 HA LEU 11 2.077 -6.535 2.359 80 1HB LEU 11 HB2 LEU 11 0.173 -8.456 2.242 81 2HB LEU 11 HB1 LEU 11 1.327 -9.101 1.073 82 HG LEU 11 HG LEU 11 2.629 -8.063 3.475 83 1HD1 LEU 11 HD11 LEU 11 1.312 -10.637 4.068 84 2HD1 LEU 11 HD12 LEU 11 0.225 -9.250 4.046 85 3HD1 LEU 11 HD13 LEU 11 1.620 -9.260 5.126 86 1HD2 LEU 11 HD21 LEU 11 3.783 -10.225 3.328 87 2HD2 LEU 11 HD22 LEU 11 3.683 -9.491 1.728 88 3HD2 LEU 11 HD23 LEU 11 2.587 -10.802 2.165 89 H MET 12 HN MET 12 1.631 -5.585 -0.593 90 HA MET 12 HA MET 12 3.457 -7.234 -2.138 91 1HB MET 12 HB2 MET 12 2.401 -4.425 -2.577 92 2HB MET 12 HB1 MET 12 3.383 -5.306 -3.748 93 1HG MET 12 HG2 MET 12 0.751 -6.314 -2.634 94 2HG MET 12 HG1 MET 12 0.924 -5.497 -4.186 95 1HE MET 12 HE1 MET 12 0.981 -8.241 -2.083 96 2HE MET 12 HE2 MET 12 1.815 -9.614 -2.805 97 3HE MET 12 HE3 MET 12 0.211 -9.166 -3.380 98 H TYR 13 HN TYR 13 3.902 -4.991 0.345 99 HA TYR 13 HA TYR 13 5.753 -3.700 1.037 100 1HB TYR 13 HB2 TYR 13 7.040 -6.210 -0.071 101 2HB TYR 13 HB1 TYR 13 7.899 -5.012 0.894 102 HD1 TYR 13 HD1 TYR 13 6.977 -8.089 1.367 103 HD2 TYR 13 HD2 TYR 13 5.739 -4.241 2.819 104 HE1 TYR 13 HE1 TYR 13 6.125 -9.146 3.441 105 HE2 TYR 13 HE2 TYR 13 4.886 -5.296 4.892 106 HH TYR 13 HH TYR 13 4.037 -7.690 5.521 107 H ASP 14 HN ASP 14 4.960 -2.490 -1.174 108 HA ASP 14 HA ASP 14 7.406 -2.244 -2.877 109 1HB ASP 14 HB2 ASP 14 5.796 -1.274 -4.586 110 2HB ASP 14 HB1 ASP 14 5.575 -2.991 -4.248 111 H CYS 15 HN CYS 15 5.152 -0.637 -0.790 112 HA CYS 15 HA CYS 15 5.597 2.066 -1.614 113 1HB CYS 15 HB2 CYS 15 5.163 1.247 1.255 114 2HB CYS 15 HB1 CYS 15 4.626 2.713 0.432 115 H CYS 16 HN CYS 16 7.323 3.231 -1.539 116 HA CYS 16 HA CYS 16 9.826 2.322 -0.477 117 1HB CYS 16 HB2 CYS 16 9.174 4.080 -2.356 118 2HB CYS 16 HB1 CYS 16 9.295 5.211 -1.014 119 H THR 17 HN THR 17 7.340 4.554 0.716 120 HA THR 17 HA THR 17 8.777 4.564 3.339 121 HB THR 17 HB THR 17 9.104 6.767 2.453 122 HG1 THR 17 HG1 THR 17 7.922 6.390 4.613 123 1HG2 THR 17 HG21 THR 17 7.360 8.080 1.440 124 2HG2 THR 17 HG22 THR 17 6.133 6.899 1.893 125 3HG2 THR 17 HG23 THR 17 7.336 6.495 0.668 126 H GLY 18 HN GLY 18 7.205 2.682 3.574 127 1HA GLY 18 HA2 GLY 18 5.293 2.847 5.389 128 2HA GLY 18 HA1 GLY 18 4.404 3.563 4.044 129 H SER 19 HN SER 19 2.920 1.717 4.232 130 HA SER 19 HA SER 19 3.859 -0.555 2.589 131 1HB SER 19 HB2 SER 19 2.537 -2.032 4.359 132 2HB SER 19 HB1 SER 19 4.242 -1.658 4.590 133 HG SER 19 HG SER 19 3.364 -1.032 6.460 134 H CYS 20 HN CYS 20 1.907 -1.971 2.000 135 HA CYS 20 HA CYS 20 -0.152 -0.376 0.881 136 1HB CYS 20 HB2 CYS 20 0.145 -3.316 1.433 137 2HB CYS 20 HB1 CYS 20 -1.404 -2.690 0.871 138 H ARG 21 HN ARG 21 -1.051 0.985 2.499 139 HA ARG 21 HA ARG 21 -2.462 -0.379 4.744 140 1HB ARG 21 HB2 ARG 21 -0.863 1.557 5.188 141 2HB ARG 21 HB1 ARG 21 -2.038 2.596 4.381 142 1HG ARG 21 HG2 ARG 21 -3.675 1.272 6.095 143 2HG ARG 21 HG1 ARG 21 -2.184 1.290 7.039 144 1HD ARG 21 HD2 ARG 21 -3.782 3.623 6.000 145 2HD ARG 21 HD1 ARG 21 -3.219 3.316 7.643 146 HE ARG 21 HE ARG 21 -0.880 3.564 6.182 147 1HH1 ARG 21 HH21 ARG 21 -3.753 5.427 6.637 148 2HH1 ARG 21 HH22 ARG 21 -2.960 6.947 6.395 149 1HH2 ARG 21 HH11 ARG 21 0.164 5.539 5.866 150 2HH2 ARG 21 HH12 ARG 21 -0.743 7.012 5.963 151 H SER 22 HN SER 22 -4.682 -0.373 4.816 152 HA SER 22 HA SER 22 -6.888 -0.074 4.074 153 1HB SER 22 HB2 SER 22 -6.236 2.323 4.660 154 2HB SER 22 HB1 SER 22 -5.909 2.557 2.945 155 HG SER 22 HG SER 22 -8.347 1.904 4.226 156 H GLY 23 HN GLY 23 -4.667 -1.116 2.245 157 1HA GLY 23 HA2 GLY 23 -4.952 -2.190 0.124 158 2HA GLY 23 HA1 GLY 23 -6.324 -1.133 -0.203 159 H LYS 24 HN LYS 24 -4.373 1.108 0.831 160 HA LYS 24 HA LYS 24 -3.142 1.512 -1.851 161 1HB LYS 24 HB2 LYS 24 -3.935 3.489 0.306 162 2HB LYS 24 HB1 LYS 24 -3.059 3.936 -1.158 163 1HG LYS 24 HG2 LYS 24 -4.885 3.201 -2.558 164 2HG LYS 24 HG1 LYS 24 -5.730 2.512 -1.174 165 1HD LYS 24 HD2 LYS 24 -6.213 4.642 -0.258 166 2HD LYS 24 HD1 LYS 24 -5.016 5.443 -1.276 167 1HE LYS 24 HE2 LYS 24 -7.232 3.973 -2.637 168 2HE LYS 24 HE1 LYS 24 -7.618 5.514 -1.872 169 1HZ LYS 24 HZ1 LYS 24 -6.947 5.805 -4.176 170 2HZ LYS 24 HZ2 LYS 24 -5.451 5.063 -3.854 171 3HZ LYS 24 HZ3 LYS 24 -5.841 6.549 -3.129 172 1H CYS 25 H1 CYS 25 2.364 2.727 1.495 173 H CYS 25 HN CYS 25 -1.052 2.940 -1.677 174 HA CYS 25 HA CYS 25 0.813 1.455 -0.028 175 1HB CYS 25 HB2 CYS 25 0.966 3.384 -2.172 176 2HB CYS 25 HB1 CYS 25 2.066 3.839 -0.877 Start of MODEL 9 1 2H CYS 1 HT2 CYS 1 11.137 3.117 -5.691 2 3H CYS 1 HT3 CYS 1 10.592 1.705 -6.463 3 HA CYS 1 HA CYS 1 9.413 0.981 -4.571 4 1HB CYS 1 HB2 CYS 1 9.523 2.591 -2.523 5 2HB CYS 1 HB1 CYS 1 10.827 1.433 -2.755 6 H LYS 2 HN LYS 2 7.545 2.320 -3.411 7 HA LYS 2 HA LYS 2 6.739 4.508 -5.288 8 1HB LYS 2 HB2 LYS 2 5.163 2.205 -4.142 9 2HB LYS 2 HB1 LYS 2 4.356 3.665 -4.717 10 1HG LYS 2 HG2 LYS 2 6.399 2.536 -6.541 11 2HG LYS 2 HG1 LYS 2 4.946 1.560 -6.327 12 1HD LYS 2 HD2 LYS 2 3.628 3.726 -6.737 13 2HD LYS 2 HD1 LYS 2 5.149 4.405 -7.317 14 1HE LYS 2 HE2 LYS 2 4.076 1.789 -8.375 15 2HE LYS 2 HE1 LYS 2 3.609 3.336 -9.080 16 1HZ LYS 2 HZ1 LYS 2 6.456 2.801 -8.646 17 2HZ LYS 2 HZ2 LYS 2 5.702 3.730 -9.851 18 3HZ LYS 2 HZ3 LYS 2 5.687 2.034 -9.948 19 H GLY 3 HN GLY 3 4.464 5.372 -3.997 20 1HA GLY 3 HA2 GLY 3 5.240 5.921 -1.184 21 2HA GLY 3 HA1 GLY 3 5.024 7.299 -2.264 22 H LYS 4 HN LYS 4 3.413 6.932 0.028 23 HA LYS 4 HA LYS 4 1.020 5.610 -0.098 24 1HB LYS 4 HB2 LYS 4 1.973 7.666 1.389 25 2HB LYS 4 HB1 LYS 4 0.714 8.492 0.483 26 1HG LYS 4 HG2 LYS 4 -0.470 6.109 1.217 27 2HG LYS 4 HG1 LYS 4 0.482 6.531 2.636 28 1HD LYS 4 HD2 LYS 4 -0.591 8.648 2.857 29 2HD LYS 4 HD1 LYS 4 -1.303 8.538 1.248 30 1HE LYS 4 HE2 LYS 4 -3.076 7.370 2.014 31 2HE LYS 4 HE1 LYS 4 -2.042 6.267 2.925 32 1HZ LYS 4 HZ1 LYS 4 -3.471 7.526 4.399 33 2HZ LYS 4 HZ2 LYS 4 -2.864 8.990 3.784 34 3HZ LYS 4 HZ3 LYS 4 -1.848 7.947 4.658 35 H GLY 5 HN GLY 5 -0.979 5.936 -1.072 36 1HA GLY 5 HA2 GLY 5 -2.528 7.058 -2.562 37 2HA GLY 5 HA1 GLY 5 -1.175 7.998 -3.207 38 H ALA 6 HN ALA 6 0.596 5.730 -3.459 39 HA ALA 6 HA ALA 6 -0.342 4.732 -6.037 40 1HB ALA 6 HB1 ALA 6 2.115 5.287 -5.255 41 2HB ALA 6 HB2 ALA 6 1.828 3.934 -6.348 42 3HB ALA 6 HB3 ALA 6 2.073 3.640 -4.626 43 H LYS 7 HN LYS 7 -2.249 3.628 -5.195 44 HA LYS 7 HA LYS 7 -2.644 1.741 -3.333 45 1HB LYS 7 HB2 LYS 7 -4.236 0.676 -4.747 46 2HB LYS 7 HB1 LYS 7 -4.159 2.348 -5.306 47 1HG LYS 7 HG2 LYS 7 -2.180 1.268 -6.795 48 2HG LYS 7 HG1 LYS 7 -3.235 -0.126 -6.633 49 1HD LYS 7 HD2 LYS 7 -4.924 2.077 -7.169 50 2HD LYS 7 HD1 LYS 7 -3.581 2.190 -8.306 51 1HE LYS 7 HE2 LYS 7 -3.984 -0.005 -9.152 52 2HE LYS 7 HE1 LYS 7 -5.073 -0.394 -7.821 53 1HZ LYS 7 HZ1 LYS 7 -5.545 1.272 -10.184 54 2HZ LYS 7 HZ2 LYS 7 -6.361 1.662 -8.746 55 3HZ LYS 7 HZ3 LYS 7 -6.559 0.128 -9.450 56 H CYS 8 HN CYS 8 -2.334 -0.603 -3.153 57 HA CYS 8 HA CYS 8 -0.222 -1.742 -4.895 58 1HB CYS 8 HB2 CYS 8 1.060 -2.517 -2.905 59 2HB CYS 8 HB1 CYS 8 0.989 -0.764 -3.014 60 H SER 9 HN SER 9 0.010 -4.005 -2.862 61 HA SER 9 HA SER 9 -2.564 -5.332 -3.612 62 1HB SER 9 HB2 SER 9 0.070 -6.085 -4.120 63 2HB SER 9 HB1 SER 9 -0.415 -7.113 -2.776 64 HG SER 9 HG SER 9 -2.189 -7.779 -3.982 65 H ARG 10 HN ARG 10 -1.304 -3.866 -1.034 66 HA ARG 10 HA ARG 10 -2.060 -3.931 1.207 67 1HB ARG 10 HB2 ARG 10 -3.829 -5.670 0.014 68 2HB ARG 10 HB1 ARG 10 -3.029 -6.701 1.200 69 1HG ARG 10 HG2 ARG 10 -3.837 -3.985 2.112 70 2HG ARG 10 HG1 ARG 10 -5.131 -5.153 1.840 71 1HD ARG 10 HD2 ARG 10 -3.331 -6.690 3.195 72 2HD ARG 10 HD1 ARG 10 -3.036 -5.114 3.926 73 HE ARG 10 HE ARG 10 -5.805 -5.361 3.928 74 1HH1 ARG 10 HH21 ARG 10 -3.108 -7.200 5.059 75 2HH1 ARG 10 HH22 ARG 10 -3.979 -7.905 6.378 76 1HH2 ARG 10 HH11 ARG 10 -6.946 -6.273 5.648 77 2HH2 ARG 10 HH12 ARG 10 -6.146 -7.380 6.714 78 H LEU 11 HN LEU 11 -0.048 -6.187 -0.374 79 HA LEU 11 HA LEU 11 1.615 -6.432 2.008 80 1HB LEU 11 HB2 LEU 11 -0.176 -8.629 1.153 81 2HB LEU 11 HB1 LEU 11 1.499 -9.096 1.461 82 HG LEU 11 HG LEU 11 0.656 -7.286 3.522 83 1HD1 LEU 11 HD11 LEU 11 -1.536 -8.654 2.543 84 2HD1 LEU 11 HD12 LEU 11 -1.390 -8.002 4.175 85 3HD1 LEU 11 HD13 LEU 11 -0.993 -9.691 3.860 86 1HD2 LEU 11 HD21 LEU 11 1.649 -8.876 4.877 87 2HD2 LEU 11 HD22 LEU 11 2.346 -9.350 3.328 88 3HD2 LEU 11 HD23 LEU 11 0.961 -10.228 3.976 89 H MET 12 HN MET 12 1.632 -5.613 -0.938 90 HA MET 12 HA MET 12 3.545 -7.484 -2.148 91 1HB MET 12 HB2 MET 12 1.795 -5.495 -3.112 92 2HB MET 12 HB1 MET 12 3.421 -4.899 -3.449 93 1HG MET 12 HG2 MET 12 2.736 -6.249 -5.330 94 2HG MET 12 HG1 MET 12 3.955 -7.158 -4.439 95 1HE MET 12 HE1 MET 12 2.522 -10.265 -4.922 96 2HE MET 12 HE2 MET 12 3.192 -9.858 -3.344 97 3HE MET 12 HE3 MET 12 3.860 -9.114 -4.795 98 H TYR 13 HN TYR 13 3.616 -4.654 -0.167 99 HA TYR 13 HA TYR 13 5.411 -3.461 0.756 100 1HB TYR 13 HB2 TYR 13 6.650 -6.055 -0.080 101 2HB TYR 13 HB1 TYR 13 7.714 -4.734 0.402 102 HD1 TYR 13 HD1 TYR 13 6.382 -7.568 1.668 103 HD2 TYR 13 HD2 TYR 13 6.409 -3.359 2.525 104 HE1 TYR 13 HE1 TYR 13 5.895 -8.051 4.050 105 HE2 TYR 13 HE2 TYR 13 5.924 -3.842 4.908 106 HH TYR 13 HH TYR 13 4.863 -6.850 5.994 107 H ASP 14 HN ASP 14 4.775 -2.097 -1.278 108 HA ASP 14 HA ASP 14 7.186 -1.871 -3.035 109 1HB ASP 14 HB2 ASP 14 5.625 -0.767 -4.672 110 2HB ASP 14 HB1 ASP 14 5.267 -2.467 -4.385 111 H CYS 15 HN CYS 15 5.083 -0.321 -0.780 112 HA CYS 15 HA CYS 15 5.559 2.419 -1.455 113 1HB CYS 15 HB2 CYS 15 5.324 1.490 1.401 114 2HB CYS 15 HB1 CYS 15 4.702 2.964 0.659 115 H CYS 16 HN CYS 16 7.306 3.588 -1.344 116 HA CYS 16 HA CYS 16 9.860 2.537 -0.660 117 1HB CYS 16 HB2 CYS 16 9.051 4.627 -2.086 118 2HB CYS 16 HB1 CYS 16 9.314 5.470 -0.568 119 H THR 17 HN THR 17 7.580 4.592 1.131 120 HA THR 17 HA THR 17 9.102 3.932 3.613 121 HB THR 17 HB THR 17 9.672 6.217 3.200 122 HG1 THR 17 HG1 THR 17 9.063 6.016 5.293 123 1HG2 THR 17 HG21 THR 17 8.243 6.954 1.510 124 2HG2 THR 17 HG22 THR 17 7.649 7.855 2.905 125 3HG2 THR 17 HG23 THR 17 6.797 6.410 2.360 126 H GLY 18 HN GLY 18 7.766 2.843 4.963 127 1HA GLY 18 HA2 GLY 18 5.712 2.892 6.340 128 2HA GLY 18 HA1 GLY 18 4.864 3.559 4.944 129 H SER 19 HN SER 19 3.323 1.802 4.991 130 HA SER 19 HA SER 19 4.326 -0.596 3.589 131 1HB SER 19 HB2 SER 19 3.116 -0.631 6.347 132 2HB SER 19 HB1 SER 19 2.916 -2.008 5.266 133 HG SER 19 HG SER 19 4.815 -2.014 6.698 134 H CYS 20 HN CYS 20 2.504 -1.904 2.729 135 HA CYS 20 HA CYS 20 0.548 -0.423 1.394 136 1HB CYS 20 HB2 CYS 20 0.745 -3.292 2.231 137 2HB CYS 20 HB1 CYS 20 -0.779 -2.706 1.569 138 H ARG 21 HN ARG 21 -1.053 0.832 2.263 139 HA ARG 21 HA ARG 21 -2.284 -0.075 4.834 140 1HB ARG 21 HB2 ARG 21 -1.032 2.195 4.706 141 2HB ARG 21 HB1 ARG 21 -2.430 2.748 3.782 142 1HG ARG 21 HG2 ARG 21 -3.919 2.348 5.590 143 2HG ARG 21 HG1 ARG 21 -2.733 1.368 6.453 144 1HD ARG 21 HD2 ARG 21 -2.026 4.202 5.818 145 2HD ARG 21 HD1 ARG 21 -3.162 3.901 7.131 146 HE ARG 21 HE ARG 21 -1.069 2.164 7.658 147 1HH1 ARG 21 HH21 ARG 21 -1.421 5.544 7.036 148 2HH1 ARG 21 HH22 ARG 21 -0.066 5.996 8.012 149 1HH2 ARG 21 HH11 ARG 21 0.695 2.743 8.941 150 2HH2 ARG 21 HH12 ARG 21 1.130 4.412 9.093 151 H SER 22 HN SER 22 -4.481 -0.397 4.862 152 HA SER 22 HA SER 22 -6.603 -0.820 3.934 153 1HB SER 22 HB2 SER 22 -6.357 1.699 2.340 154 2HB SER 22 HB1 SER 22 -7.713 1.111 3.295 155 HG SER 22 HG SER 22 -6.772 1.835 5.103 156 H GLY 23 HN GLY 23 -4.172 -1.694 2.394 157 1HA GLY 23 HA2 GLY 23 -4.095 -3.026 0.409 158 2HA GLY 23 HA1 GLY 23 -5.590 -2.264 -0.132 159 H LYS 24 HN LYS 24 -4.330 0.437 0.583 160 HA LYS 24 HA LYS 24 -2.879 0.702 -1.991 161 1HB LYS 24 HB2 LYS 24 -4.122 2.793 -0.183 162 2HB LYS 24 HB1 LYS 24 -3.268 3.153 -1.682 163 1HG LYS 24 HG2 LYS 24 -4.904 2.073 -3.008 164 2HG LYS 24 HG1 LYS 24 -5.592 1.232 -1.618 165 1HD LYS 24 HD2 LYS 24 -5.612 4.126 -1.253 166 2HD LYS 24 HD1 LYS 24 -6.506 3.640 -2.693 167 1HE LYS 24 HE2 LYS 24 -8.121 2.559 -1.490 168 2HE LYS 24 HE1 LYS 24 -6.973 1.986 -0.279 169 1HZ LYS 24 HZ1 LYS 24 -8.179 4.684 -0.496 170 2HZ LYS 24 HZ2 LYS 24 -6.855 4.341 0.512 171 3HZ LYS 24 HZ3 LYS 24 -8.346 3.571 0.773 172 1H CYS 25 H1 CYS 25 2.038 3.315 1.473 173 H CYS 25 HN CYS 25 -1.013 2.381 -1.940 174 HA CYS 25 HA CYS 25 0.852 1.542 0.123 175 1HB CYS 25 HB2 CYS 25 0.972 3.112 -2.337 176 2HB CYS 25 HB1 CYS 25 1.939 3.827 -1.050 Start of MODEL 10 1 2H CYS 1 HT2 CYS 1 10.190 3.421 -6.239 2 3H CYS 1 HT3 CYS 1 9.867 1.888 -6.897 3 HA CYS 1 HA CYS 1 9.042 1.043 -4.921 4 1HB CYS 1 HB2 CYS 1 9.316 2.596 -2.823 5 2HB CYS 1 HB1 CYS 1 10.639 1.533 -3.299 6 H LYS 2 HN LYS 2 6.955 1.520 -4.131 7 HA LYS 2 HA LYS 2 5.551 3.614 -5.533 8 1HB LYS 2 HB2 LYS 2 4.862 1.485 -3.565 9 2HB LYS 2 HB1 LYS 2 3.751 2.851 -3.694 10 1HG LYS 2 HG2 LYS 2 3.115 1.038 -5.245 11 2HG LYS 2 HG1 LYS 2 3.582 2.496 -6.122 12 1HD LYS 2 HD2 LYS 2 5.949 1.456 -6.201 13 2HD LYS 2 HD1 LYS 2 5.150 -0.055 -5.760 14 1HE LYS 2 HE2 LYS 2 4.287 1.649 -8.108 15 2HE LYS 2 HE1 LYS 2 5.429 0.313 -8.253 16 1HZ LYS 2 HZ1 LYS 2 3.277 -0.520 -8.736 17 2HZ LYS 2 HZ2 LYS 2 2.610 0.182 -7.340 18 3HZ LYS 2 HZ3 LYS 2 3.700 -1.113 -7.204 19 H GLY 3 HN GLY 3 4.322 5.354 -4.454 20 1HA GLY 3 HA2 GLY 3 5.855 6.444 -2.138 21 2HA GLY 3 HA1 GLY 3 4.933 7.421 -3.281 22 H LYS 4 HN LYS 4 4.421 7.804 -0.609 23 HA LYS 4 HA LYS 4 2.468 6.166 0.596 24 1HB LYS 4 HB2 LYS 4 3.650 8.611 1.185 25 2HB LYS 4 HB1 LYS 4 1.943 9.010 0.996 26 1HG LYS 4 HG2 LYS 4 2.059 6.573 2.434 27 2HG LYS 4 HG1 LYS 4 3.231 7.658 3.178 28 1HD LYS 4 HD2 LYS 4 1.554 9.370 3.488 29 2HD LYS 4 HD1 LYS 4 0.374 8.447 2.556 30 1HE LYS 4 HE2 LYS 4 -0.293 7.498 4.490 31 2HE LYS 4 HE1 LYS 4 1.271 6.684 4.552 32 1HZ LYS 4 HZ1 LYS 4 1.689 7.863 6.365 33 2HZ LYS 4 HZ2 LYS 4 0.290 8.806 6.162 34 3HZ LYS 4 HZ3 LYS 4 1.739 9.258 5.400 35 H GLY 5 HN GLY 5 0.124 6.645 0.797 36 1HA GLY 5 HA2 GLY 5 -1.950 6.658 -0.335 37 2HA GLY 5 HA1 GLY 5 -1.443 8.282 -0.792 38 H ALA 6 HN ALA 6 0.444 5.540 -1.834 39 HA ALA 6 HA ALA 6 -0.021 6.264 -4.620 40 1HB ALA 6 HB1 ALA 6 1.499 4.207 -4.988 41 2HB ALA 6 HB2 ALA 6 1.673 4.198 -3.232 42 3HB ALA 6 HB3 ALA 6 2.195 5.602 -4.162 43 H LYS 7 HN LYS 7 -2.244 4.982 -2.923 44 HA LYS 7 HA LYS 7 -3.780 3.178 -3.083 45 1HB LYS 7 HB2 LYS 7 -4.854 3.209 -5.299 46 2HB LYS 7 HB1 LYS 7 -4.468 4.858 -4.793 47 1HG LYS 7 HG2 LYS 7 -2.386 4.777 -6.085 48 2HG LYS 7 HG1 LYS 7 -2.748 3.135 -6.581 49 1HD LYS 7 HD2 LYS 7 -4.537 3.795 -7.953 50 2HD LYS 7 HD1 LYS 7 -4.731 5.334 -7.112 51 1HE LYS 7 HE2 LYS 7 -2.150 4.774 -8.531 52 2HE LYS 7 HE1 LYS 7 -3.558 5.258 -9.477 53 1HZ LYS 7 HZ1 LYS 7 -3.724 7.075 -7.626 54 2HZ LYS 7 HZ2 LYS 7 -2.683 7.282 -8.953 55 3HZ LYS 7 HZ3 LYS 7 -2.064 6.768 -7.456 56 H CYS 8 HN CYS 8 -1.234 2.170 -2.982 57 HA CYS 8 HA CYS 8 -0.561 0.395 -5.145 58 1HB CYS 8 HB2 CYS 8 1.056 -0.552 -3.622 59 2HB CYS 8 HB1 CYS 8 1.018 1.187 -3.338 60 H SER 9 HN SER 9 -0.162 -1.983 -3.397 61 HA SER 9 HA SER 9 -2.960 -3.012 -3.540 62 1HB SER 9 HB2 SER 9 -0.802 -4.016 -4.782 63 2HB SER 9 HB1 SER 9 -0.630 -4.850 -3.241 64 HG SER 9 HG SER 9 -3.050 -5.215 -3.634 65 H ARG 10 HN ARG 10 -1.820 -5.386 -1.915 66 HA ARG 10 HA ARG 10 -1.761 -4.070 0.750 67 1HB ARG 10 HB2 ARG 10 -4.050 -4.903 0.338 68 2HB ARG 10 HB1 ARG 10 -3.403 -6.507 -0.010 69 1HG ARG 10 HG2 ARG 10 -2.798 -6.894 2.211 70 2HG ARG 10 HG1 ARG 10 -2.719 -5.173 2.592 71 1HD ARG 10 HD2 ARG 10 -4.771 -5.469 3.510 72 2HD ARG 10 HD1 ARG 10 -5.354 -5.483 1.845 73 HE ARG 10 HE ARG 10 -4.622 -8.110 2.291 74 1HH1 ARG 10 HH21 ARG 10 -6.591 -5.778 3.909 75 2HH1 ARG 10 HH22 ARG 10 -7.698 -6.955 4.531 76 1HH2 ARG 10 HH11 ARG 10 -6.060 -9.653 3.100 77 2HH2 ARG 10 HH12 ARG 10 -7.400 -9.144 4.075 78 H LEU 11 HN LEU 11 0.115 -4.649 1.650 79 HA LEU 11 HA LEU 11 1.934 -5.943 2.348 80 1HB LEU 11 HB2 LEU 11 -0.091 -8.084 1.690 81 2HB LEU 11 HB1 LEU 11 1.520 -8.481 2.275 82 HG LEU 11 HG LEU 11 -0.540 -8.118 3.942 83 1HD1 LEU 11 HD11 LEU 11 1.448 -7.024 5.464 84 2HD1 LEU 11 HD12 LEU 11 2.376 -7.724 4.138 85 3HD1 LEU 11 HD13 LEU 11 1.309 -8.744 5.105 86 1HD2 LEU 11 HD21 LEU 11 0.659 -5.348 3.636 87 2HD2 LEU 11 HD22 LEU 11 -0.444 -5.842 4.921 88 3HD2 LEU 11 HD23 LEU 11 -1.001 -5.807 3.248 89 H MET 12 HN MET 12 2.097 -4.890 -0.216 90 HA MET 12 HA MET 12 3.132 -7.111 -1.906 91 1HB MET 12 HB2 MET 12 2.119 -4.363 -2.419 92 2HB MET 12 HB1 MET 12 3.430 -4.919 -3.457 93 1HG MET 12 HG2 MET 12 1.095 -6.735 -2.947 94 2HG MET 12 HG1 MET 12 0.933 -5.429 -4.122 95 1HE MET 12 HE1 MET 12 1.297 -5.422 -6.068 96 2HE MET 12 HE2 MET 12 0.973 -7.050 -6.659 97 3HE MET 12 HE3 MET 12 2.481 -6.248 -7.089 98 H TYR 13 HN TYR 13 4.224 -4.933 0.386 99 HA TYR 13 HA TYR 13 6.356 -4.157 0.974 100 1HB TYR 13 HB2 TYR 13 7.361 -6.346 -0.860 101 2HB TYR 13 HB1 TYR 13 8.179 -5.656 0.540 102 HD1 TYR 13 HD1 TYR 13 6.317 -8.399 -0.566 103 HD2 TYR 13 HD2 TYR 13 6.674 -5.734 2.784 104 HE1 TYR 13 HE1 TYR 13 5.246 -10.092 0.894 105 HE2 TYR 13 HE2 TYR 13 5.604 -7.426 4.244 106 HH TYR 13 HH TYR 13 4.258 -9.346 4.152 107 H ASP 14 HN ASP 14 5.293 -2.551 -0.908 108 HA ASP 14 HA ASP 14 7.549 -2.124 -2.825 109 1HB ASP 14 HB2 ASP 14 4.575 -1.761 -3.213 110 2HB ASP 14 HB1 ASP 14 5.764 -1.007 -4.273 111 H CYS 15 HN CYS 15 5.261 -0.703 -0.567 112 HA CYS 15 HA CYS 15 5.502 2.025 -1.051 113 1HB CYS 15 HB2 CYS 15 5.644 0.632 1.639 114 2HB CYS 15 HB1 CYS 15 5.358 2.357 1.412 115 H CYS 16 HN CYS 16 7.130 3.350 -1.250 116 HA CYS 16 HA CYS 16 9.856 2.552 -1.005 117 1HB CYS 16 HB2 CYS 16 8.687 4.460 -2.371 118 2HB CYS 16 HB1 CYS 16 8.989 5.417 -0.928 119 H THR 17 HN THR 17 7.647 4.089 1.268 120 HA THR 17 HA THR 17 9.657 3.720 3.392 121 HB THR 17 HB THR 17 9.951 5.940 3.983 122 HG1 THR 17 HG1 THR 17 8.411 7.552 3.236 123 1HG2 THR 17 HG21 THR 17 9.342 6.160 1.022 124 2HG2 THR 17 HG22 THR 17 10.866 5.588 1.704 125 3HG2 THR 17 HG23 THR 17 10.356 7.257 1.960 126 H GLY 18 HN GLY 18 6.990 2.643 2.733 127 1HA GLY 18 HA2 GLY 18 5.765 3.098 5.370 128 2HA GLY 18 HA1 GLY 18 4.775 3.578 3.992 129 H SER 19 HN SER 19 3.274 1.870 4.718 130 HA SER 19 HA SER 19 4.110 -0.787 3.640 131 1HB SER 19 HB2 SER 19 2.174 -0.940 5.837 132 2HB SER 19 HB1 SER 19 3.638 -1.880 5.567 133 HG SER 19 HG SER 19 3.267 0.078 7.284 134 H CYS 20 HN CYS 20 2.727 -1.366 2.040 135 HA CYS 20 HA CYS 20 0.560 0.052 1.086 136 1HB CYS 20 HB2 CYS 20 1.295 -2.841 1.012 137 2HB CYS 20 HB1 CYS 20 -0.339 -2.408 0.503 138 H ARG 21 HN ARG 21 -0.868 0.896 2.646 139 HA ARG 21 HA ARG 21 -2.350 -1.109 4.290 140 1HB ARG 21 HB2 ARG 21 -0.980 0.848 5.356 141 2HB ARG 21 HB1 ARG 21 -2.337 1.847 4.840 142 1HG ARG 21 HG2 ARG 21 -3.407 1.202 6.702 143 2HG ARG 21 HG1 ARG 21 -3.510 -0.414 6.008 144 1HD ARG 21 HD2 ARG 21 -1.767 -1.218 7.271 145 2HD ARG 21 HD1 ARG 21 -0.927 0.331 7.284 146 HE ARG 21 HE ARG 21 -3.166 0.799 8.835 147 1HH1 ARG 21 HH21 ARG 21 -0.653 -1.570 8.756 148 2HH1 ARG 21 HH22 ARG 21 -0.660 -1.822 10.469 149 1HH2 ARG 21 HH11 ARG 21 -3.184 0.476 11.070 150 2HH2 ARG 21 HH12 ARG 21 -2.093 -0.667 11.777 151 H SER 22 HN SER 22 -4.572 -1.192 4.051 152 HA SER 22 HA SER 22 -6.605 -0.908 2.886 153 1HB SER 22 HB2 SER 22 -5.989 1.399 4.307 154 2HB SER 22 HB1 SER 22 -6.360 2.003 2.695 155 HG SER 22 HG SER 22 -7.958 0.371 4.377 156 H GLY 23 HN GLY 23 -4.014 -0.990 1.327 157 1HA GLY 23 HA2 GLY 23 -3.712 -1.107 -1.034 158 2HA GLY 23 HA1 GLY 23 -5.171 -0.145 -1.250 159 H LYS 24 HN LYS 24 -4.031 1.781 0.865 160 HA LYS 24 HA LYS 24 -2.497 3.355 -1.113 161 1HB LYS 24 HB2 LYS 24 -3.566 4.126 1.612 162 2HB LYS 24 HB1 LYS 24 -2.794 5.223 0.475 163 1HG LYS 24 HG2 LYS 24 -4.608 5.277 -0.931 164 2HG LYS 24 HG1 LYS 24 -5.074 3.617 -0.561 165 1HD LYS 24 HD2 LYS 24 -5.828 4.384 1.701 166 2HD LYS 24 HD1 LYS 24 -5.475 6.043 1.215 167 1HE LYS 24 HE2 LYS 24 -7.284 6.160 -0.192 168 2HE LYS 24 HE1 LYS 24 -7.188 4.454 -0.628 169 1HZ LYS 24 HZ1 LYS 24 -8.555 3.881 1.023 170 2HZ LYS 24 HZ2 LYS 24 -8.989 5.523 1.074 171 3HZ LYS 24 HZ3 LYS 24 -7.814 4.917 2.143 172 1H CYS 25 H1 CYS 25 2.785 3.131 2.513 173 H CYS 25 HN CYS 25 -0.364 3.728 -0.914 174 HA CYS 25 HA CYS 25 1.209 2.147 0.903 175 1HB CYS 25 HB2 CYS 25 1.716 4.037 -1.261 176 2HB CYS 25 HB1 CYS 25 2.885 4.196 0.045 Start of MODEL 11 1 2H CYS 1 HT2 CYS 1 10.689 2.300 -6.497 2 3H CYS 1 HT3 CYS 1 11.788 2.645 -5.248 3 HA CYS 1 HA CYS 1 9.556 1.433 -4.732 4 1HB CYS 1 HB2 CYS 1 9.533 2.882 -2.530 5 2HB CYS 1 HB1 CYS 1 10.911 1.847 -2.886 6 H LYS 2 HN LYS 2 7.409 2.006 -3.896 7 HA LYS 2 HA LYS 2 6.225 4.201 -5.471 8 1HB LYS 2 HB2 LYS 2 5.164 1.850 -3.936 9 2HB LYS 2 HB1 LYS 2 4.088 3.202 -4.287 10 1HG LYS 2 HG2 LYS 2 5.757 1.876 -6.431 11 2HG LYS 2 HG1 LYS 2 4.132 1.323 -6.025 12 1HD LYS 2 HD2 LYS 2 3.204 2.997 -7.206 13 2HD LYS 2 HD1 LYS 2 4.157 4.198 -6.333 14 1HE LYS 2 HE2 LYS 2 4.682 4.306 -8.724 15 2HE LYS 2 HE1 LYS 2 6.085 3.722 -7.830 16 1HZ LYS 2 HZ1 LYS 2 5.937 1.695 -8.750 17 2HZ LYS 2 HZ2 LYS 2 5.067 2.497 -9.969 18 3HZ LYS 2 HZ3 LYS 2 4.241 1.676 -8.732 19 H GLY 3 HN GLY 3 4.577 5.622 -4.341 20 1HA GLY 3 HA2 GLY 3 5.546 6.324 -1.597 21 2HA GLY 3 HA1 GLY 3 5.043 7.536 -2.777 22 H LYS 4 HN LYS 4 3.891 7.066 -0.109 23 HA LYS 4 HA LYS 4 1.563 5.624 0.064 24 1HB LYS 4 HB2 LYS 4 2.646 7.760 1.441 25 2HB LYS 4 HB1 LYS 4 1.090 8.376 0.903 26 1HG LYS 4 HG2 LYS 4 0.356 5.917 1.698 27 2HG LYS 4 HG1 LYS 4 1.708 6.173 2.791 28 1HD LYS 4 HD2 LYS 4 -0.734 7.935 2.463 29 2HD LYS 4 HD1 LYS 4 -0.267 7.014 3.894 30 1HE LYS 4 HE2 LYS 4 0.849 8.833 4.612 31 2HE LYS 4 HE1 LYS 4 1.969 8.604 3.269 32 1HZ LYS 4 HZ1 LYS 4 0.934 10.828 3.323 33 2HZ LYS 4 HZ2 LYS 4 -0.585 10.105 3.082 34 3HZ LYS 4 HZ3 LYS 4 0.616 9.984 1.887 35 H GLY 5 HN GLY 5 -0.563 5.887 -0.576 36 1HA GLY 5 HA2 GLY 5 -2.378 6.969 -1.753 37 2HA GLY 5 HA1 GLY 5 -1.207 8.065 -2.489 38 H ALA 6 HN ALA 6 0.636 5.838 -3.105 39 HA ALA 6 HA ALA 6 -0.395 5.174 -5.717 40 1HB ALA 6 HB1 ALA 6 1.657 3.947 -6.015 41 2HB ALA 6 HB2 ALA 6 1.913 3.847 -4.273 42 3HB ALA 6 HB3 ALA 6 2.059 5.398 -5.097 43 H LYS 7 HN LYS 7 -2.442 4.246 -4.836 44 HA LYS 7 HA LYS 7 -3.073 2.184 -3.284 45 1HB LYS 7 HB2 LYS 7 -4.727 1.434 -4.857 46 2HB LYS 7 HB1 LYS 7 -4.544 3.177 -5.076 47 1HG LYS 7 HG2 LYS 7 -2.589 2.070 -6.718 48 2HG LYS 7 HG1 LYS 7 -3.983 1.026 -6.940 49 1HD LYS 7 HD2 LYS 7 -4.524 2.648 -8.486 50 2HD LYS 7 HD1 LYS 7 -5.259 3.371 -7.055 51 1HE LYS 7 HE2 LYS 7 -3.850 4.992 -8.313 52 2HE LYS 7 HE1 LYS 7 -3.265 4.727 -6.670 53 1HZ LYS 7 HZ1 LYS 7 -1.606 4.648 -8.618 54 2HZ LYS 7 HZ2 LYS 7 -2.233 3.092 -8.893 55 3HZ LYS 7 HZ3 LYS 7 -1.501 3.469 -7.407 56 H CYS 8 HN CYS 8 -2.921 -0.099 -3.230 57 HA CYS 8 HA CYS 8 -1.225 -1.452 -5.224 58 1HB CYS 8 HB2 CYS 8 0.360 -2.267 -3.503 59 2HB CYS 8 HB1 CYS 8 0.391 -0.507 -3.611 60 H SER 9 HN SER 9 -0.742 -3.746 -3.540 61 HA SER 9 HA SER 9 -3.481 -4.863 -3.552 62 1HB SER 9 HB2 SER 9 -1.943 -6.248 -4.709 63 2HB SER 9 HB1 SER 9 -0.721 -6.074 -3.454 64 HG SER 9 HG SER 9 -3.250 -7.337 -3.155 65 H ARG 10 HN ARG 10 -1.433 -6.564 -1.448 66 HA ARG 10 HA ARG 10 -2.509 -5.098 0.911 67 1HB ARG 10 HB2 ARG 10 -4.014 -6.976 0.509 68 2HB ARG 10 HB1 ARG 10 -2.646 -8.089 0.440 69 1HG ARG 10 HG2 ARG 10 -2.069 -7.338 2.803 70 2HG ARG 10 HG1 ARG 10 -3.636 -6.527 2.836 71 1HD ARG 10 HD2 ARG 10 -4.811 -8.597 2.529 72 2HD ARG 10 HD1 ARG 10 -3.316 -9.462 2.169 73 HE ARG 10 HE ARG 10 -2.879 -8.490 4.710 74 1HH1 ARG 10 HH21 ARG 10 -5.393 -10.271 3.147 75 2HH1 ARG 10 HH22 ARG 10 -5.832 -11.150 4.574 76 1HH2 ARG 10 HH11 ARG 10 -3.443 -9.632 6.574 77 2HH2 ARG 10 HH12 ARG 10 -4.732 -10.788 6.511 78 H LEU 11 HN LEU 11 -0.251 -7.647 -0.189 79 HA LEU 11 HA LEU 11 1.603 -6.709 1.965 80 1HB LEU 11 HB2 LEU 11 0.643 -9.408 1.306 81 2HB LEU 11 HB1 LEU 11 2.398 -9.294 1.438 82 HG LEU 11 HG LEU 11 1.257 -7.778 3.574 83 1HD1 LEU 11 HD11 LEU 11 -0.182 -10.266 2.886 84 2HD1 LEU 11 HD12 LEU 11 -0.697 -8.906 3.885 85 3HD1 LEU 11 HD13 LEU 11 0.341 -10.156 4.567 86 1HD2 LEU 11 HD21 LEU 11 3.197 -8.666 4.322 87 2HD2 LEU 11 HD22 LEU 11 3.172 -9.921 3.083 88 3HD2 LEU 11 HD23 LEU 11 2.304 -10.162 4.599 89 H MET 12 HN MET 12 1.678 -5.554 -0.581 90 HA MET 12 HA MET 12 3.660 -6.957 -2.221 91 1HB MET 12 HB2 MET 12 2.510 -4.154 -2.356 92 2HB MET 12 HB1 MET 12 3.659 -4.801 -3.526 93 1HG MET 12 HG2 MET 12 1.053 -6.186 -2.874 94 2HG MET 12 HG1 MET 12 1.199 -4.999 -4.169 95 1HE MET 12 HE1 MET 12 1.503 -9.233 -4.682 96 2HE MET 12 HE2 MET 12 0.240 -8.022 -4.897 97 3HE MET 12 HE3 MET 12 0.923 -8.298 -3.298 98 H TYR 13 HN TYR 13 3.612 -4.295 0.103 99 HA TYR 13 HA TYR 13 5.356 -3.225 1.237 100 1HB TYR 13 HB2 TYR 13 6.592 -5.861 0.469 101 2HB TYR 13 HB1 TYR 13 7.548 -4.626 1.288 102 HD1 TYR 13 HD1 TYR 13 7.791 -6.195 3.224 103 HD2 TYR 13 HD2 TYR 13 3.967 -4.712 1.948 104 HE1 TYR 13 HE1 TYR 13 6.806 -6.870 5.394 105 HE2 TYR 13 HE2 TYR 13 2.982 -5.386 4.119 106 HH TYR 13 HH TYR 13 3.365 -6.798 5.953 107 H ASP 14 HN ASP 14 4.924 -2.586 -1.578 108 HA ASP 14 HA ASP 14 7.679 -2.162 -2.603 109 1HB ASP 14 HB2 ASP 14 5.015 -1.452 -3.874 110 2HB ASP 14 HB1 ASP 14 6.594 -1.397 -4.658 111 H CYS 15 HN CYS 15 5.322 -0.584 -0.743 112 HA CYS 15 HA CYS 15 5.611 2.133 -1.531 113 1HB CYS 15 HB2 CYS 15 5.334 1.202 1.332 114 2HB CYS 15 HB1 CYS 15 4.736 2.696 0.613 115 H CYS 16 HN CYS 16 7.159 3.566 -1.290 116 HA CYS 16 HA CYS 16 9.821 2.784 -0.613 117 1HB CYS 16 HB2 CYS 16 8.838 4.716 -2.105 118 2HB CYS 16 HB1 CYS 16 8.921 5.634 -0.608 119 H THR 17 HN THR 17 7.229 4.285 1.255 120 HA THR 17 HA THR 17 8.938 3.994 3.670 121 HB THR 17 HB THR 17 9.224 6.319 3.153 122 HG1 THR 17 HG1 THR 17 7.095 6.041 5.009 123 1HG2 THR 17 HG21 THR 17 6.223 6.339 2.748 124 2HG2 THR 17 HG22 THR 17 7.456 6.565 1.509 125 3HG2 THR 17 HG23 THR 17 7.236 7.784 2.764 126 H GLY 18 HN GLY 18 7.462 2.143 3.973 127 1HA GLY 18 HA2 GLY 18 5.669 2.068 5.877 128 2HA GLY 18 HA1 GLY 18 4.677 2.922 4.694 129 H SER 19 HN SER 19 3.227 1.028 4.843 130 HA SER 19 HA SER 19 4.102 -1.103 2.956 131 1HB SER 19 HB2 SER 19 2.435 -2.406 4.785 132 2HB SER 19 HB1 SER 19 4.181 -2.594 4.647 133 HG SER 19 HG SER 19 3.925 -1.924 6.688 134 H CYS 20 HN CYS 20 2.166 -2.319 2.098 135 HA CYS 20 HA CYS 20 0.228 -0.623 0.996 136 1HB CYS 20 HB2 CYS 20 0.359 -3.574 1.501 137 2HB CYS 20 HB1 CYS 20 -1.176 -2.882 0.978 138 H ARG 21 HN ARG 21 -0.846 0.763 2.434 139 HA ARG 21 HA ARG 21 -2.392 -0.553 4.633 140 1HB ARG 21 HB2 ARG 21 -0.729 1.795 4.588 141 2HB ARG 21 HB1 ARG 21 -2.384 2.265 4.980 142 1HG ARG 21 HG2 ARG 21 -1.785 -0.145 6.400 143 2HG ARG 21 HG1 ARG 21 -0.471 0.998 6.679 144 1HD ARG 21 HD2 ARG 21 -1.772 2.228 8.042 145 2HD ARG 21 HD1 ARG 21 -3.000 2.381 6.786 146 HE ARG 21 HE ARG 21 -3.377 -0.180 7.776 147 1HH1 ARG 21 HH21 ARG 21 -3.175 3.008 9.093 148 2HH1 ARG 21 HH22 ARG 21 -4.247 2.670 10.409 149 1HH2 ARG 21 HH11 ARG 21 -4.770 -0.633 9.489 150 2HH2 ARG 21 HH12 ARG 21 -5.152 0.612 10.632 151 H SER 22 HN SER 22 -4.607 -0.062 4.823 152 HA SER 22 HA SER 22 -6.748 0.435 4.000 153 1HB SER 22 HB2 SER 22 -6.044 2.736 4.479 154 2HB SER 22 HB1 SER 22 -5.239 2.836 2.916 155 HG SER 22 HG SER 22 -7.896 3.049 3.566 156 H GLY 23 HN GLY 23 -4.787 -1.110 2.312 157 1HA GLY 23 HA2 GLY 23 -5.076 -2.215 0.236 158 2HA GLY 23 HA1 GLY 23 -6.396 -1.107 -0.135 159 H LYS 24 HN LYS 24 -4.102 0.948 0.830 160 HA LYS 24 HA LYS 24 -2.892 1.124 -1.891 161 1HB LYS 24 HB2 LYS 24 -3.176 3.579 -0.219 162 2HB LYS 24 HB1 LYS 24 -3.257 3.409 -1.970 163 1HG LYS 24 HG2 LYS 24 -5.423 1.922 -1.130 164 2HG LYS 24 HG1 LYS 24 -5.392 3.252 0.025 165 1HD LYS 24 HD2 LYS 24 -5.872 4.833 -1.565 166 2HD LYS 24 HD1 LYS 24 -4.983 3.978 -2.827 167 1HE LYS 24 HE2 LYS 24 -6.846 2.925 -3.545 168 2HE LYS 24 HE1 LYS 24 -7.278 2.440 -1.905 169 1HZ LYS 24 HZ1 LYS 24 -7.634 5.243 -2.700 170 2HZ LYS 24 HZ2 LYS 24 -8.501 4.322 -1.565 171 3HZ LYS 24 HZ3 LYS 24 -8.766 4.095 -3.227 172 1H CYS 25 H1 CYS 25 2.329 2.803 1.666 173 H CYS 25 HN CYS 25 -0.912 2.770 -1.682 174 HA CYS 25 HA CYS 25 0.958 1.438 0.097 175 1HB CYS 25 HB2 CYS 25 1.103 3.333 -2.104 176 2HB CYS 25 HB1 CYS 25 2.177 3.798 -0.786 Start of MODEL 12 1 2H CYS 1 HT2 CYS 1 11.191 2.698 -5.623 2 3H CYS 1 HT3 CYS 1 10.661 1.204 -6.237 3 HA CYS 1 HA CYS 1 9.252 0.797 -4.502 4 1HB CYS 1 HB2 CYS 1 9.534 2.120 -2.325 5 2HB CYS 1 HB1 CYS 1 10.776 0.923 -2.677 6 H LYS 2 HN LYS 2 7.339 2.032 -3.812 7 HA LYS 2 HA LYS 2 7.085 4.577 -5.354 8 1HB LYS 2 HB2 LYS 2 5.241 2.328 -4.703 9 2HB LYS 2 HB1 LYS 2 4.536 3.942 -4.807 10 1HG LYS 2 HG2 LYS 2 6.431 3.201 -6.973 11 2HG LYS 2 HG1 LYS 2 4.885 2.351 -6.967 12 1HD LYS 2 HD2 LYS 2 3.887 4.761 -6.612 13 2HD LYS 2 HD1 LYS 2 5.429 5.286 -7.291 14 1HE LYS 2 HE2 LYS 2 4.143 5.058 -9.221 15 2HE LYS 2 HE1 LYS 2 4.903 3.469 -9.125 16 1HZ LYS 2 HZ1 LYS 2 2.976 2.502 -8.329 17 2HZ LYS 2 HZ2 LYS 2 2.379 3.611 -9.469 18 3HZ LYS 2 HZ3 LYS 2 2.314 3.974 -7.811 19 H GLY 3 HN GLY 3 5.065 5.874 -4.250 20 1HA GLY 3 HA2 GLY 3 5.811 6.177 -1.366 21 2HA GLY 3 HA1 GLY 3 5.380 7.543 -2.397 22 H LYS 4 HN LYS 4 3.944 7.051 -0.010 23 HA LYS 4 HA LYS 4 1.681 5.446 -0.173 24 1HB LYS 4 HB2 LYS 4 0.822 6.744 1.550 25 2HB LYS 4 HB1 LYS 4 2.534 7.081 1.682 26 1HG LYS 4 HG2 LYS 4 1.990 9.038 0.017 27 2HG LYS 4 HG1 LYS 4 0.348 8.825 0.613 28 1HD LYS 4 HD2 LYS 4 1.365 8.942 2.974 29 2HD LYS 4 HD1 LYS 4 2.817 9.562 2.186 30 1HE LYS 4 HE2 LYS 4 0.783 11.054 1.031 31 2HE LYS 4 HE1 LYS 4 0.270 10.907 2.711 32 1HZ LYS 4 HZ1 LYS 4 2.879 11.918 1.725 33 2HZ LYS 4 HZ2 LYS 4 2.527 11.628 3.362 34 3HZ LYS 4 HZ3 LYS 4 1.666 12.814 2.501 35 H GLY 5 HN GLY 5 -0.517 5.969 -0.827 36 1HA GLY 5 HA2 GLY 5 -2.125 7.235 -2.112 37 2HA GLY 5 HA1 GLY 5 -0.791 8.174 -2.796 38 H ALA 6 HN ALA 6 0.851 5.820 -3.298 39 HA ALA 6 HA ALA 6 -0.208 5.111 -5.904 40 1HB ALA 6 HB1 ALA 6 2.214 5.308 -5.578 41 2HB ALA 6 HB2 ALA 6 1.815 3.652 -6.032 42 3HB ALA 6 HB3 ALA 6 2.171 4.044 -4.349 43 H LYS 7 HN LYS 7 -2.242 4.234 -5.042 44 HA LYS 7 HA LYS 7 -2.874 2.262 -3.358 45 1HB LYS 7 HB2 LYS 7 -4.568 1.480 -4.877 46 2HB LYS 7 HB1 LYS 7 -4.354 3.208 -5.175 47 1HG LYS 7 HG2 LYS 7 -2.443 1.936 -6.787 48 2HG LYS 7 HG1 LYS 7 -3.911 0.988 -6.968 49 1HD LYS 7 HD2 LYS 7 -4.326 3.910 -7.015 50 2HD LYS 7 HD1 LYS 7 -3.400 3.271 -8.375 51 1HE LYS 7 HE2 LYS 7 -5.172 1.669 -8.877 52 2HE LYS 7 HE1 LYS 7 -6.083 2.192 -7.461 53 1HZ LYS 7 HZ1 LYS 7 -6.555 3.174 -9.836 54 2HZ LYS 7 HZ2 LYS 7 -5.287 4.224 -9.409 55 3HZ LYS 7 HZ3 LYS 7 -6.682 4.135 -8.443 56 H CYS 8 HN CYS 8 -2.770 -0.039 -3.242 57 HA CYS 8 HA CYS 8 -1.019 -1.420 -5.196 58 1HB CYS 8 HB2 CYS 8 0.393 -2.340 -3.372 59 2HB CYS 8 HB1 CYS 8 0.519 -0.584 -3.467 60 H SER 9 HN SER 9 -0.725 -3.817 -3.845 61 HA SER 9 HA SER 9 -3.522 -4.780 -3.814 62 1HB SER 9 HB2 SER 9 -0.844 -6.044 -4.214 63 2HB SER 9 HB1 SER 9 -2.171 -7.048 -3.639 64 HG SER 9 HG SER 9 -2.504 -7.133 -5.746 65 H ARG 10 HN ARG 10 -1.237 -6.656 -2.077 66 HA ARG 10 HA ARG 10 -2.024 -5.525 0.535 67 1HB ARG 10 HB2 ARG 10 -3.519 -7.590 -0.525 68 2HB ARG 10 HB1 ARG 10 -2.329 -8.450 0.452 69 1HG ARG 10 HG2 ARG 10 -2.906 -6.696 2.289 70 2HG ARG 10 HG1 ARG 10 -4.355 -6.400 1.327 71 1HD ARG 10 HD2 ARG 10 -3.614 -9.229 1.988 72 2HD ARG 10 HD1 ARG 10 -4.378 -8.236 3.229 73 HE ARG 10 HE ARG 10 -5.990 -7.868 1.007 74 1HH1 ARG 10 HH21 ARG 10 -4.740 -10.563 2.772 75 2HH1 ARG 10 HH22 ARG 10 -6.101 -11.578 2.432 76 1HH2 ARG 10 HH11 ARG 10 -7.767 -9.183 0.562 77 2HH2 ARG 10 HH12 ARG 10 -7.813 -10.798 1.183 78 H LEU 11 HN LEU 11 -0.059 -5.296 1.472 79 HA LEU 11 HA LEU 11 2.069 -5.851 2.291 80 1HB LEU 11 HB2 LEU 11 1.176 -8.662 1.597 81 2HB LEU 11 HB1 LEU 11 2.595 -8.255 2.554 82 HG LEU 11 HG LEU 11 -0.267 -8.235 3.319 83 1HD1 LEU 11 HD11 LEU 11 0.677 -8.836 5.462 84 2HD1 LEU 11 HD12 LEU 11 2.286 -8.335 4.943 85 3HD1 LEU 11 HD13 LEU 11 1.523 -9.749 4.213 86 1HD2 LEU 11 HD21 LEU 11 0.106 -5.821 3.384 87 2HD2 LEU 11 HD22 LEU 11 1.639 -6.048 4.224 88 3HD2 LEU 11 HD23 LEU 11 0.123 -6.440 5.035 89 H MET 12 HN MET 12 1.534 -5.274 -0.590 90 HA MET 12 HA MET 12 3.106 -6.904 -2.305 91 1HB MET 12 HB2 MET 12 2.119 -4.091 -2.344 92 2HB MET 12 HB1 MET 12 3.443 -4.487 -3.442 93 1HG MET 12 HG2 MET 12 1.101 -6.348 -3.298 94 2HG MET 12 HG1 MET 12 0.924 -4.836 -4.189 95 1HE MET 12 HE1 MET 12 0.780 -7.892 -4.909 96 2HE MET 12 HE2 MET 12 2.319 -8.483 -4.286 97 3HE MET 12 HE3 MET 12 2.020 -8.485 -6.023 98 H TYR 13 HN TYR 13 4.032 -4.664 0.171 99 HA TYR 13 HA TYR 13 6.144 -4.013 0.950 100 1HB TYR 13 HB2 TYR 13 6.901 -6.467 -0.655 101 2HB TYR 13 HB1 TYR 13 8.036 -5.584 0.365 102 HD1 TYR 13 HD1 TYR 13 6.075 -8.394 0.339 103 HD2 TYR 13 HD2 TYR 13 6.799 -4.929 2.771 104 HE1 TYR 13 HE1 TYR 13 5.243 -9.617 2.327 105 HE2 TYR 13 HE2 TYR 13 5.966 -6.151 4.760 106 HH TYR 13 HH TYR 13 4.639 -9.437 4.477 107 H ASP 14 HN ASP 14 5.111 -2.821 -1.519 108 HA ASP 14 HA ASP 14 7.677 -2.308 -2.964 109 1HB ASP 14 HB2 ASP 14 4.855 -2.489 -3.830 110 2HB ASP 14 HB1 ASP 14 5.769 -1.155 -4.534 111 H CYS 15 HN CYS 15 5.007 -0.832 -1.211 112 HA CYS 15 HA CYS 15 5.473 1.893 -1.839 113 1HB CYS 15 HB2 CYS 15 4.833 0.998 0.970 114 2HB CYS 15 HB1 CYS 15 4.299 2.451 0.127 115 H CYS 16 HN CYS 16 7.144 3.111 -1.572 116 HA CYS 16 HA CYS 16 9.576 2.232 -0.341 117 1HB CYS 16 HB2 CYS 16 8.996 4.049 -2.198 118 2HB CYS 16 HB1 CYS 16 9.016 5.122 -0.807 119 H THR 17 HN THR 17 6.792 3.977 0.840 120 HA THR 17 HA THR 17 8.229 4.854 3.270 121 HB THR 17 HB THR 17 6.028 5.871 3.871 122 HG1 THR 17 HG1 THR 17 4.381 5.006 2.926 123 1HG2 THR 17 HG21 THR 17 6.439 7.677 2.542 124 2HG2 THR 17 HG22 THR 17 6.389 6.723 1.060 125 3HG2 THR 17 HG23 THR 17 7.848 6.737 2.049 126 H GLY 18 HN GLY 18 5.261 4.272 4.453 127 1HA GLY 18 HA2 GLY 18 6.051 2.058 6.051 128 2HA GLY 18 HA1 GLY 18 4.385 2.604 5.846 129 H SER 19 HN SER 19 3.078 1.061 5.004 130 HA SER 19 HA SER 19 4.094 -0.618 2.785 131 1HB SER 19 HB2 SER 19 3.313 -2.690 3.863 132 2HB SER 19 HB1 SER 19 4.561 -1.915 4.837 133 HG SER 19 HG SER 19 2.498 -0.836 5.771 134 H CYS 20 HN CYS 20 2.137 -2.077 2.029 135 HA CYS 20 HA CYS 20 0.099 -0.494 1.015 136 1HB CYS 20 HB2 CYS 20 0.226 -3.414 1.719 137 2HB CYS 20 HB1 CYS 20 -1.291 -2.724 1.143 138 H ARG 21 HN ARG 21 -1.004 0.938 2.343 139 HA ARG 21 HA ARG 21 -2.217 -0.159 4.842 140 1HB ARG 21 HB2 ARG 21 -0.753 1.878 5.033 141 2HB ARG 21 HB1 ARG 21 -1.906 2.744 4.018 142 1HG ARG 21 HG2 ARG 21 -3.388 2.988 5.714 143 2HG ARG 21 HG1 ARG 21 -3.168 1.322 6.256 144 1HD ARG 21 HD2 ARG 21 -0.750 2.760 6.784 145 2HD ARG 21 HD1 ARG 21 -2.100 3.700 7.418 146 HE ARG 21 HE ARG 21 -2.628 1.123 8.286 147 1HH1 ARG 21 HH21 ARG 21 0.039 3.314 8.436 148 2HH1 ARG 21 HH22 ARG 21 0.620 2.704 9.950 149 1HH2 ARG 21 HH11 ARG 21 -1.879 0.323 10.261 150 2HH2 ARG 21 HH12 ARG 21 -0.462 1.014 10.981 151 H SER 22 HN SER 22 -4.426 -0.324 4.975 152 HA SER 22 HA SER 22 -6.648 -0.358 4.213 153 1HB SER 22 HB2 SER 22 -6.431 2.224 2.813 154 2HB SER 22 HB1 SER 22 -7.509 1.742 4.118 155 HG SER 22 HG SER 22 -6.168 2.600 5.487 156 H GLY 23 HN GLY 23 -4.366 -1.189 2.363 157 1HA GLY 23 HA2 GLY 23 -4.589 -2.321 0.260 158 2HA GLY 23 HA1 GLY 23 -6.040 -1.375 -0.069 159 H LYS 24 HN LYS 24 -4.404 1.074 0.875 160 HA LYS 24 HA LYS 24 -3.179 1.538 -1.790 161 1HB LYS 24 HB2 LYS 24 -3.883 3.545 0.372 162 2HB LYS 24 HB1 LYS 24 -3.349 3.923 -1.267 163 1HG LYS 24 HG2 LYS 24 -5.383 3.447 -2.184 164 2HG LYS 24 HG1 LYS 24 -5.680 2.106 -1.077 165 1HD LYS 24 HD2 LYS 24 -7.177 3.539 -0.126 166 2HD LYS 24 HD1 LYS 24 -5.745 4.218 0.651 167 1HE LYS 24 HE2 LYS 24 -5.702 6.064 -0.726 168 2HE LYS 24 HE1 LYS 24 -6.409 5.195 -2.089 169 1HZ LYS 24 HZ1 LYS 24 -7.754 6.370 0.256 170 2HZ LYS 24 HZ2 LYS 24 -8.485 5.102 -0.606 171 3HZ LYS 24 HZ3 LYS 24 -8.115 6.565 -1.388 172 1H CYS 25 H1 CYS 25 2.300 2.872 1.413 173 H CYS 25 HN CYS 25 -1.077 2.720 -1.850 174 HA CYS 25 HA CYS 25 0.818 1.528 -0.046 175 1HB CYS 25 HB2 CYS 25 0.902 3.413 -2.307 176 2HB CYS 25 HB1 CYS 25 2.158 3.686 -1.106 Start of MODEL 13 1 2H CYS 1 HT2 CYS 1 10.700 2.791 -5.863 2 3H CYS 1 HT3 CYS 1 10.697 1.104 -6.054 3 HA CYS 1 HA CYS 1 9.446 0.729 -4.221 4 1HB CYS 1 HB2 CYS 1 9.404 2.623 -2.399 5 2HB CYS 1 HB1 CYS 1 10.772 1.516 -2.478 6 H LYS 2 HN LYS 2 7.300 1.515 -3.589 7 HA LYS 2 HA LYS 2 6.136 3.210 -5.676 8 1HB LYS 2 HB2 LYS 2 5.048 1.593 -3.382 9 2HB LYS 2 HB1 LYS 2 4.017 2.755 -4.215 10 1HG LYS 2 HG2 LYS 2 5.615 0.692 -5.733 11 2HG LYS 2 HG1 LYS 2 4.007 0.335 -5.102 12 1HD LYS 2 HD2 LYS 2 3.034 2.146 -6.385 13 2HD LYS 2 HD1 LYS 2 4.630 2.696 -6.898 14 1HE LYS 2 HE2 LYS 2 3.320 0.057 -7.608 15 2HE LYS 2 HE1 LYS 2 3.627 1.404 -8.703 16 1HZ LYS 2 HZ1 LYS 2 5.365 -0.127 -9.026 17 2HZ LYS 2 HZ2 LYS 2 5.612 -0.336 -7.359 18 3HZ LYS 2 HZ3 LYS 2 6.034 1.131 -8.107 19 H GLY 3 HN GLY 3 4.188 4.657 -4.476 20 1HA GLY 3 HA2 GLY 3 5.665 6.430 -2.568 21 2HA GLY 3 HA1 GLY 3 4.653 7.075 -3.861 22 H LYS 4 HN LYS 4 4.183 7.704 -1.142 23 HA LYS 4 HA LYS 4 2.292 6.091 0.180 24 1HB LYS 4 HB2 LYS 4 3.001 9.000 0.156 25 2HB LYS 4 HB1 LYS 4 1.554 8.483 1.010 26 1HG LYS 4 HG2 LYS 4 2.757 7.603 2.693 27 2HG LYS 4 HG1 LYS 4 3.787 6.720 1.572 28 1HD LYS 4 HD2 LYS 4 4.100 9.685 2.090 29 2HD LYS 4 HD1 LYS 4 4.976 8.459 3.007 30 1HE LYS 4 HE2 LYS 4 5.089 8.887 0.007 31 2HE LYS 4 HE1 LYS 4 6.378 9.214 1.166 32 1HZ LYS 4 HZ1 LYS 4 6.000 6.720 1.763 33 2HZ LYS 4 HZ2 LYS 4 6.962 7.147 0.430 34 3HZ LYS 4 HZ3 LYS 4 5.357 6.640 0.197 35 H GLY 5 HN GLY 5 -0.064 6.551 0.375 36 1HA GLY 5 HA2 GLY 5 -2.160 6.576 -0.702 37 2HA GLY 5 HA1 GLY 5 -1.612 8.132 -1.322 38 H ALA 6 HN ALA 6 0.209 5.280 -2.104 39 HA ALA 6 HA ALA 6 -0.253 5.729 -4.943 40 1HB ALA 6 HB1 ALA 6 1.380 3.748 -3.367 41 2HB ALA 6 HB2 ALA 6 1.946 5.061 -4.400 42 3HB ALA 6 HB3 ALA 6 1.220 3.623 -5.119 43 H LYS 7 HN LYS 7 -2.518 4.664 -3.151 44 HA LYS 7 HA LYS 7 -4.072 2.847 -3.145 45 1HB LYS 7 HB2 LYS 7 -5.209 2.816 -5.332 46 2HB LYS 7 HB1 LYS 7 -4.793 4.473 -4.874 47 1HG LYS 7 HG2 LYS 7 -2.725 4.312 -6.204 48 2HG LYS 7 HG1 LYS 7 -3.171 2.684 -6.690 49 1HD LYS 7 HD2 LYS 7 -4.982 5.054 -7.184 50 2HD LYS 7 HD1 LYS 7 -3.756 4.551 -8.350 51 1HE LYS 7 HE2 LYS 7 -4.819 2.193 -8.119 52 2HE LYS 7 HE1 LYS 7 -6.193 3.044 -7.413 53 1HZ LYS 7 HZ1 LYS 7 -6.828 3.738 -9.406 54 2HZ LYS 7 HZ2 LYS 7 -5.663 2.705 -10.088 55 3HZ LYS 7 HZ3 LYS 7 -5.283 4.332 -9.778 56 H CYS 8 HN CYS 8 -1.570 1.738 -3.083 57 HA CYS 8 HA CYS 8 -1.060 -0.126 -5.226 58 1HB CYS 8 HB2 CYS 8 0.590 -1.102 -3.723 59 2HB CYS 8 HB1 CYS 8 0.676 0.653 -3.598 60 H SER 9 HN SER 9 -0.647 -2.501 -3.562 61 HA SER 9 HA SER 9 -3.489 -3.389 -3.437 62 1HB SER 9 HB2 SER 9 -1.547 -4.526 -4.842 63 2HB SER 9 HB1 SER 9 -1.181 -5.291 -3.299 64 HG SER 9 HG SER 9 -3.826 -5.203 -4.249 65 H ARG 10 HN ARG 10 -2.362 -5.790 -1.849 66 HA ARG 10 HA ARG 10 -2.142 -4.419 0.792 67 1HB ARG 10 HB2 ARG 10 -3.744 -6.919 0.154 68 2HB ARG 10 HB1 ARG 10 -3.559 -6.198 1.754 69 1HG ARG 10 HG2 ARG 10 -5.344 -4.903 1.311 70 2HG ARG 10 HG1 ARG 10 -4.386 -4.097 0.067 71 1HD ARG 10 HD2 ARG 10 -6.180 -4.861 -1.199 72 2HD ARG 10 HD1 ARG 10 -5.057 -6.211 -1.375 73 HE ARG 10 HE ARG 10 -6.525 -6.876 0.872 74 1HH1 ARG 10 HH21 ARG 10 -7.234 -5.926 -2.373 75 2HH1 ARG 10 HH22 ARG 10 -8.700 -6.841 -2.455 76 1HH2 ARG 10 HH11 ARG 10 -8.434 -8.074 0.772 77 2HH2 ARG 10 HH12 ARG 10 -9.379 -8.056 -0.679 78 H LEU 11 HN LEU 11 -0.077 -4.853 1.382 79 HA LEU 11 HA LEU 11 1.680 -6.198 2.211 80 1HB LEU 11 HB2 LEU 11 -0.430 -7.999 2.125 81 2HB LEU 11 HB1 LEU 11 0.792 -8.757 1.102 82 HG LEU 11 HG LEU 11 2.136 -7.693 3.371 83 1HD1 LEU 11 HD11 LEU 11 1.014 -8.756 5.220 84 2HD1 LEU 11 HD12 LEU 11 -0.169 -9.499 4.145 85 3HD1 LEU 11 HD13 LEU 11 -0.179 -7.754 4.393 86 1HD2 LEU 11 HD21 LEU 11 1.444 -10.600 3.039 87 2HD2 LEU 11 HD22 LEU 11 2.977 -9.871 3.517 88 3HD2 LEU 11 HD23 LEU 11 2.457 -9.807 1.833 89 H MET 12 HN MET 12 2.063 -4.836 -0.075 90 HA MET 12 HA MET 12 3.131 -6.785 -2.063 91 1HB MET 12 HB2 MET 12 2.293 -3.902 -2.198 92 2HB MET 12 HB1 MET 12 3.457 -4.520 -3.371 93 1HG MET 12 HG2 MET 12 0.999 -6.143 -2.873 94 2HG MET 12 HG1 MET 12 0.827 -4.661 -3.814 95 1HE MET 12 HE1 MET 12 2.011 -5.320 -7.139 96 2HE MET 12 HE2 MET 12 1.633 -4.140 -5.888 97 3HE MET 12 HE3 MET 12 0.447 -5.370 -6.315 98 H TYR 13 HN TYR 13 4.084 -4.629 0.430 99 HA TYR 13 HA TYR 13 6.201 -3.955 1.188 100 1HB TYR 13 HB2 TYR 13 6.841 -6.433 -0.413 101 2HB TYR 13 HB1 TYR 13 8.107 -5.510 0.395 102 HD1 TYR 13 HD1 TYR 13 8.365 -5.556 2.778 103 HD2 TYR 13 HD2 TYR 13 4.990 -7.448 0.916 104 HE1 TYR 13 HE1 TYR 13 7.803 -6.662 4.923 105 HE2 TYR 13 HE2 TYR 13 4.425 -8.554 3.060 106 HH TYR 13 HH TYR 13 5.272 -9.095 5.126 107 H ASP 14 HN ASP 14 5.302 -2.364 -0.831 108 HA ASP 14 HA ASP 14 7.749 -1.971 -2.509 109 1HB ASP 14 HB2 ASP 14 4.867 -1.983 -3.232 110 2HB ASP 14 HB1 ASP 14 5.849 -0.720 -3.971 111 H CYS 15 HN CYS 15 5.274 -0.532 -0.490 112 HA CYS 15 HA CYS 15 5.529 2.191 -0.992 113 1HB CYS 15 HB2 CYS 15 5.507 0.921 1.755 114 2HB CYS 15 HB1 CYS 15 5.053 2.580 1.369 115 H CYS 16 HN CYS 16 7.162 3.488 -1.111 116 HA CYS 16 HA CYS 16 9.859 2.749 -0.506 117 1HB CYS 16 HB2 CYS 16 8.804 4.508 -2.157 118 2HB CYS 16 HB1 CYS 16 8.994 5.595 -0.789 119 H THR 17 HN THR 17 7.381 3.864 1.565 120 HA THR 17 HA THR 17 9.467 4.647 3.559 121 HB THR 17 HB THR 17 7.834 6.313 4.458 122 HG1 THR 17 HG1 THR 17 5.929 5.528 3.663 123 1HG2 THR 17 HG21 THR 17 8.137 7.938 2.604 124 2HG2 THR 17 HG22 THR 17 8.624 6.611 1.548 125 3HG2 THR 17 HG23 THR 17 9.612 7.035 2.947 126 H GLY 18 HN GLY 18 6.973 2.526 2.863 127 1HA GLY 18 HA2 GLY 18 7.048 1.397 5.525 128 2HA GLY 18 HA1 GLY 18 5.525 2.241 5.244 129 H SER 19 HN SER 19 3.993 0.755 4.764 130 HA SER 19 HA SER 19 4.590 -1.209 2.612 131 1HB SER 19 HB2 SER 19 4.890 -2.360 4.803 132 2HB SER 19 HB1 SER 19 3.240 -1.922 5.234 133 HG SER 19 HG SER 19 4.195 -3.808 3.431 134 H CYS 20 HN CYS 20 2.556 -2.131 1.698 135 HA CYS 20 HA CYS 20 0.682 -0.185 0.959 136 1HB CYS 20 HB2 CYS 20 0.660 -3.179 1.009 137 2HB CYS 20 HB1 CYS 20 -0.849 -2.335 0.664 138 H ARG 21 HN ARG 21 -0.947 0.805 2.074 139 HA ARG 21 HA ARG 21 -2.022 -0.587 4.497 140 1HB ARG 21 HB2 ARG 21 -0.666 1.290 5.236 141 2HB ARG 21 HB1 ARG 21 -1.469 2.367 4.094 142 1HG ARG 21 HG2 ARG 21 -3.161 2.738 5.532 143 2HG ARG 21 HG1 ARG 21 -3.420 1.007 5.746 144 1HD ARG 21 HD2 ARG 21 -1.109 1.363 7.159 145 2HD ARG 21 HD1 ARG 21 -1.912 2.910 7.430 146 HE ARG 21 HE ARG 21 -3.902 1.050 7.914 147 1HH1 ARG 21 HH21 ARG 21 -0.663 1.568 8.998 148 2HH1 ARG 21 HH22 ARG 21 -0.943 0.888 10.565 149 1HH2 ARG 21 HH11 ARG 21 -4.276 0.160 9.957 150 2HH2 ARG 21 HH12 ARG 21 -2.982 0.094 11.108 151 H SER 22 HN SER 22 -4.172 -0.993 4.286 152 HA SER 22 HA SER 22 -6.348 -0.913 3.391 153 1HB SER 22 HB2 SER 22 -5.785 1.531 4.520 154 2HB SER 22 HB1 SER 22 -6.243 1.992 2.884 155 HG SER 22 HG SER 22 -8.139 1.854 3.936 156 H GLY 23 HN GLY 23 -3.988 -1.119 1.565 157 1HA GLY 23 HA2 GLY 23 -4.010 -1.523 -0.800 158 2HA GLY 23 HA1 GLY 23 -5.427 -0.488 -0.945 159 H LYS 24 HN LYS 24 -4.266 1.677 0.652 160 HA LYS 24 HA LYS 24 -2.620 2.821 -1.524 161 1HB LYS 24 HB2 LYS 24 -3.707 4.142 0.976 162 2HB LYS 24 HB1 LYS 24 -2.984 4.959 -0.407 163 1HG LYS 24 HG2 LYS 24 -4.866 4.774 -1.665 164 2HG LYS 24 HG1 LYS 24 -5.190 3.134 -1.101 165 1HD LYS 24 HD2 LYS 24 -5.644 4.558 1.183 166 2HD LYS 24 HD1 LYS 24 -6.160 5.720 -0.041 167 1HE LYS 24 HE2 LYS 24 -7.068 2.850 -0.168 168 2HE LYS 24 HE1 LYS 24 -7.913 4.018 0.847 169 1HZ LYS 24 HZ1 LYS 24 -8.877 3.864 -1.378 170 2HZ LYS 24 HZ2 LYS 24 -7.395 4.335 -2.061 171 3HZ LYS 24 HZ3 LYS 24 -8.260 5.414 -1.073 172 1H CYS 25 H1 CYS 25 2.525 3.136 2.321 173 H CYS 25 HN CYS 25 -0.480 3.256 -1.303 174 HA CYS 25 HA CYS 25 1.075 1.959 0.679 175 1HB CYS 25 HB2 CYS 25 1.559 3.835 -1.507 176 2HB CYS 25 HB1 CYS 25 2.652 4.094 -0.150 Start of MODEL 14 1 2H CYS 1 HT2 CYS 1 11.168 3.778 -5.287 2 3H CYS 1 HT3 CYS 1 10.780 2.480 -6.312 3 HA CYS 1 HA CYS 1 9.524 1.391 -4.684 4 1HB CYS 1 HB2 CYS 1 9.487 2.527 -2.339 5 2HB CYS 1 HB1 CYS 1 10.850 1.489 -2.750 6 H LYS 2 HN LYS 2 7.363 1.997 -4.246 7 HA LYS 2 HA LYS 2 6.547 4.527 -5.465 8 1HB LYS 2 HB2 LYS 2 5.098 2.149 -4.311 9 2HB LYS 2 HB1 LYS 2 4.225 3.619 -4.738 10 1HG LYS 2 HG2 LYS 2 4.131 2.223 -6.671 11 2HG LYS 2 HG1 LYS 2 5.344 3.452 -7.032 12 1HD LYS 2 HD2 LYS 2 7.080 1.954 -6.946 13 2HD LYS 2 HD1 LYS 2 6.309 0.975 -5.696 14 1HE LYS 2 HE2 LYS 2 5.170 -0.309 -7.212 15 2HE LYS 2 HE1 LYS 2 4.952 1.031 -8.338 16 1HZ LYS 2 HZ1 LYS 2 6.745 0.418 -9.460 17 2HZ LYS 2 HZ2 LYS 2 6.799 -0.999 -8.524 18 3HZ LYS 2 HZ3 LYS 2 7.699 0.367 -8.060 19 H GLY 3 HN GLY 3 5.040 6.015 -4.327 20 1HA GLY 3 HA2 GLY 3 5.753 6.237 -1.431 21 2HA GLY 3 HA1 GLY 3 5.340 7.611 -2.461 22 H LYS 4 HN LYS 4 3.953 7.091 -0.027 23 HA LYS 4 HA LYS 4 1.664 5.585 -0.018 24 1HB LYS 4 HB2 LYS 4 2.545 7.848 1.356 25 2HB LYS 4 HB1 LYS 4 0.968 8.300 0.722 26 1HG LYS 4 HG2 LYS 4 0.337 5.872 1.563 27 2HG LYS 4 HG1 LYS 4 1.689 6.141 2.652 28 1HD LYS 4 HD2 LYS 4 -0.232 8.388 2.383 29 2HD LYS 4 HD1 LYS 4 -0.829 6.954 3.218 30 1HE LYS 4 HE2 LYS 4 0.738 7.132 4.932 31 2HE LYS 4 HE1 LYS 4 1.875 8.039 3.934 32 1HZ LYS 4 HZ1 LYS 4 -0.365 8.981 5.506 33 2HZ LYS 4 HZ2 LYS 4 -0.231 9.682 3.964 34 3HZ LYS 4 HZ3 LYS 4 1.064 9.781 5.060 35 H GLY 5 HN GLY 5 -0.447 5.823 -0.790 36 1HA GLY 5 HA2 GLY 5 -2.169 6.871 -2.140 37 2HA GLY 5 HA1 GLY 5 -0.921 7.876 -2.889 38 H ALA 6 HN ALA 6 0.914 5.628 -3.237 39 HA ALA 6 HA ALA 6 0.006 4.721 -5.823 40 1HB ALA 6 HB1 ALA 6 2.130 3.135 -4.541 41 2HB ALA 6 HB2 ALA 6 2.454 4.868 -4.557 42 3HB ALA 6 HB3 ALA 6 2.153 4.013 -6.069 43 H LYS 7 HN LYS 7 -2.080 3.865 -4.986 44 HA LYS 7 HA LYS 7 -2.797 1.966 -3.267 45 1HB LYS 7 HB2 LYS 7 -4.368 1.064 -4.853 46 2HB LYS 7 HB1 LYS 7 -4.171 2.780 -5.219 47 1HG LYS 7 HG2 LYS 7 -2.133 1.512 -6.645 48 2HG LYS 7 HG1 LYS 7 -3.535 0.476 -6.856 49 1HD LYS 7 HD2 LYS 7 -4.264 3.281 -7.085 50 2HD LYS 7 HD1 LYS 7 -3.017 2.841 -8.252 51 1HE LYS 7 HE2 LYS 7 -4.355 1.137 -9.213 52 2HE LYS 7 HE1 LYS 7 -5.471 1.131 -7.848 53 1HZ LYS 7 HZ1 LYS 7 -5.314 3.719 -8.985 54 2HZ LYS 7 HZ2 LYS 7 -6.670 2.711 -8.798 55 3HZ LYS 7 HZ3 LYS 7 -5.699 2.583 -10.187 56 H CYS 8 HN CYS 8 -2.667 -0.329 -3.015 57 HA CYS 8 HA CYS 8 -0.928 -1.878 -4.800 58 1HB CYS 8 HB2 CYS 8 0.662 -2.476 -2.983 59 2HB CYS 8 HB1 CYS 8 0.717 -0.756 -3.357 60 H SER 9 HN SER 9 -0.408 -3.990 -3.003 61 HA SER 9 HA SER 9 -3.166 -5.030 -2.630 62 1HB SER 9 HB2 SER 9 -2.138 -7.229 -2.638 63 2HB SER 9 HB1 SER 9 -1.492 -6.317 -3.999 64 HG SER 9 HG SER 9 0.409 -6.386 -3.104 65 H ARG 10 HN ARG 10 -1.930 -7.103 -0.751 66 HA ARG 10 HA ARG 10 -2.326 -5.507 1.701 67 1HB ARG 10 HB2 ARG 10 -3.470 -7.697 1.449 68 2HB ARG 10 HB1 ARG 10 -1.898 -8.491 1.349 69 1HG ARG 10 HG2 ARG 10 -1.791 -6.858 3.651 70 2HG ARG 10 HG1 ARG 10 -3.361 -7.664 3.701 71 1HD ARG 10 HD2 ARG 10 -1.798 -9.746 2.951 72 2HD ARG 10 HD1 ARG 10 -0.635 -8.820 3.899 73 HE ARG 10 HE ARG 10 -2.879 -8.901 5.519 74 1HH1 ARG 10 HH21 ARG 10 -0.941 -11.206 3.823 75 2HH1 ARG 10 HH22 ARG 10 -1.210 -12.470 4.974 76 1HH2 ARG 10 HH11 ARG 10 -3.237 -10.547 7.024 77 2HH2 ARG 10 HH12 ARG 10 -2.510 -12.100 6.782 78 H LEU 11 HN LEU 11 0.232 -7.201 -0.018 79 HA LEU 11 HA LEU 11 2.212 -5.913 1.740 80 1HB LEU 11 HB2 LEU 11 1.554 -8.773 1.878 81 2HB LEU 11 HB1 LEU 11 3.276 -8.419 1.705 82 HG LEU 11 HG LEU 11 1.401 -7.327 3.823 83 1HD1 LEU 11 HD11 LEU 11 3.006 -9.640 3.661 84 2HD1 LEU 11 HD12 LEU 11 2.186 -8.997 5.086 85 3HD1 LEU 11 HD13 LEU 11 3.848 -8.521 4.733 86 1HD2 LEU 11 HD21 LEU 11 3.947 -6.320 2.757 87 2HD2 LEU 11 HD22 LEU 11 3.991 -6.605 4.497 88 3HD2 LEU 11 HD23 LEU 11 2.779 -5.523 3.812 89 H MET 12 HN MET 12 1.670 -5.448 -0.984 90 HA MET 12 HA MET 12 3.148 -6.951 -2.853 91 1HB MET 12 HB2 MET 12 1.967 -4.311 -2.732 92 2HB MET 12 HB1 MET 12 3.522 -4.247 -3.564 93 1HG MET 12 HG2 MET 12 2.105 -6.593 -4.423 94 2HG MET 12 HG1 MET 12 1.045 -5.191 -4.588 95 1HE MET 12 HE1 MET 12 0.831 -4.067 -6.458 96 2HE MET 12 HE2 MET 12 1.097 -5.568 -7.342 97 3HE MET 12 HE3 MET 12 1.867 -4.083 -7.892 98 H TYR 13 HN TYR 13 4.240 -4.868 -0.308 99 HA TYR 13 HA TYR 13 6.391 -4.415 0.486 100 1HB TYR 13 HB2 TYR 13 6.828 -6.819 -1.256 101 2HB TYR 13 HB1 TYR 13 8.219 -5.968 -0.587 102 HD1 TYR 13 HD1 TYR 13 6.359 -8.724 -0.006 103 HD2 TYR 13 HD2 TYR 13 7.474 -5.105 2.016 104 HE1 TYR 13 HE1 TYR 13 5.982 -9.831 2.179 105 HE2 TYR 13 HE2 TYR 13 7.101 -6.209 4.203 106 HH TYR 13 HH TYR 13 7.106 -8.597 5.078 107 H ASP 14 HN ASP 14 5.368 -2.867 -1.757 108 HA ASP 14 HA ASP 14 7.964 -2.218 -3.093 109 1HB ASP 14 HB2 ASP 14 5.133 -1.971 -4.142 110 2HB ASP 14 HB1 ASP 14 6.533 -1.247 -4.930 111 H CYS 15 HN CYS 15 5.202 -1.046 -1.300 112 HA CYS 15 HA CYS 15 5.395 1.736 -1.746 113 1HB CYS 15 HB2 CYS 15 4.944 0.555 0.999 114 2HB CYS 15 HB1 CYS 15 4.282 2.045 0.328 115 H CYS 16 HN CYS 16 6.937 3.127 -1.412 116 HA CYS 16 HA CYS 16 9.505 2.409 -0.374 117 1HB CYS 16 HB2 CYS 16 8.722 4.284 -2.039 118 2HB CYS 16 HB1 CYS 16 8.564 5.243 -0.575 119 H THR 17 HN THR 17 6.654 3.842 1.105 120 HA THR 17 HA THR 17 8.153 3.898 3.691 121 HB THR 17 HB THR 17 7.943 6.194 3.223 122 HG1 THR 17 HG1 THR 17 5.444 6.000 4.398 123 1HG2 THR 17 HG21 THR 17 6.564 5.950 1.201 124 2HG2 THR 17 HG22 THR 17 5.896 7.192 2.259 125 3HG2 THR 17 HG23 THR 17 5.153 5.595 2.198 126 H GLY 18 HN GLY 18 7.085 2.922 5.375 127 1HA GLY 18 HA2 GLY 18 5.426 1.695 6.492 128 2HA GLY 18 HA1 GLY 18 4.259 2.722 5.657 129 H SER 19 HN SER 19 3.222 0.383 5.817 130 HA SER 19 HA SER 19 4.028 -1.188 3.407 131 1HB SER 19 HB2 SER 19 2.066 -2.563 4.953 132 2HB SER 19 HB1 SER 19 3.758 -2.995 4.715 133 HG SER 19 HG SER 19 2.563 -2.065 6.906 134 H CYS 20 HN CYS 20 1.744 -2.497 2.785 135 HA CYS 20 HA CYS 20 0.199 -0.558 1.374 136 1HB CYS 20 HB2 CYS 20 -0.155 -3.472 2.025 137 2HB CYS 20 HB1 CYS 20 -1.483 -2.579 1.283 138 H ARG 21 HN ARG 21 -0.842 1.005 2.594 139 HA ARG 21 HA ARG 21 -2.402 0.165 4.979 140 1HB ARG 21 HB2 ARG 21 -1.007 2.075 5.371 141 2HB ARG 21 HB1 ARG 21 -1.583 2.869 3.905 142 1HG ARG 21 HG2 ARG 21 -2.731 3.848 5.795 143 2HG ARG 21 HG1 ARG 21 -3.892 2.875 4.896 144 1HD ARG 21 HD2 ARG 21 -3.664 1.050 6.479 145 2HD ARG 21 HD1 ARG 21 -2.361 1.891 7.320 146 HE ARG 21 HE ARG 21 -4.502 3.661 7.428 147 1HH1 ARG 21 HH21 ARG 21 -3.894 0.373 8.290 148 2HH1 ARG 21 HH22 ARG 21 -5.044 0.365 9.584 149 1HH2 ARG 21 HH11 ARG 21 -6.005 3.662 9.111 150 2HH2 ARG 21 HH12 ARG 21 -6.241 2.223 10.046 151 H SER 22 HN SER 22 -4.628 0.171 4.972 152 HA SER 22 HA SER 22 -6.787 0.161 4.047 153 1HB SER 22 HB2 SER 22 -6.338 2.632 4.369 154 2HB SER 22 HB1 SER 22 -5.845 2.696 2.679 155 HG SER 22 HG SER 22 -8.371 2.115 3.799 156 H GLY 23 HN GLY 23 -4.671 -1.227 2.542 157 1HA GLY 23 HA2 GLY 23 -4.734 -2.467 0.523 158 2HA GLY 23 HA1 GLY 23 -6.128 -1.513 0.019 159 H LYS 24 HN LYS 24 -4.149 0.858 0.895 160 HA LYS 24 HA LYS 24 -2.913 0.985 -1.811 161 1HB LYS 24 HB2 LYS 24 -3.411 3.355 -0.012 162 2HB LYS 24 HB1 LYS 24 -3.121 3.349 -1.751 163 1HG LYS 24 HG2 LYS 24 -5.270 2.589 -2.243 164 2HG LYS 24 HG1 LYS 24 -5.486 1.880 -0.643 165 1HD LYS 24 HD2 LYS 24 -6.832 3.832 -0.601 166 2HD LYS 24 HD1 LYS 24 -5.356 4.299 0.247 167 1HE LYS 24 HE2 LYS 24 -4.779 4.805 -2.433 168 2HE LYS 24 HE1 LYS 24 -6.454 5.328 -2.252 169 1HZ LYS 24 HZ1 LYS 24 -4.216 6.713 -1.485 170 2HZ LYS 24 HZ2 LYS 24 -4.863 6.120 -0.030 171 3HZ LYS 24 HZ3 LYS 24 -5.819 7.071 -1.062 172 1H CYS 25 H1 CYS 25 2.481 2.782 1.436 173 H CYS 25 HN CYS 25 -0.877 2.453 -1.783 174 HA CYS 25 HA CYS 25 0.993 1.259 0.088 175 1HB CYS 25 HB2 CYS 25 1.154 3.147 -2.203 176 2HB CYS 25 HB1 CYS 25 2.429 3.282 -0.994 Start of MODEL 15 1 2H CYS 1 HT2 CYS 1 11.751 2.307 -5.313 2 3H CYS 1 HT3 CYS 1 10.595 3.019 -6.336 3 HA CYS 1 HA CYS 1 9.373 1.075 -4.671 4 1HB CYS 1 HB2 CYS 1 9.658 2.447 -2.562 5 2HB CYS 1 HB1 CYS 1 11.087 1.540 -3.047 6 H LYS 2 HN LYS 2 7.354 1.985 -3.908 7 HA LYS 2 HA LYS 2 6.548 4.370 -5.489 8 1HB LYS 2 HB2 LYS 2 5.154 1.989 -4.359 9 2HB LYS 2 HB1 LYS 2 4.223 3.481 -4.492 10 1HG LYS 2 HG2 LYS 2 5.868 2.561 -6.829 11 2HG LYS 2 HG1 LYS 2 4.306 1.804 -6.522 12 1HD LYS 2 HD2 LYS 2 3.549 4.361 -6.281 13 2HD LYS 2 HD1 LYS 2 4.927 4.601 -7.356 14 1HE LYS 2 HE2 LYS 2 3.997 2.918 -8.915 15 2HE LYS 2 HE1 LYS 2 2.606 2.713 -7.851 16 1HZ LYS 2 HZ1 LYS 2 3.015 5.453 -8.395 17 2HZ LYS 2 HZ2 LYS 2 1.658 4.489 -8.733 18 3HZ LYS 2 HZ3 LYS 2 2.928 4.594 -9.855 19 H GLY 3 HN GLY 3 4.894 5.830 -4.340 20 1HA GLY 3 HA2 GLY 3 5.924 6.411 -1.604 21 2HA GLY 3 HA1 GLY 3 5.104 7.574 -2.646 22 H LYS 4 HN LYS 4 4.147 7.324 -0.077 23 HA LYS 4 HA LYS 4 2.178 5.344 0.345 24 1HB LYS 4 HB2 LYS 4 1.552 6.614 2.179 25 2HB LYS 4 HB1 LYS 4 3.192 7.169 1.921 26 1HG LYS 4 HG2 LYS 4 2.022 8.950 0.365 27 2HG LYS 4 HG1 LYS 4 0.610 8.574 1.347 28 1HD LYS 4 HD2 LYS 4 2.367 8.870 3.335 29 2HD LYS 4 HD1 LYS 4 3.171 9.890 2.140 30 1HE LYS 4 HE2 LYS 4 0.354 10.456 2.106 31 2HE LYS 4 HE1 LYS 4 0.942 10.561 3.766 32 1HZ LYS 4 HZ1 LYS 4 2.238 11.890 1.449 33 2HZ LYS 4 HZ2 LYS 4 2.635 12.082 3.089 34 3HZ LYS 4 HZ3 LYS 4 1.149 12.658 2.499 35 H GLY 5 HN GLY 5 -0.142 5.550 0.206 36 1HA GLY 5 HA2 GLY 5 -2.161 6.138 -0.840 37 2HA GLY 5 HA1 GLY 5 -1.410 7.664 -1.298 38 H ALA 6 HN ALA 6 0.655 5.336 -2.402 39 HA ALA 6 HA ALA 6 -0.255 5.696 -5.148 40 1HB ALA 6 HB1 ALA 6 1.955 3.852 -4.263 41 2HB ALA 6 HB2 ALA 6 2.180 5.601 -4.323 42 3HB ALA 6 HB3 ALA 6 1.791 4.710 -5.795 43 H LYS 7 HN LYS 7 -1.842 3.972 -3.156 44 HA LYS 7 HA LYS 7 -3.059 2.006 -3.225 45 1HB LYS 7 HB2 LYS 7 -2.940 3.017 -5.846 46 2HB LYS 7 HB1 LYS 7 -2.653 1.276 -5.973 47 1HG LYS 7 HG2 LYS 7 -4.616 1.392 -4.072 48 2HG LYS 7 HG1 LYS 7 -5.072 2.711 -5.135 49 1HD LYS 7 HD2 LYS 7 -6.095 1.056 -6.333 50 2HD LYS 7 HD1 LYS 7 -4.474 0.826 -6.987 51 1HE LYS 7 HE2 LYS 7 -4.028 -1.005 -5.562 52 2HE LYS 7 HE1 LYS 7 -5.356 -0.594 -4.474 53 1HZ LYS 7 HZ1 LYS 7 -5.668 -2.495 -6.158 54 2HZ LYS 7 HZ2 LYS 7 -5.891 -1.254 -7.297 55 3HZ LYS 7 HZ3 LYS 7 -6.925 -1.375 -5.955 56 H CYS 8 HN CYS 8 -2.839 -0.279 -3.311 57 HA CYS 8 HA CYS 8 -0.679 -1.730 -4.392 58 1HB CYS 8 HB2 CYS 8 0.813 -1.994 -2.488 59 2HB CYS 8 HB1 CYS 8 0.694 -0.284 -2.870 60 H SER 9 HN SER 9 -0.393 -3.893 -3.081 61 HA SER 9 HA SER 9 -3.122 -4.745 -2.297 62 1HB SER 9 HB2 SER 9 -1.240 -5.958 -3.856 63 2HB SER 9 HB1 SER 9 -0.919 -6.724 -2.303 64 HG SER 9 HG SER 9 -3.560 -6.441 -3.231 65 H ARG 10 HN ARG 10 -2.441 -6.884 -0.586 66 HA ARG 10 HA ARG 10 -2.240 -5.546 1.924 67 1HB ARG 10 HB2 ARG 10 -2.293 -8.339 0.977 68 2HB ARG 10 HB1 ARG 10 -1.410 -8.107 2.486 69 1HG ARG 10 HG2 ARG 10 -3.300 -7.154 3.572 70 2HG ARG 10 HG1 ARG 10 -4.161 -6.938 2.047 71 1HD ARG 10 HD2 ARG 10 -3.537 -9.677 2.183 72 2HD ARG 10 HD1 ARG 10 -4.100 -9.249 3.796 73 HE ARG 10 HE ARG 10 -5.765 -9.623 1.543 74 1HH1 ARG 10 HH21 ARG 10 -5.217 -7.248 4.008 75 2HH1 ARG 10 HH22 ARG 10 -6.746 -6.478 3.765 76 1HH2 ARG 10 HH11 ARG 10 -7.759 -8.644 1.261 77 2HH2 ARG 10 HH12 ARG 10 -8.186 -7.270 2.226 78 H LEU 11 HN LEU 11 0.194 -7.722 0.439 79 HA LEU 11 HA LEU 11 2.304 -5.938 1.556 80 1HB LEU 11 HB2 LEU 11 1.928 -8.883 2.040 81 2HB LEU 11 HB1 LEU 11 3.547 -8.182 2.053 82 HG LEU 11 HG LEU 11 2.255 -6.378 3.603 83 1HD1 LEU 11 HD11 LEU 11 0.495 -8.658 3.412 84 2HD1 LEU 11 HD12 LEU 11 0.248 -7.143 4.279 85 3HD1 LEU 11 HD13 LEU 11 1.071 -8.488 5.070 86 1HD2 LEU 11 HD21 LEU 11 2.972 -8.272 5.466 87 2HD2 LEU 11 HD22 LEU 11 4.096 -7.157 4.687 88 3HD2 LEU 11 HD23 LEU 11 3.889 -8.789 4.050 89 H MET 12 HN MET 12 2.191 -5.389 -0.866 90 HA MET 12 HA MET 12 3.310 -7.453 -2.646 91 1HB MET 12 HB2 MET 12 1.831 -5.011 -2.984 92 2HB MET 12 HB1 MET 12 3.325 -4.912 -3.915 93 1HG MET 12 HG2 MET 12 1.427 -5.951 -5.188 94 2HG MET 12 HG1 MET 12 2.835 -7.004 -5.039 95 1HE MET 12 HE1 MET 12 1.084 -9.690 -5.123 96 2HE MET 12 HE2 MET 12 2.065 -9.925 -3.678 97 3HE MET 12 HE3 MET 12 2.668 -8.914 -4.989 98 H TYR 13 HN TYR 13 4.472 -5.007 -0.563 99 HA TYR 13 HA TYR 13 6.680 -4.354 -0.091 100 1HB TYR 13 HB2 TYR 13 7.710 -6.140 -2.272 101 2HB TYR 13 HB1 TYR 13 8.413 -5.793 -0.692 102 HD1 TYR 13 HD1 TYR 13 6.555 -8.145 -2.583 103 HD2 TYR 13 HD2 TYR 13 6.967 -6.544 1.382 104 HE1 TYR 13 HE1 TYR 13 5.454 -10.160 -1.654 105 HE2 TYR 13 HE2 TYR 13 5.868 -8.561 2.311 106 HH TYR 13 HH TYR 13 5.619 -11.321 0.934 107 H ASP 14 HN ASP 14 5.353 -2.588 -1.620 108 HA ASP 14 HA ASP 14 7.374 -1.820 -3.688 109 1HB ASP 14 HB2 ASP 14 5.271 -0.693 -4.798 110 2HB ASP 14 HB1 ASP 14 5.595 -2.407 -5.070 111 H CYS 15 HN CYS 15 5.637 -0.941 -0.894 112 HA CYS 15 HA CYS 15 5.536 1.924 -1.363 113 1HB CYS 15 HB2 CYS 15 5.553 0.455 1.290 114 2HB CYS 15 HB1 CYS 15 4.985 2.098 0.986 115 H CYS 16 HN CYS 16 7.144 3.277 -1.304 116 HA CYS 16 HA CYS 16 9.846 2.502 -0.724 117 1HB CYS 16 HB2 CYS 16 8.820 4.438 -2.201 118 2HB CYS 16 HB1 CYS 16 8.953 5.356 -0.706 119 H THR 17 HN THR 17 7.262 3.892 1.179 120 HA THR 17 HA THR 17 8.918 3.577 3.602 121 HB THR 17 HB THR 17 9.385 5.894 2.991 122 HG1 THR 17 HG1 THR 17 9.149 6.294 5.019 123 1HG2 THR 17 HG21 THR 17 7.686 7.497 2.526 124 2HG2 THR 17 HG22 THR 17 6.410 6.415 3.086 125 3HG2 THR 17 HG23 THR 17 7.259 6.072 1.578 126 H GLY 18 HN GLY 18 7.648 2.650 5.133 127 1HA GLY 18 HA2 GLY 18 5.669 2.466 6.490 128 2HA GLY 18 HA1 GLY 18 4.771 3.349 5.254 129 H SER 19 HN SER 19 3.228 1.466 5.642 130 HA SER 19 HA SER 19 4.014 -0.818 3.876 131 1HB SER 19 HB2 SER 19 1.948 -1.219 5.992 132 2HB SER 19 HB1 SER 19 3.108 -2.363 5.327 133 HG SER 19 HG SER 19 3.300 -0.941 7.544 134 H CYS 20 HN CYS 20 1.567 -2.042 3.646 135 HA CYS 20 HA CYS 20 0.131 -0.135 1.933 136 1HB CYS 20 HB2 CYS 20 0.029 -3.099 2.403 137 2HB CYS 20 HB1 CYS 20 -1.340 -2.292 1.633 138 H ARG 21 HN ARG 21 -1.455 1.126 2.813 139 HA ARG 21 HA ARG 21 -3.092 -0.057 5.021 140 1HB ARG 21 HB2 ARG 21 -1.720 1.729 5.941 141 2HB ARG 21 HB1 ARG 21 -2.210 2.822 4.644 142 1HG ARG 21 HG2 ARG 21 -4.432 2.964 5.447 143 2HG ARG 21 HG1 ARG 21 -4.243 1.538 6.467 144 1HD ARG 21 HD2 ARG 21 -3.431 2.764 8.179 145 2HD ARG 21 HD1 ARG 21 -2.290 3.600 7.123 146 HE ARG 21 HE ARG 21 -4.714 4.769 6.499 147 1HH1 ARG 21 HH21 ARG 21 -2.930 4.153 9.392 148 2HH1 ARG 21 HH22 ARG 21 -3.545 5.544 10.220 149 1HH2 ARG 21 HH11 ARG 21 -5.515 6.588 7.570 150 2HH2 ARG 21 HH12 ARG 21 -5.004 6.916 9.191 151 H SER 22 HN SER 22 -5.262 -0.102 4.617 152 HA SER 22 HA SER 22 -7.281 0.192 3.459 153 1HB SER 22 HB2 SER 22 -7.921 2.380 3.274 154 2HB SER 22 HB1 SER 22 -6.417 2.675 4.141 155 HG SER 22 HG SER 22 -5.739 3.662 2.426 156 H GLY 23 HN GLY 23 -4.860 -0.888 2.074 157 1HA GLY 23 HA2 GLY 23 -4.578 -1.780 -0.096 158 2HA GLY 23 HA1 GLY 23 -5.964 -0.829 -0.633 159 H LYS 24 HN LYS 24 -3.820 1.133 1.058 160 HA LYS 24 HA LYS 24 -2.534 1.998 -1.495 161 1HB LYS 24 HB2 LYS 24 -3.498 3.678 0.833 162 2HB LYS 24 HB1 LYS 24 -2.553 4.302 -0.523 163 1HG LYS 24 HG2 LYS 24 -4.285 3.642 -2.094 164 2HG LYS 24 HG1 LYS 24 -5.206 2.878 -0.804 165 1HD LYS 24 HD2 LYS 24 -6.274 4.865 -0.591 166 2HD LYS 24 HD1 LYS 24 -4.788 5.441 0.166 167 1HE LYS 24 HE2 LYS 24 -4.065 5.757 -2.392 168 2HE LYS 24 HE1 LYS 24 -5.810 5.904 -2.599 169 1HZ LYS 24 HZ1 LYS 24 -5.326 7.415 -0.409 170 2HZ LYS 24 HZ2 LYS 24 -5.500 8.012 -1.989 171 3HZ LYS 24 HZ3 LYS 24 -3.952 7.715 -1.357 172 1H CYS 25 H1 CYS 25 2.801 2.825 2.183 173 H CYS 25 HN CYS 25 -0.439 3.112 -1.184 174 HA CYS 25 HA CYS 25 1.257 1.590 0.624 175 1HB CYS 25 HB2 CYS 25 1.630 3.610 -1.509 176 2HB CYS 25 HB1 CYS 25 2.851 3.635 -0.237 Start of MODEL 16 1 2H CYS 1 HT2 CYS 1 10.403 1.395 -6.784 2 3H CYS 1 HT3 CYS 1 11.552 1.497 -5.536 3 HA CYS 1 HA CYS 1 9.137 0.821 -4.970 4 1HB CYS 1 HB2 CYS 1 9.384 2.334 -2.844 5 2HB CYS 1 HB1 CYS 1 10.581 1.078 -3.149 6 H LYS 2 HN LYS 2 7.342 2.180 -3.749 7 HA LYS 2 HA LYS 2 6.579 4.408 -5.590 8 1HB LYS 2 HB2 LYS 2 4.951 2.381 -4.056 9 2HB LYS 2 HB1 LYS 2 4.227 3.858 -4.693 10 1HG LYS 2 HG2 LYS 2 5.882 2.068 -6.463 11 2HG LYS 2 HG1 LYS 2 4.174 1.733 -6.180 12 1HD LYS 2 HD2 LYS 2 4.903 4.530 -6.908 13 2HD LYS 2 HD1 LYS 2 4.989 3.315 -8.185 14 1HE LYS 2 HE2 LYS 2 2.574 2.904 -6.695 15 2HE LYS 2 HE1 LYS 2 2.668 4.602 -7.160 16 1HZ LYS 2 HZ1 LYS 2 3.451 3.429 -9.411 17 2HZ LYS 2 HZ2 LYS 2 1.829 3.814 -9.076 18 3HZ LYS 2 HZ3 LYS 2 2.401 2.235 -8.819 19 H GLY 3 HN GLY 3 5.099 6.059 -4.498 20 1HA GLY 3 HA2 GLY 3 6.335 6.830 -1.911 21 2HA GLY 3 HA1 GLY 3 5.399 7.897 -2.960 22 H LYS 4 HN LYS 4 4.802 7.770 -0.227 23 HA LYS 4 HA LYS 4 2.827 5.877 0.485 24 1HB LYS 4 HB2 LYS 4 2.486 7.202 2.355 25 2HB LYS 4 HB1 LYS 4 4.104 7.670 1.887 26 1HG LYS 4 HG2 LYS 4 2.765 9.453 0.420 27 2HG LYS 4 HG1 LYS 4 1.561 9.203 1.683 28 1HD LYS 4 HD2 LYS 4 2.833 10.216 3.282 29 2HD LYS 4 HD1 LYS 4 4.337 9.552 2.644 30 1HE LYS 4 HE2 LYS 4 3.620 11.241 0.622 31 2HE LYS 4 HE1 LYS 4 2.995 12.111 2.024 32 1HZ LYS 4 HZ1 LYS 4 5.250 12.759 1.648 33 2HZ LYS 4 HZ2 LYS 4 5.772 11.143 1.621 34 3HZ LYS 4 HZ3 LYS 4 5.197 11.829 3.066 35 H GLY 5 HN GLY 5 0.545 6.101 0.557 36 1HA GLY 5 HA2 GLY 5 -1.566 6.659 -0.294 37 2HA GLY 5 HA1 GLY 5 -0.908 8.254 -0.650 38 H ALA 6 HN ALA 6 1.067 6.021 -2.161 39 HA ALA 6 HA ALA 6 -0.033 6.714 -4.771 40 1HB ALA 6 HB1 ALA 6 2.374 6.637 -4.513 41 2HB ALA 6 HB2 ALA 6 1.889 5.354 -5.622 42 3HB ALA 6 HB3 ALA 6 2.298 4.969 -3.950 43 H LYS 7 HN LYS 7 -1.679 4.921 -2.994 44 HA LYS 7 HA LYS 7 -2.957 3.001 -3.197 45 1HB LYS 7 HB2 LYS 7 -2.768 4.192 -5.738 46 2HB LYS 7 HB1 LYS 7 -2.550 2.455 -5.990 47 1HG LYS 7 HG2 LYS 7 -4.548 2.591 -4.081 48 2HG LYS 7 HG1 LYS 7 -4.932 3.914 -5.165 49 1HD LYS 7 HD2 LYS 7 -4.253 1.179 -6.232 50 2HD LYS 7 HD1 LYS 7 -5.902 1.596 -5.763 51 1HE LYS 7 HE2 LYS 7 -6.177 3.060 -7.511 52 2HE LYS 7 HE1 LYS 7 -4.479 3.537 -7.517 53 1HZ LYS 7 HZ1 LYS 7 -4.830 0.782 -8.183 54 2HZ LYS 7 HZ2 LYS 7 -4.001 2.002 -9.027 55 3HZ LYS 7 HZ3 LYS 7 -5.672 1.797 -9.250 56 H CYS 8 HN CYS 8 -2.839 0.698 -3.532 57 HA CYS 8 HA CYS 8 -0.603 -0.652 -4.659 58 1HB CYS 8 HB2 CYS 8 0.743 -1.167 -2.745 59 2HB CYS 8 HB1 CYS 8 0.557 0.582 -2.776 60 H SER 9 HN SER 9 -0.365 -2.917 -3.260 61 HA SER 9 HA SER 9 -3.145 -3.943 -3.203 62 1HB SER 9 HB2 SER 9 -1.574 -5.187 -4.581 63 2HB SER 9 HB1 SER 9 -0.458 -5.347 -3.229 64 HG SER 9 HG SER 9 -2.176 -7.080 -3.831 65 H ARG 10 HN ARG 10 -1.258 -6.020 -1.391 66 HA ARG 10 HA ARG 10 -2.151 -4.711 1.145 67 1HB ARG 10 HB2 ARG 10 -2.699 -7.342 0.070 68 2HB ARG 10 HB1 ARG 10 -1.852 -7.473 1.612 69 1HG ARG 10 HG2 ARG 10 -4.222 -7.367 2.081 70 2HG ARG 10 HG1 ARG 10 -3.503 -5.834 2.575 71 1HD ARG 10 HD2 ARG 10 -4.713 -4.678 1.066 72 2HD ARG 10 HD1 ARG 10 -4.307 -5.800 -0.230 73 HE ARG 10 HE ARG 10 -6.811 -5.671 1.081 74 1HH1 ARG 10 HH21 ARG 10 -4.423 -8.039 0.248 75 2HH1 ARG 10 HH22 ARG 10 -5.508 -9.371 0.445 76 1HH2 ARG 10 HH11 ARG 10 -8.219 -7.402 1.310 77 2HH2 ARG 10 HH12 ARG 10 -7.648 -9.013 1.032 78 H LEU 11 HN LEU 11 -0.078 -7.550 0.516 79 HA LEU 11 HA LEU 11 2.043 -6.154 2.095 80 1HB LEU 11 HB2 LEU 11 0.915 -8.811 2.255 81 2HB LEU 11 HB1 LEU 11 2.646 -8.908 1.928 82 HG LEU 11 HG LEU 11 2.105 -6.851 3.891 83 1HD1 LEU 11 HD11 LEU 11 1.204 -9.659 4.600 84 2HD1 LEU 11 HD12 LEU 11 0.126 -8.281 4.378 85 3HD1 LEU 11 HD13 LEU 11 1.291 -8.284 5.701 86 1HD2 LEU 11 HD21 LEU 11 3.475 -9.385 4.619 87 2HD2 LEU 11 HD22 LEU 11 4.014 -7.718 4.819 88 3HD2 LEU 11 HD23 LEU 11 4.152 -8.508 3.248 89 H MET 12 HN MET 12 1.551 -5.977 -0.850 90 HA MET 12 HA MET 12 3.413 -7.557 -2.307 91 1HB MET 12 HB2 MET 12 2.070 -4.924 -2.723 92 2HB MET 12 HB1 MET 12 3.473 -5.282 -3.730 93 1HG MET 12 HG2 MET 12 1.220 -7.265 -3.385 94 2HG MET 12 HG1 MET 12 1.178 -6.021 -4.634 95 1HE MET 12 HE1 MET 12 3.474 -9.264 -3.393 96 2HE MET 12 HE2 MET 12 2.780 -10.023 -4.824 97 3HE MET 12 HE3 MET 12 1.728 -9.207 -3.670 98 H TYR 13 HN TYR 13 3.874 -4.913 -0.111 99 HA TYR 13 HA TYR 13 5.834 -3.929 0.712 100 1HB TYR 13 HB2 TYR 13 6.796 -6.498 -0.487 101 2HB TYR 13 HB1 TYR 13 7.995 -5.294 -0.013 102 HD1 TYR 13 HD1 TYR 13 6.842 -4.043 2.342 103 HD2 TYR 13 HD2 TYR 13 6.796 -8.168 1.151 104 HE1 TYR 13 HE1 TYR 13 6.590 -4.723 4.712 105 HE2 TYR 13 HE2 TYR 13 6.544 -8.851 3.520 106 HH TYR 13 HH TYR 13 5.623 -6.784 5.939 107 H ASP 14 HN ASP 14 4.910 -2.544 -1.353 108 HA ASP 14 HA ASP 14 7.244 -2.164 -3.180 109 1HB ASP 14 HB2 ASP 14 4.325 -1.454 -3.602 110 2HB ASP 14 HB1 ASP 14 5.628 -1.111 -4.737 111 H CYS 15 HN CYS 15 4.828 -0.531 -1.156 112 HA CYS 15 HA CYS 15 5.387 2.150 -1.611 113 1HB CYS 15 HB2 CYS 15 5.198 0.991 1.179 114 2HB CYS 15 HB1 CYS 15 4.732 2.607 0.646 115 H CYS 16 HN CYS 16 7.138 3.316 -1.595 116 HA CYS 16 HA CYS 16 9.715 2.282 -0.895 117 1HB CYS 16 HB2 CYS 16 8.951 4.198 -2.526 118 2HB CYS 16 HB1 CYS 16 9.145 5.211 -1.101 119 H THR 17 HN THR 17 7.223 3.533 1.030 120 HA THR 17 HA THR 17 9.079 3.718 3.328 121 HB THR 17 HB THR 17 7.881 5.852 4.051 122 HG1 THR 17 HG1 THR 17 6.615 6.819 2.644 123 1HG2 THR 17 HG21 THR 17 10.209 5.610 2.922 124 2HG2 THR 17 HG22 THR 17 9.462 7.208 2.957 125 3HG2 THR 17 HG23 THR 17 9.407 6.239 1.483 126 H GLY 18 HN GLY 18 6.004 5.110 3.828 127 1HA GLY 18 HA2 GLY 18 5.127 3.392 5.801 128 2HA GLY 18 HA1 GLY 18 4.007 4.251 4.744 129 H SER 19 HN SER 19 3.291 1.746 5.667 130 HA SER 19 HA SER 19 3.934 -0.169 3.498 131 1HB SER 19 HB2 SER 19 2.471 -1.706 4.953 132 2HB SER 19 HB1 SER 19 4.012 -1.194 5.637 133 HG SER 19 HG SER 19 1.494 0.050 6.084 134 H CYS 20 HN CYS 20 1.610 -1.610 3.286 135 HA CYS 20 HA CYS 20 -0.053 0.213 1.705 136 1HB CYS 20 HB2 CYS 20 0.090 -2.744 2.151 137 2HB CYS 20 HB1 CYS 20 -1.400 -2.062 1.501 138 H ARG 21 HN ARG 21 -1.676 1.361 2.659 139 HA ARG 21 HA ARG 21 -2.995 0.158 5.053 140 1HB ARG 21 HB2 ARG 21 -1.821 2.419 5.237 141 2HB ARG 21 HB1 ARG 21 -3.133 3.064 4.253 142 1HG ARG 21 HG2 ARG 21 -4.462 1.566 6.161 143 2HG ARG 21 HG1 ARG 21 -3.125 2.265 7.073 144 1HD ARG 21 HD2 ARG 21 -4.207 4.234 7.131 145 2HD ARG 21 HD1 ARG 21 -4.159 4.304 5.369 146 HE ARG 21 HE ARG 21 -6.283 2.607 5.907 147 1HH1 ARG 21 HH21 ARG 21 -5.312 5.781 6.868 148 2HH1 ARG 21 HH22 ARG 21 -6.934 6.354 7.066 149 1HH2 ARG 21 HH11 ARG 21 -8.400 3.346 6.163 150 2HH2 ARG 21 HH12 ARG 21 -8.679 4.979 6.667 151 H SER 22 HN SER 22 -4.853 -0.765 4.513 152 HA SER 22 HA SER 22 -6.921 -1.163 3.477 153 1HB SER 22 HB2 SER 22 -6.871 1.511 4.301 154 2HB SER 22 HB1 SER 22 -7.458 1.572 2.640 155 HG SER 22 HG SER 22 -8.728 -0.413 3.598 156 H GLY 23 HN GLY 23 -4.296 -0.690 1.813 157 1HA GLY 23 HA2 GLY 23 -4.289 -1.532 -0.522 158 2HA GLY 23 HA1 GLY 23 -5.731 -0.560 -0.805 159 H LYS 24 HN LYS 24 -4.338 1.610 0.915 160 HA LYS 24 HA LYS 24 -2.932 2.833 -1.379 161 1HB LYS 24 HB2 LYS 24 -3.961 3.915 1.249 162 2HB LYS 24 HB1 LYS 24 -2.963 4.875 0.156 163 1HG LYS 24 HG2 LYS 24 -4.579 4.773 -1.581 164 2HG LYS 24 HG1 LYS 24 -5.466 3.475 -0.785 165 1HD LYS 24 HD2 LYS 24 -6.805 5.210 -0.113 166 2HD LYS 24 HD1 LYS 24 -5.588 5.344 1.157 167 1HE LYS 24 HE2 LYS 24 -5.723 7.541 0.334 168 2HE LYS 24 HE1 LYS 24 -4.332 6.882 -0.529 169 1HZ LYS 24 HZ1 LYS 24 -6.120 8.097 -1.867 170 2HZ LYS 24 HZ2 LYS 24 -7.049 6.690 -1.661 171 3HZ LYS 24 HZ3 LYS 24 -5.553 6.614 -2.462 172 1H CYS 25 H1 CYS 25 2.626 3.193 2.012 173 H CYS 25 HN CYS 25 -0.782 3.708 -1.156 174 HA CYS 25 HA CYS 25 0.956 2.071 0.496 175 1HB CYS 25 HB2 CYS 25 1.261 4.122 -1.593 176 2HB CYS 25 HB1 CYS 25 2.530 4.153 -0.370 Start of MODEL 17 1 2H CYS 1 HT2 CYS 1 10.069 1.093 -6.461 2 3H CYS 1 HT3 CYS 1 11.279 1.260 -5.279 3 HA CYS 1 HA CYS 1 8.998 0.599 -4.455 4 1HB CYS 1 HB2 CYS 1 9.156 2.445 -2.616 5 2HB CYS 1 HB1 CYS 1 10.483 1.299 -2.781 6 H LYS 2 HN LYS 2 7.009 1.720 -3.576 7 HA LYS 2 HA LYS 2 5.904 3.475 -5.680 8 1HB LYS 2 HB2 LYS 2 4.790 1.743 -3.525 9 2HB LYS 2 HB1 LYS 2 3.827 3.135 -4.021 10 1HG LYS 2 HG2 LYS 2 5.016 1.423 -6.161 11 2HG LYS 2 HG1 LYS 2 3.620 0.799 -5.282 12 1HD LYS 2 HD2 LYS 2 2.785 1.999 -7.194 13 2HD LYS 2 HD1 LYS 2 2.446 2.984 -5.774 14 1HE LYS 2 HE2 LYS 2 4.325 4.421 -6.233 15 2HE LYS 2 HE1 LYS 2 4.903 3.346 -7.507 16 1HZ LYS 2 HZ1 LYS 2 2.571 5.142 -7.512 17 2HZ LYS 2 HZ2 LYS 2 2.582 3.771 -8.514 18 3HZ LYS 2 HZ3 LYS 2 3.784 4.960 -8.683 19 H GLY 3 HN GLY 3 4.068 4.986 -4.337 20 1HA GLY 3 HA2 GLY 3 5.737 6.630 -2.473 21 2HA GLY 3 HA1 GLY 3 4.659 7.356 -3.668 22 H LYS 4 HN LYS 4 4.527 7.678 -0.737 23 HA LYS 4 HA LYS 4 2.635 6.108 0.548 24 1HB LYS 4 HB2 LYS 4 3.769 8.658 0.955 25 2HB LYS 4 HB1 LYS 4 2.026 8.857 1.098 26 1HG LYS 4 HG2 LYS 4 2.191 6.650 2.505 27 2HG LYS 4 HG1 LYS 4 3.870 7.127 2.704 28 1HD LYS 4 HD2 LYS 4 1.475 8.864 3.364 29 2HD LYS 4 HD1 LYS 4 2.466 8.006 4.544 30 1HE LYS 4 HE2 LYS 4 4.447 9.283 3.352 31 2HE LYS 4 HE1 LYS 4 3.162 10.388 2.861 32 1HZ LYS 4 HZ1 LYS 4 4.454 10.510 5.206 33 2HZ LYS 4 HZ2 LYS 4 3.084 9.603 5.640 34 3HZ LYS 4 HZ3 LYS 4 2.902 11.139 4.937 35 H GLY 5 HN GLY 5 0.387 6.260 0.779 36 1HA GLY 5 HA2 GLY 5 -1.769 6.212 -0.179 37 2HA GLY 5 HA1 GLY 5 -1.450 7.918 -0.480 38 H ALA 6 HN ALA 6 0.689 5.696 -2.059 39 HA ALA 6 HA ALA 6 -0.329 6.557 -4.656 40 1HB ALA 6 HB1 ALA 6 1.572 5.308 -5.570 41 2HB ALA 6 HB2 ALA 6 1.883 4.604 -3.982 42 3HB ALA 6 HB3 ALA 6 2.098 6.336 -4.238 43 H LYS 7 HN LYS 7 -2.009 4.719 -2.925 44 HA LYS 7 HA LYS 7 -3.346 2.850 -3.211 45 1HB LYS 7 HB2 LYS 7 -3.171 4.167 -5.685 46 2HB LYS 7 HB1 LYS 7 -2.980 2.444 -6.035 47 1HG LYS 7 HG2 LYS 7 -4.948 2.517 -4.085 48 2HG LYS 7 HG1 LYS 7 -5.329 3.885 -5.113 49 1HD LYS 7 HD2 LYS 7 -4.971 2.243 -7.091 50 2HD LYS 7 HD1 LYS 7 -5.132 0.979 -5.872 51 1HE LYS 7 HE2 LYS 7 -7.197 3.084 -5.736 52 2HE LYS 7 HE1 LYS 7 -7.243 2.102 -7.201 53 1HZ LYS 7 HZ1 LYS 7 -8.277 1.408 -4.783 54 2HZ LYS 7 HZ2 LYS 7 -6.811 0.548 -4.833 55 3HZ LYS 7 HZ3 LYS 7 -7.962 0.345 -6.068 56 H CYS 8 HN CYS 8 -3.283 0.553 -3.700 57 HA CYS 8 HA CYS 8 -1.069 -0.751 -4.918 58 1HB CYS 8 HB2 CYS 8 0.287 -1.398 -3.078 59 2HB CYS 8 HB1 CYS 8 0.066 0.338 -2.915 60 H SER 9 HN SER 9 -0.892 -3.002 -3.140 61 HA SER 9 HA SER 9 -3.700 -4.008 -3.306 62 1HB SER 9 HB2 SER 9 -1.155 -5.110 -4.242 63 2HB SER 9 HB1 SER 9 -2.099 -6.249 -3.286 64 HG SER 9 HG SER 9 -3.185 -6.495 -5.068 65 H ARG 10 HN ARG 10 -1.018 -5.698 -1.867 66 HA ARG 10 HA ARG 10 -2.035 -5.062 0.849 67 1HB ARG 10 HB2 ARG 10 -1.825 -7.832 -0.353 68 2HB ARG 10 HB1 ARG 10 -1.913 -7.549 1.386 69 1HG ARG 10 HG2 ARG 10 -4.074 -6.544 1.211 70 2HG ARG 10 HG1 ARG 10 -3.952 -6.426 -0.544 71 1HD ARG 10 HD2 ARG 10 -4.670 -8.543 -0.830 72 2HD ARG 10 HD1 ARG 10 -3.578 -9.165 0.404 73 HE ARG 10 HE ARG 10 -6.368 -8.804 0.732 74 1HH1 ARG 10 HH21 ARG 10 -3.424 -7.989 2.363 75 2HH1 ARG 10 HH22 ARG 10 -4.209 -7.671 3.868 76 1HH2 ARG 10 HH11 ARG 10 -7.379 -8.412 2.695 77 2HH2 ARG 10 HH12 ARG 10 -6.436 -7.922 4.063 78 H LEU 11 HN LEU 11 -0.105 -7.785 1.048 79 HA LEU 11 HA LEU 11 2.141 -6.200 2.007 80 1HB LEU 11 HB2 LEU 11 1.612 -9.168 1.788 81 2HB LEU 11 HB1 LEU 11 3.159 -8.528 2.345 82 HG LEU 11 HG LEU 11 1.647 -9.014 4.245 83 1HD1 LEU 11 HD11 LEU 11 2.247 -7.118 5.410 84 2HD1 LEU 11 HD12 LEU 11 1.701 -6.032 4.132 85 3HD1 LEU 11 HD13 LEU 11 3.239 -6.879 3.971 86 1HD2 LEU 11 HD21 LEU 11 -0.441 -7.877 4.513 87 2HD2 LEU 11 HD22 LEU 11 -0.444 -8.494 2.862 88 3HD2 LEU 11 HD23 LEU 11 -0.102 -6.792 3.165 89 H MET 12 HN MET 12 1.952 -5.492 -0.588 90 HA MET 12 HA MET 12 3.543 -7.205 -2.325 91 1HB MET 12 HB2 MET 12 2.850 -4.268 -2.637 92 2HB MET 12 HB1 MET 12 3.439 -5.342 -3.906 93 1HG MET 12 HG2 MET 12 1.140 -6.505 -2.581 94 2HG MET 12 HG1 MET 12 0.756 -4.897 -3.189 95 1HE MET 12 HE1 MET 12 1.777 -5.044 -6.890 96 2HE MET 12 HE2 MET 12 2.431 -4.324 -5.420 97 3HE MET 12 HE3 MET 12 0.702 -4.221 -5.751 98 H TYR 13 HN TYR 13 4.239 -5.029 0.190 99 HA TYR 13 HA TYR 13 6.234 -4.067 0.957 100 1HB TYR 13 HB2 TYR 13 7.414 -6.327 -0.685 101 2HB TYR 13 HB1 TYR 13 8.261 -5.415 0.561 102 HD1 TYR 13 HD1 TYR 13 6.152 -5.109 2.614 103 HD2 TYR 13 HD2 TYR 13 7.211 -8.500 0.201 104 HE1 TYR 13 HE1 TYR 13 5.238 -6.626 4.346 105 HE2 TYR 13 HE2 TYR 13 6.296 -10.019 1.932 106 HH TYR 13 HH TYR 13 5.857 -9.941 4.401 107 H ASP 14 HN ASP 14 5.196 -2.687 -1.202 108 HA ASP 14 HA ASP 14 7.595 -2.124 -2.896 109 1HB ASP 14 HB2 ASP 14 5.266 -2.774 -3.917 110 2HB ASP 14 HB1 ASP 14 4.838 -1.108 -3.529 111 H CYS 15 HN CYS 15 5.216 -0.760 -0.701 112 HA CYS 15 HA CYS 15 5.493 1.979 -1.050 113 1HB CYS 15 HB2 CYS 15 5.561 0.511 1.605 114 2HB CYS 15 HB1 CYS 15 5.202 2.226 1.387 115 H CYS 16 HN CYS 16 7.124 3.285 -1.163 116 HA CYS 16 HA CYS 16 9.833 2.451 -0.763 117 1HB CYS 16 HB2 CYS 16 8.694 4.380 -2.189 118 2HB CYS 16 HB1 CYS 16 9.071 5.330 -0.760 119 H THR 17 HN THR 17 7.452 3.842 1.361 120 HA THR 17 HA THR 17 9.358 3.632 3.595 121 HB THR 17 HB THR 17 9.592 5.975 2.613 122 HG1 THR 17 HG1 THR 17 10.247 5.970 4.629 123 1HG2 THR 17 HG21 THR 17 7.742 7.191 2.232 124 2HG2 THR 17 HG22 THR 17 7.276 7.047 3.929 125 3HG2 THR 17 HG23 THR 17 6.762 5.826 2.764 126 H GLY 18 HN GLY 18 7.259 1.984 3.323 127 1HA GLY 18 HA2 GLY 18 5.778 2.192 5.670 128 2HA GLY 18 HA1 GLY 18 4.796 3.012 4.455 129 H SER 19 HN SER 19 3.157 1.420 4.430 130 HA SER 19 HA SER 19 3.882 -1.030 2.925 131 1HB SER 19 HB2 SER 19 3.934 -1.626 5.353 132 2HB SER 19 HB1 SER 19 2.257 -1.105 5.485 133 HG SER 19 HG SER 19 2.750 -3.434 5.045 134 H CYS 20 HN CYS 20 1.349 -2.249 3.083 135 HA CYS 20 HA CYS 20 -0.223 -0.321 1.472 136 1HB CYS 20 HB2 CYS 20 -0.142 -3.296 1.761 137 2HB CYS 20 HB1 CYS 20 -1.656 -2.556 1.247 138 H ARG 21 HN ARG 21 -1.469 0.957 2.789 139 HA ARG 21 HA ARG 21 -3.115 -0.448 4.856 140 1HB ARG 21 HB2 ARG 21 -1.390 1.215 5.717 141 2HB ARG 21 HB1 ARG 21 -2.330 2.476 4.918 142 1HG ARG 21 HG2 ARG 21 -3.969 2.407 6.485 143 2HG ARG 21 HG1 ARG 21 -3.948 0.645 6.557 144 1HD ARG 21 HD2 ARG 21 -1.508 1.825 7.648 145 2HD ARG 21 HD1 ARG 21 -2.953 2.361 8.506 146 HE ARG 21 HE ARG 21 -3.284 -0.387 8.270 147 1HH1 ARG 21 HH21 ARG 21 -0.862 1.764 9.468 148 2HH1 ARG 21 HH22 ARG 21 -0.287 0.653 10.665 149 1HH2 ARG 21 HH11 ARG 21 -2.543 -1.841 9.828 150 2HH2 ARG 21 HH12 ARG 21 -1.238 -1.383 10.871 151 H SER 22 HN SER 22 -5.296 -0.257 4.600 152 HA SER 22 HA SER 22 -7.351 0.412 3.688 153 1HB SER 22 HB2 SER 22 -6.613 2.637 4.610 154 2HB SER 22 HB1 SER 22 -5.898 2.994 3.042 155 HG SER 22 HG SER 22 -7.820 3.383 2.285 156 H GLY 23 HN GLY 23 -4.870 -0.535 2.000 157 1HA GLY 23 HA2 GLY 23 -5.084 -1.436 -0.237 158 2HA GLY 23 HA1 GLY 23 -6.269 -0.179 -0.597 159 H LYS 24 HN LYS 24 -4.425 1.840 0.742 160 HA LYS 24 HA LYS 24 -2.706 2.259 -1.644 161 1HB LYS 24 HB2 LYS 24 -3.532 4.172 0.558 162 2HB LYS 24 HB1 LYS 24 -2.546 4.600 -0.840 163 1HG LYS 24 HG2 LYS 24 -4.324 4.372 -2.333 164 2HG LYS 24 HG1 LYS 24 -5.214 3.288 -1.264 165 1HD LYS 24 HD2 LYS 24 -4.682 6.068 -0.307 166 2HD LYS 24 HD1 LYS 24 -5.922 5.842 -1.539 167 1HE LYS 24 HE2 LYS 24 -5.877 4.113 0.927 168 2HE LYS 24 HE1 LYS 24 -6.634 5.705 0.959 169 1HZ LYS 24 HZ1 LYS 24 -7.318 3.977 -1.282 170 2HZ LYS 24 HZ2 LYS 24 -8.293 5.052 -0.400 171 3HZ LYS 24 HZ3 LYS 24 -7.926 3.518 0.234 172 1H CYS 25 H1 CYS 25 2.384 2.575 2.448 173 H CYS 25 HN CYS 25 -0.548 3.383 -1.120 174 HA CYS 25 HA CYS 25 0.977 1.645 0.603 175 1HB CYS 25 HB2 CYS 25 1.507 3.817 -1.257 176 2HB CYS 25 HB1 CYS 25 2.526 3.935 0.175 Start of MODEL 18 1 2H CYS 1 HT2 CYS 1 10.882 3.048 -5.809 2 3H CYS 1 HT3 CYS 1 10.141 1.812 -6.709 3 HA CYS 1 HA CYS 1 9.047 0.938 -4.826 4 1HB CYS 1 HB2 CYS 1 9.462 2.277 -2.615 5 2HB CYS 1 HB1 CYS 1 10.604 1.022 -3.084 6 H LYS 2 HN LYS 2 7.016 1.785 -4.312 7 HA LYS 2 HA LYS 2 6.395 4.389 -5.516 8 1HB LYS 2 HB2 LYS 2 4.799 2.110 -4.380 9 2HB LYS 2 HB1 LYS 2 4.029 3.678 -4.622 10 1HG LYS 2 HG2 LYS 2 3.765 2.191 -6.600 11 2HG LYS 2 HG1 LYS 2 4.665 3.657 -6.985 12 1HD LYS 2 HD2 LYS 2 6.790 2.424 -6.724 13 2HD LYS 2 HD1 LYS 2 5.887 0.955 -6.356 14 1HE LYS 2 HE2 LYS 2 6.334 0.737 -8.656 15 2HE LYS 2 HE1 LYS 2 4.694 1.386 -8.628 16 1HZ LYS 2 HZ1 LYS 2 7.034 2.527 -9.724 17 2HZ LYS 2 HZ2 LYS 2 6.404 3.560 -8.531 18 3HZ LYS 2 HZ3 LYS 2 5.432 3.070 -9.836 19 H GLY 3 HN GLY 3 4.503 5.536 -4.031 20 1HA GLY 3 HA2 GLY 3 5.753 5.935 -1.339 21 2HA GLY 3 HA1 GLY 3 5.120 7.279 -2.293 22 H LYS 4 HN LYS 4 4.069 6.953 0.232 23 HA LYS 4 HA LYS 4 1.864 5.235 0.513 24 1HB LYS 4 HB2 LYS 4 2.646 7.885 1.645 25 2HB LYS 4 HB1 LYS 4 1.039 7.264 1.963 26 1HG LYS 4 HG2 LYS 4 1.811 5.722 3.409 27 2HG LYS 4 HG1 LYS 4 3.072 5.213 2.292 28 1HD LYS 4 HD2 LYS 4 4.124 6.119 4.292 29 2HD LYS 4 HD1 LYS 4 4.396 7.238 2.955 30 1HE LYS 4 HE2 LYS 4 3.187 8.879 3.941 31 2HE LYS 4 HE1 LYS 4 1.896 7.765 4.391 32 1HZ LYS 4 HZ1 LYS 4 2.797 7.390 6.402 33 2HZ LYS 4 HZ2 LYS 4 3.533 8.901 6.147 34 3HZ LYS 4 HZ3 LYS 4 4.394 7.469 5.839 35 H GLY 5 HN GLY 5 -0.356 5.569 0.141 36 1HA GLY 5 HA2 GLY 5 -2.271 6.450 -0.918 37 2HA GLY 5 HA1 GLY 5 -1.352 7.918 -1.252 38 H ALA 6 HN ALA 6 0.612 5.580 -2.391 39 HA ALA 6 HA ALA 6 -0.175 6.086 -5.153 40 1HB ALA 6 HB1 ALA 6 1.844 4.888 -5.742 41 2HB ALA 6 HB2 ALA 6 1.979 4.235 -4.110 42 3HB ALA 6 HB3 ALA 6 2.209 5.960 -4.391 43 H LYS 7 HN LYS 7 -1.980 4.388 -3.391 44 HA LYS 7 HA LYS 7 -3.246 2.463 -3.578 45 1HB LYS 7 HB2 LYS 7 -2.924 3.554 -6.142 46 2HB LYS 7 HB1 LYS 7 -2.677 1.812 -6.325 47 1HG LYS 7 HG2 LYS 7 -4.783 2.006 -4.527 48 2HG LYS 7 HG1 LYS 7 -5.117 3.269 -5.700 49 1HD LYS 7 HD2 LYS 7 -4.210 0.781 -6.953 50 2HD LYS 7 HD1 LYS 7 -5.708 0.584 -6.042 51 1HE LYS 7 HE2 LYS 7 -6.590 2.635 -7.243 52 2HE LYS 7 HE1 LYS 7 -5.162 2.553 -8.277 53 1HZ LYS 7 HZ1 LYS 7 -6.391 0.010 -8.068 54 2HZ LYS 7 HZ2 LYS 7 -6.085 0.941 -9.455 55 3HZ LYS 7 HZ3 LYS 7 -7.526 1.160 -8.582 56 H CYS 8 HN CYS 8 -3.140 0.138 -3.835 57 HA CYS 8 HA CYS 8 -0.866 -1.265 -4.790 58 1HB CYS 8 HB2 CYS 8 0.424 -1.690 -2.862 59 2HB CYS 8 HB1 CYS 8 0.128 0.042 -2.810 60 H SER 9 HN SER 9 -0.809 -3.336 -2.777 61 HA SER 9 HA SER 9 -3.613 -4.334 -3.013 62 1HB SER 9 HB2 SER 9 -1.146 -5.491 -3.890 63 2HB SER 9 HB1 SER 9 -1.830 -6.507 -2.624 64 HG SER 9 HG SER 9 -3.367 -5.493 -4.774 65 H ARG 10 HN ARG 10 -0.925 -5.700 -1.228 66 HA ARG 10 HA ARG 10 -1.996 -4.785 1.345 67 1HB ARG 10 HB2 ARG 10 -2.512 -7.497 0.262 68 2HB ARG 10 HB1 ARG 10 -1.976 -7.428 1.940 69 1HG ARG 10 HG2 ARG 10 -3.796 -5.440 1.989 70 2HG ARG 10 HG1 ARG 10 -4.499 -6.442 0.716 71 1HD ARG 10 HD2 ARG 10 -3.559 -8.003 3.003 72 2HD ARG 10 HD1 ARG 10 -4.811 -6.846 3.445 73 HE ARG 10 HE ARG 10 -5.255 -9.299 2.092 74 1HH1 ARG 10 HH21 ARG 10 -6.060 -5.944 1.757 75 2HH1 ARG 10 HH22 ARG 10 -7.379 -6.249 0.680 76 1HH2 ARG 10 HH11 ARG 10 -6.982 -9.687 0.715 77 2HH2 ARG 10 HH12 ARG 10 -7.906 -8.358 0.099 78 H LEU 11 HN LEU 11 -0.032 -7.577 0.236 79 HA LEU 11 HA LEU 11 2.120 -6.591 2.054 80 1HB LEU 11 HB2 LEU 11 1.426 -9.339 1.009 81 2HB LEU 11 HB1 LEU 11 2.988 -8.991 1.750 82 HG LEU 11 HG LEU 11 1.250 -7.858 3.552 83 1HD1 LEU 11 HD11 LEU 11 -0.033 -10.307 2.319 84 2HD1 LEU 11 HD12 LEU 11 -0.749 -8.712 2.557 85 3HD1 LEU 11 HD13 LEU 11 -0.420 -9.747 3.946 86 1HD2 LEU 11 HD21 LEU 11 3.121 -9.228 4.205 87 2HD2 LEU 11 HD22 LEU 11 2.428 -10.649 3.421 88 3HD2 LEU 11 HD23 LEU 11 1.675 -9.988 4.873 89 H MET 12 HN MET 12 1.540 -5.744 -0.810 90 HA MET 12 HA MET 12 3.460 -6.838 -2.590 91 1HB MET 12 HB2 MET 12 2.129 -4.152 -2.346 92 2HB MET 12 HB1 MET 12 3.425 -4.375 -3.521 93 1HG MET 12 HG2 MET 12 1.707 -6.630 -3.739 94 2HG MET 12 HG1 MET 12 0.681 -5.196 -3.713 95 1HE MET 12 HE1 MET 12 1.865 -7.556 -5.943 96 2HE MET 12 HE2 MET 12 3.500 -7.163 -5.423 97 3HE MET 12 HE3 MET 12 3.021 -6.867 -7.092 98 H TYR 13 HN TYR 13 3.800 -4.674 0.120 99 HA TYR 13 HA TYR 13 5.680 -3.620 1.048 100 1HB TYR 13 HB2 TYR 13 6.603 -6.276 0.039 101 2HB TYR 13 HB1 TYR 13 7.826 -5.132 0.593 102 HD1 TYR 13 HD1 TYR 13 8.518 -5.996 2.677 103 HD2 TYR 13 HD2 TYR 13 4.329 -5.585 1.819 104 HE1 TYR 13 HE1 TYR 13 7.980 -6.556 5.030 105 HE2 TYR 13 HE2 TYR 13 3.792 -6.144 4.172 106 HH TYR 13 HH TYR 13 5.730 -7.632 6.196 107 H ASP 14 HN ASP 14 4.972 -2.789 -1.679 108 HA ASP 14 HA ASP 14 7.634 -2.319 -2.915 109 1HB ASP 14 HB2 ASP 14 4.985 -2.636 -3.937 110 2HB ASP 14 HB1 ASP 14 5.529 -1.006 -4.338 111 H CYS 15 HN CYS 15 5.136 -0.735 -1.087 112 HA CYS 15 HA CYS 15 5.581 1.979 -1.693 113 1HB CYS 15 HB2 CYS 15 5.195 0.946 1.124 114 2HB CYS 15 HB1 CYS 15 4.679 2.493 0.452 115 H CYS 16 HN CYS 16 7.265 3.198 -1.574 116 HA CYS 16 HA CYS 16 9.814 2.314 -0.613 117 1HB CYS 16 HB2 CYS 16 9.010 4.170 -2.360 118 2HB CYS 16 HB1 CYS 16 9.210 5.207 -0.956 119 H THR 17 HN THR 17 7.103 3.607 0.998 120 HA THR 17 HA THR 17 8.795 4.582 3.254 121 HB THR 17 HB THR 17 6.708 5.682 4.045 122 HG1 THR 17 HG1 THR 17 5.672 4.072 2.112 123 1HG2 THR 17 HG21 THR 17 6.477 7.210 1.966 124 2HG2 THR 17 HG22 THR 17 7.729 6.188 1.257 125 3HG2 THR 17 HG23 THR 17 8.059 7.093 2.735 126 H GLY 18 HN GLY 18 5.786 4.017 4.507 127 1HA GLY 18 HA2 GLY 18 6.693 1.735 6.026 128 2HA GLY 18 HA1 GLY 18 5.073 2.428 6.081 129 H SER 19 HN SER 19 3.652 0.809 5.644 130 HA SER 19 HA SER 19 4.275 -0.985 3.328 131 1HB SER 19 HB2 SER 19 4.119 -1.906 5.813 132 2HB SER 19 HB1 SER 19 2.388 -1.822 5.503 133 HG SER 19 HG SER 19 2.608 -3.555 4.353 134 H CYS 20 HN CYS 20 1.871 -2.142 2.894 135 HA CYS 20 HA CYS 20 0.364 -0.117 1.555 136 1HB CYS 20 HB2 CYS 20 -0.030 -3.014 2.178 137 2HB CYS 20 HB1 CYS 20 -1.434 -2.085 1.654 138 H ARG 21 HN ARG 21 -1.804 0.628 2.041 139 HA ARG 21 HA ARG 21 -2.761 0.219 4.814 140 1HB ARG 21 HB2 ARG 21 -1.271 2.191 4.920 141 2HB ARG 21 HB1 ARG 21 -2.207 2.961 3.640 142 1HG ARG 21 HG2 ARG 21 -4.137 3.147 5.015 143 2HG ARG 21 HG1 ARG 21 -3.490 2.015 6.205 144 1HD ARG 21 HD2 ARG 21 -1.818 3.590 6.917 145 2HD ARG 21 HD1 ARG 21 -2.183 4.672 5.573 146 HE ARG 21 HE ARG 21 -4.587 4.469 6.940 147 1HH1 ARG 21 HH21 ARG 21 -1.317 5.264 7.725 148 2HH1 ARG 21 HH22 ARG 21 -1.752 6.350 9.001 149 1HH2 ARG 21 HH11 ARG 21 -5.164 5.882 8.603 150 2HH2 ARG 21 HH12 ARG 21 -3.927 6.698 9.499 151 H SER 22 HN SER 22 -4.920 -0.126 4.694 152 HA SER 22 HA SER 22 -7.085 -0.220 3.799 153 1HB SER 22 HB2 SER 22 -6.386 2.558 2.812 154 2HB SER 22 HB1 SER 22 -8.000 1.915 3.101 155 HG SER 22 HG SER 22 -7.709 2.100 5.208 156 H GLY 23 HN GLY 23 -4.716 -0.984 2.053 157 1HA GLY 23 HA2 GLY 23 -4.934 -2.105 -0.086 158 2HA GLY 23 HA1 GLY 23 -6.245 -1.000 -0.496 159 H LYS 24 HN LYS 24 -4.553 1.300 0.551 160 HA LYS 24 HA LYS 24 -3.059 1.691 -1.969 161 1HB LYS 24 HB2 LYS 24 -3.873 3.579 0.252 162 2HB LYS 24 HB1 LYS 24 -2.841 4.067 -1.093 163 1HG LYS 24 HG2 LYS 24 -4.698 3.124 -2.615 164 2HG LYS 24 HG1 LYS 24 -5.709 3.150 -1.175 165 1HD LYS 24 HD2 LYS 24 -5.867 5.421 -1.165 166 2HD LYS 24 HD1 LYS 24 -4.191 5.635 -1.671 167 1HE LYS 24 HE2 LYS 24 -4.707 5.422 -3.939 168 2HE LYS 24 HE1 LYS 24 -6.192 4.527 -3.619 169 1HZ LYS 24 HZ1 LYS 24 -6.563 6.845 -4.336 170 2HZ LYS 24 HZ2 LYS 24 -5.782 7.384 -2.927 171 3HZ LYS 24 HZ3 LYS 24 -7.231 6.502 -2.816 172 1H CYS 25 H1 CYS 25 2.559 2.851 1.417 173 H CYS 25 HN CYS 25 -0.955 3.112 -1.554 174 HA CYS 25 HA CYS 25 0.844 1.390 -0.058 175 1HB CYS 25 HB2 CYS 25 1.070 3.577 -1.953 176 2HB CYS 25 HB1 CYS 25 2.196 3.786 -0.612 Start of MODEL 19 1 2H CYS 1 HT2 CYS 1 11.505 1.690 -5.596 2 3H CYS 1 HT3 CYS 1 10.787 3.149 -6.095 3 HA CYS 1 HA CYS 1 9.212 0.981 -4.833 4 1HB CYS 1 HB2 CYS 1 9.415 2.543 -2.782 5 2HB CYS 1 HB1 CYS 1 10.765 1.467 -3.127 6 H LYS 2 HN LYS 2 7.354 2.200 -3.634 7 HA LYS 2 HA LYS 2 6.374 4.345 -5.474 8 1HB LYS 2 HB2 LYS 2 5.057 2.014 -4.157 9 2HB LYS 2 HB1 LYS 2 4.104 3.486 -4.350 10 1HG LYS 2 HG2 LYS 2 5.644 2.775 -6.747 11 2HG LYS 2 HG1 LYS 2 4.448 1.559 -6.294 12 1HD LYS 2 HD2 LYS 2 3.134 4.005 -5.944 13 2HD LYS 2 HD1 LYS 2 4.033 4.191 -7.452 14 1HE LYS 2 HE2 LYS 2 2.651 1.594 -7.094 15 2HE LYS 2 HE1 LYS 2 1.600 2.995 -7.307 16 1HZ LYS 2 HZ1 LYS 2 2.786 3.561 -9.314 17 2HZ LYS 2 HZ2 LYS 2 2.214 1.965 -9.421 18 3HZ LYS 2 HZ3 LYS 2 3.855 2.265 -9.096 19 H GLY 3 HN GLY 3 4.757 5.843 -4.346 20 1HA GLY 3 HA2 GLY 3 5.839 6.541 -1.652 21 2HA GLY 3 HA1 GLY 3 5.073 7.686 -2.755 22 H LYS 4 HN LYS 4 4.273 7.151 0.025 23 HA LYS 4 HA LYS 4 2.070 5.434 0.250 24 1HB LYS 4 HB2 LYS 4 1.629 6.531 2.239 25 2HB LYS 4 HB1 LYS 4 3.315 6.929 2.000 26 1HG LYS 4 HG2 LYS 4 2.352 9.008 0.715 27 2HG LYS 4 HG1 LYS 4 0.901 8.669 1.651 28 1HD LYS 4 HD2 LYS 4 1.950 9.085 3.695 29 2HD LYS 4 HD1 LYS 4 3.559 8.772 3.044 30 1HE LYS 4 HE2 LYS 4 2.759 11.254 3.510 31 2HE LYS 4 HE1 LYS 4 3.734 10.880 2.090 32 1HZ LYS 4 HZ1 LYS 4 1.873 10.915 0.711 33 2HZ LYS 4 HZ2 LYS 4 1.637 12.244 1.742 34 3HZ LYS 4 HZ3 LYS 4 0.781 10.799 2.004 35 H GLY 5 HN GLY 5 -0.198 5.895 0.158 36 1HA GLY 5 HA2 GLY 5 -2.147 6.920 -0.697 37 2HA GLY 5 HA1 GLY 5 -1.170 8.320 -1.131 38 H ALA 6 HN ALA 6 0.630 6.101 -2.544 39 HA ALA 6 HA ALA 6 -0.588 6.525 -5.151 40 1HB ALA 6 HB1 ALA 6 1.382 5.270 -5.996 41 2HB ALA 6 HB2 ALA 6 1.851 4.934 -4.329 42 3HB ALA 6 HB3 ALA 6 1.842 6.596 -4.925 43 H LYS 7 HN LYS 7 -2.259 4.920 -3.428 44 HA LYS 7 HA LYS 7 -3.437 2.912 -3.416 45 1HB LYS 7 HB2 LYS 7 -3.090 3.797 -6.106 46 2HB LYS 7 HB1 LYS 7 -3.005 2.032 -6.083 47 1HG LYS 7 HG2 LYS 7 -5.047 2.464 -4.348 48 2HG LYS 7 HG1 LYS 7 -5.267 3.812 -5.446 49 1HD LYS 7 HD2 LYS 7 -5.418 2.359 -7.356 50 2HD LYS 7 HD1 LYS 7 -4.923 0.964 -6.397 51 1HE LYS 7 HE2 LYS 7 -7.331 0.879 -6.683 52 2HE LYS 7 HE1 LYS 7 -6.983 1.267 -4.999 53 1HZ LYS 7 HZ1 LYS 7 -7.906 3.072 -7.148 54 2HZ LYS 7 HZ2 LYS 7 -7.163 3.675 -5.744 55 3HZ LYS 7 HZ3 LYS 7 -8.608 2.789 -5.630 56 H CYS 8 HN CYS 8 -3.259 0.512 -3.878 57 HA CYS 8 HA CYS 8 -0.821 -0.730 -4.624 58 1HB CYS 8 HB2 CYS 8 0.284 -1.175 -2.586 59 2HB CYS 8 HB1 CYS 8 -0.095 0.538 -2.511 60 H SER 9 HN SER 9 -0.722 -3.027 -3.278 61 HA SER 9 HA SER 9 -3.500 -4.078 -3.498 62 1HB SER 9 HB2 SER 9 -0.798 -5.235 -4.038 63 2HB SER 9 HB1 SER 9 -2.091 -6.322 -3.538 64 HG SER 9 HG SER 9 -2.692 -4.423 -5.485 65 H ARG 10 HN ARG 10 -1.189 -6.079 -1.935 66 HA ARG 10 HA ARG 10 -2.316 -5.305 0.716 67 1HB ARG 10 HB2 ARG 10 -1.799 -8.147 -0.207 68 2HB ARG 10 HB1 ARG 10 -2.538 -7.647 1.314 69 1HG ARG 10 HG2 ARG 10 -3.663 -7.178 -1.463 70 2HG ARG 10 HG1 ARG 10 -4.278 -8.324 -0.271 71 1HD ARG 10 HD2 ARG 10 -4.182 -5.917 1.124 72 2HD ARG 10 HD1 ARG 10 -4.740 -5.448 -0.482 73 HE ARG 10 HE ARG 10 -6.270 -7.683 0.159 74 1HH1 ARG 10 HH21 ARG 10 -5.566 -4.614 1.577 75 2HH1 ARG 10 HH22 ARG 10 -7.097 -4.489 2.377 76 1HH2 ARG 10 HH11 ARG 10 -8.269 -7.531 1.199 77 2HH2 ARG 10 HH12 ARG 10 -8.623 -6.138 2.166 78 H LEU 11 HN LEU 11 -0.245 -8.059 0.702 79 HA LEU 11 HA LEU 11 1.883 -6.396 1.919 80 1HB LEU 11 HB2 LEU 11 1.052 -9.243 2.075 81 2HB LEU 11 HB1 LEU 11 2.785 -8.935 2.191 82 HG LEU 11 HG LEU 11 1.783 -6.980 3.826 83 1HD1 LEU 11 HD11 LEU 11 0.087 -9.459 4.258 84 2HD1 LEU 11 HD12 LEU 11 -0.506 -7.950 3.562 85 3HD1 LEU 11 HD13 LEU 11 0.062 -7.986 5.230 86 1HD2 LEU 11 HD21 LEU 11 3.182 -9.498 4.066 87 2HD2 LEU 11 HD22 LEU 11 2.130 -9.263 5.460 88 3HD2 LEU 11 HD23 LEU 11 3.342 -8.048 5.056 89 H MET 12 HN MET 12 2.274 -5.595 -0.415 90 HA MET 12 HA MET 12 3.837 -7.543 -2.026 91 1HB MET 12 HB2 MET 12 2.735 -4.785 -2.607 92 2HB MET 12 HB1 MET 12 3.855 -5.603 -3.696 93 1HG MET 12 HG2 MET 12 1.294 -6.896 -2.740 94 2HG MET 12 HG1 MET 12 1.372 -5.922 -4.209 95 1HE MET 12 HE1 MET 12 0.500 -9.026 -3.921 96 2HE MET 12 HE2 MET 12 1.169 -9.629 -5.436 97 3HE MET 12 HE3 MET 12 0.390 -8.049 -5.391 98 H TYR 13 HN TYR 13 4.188 -4.581 -0.157 99 HA TYR 13 HA TYR 13 6.157 -3.679 0.780 100 1HB TYR 13 HB2 TYR 13 7.774 -5.651 -0.837 101 2HB TYR 13 HB1 TYR 13 8.200 -4.872 0.685 102 HD1 TYR 13 HD1 TYR 13 5.548 -5.229 2.109 103 HD2 TYR 13 HD2 TYR 13 7.939 -7.948 -0.200 104 HE1 TYR 13 HE1 TYR 13 4.586 -7.139 3.363 105 HE2 TYR 13 HE2 TYR 13 6.976 -9.859 1.050 106 HH TYR 13 HH TYR 13 4.347 -9.920 2.575 107 H ASP 14 HN ASP 14 4.920 -2.646 -1.559 108 HA ASP 14 HA ASP 14 7.181 -1.943 -3.357 109 1HB ASP 14 HB2 ASP 14 4.370 -0.924 -3.691 110 2HB ASP 14 HB1 ASP 14 5.586 -1.255 -4.926 111 H CYS 15 HN CYS 15 5.170 -0.624 -0.835 112 HA CYS 15 HA CYS 15 5.486 2.154 -1.292 113 1HB CYS 15 HB2 CYS 15 5.552 0.816 1.423 114 2HB CYS 15 HB1 CYS 15 5.018 2.453 1.043 115 H CYS 16 HN CYS 16 7.177 3.415 -1.304 116 HA CYS 16 HA CYS 16 9.848 2.461 -0.968 117 1HB CYS 16 HB2 CYS 16 8.840 4.495 -2.295 118 2HB CYS 16 HB1 CYS 16 9.130 5.361 -0.793 119 H THR 17 HN THR 17 7.613 4.075 1.243 120 HA THR 17 HA THR 17 9.508 3.503 3.438 121 HB THR 17 HB THR 17 9.859 5.679 4.130 122 HG1 THR 17 HG1 THR 17 8.323 7.348 3.199 123 1HG2 THR 17 HG21 THR 17 10.722 5.336 1.770 124 2HG2 THR 17 HG22 THR 17 10.468 7.019 2.234 125 3HG2 THR 17 HG23 THR 17 9.293 6.202 1.204 126 H GLY 18 HN GLY 18 6.938 2.408 2.749 127 1HA GLY 18 HA2 GLY 18 5.612 2.755 5.317 128 2HA GLY 18 HA1 GLY 18 4.686 3.450 3.987 129 H SER 19 HN SER 19 3.032 1.838 4.371 130 HA SER 19 HA SER 19 3.606 -0.695 2.950 131 1HB SER 19 HB2 SER 19 2.212 -1.831 4.871 132 2HB SER 19 HB1 SER 19 3.940 -1.573 5.090 133 HG SER 19 HG SER 19 3.530 -0.114 6.563 134 H CYS 20 HN CYS 20 1.454 -1.881 2.551 135 HA CYS 20 HA CYS 20 -0.409 -0.141 1.326 136 1HB CYS 20 HB2 CYS 20 -0.427 -3.012 2.139 137 2HB CYS 20 HB1 CYS 20 -1.982 -2.269 1.761 138 H ARG 21 HN ARG 21 -1.923 1.186 2.216 139 HA ARG 21 HA ARG 21 -2.847 0.544 4.989 140 1HB ARG 21 HB2 ARG 21 -1.395 2.547 4.874 141 2HB ARG 21 HB1 ARG 21 -2.537 3.288 3.757 142 1HG ARG 21 HG2 ARG 21 -4.292 3.236 5.432 143 2HG ARG 21 HG1 ARG 21 -3.259 2.330 6.538 144 1HD ARG 21 HD2 ARG 21 -1.931 4.173 7.027 145 2HD ARG 21 HD1 ARG 21 -2.283 4.963 5.490 146 HE ARG 21 HE ARG 21 -4.728 4.920 6.791 147 1HH1 ARG 21 HH21 ARG 21 -1.527 5.988 7.534 148 2HH1 ARG 21 HH22 ARG 21 -2.060 7.281 8.555 149 1HH2 ARG 21 HH11 ARG 21 -5.430 6.594 8.119 150 2HH2 ARG 21 HH12 ARG 21 -4.267 7.623 8.889 151 H SER 22 HN SER 22 -4.750 -0.394 4.533 152 HA SER 22 HA SER 22 -7.044 -0.493 4.042 153 1HB SER 22 HB2 SER 22 -7.116 2.295 3.006 154 2HB SER 22 HB1 SER 22 -8.229 1.471 4.094 155 HG SER 22 HG SER 22 -6.215 1.526 5.539 156 H GLY 23 HN GLY 23 -4.627 -0.120 1.823 157 1HA GLY 23 HA2 GLY 23 -5.401 -1.441 -0.303 158 2HA GLY 23 HA1 GLY 23 -6.492 -0.072 -0.502 159 H LYS 24 HN LYS 24 -4.450 1.860 0.516 160 HA LYS 24 HA LYS 24 -2.850 1.983 -1.990 161 1HB LYS 24 HB2 LYS 24 -2.892 4.280 -0.101 162 2HB LYS 24 HB1 LYS 24 -2.924 4.274 -1.861 163 1HG LYS 24 HG2 LYS 24 -5.310 3.073 -1.283 164 2HG LYS 24 HG1 LYS 24 -5.144 4.206 0.057 165 1HD LYS 24 HD2 LYS 24 -4.394 5.826 -1.954 166 2HD LYS 24 HD1 LYS 24 -5.471 4.753 -2.848 167 1HE LYS 24 HE2 LYS 24 -7.323 5.579 -1.832 168 2HE LYS 24 HE1 LYS 24 -6.546 5.617 -0.250 169 1HZ LYS 24 HZ1 LYS 24 -5.738 7.703 -0.587 170 2HZ LYS 24 HZ2 LYS 24 -7.156 7.813 -1.515 171 3HZ LYS 24 HZ3 LYS 24 -5.662 7.540 -2.273 172 1H CYS 25 H1 CYS 25 2.398 2.657 1.915 173 H CYS 25 HN CYS 25 -0.681 3.278 -1.558 174 HA CYS 25 HA CYS 25 0.875 1.569 0.225 175 1HB CYS 25 HB2 CYS 25 1.429 3.472 -1.878 176 2HB CYS 25 HB1 CYS 25 2.456 3.789 -0.484 Start of MODEL 20 1 2H CYS 1 HT2 CYS 1 10.474 1.771 -6.598 2 3H CYS 1 HT3 CYS 1 11.433 2.686 -5.536 3 HA CYS 1 HA CYS 1 9.283 1.252 -4.803 4 1HB CYS 1 HB2 CYS 1 9.323 2.847 -2.772 5 2HB CYS 1 HB1 CYS 1 10.803 1.970 -3.153 6 H LYS 2 HN LYS 2 7.321 2.240 -3.530 7 HA LYS 2 HA LYS 2 5.909 4.044 -5.440 8 1HB LYS 2 HB2 LYS 2 5.076 1.804 -3.672 9 2HB LYS 2 HB1 LYS 2 3.929 3.134 -3.857 10 1HG LYS 2 HG2 LYS 2 4.971 2.602 -6.438 11 2HG LYS 2 HG1 LYS 2 4.564 1.042 -5.727 12 1HD LYS 2 HD2 LYS 2 2.457 2.804 -5.041 13 2HD LYS 2 HD1 LYS 2 2.790 3.061 -6.757 14 1HE LYS 2 HE2 LYS 2 2.919 0.360 -6.655 15 2HE LYS 2 HE1 LYS 2 1.745 0.656 -5.373 16 1HZ LYS 2 HZ1 LYS 2 0.775 2.275 -7.182 17 2HZ LYS 2 HZ2 LYS 2 0.368 0.624 -7.162 18 3HZ LYS 2 HZ3 LYS 2 1.548 1.199 -8.240 19 H GLY 3 HN GLY 3 4.334 5.585 -4.398 20 1HA GLY 3 HA2 GLY 3 5.605 6.803 -1.992 21 2HA GLY 3 HA1 GLY 3 4.588 7.667 -3.144 22 H LYS 4 HN LYS 4 4.032 7.825 -0.403 23 HA LYS 4 HA LYS 4 2.219 5.911 0.595 24 1HB LYS 4 HB2 LYS 4 2.834 8.771 1.113 25 2HB LYS 4 HB1 LYS 4 1.336 8.133 1.761 26 1HG LYS 4 HG2 LYS 4 2.391 6.751 3.230 27 2HG LYS 4 HG1 LYS 4 3.717 6.425 2.125 28 1HD LYS 4 HD2 LYS 4 4.296 7.798 4.214 29 2HD LYS 4 HD1 LYS 4 4.810 8.475 2.668 30 1HE LYS 4 HE2 LYS 4 3.762 10.214 4.055 31 2HE LYS 4 HE1 LYS 4 2.779 9.894 2.627 32 1HZ LYS 4 HZ1 LYS 4 1.413 10.003 4.604 33 2HZ LYS 4 HZ2 LYS 4 2.328 8.773 5.340 34 3HZ LYS 4 HZ3 LYS 4 1.388 8.431 3.967 35 H GLY 5 HN GLY 5 -0.030 5.876 0.611 36 1HA GLY 5 HA2 GLY 5 -2.166 6.016 -0.349 37 2HA GLY 5 HA1 GLY 5 -1.793 7.718 -0.614 38 H ALA 6 HN ALA 6 0.488 5.738 -2.170 39 HA ALA 6 HA ALA 6 -0.594 6.489 -4.775 40 1HB ALA 6 HB1 ALA 6 1.457 5.348 -5.636 41 2HB ALA 6 HB2 ALA 6 1.848 4.887 -3.980 42 3HB ALA 6 HB3 ALA 6 1.807 6.590 -4.433 43 H LYS 7 HN LYS 7 -2.103 4.477 -3.099 44 HA LYS 7 HA LYS 7 -3.213 2.476 -3.384 45 1HB LYS 7 HB2 LYS 7 -3.214 3.822 -5.823 46 2HB LYS 7 HB1 LYS 7 -2.779 2.153 -6.221 47 1HG LYS 7 HG2 LYS 7 -4.750 1.947 -4.249 48 2HG LYS 7 HG1 LYS 7 -5.317 3.209 -5.327 49 1HD LYS 7 HD2 LYS 7 -4.316 1.257 -7.050 50 2HD LYS 7 HD1 LYS 7 -5.142 0.339 -5.791 51 1HE LYS 7 HE2 LYS 7 -7.165 1.721 -6.114 52 2HE LYS 7 HE1 LYS 7 -6.342 2.619 -7.390 53 1HZ LYS 7 HZ1 LYS 7 -7.834 0.636 -8.016 54 2HZ LYS 7 HZ2 LYS 7 -6.517 -0.317 -7.520 55 3HZ LYS 7 HZ3 LYS 7 -6.329 0.803 -8.783 56 H CYS 8 HN CYS 8 -2.918 0.213 -3.759 57 HA CYS 8 HA CYS 8 -0.620 -0.906 -5.019 58 1HB CYS 8 HB2 CYS 8 0.845 -1.354 -3.206 59 2HB CYS 8 HB1 CYS 8 0.442 0.354 -3.074 60 H SER 9 HN SER 9 -0.175 -3.082 -3.206 61 HA SER 9 HA SER 9 -2.776 -4.477 -3.543 62 1HB SER 9 HB2 SER 9 -1.515 -6.523 -3.452 63 2HB SER 9 HB1 SER 9 -0.629 -5.423 -4.503 64 HG SER 9 HG SER 9 0.752 -4.968 -2.800 65 H ARG 10 HN ARG 10 -1.362 -6.402 -1.388 66 HA ARG 10 HA ARG 10 -2.205 -4.803 0.984 67 1HB ARG 10 HB2 ARG 10 -2.978 -7.695 0.497 68 2HB ARG 10 HB1 ARG 10 -3.458 -6.691 1.866 69 1HG ARG 10 HG2 ARG 10 -4.626 -5.153 0.308 70 2HG ARG 10 HG1 ARG 10 -4.190 -6.207 -1.038 71 1HD ARG 10 HD2 ARG 10 -5.647 -7.312 1.355 72 2HD ARG 10 HD1 ARG 10 -6.534 -6.510 0.059 73 HE ARG 10 HE ARG 10 -4.939 -8.341 -1.272 74 1HH1 ARG 10 HH21 ARG 10 -7.203 -8.431 1.336 75 2HH1 ARG 10 HH22 ARG 10 -7.725 -10.048 0.996 76 1HH2 ARG 10 HH11 ARG 10 -5.614 -10.446 -1.724 77 2HH2 ARG 10 HH12 ARG 10 -6.827 -11.187 -0.733 78 H LEU 11 HN LEU 11 0.242 -6.551 -0.428 79 HA LEU 11 HA LEU 11 1.785 -6.621 1.990 80 1HB LEU 11 HB2 LEU 11 0.218 -9.022 1.319 81 2HB LEU 11 HB1 LEU 11 1.927 -9.327 1.636 82 HG LEU 11 HG LEU 11 0.917 -7.423 3.543 83 1HD1 LEU 11 HD11 LEU 11 -0.975 -9.434 2.765 84 2HD1 LEU 11 HD12 LEU 11 -1.130 -8.209 4.024 85 3HD1 LEU 11 HD13 LEU 11 -0.420 -9.777 4.404 86 1HD2 LEU 11 HD21 LEU 11 2.344 -8.600 4.843 87 2HD2 LEU 11 HD22 LEU 11 2.729 -9.538 3.400 88 3HD2 LEU 11 HD23 LEU 11 1.496 -10.115 4.524 89 H MET 12 HN MET 12 2.081 -5.796 -0.788 90 HA MET 12 HA MET 12 4.075 -7.686 -1.883 91 1HB MET 12 HB2 MET 12 2.588 -5.309 -2.897 92 2HB MET 12 HB1 MET 12 4.182 -5.612 -3.589 93 1HG MET 12 HG2 MET 12 2.641 -8.070 -3.360 94 2HG MET 12 HG1 MET 12 1.793 -6.864 -4.327 95 1HE MET 12 HE1 MET 12 3.573 -9.646 -4.313 96 2HE MET 12 HE2 MET 12 4.625 -9.742 -5.723 97 3HE MET 12 HE3 MET 12 2.883 -9.599 -5.942 98 H TYR 13 HN TYR 13 3.892 -4.832 0.024 99 HA TYR 13 HA TYR 13 5.551 -3.523 1.024 100 1HB TYR 13 HB2 TYR 13 7.061 -6.009 0.262 101 2HB TYR 13 HB1 TYR 13 7.914 -4.628 0.952 102 HD1 TYR 13 HD1 TYR 13 8.094 -4.501 3.267 103 HD2 TYR 13 HD2 TYR 13 4.797 -6.635 1.529 104 HE1 TYR 13 HE1 TYR 13 7.321 -5.149 5.532 105 HE2 TYR 13 HE2 TYR 13 4.023 -7.285 3.793 106 HH TYR 13 HH TYR 13 5.651 -6.072 6.709 107 H ASP 14 HN ASP 14 4.888 -2.427 -1.272 108 HA ASP 14 HA ASP 14 7.406 -2.018 -2.825 109 1HB ASP 14 HB2 ASP 14 4.703 -0.995 -3.666 110 2HB ASP 14 HB1 ASP 14 6.090 -1.415 -4.668 111 H CYS 15 HN CYS 15 5.423 -0.637 -0.465 112 HA CYS 15 HA CYS 15 5.519 2.136 -1.064 113 1HB CYS 15 HB2 CYS 15 5.654 0.744 1.622 114 2HB CYS 15 HB1 CYS 15 5.284 2.453 1.376 115 H CYS 16 HN CYS 16 7.131 3.477 -1.225 116 HA CYS 16 HA CYS 16 9.860 2.770 -0.997 117 1HB CYS 16 HB2 CYS 16 8.604 4.793 -2.132 118 2HB CYS 16 HB1 CYS 16 8.942 5.591 -0.602 119 H THR 17 HN THR 17 7.629 4.140 1.383 120 HA THR 17 HA THR 17 9.687 3.626 3.454 121 HB THR 17 HB THR 17 9.967 5.983 2.956 122 HG1 THR 17 HG1 THR 17 8.827 6.723 5.085 123 1HG2 THR 17 HG21 THR 17 7.667 6.214 1.933 124 2HG2 THR 17 HG22 THR 17 8.140 7.547 2.986 125 3HG2 THR 17 HG23 THR 17 7.023 6.314 3.570 126 H GLY 18 HN GLY 18 6.350 3.875 2.569 127 1HA GLY 18 HA2 GLY 18 5.525 3.278 5.365 128 2HA GLY 18 HA1 GLY 18 4.437 3.791 4.075 129 H SER 19 HN SER 19 3.035 2.009 4.323 130 HA SER 19 HA SER 19 4.093 -0.528 3.180 131 1HB SER 19 HB2 SER 19 3.032 -1.881 4.861 132 2HB SER 19 HB1 SER 19 3.988 -0.674 5.717 133 HG SER 19 HG SER 19 1.448 -1.144 6.004 134 H CYS 20 HN CYS 20 1.863 -2.027 3.042 135 HA CYS 20 HA CYS 20 0.111 -0.380 1.317 136 1HB CYS 20 HB2 CYS 20 0.689 -3.289 1.627 137 2HB CYS 20 HB1 CYS 20 -0.926 -2.850 1.075 138 H ARG 21 HN ARG 21 -1.220 0.760 2.755 139 HA ARG 21 HA ARG 21 -3.066 -0.950 4.364 140 1HB ARG 21 HB2 ARG 21 -1.190 0.929 5.368 141 2HB ARG 21 HB1 ARG 21 -2.787 1.650 5.556 142 1HG ARG 21 HG2 ARG 21 -3.007 -1.096 6.271 143 2HG ARG 21 HG1 ARG 21 -1.592 -0.446 7.102 144 1HD ARG 21 HD2 ARG 21 -3.594 1.542 7.292 145 2HD ARG 21 HD1 ARG 21 -4.384 0.010 7.669 146 HE ARG 21 HE ARG 21 -2.033 -0.070 9.139 147 1HH1 ARG 21 HH21 ARG 21 -4.697 2.095 8.773 148 2HH1 ARG 21 HH22 ARG 21 -4.591 2.701 10.391 149 1HH2 ARG 21 HH11 ARG 21 -1.889 0.709 11.250 150 2HH2 ARG 21 HH12 ARG 21 -3.005 1.916 11.793 151 H SER 22 HN SER 22 -5.221 -0.276 4.326 152 HA SER 22 HA SER 22 -7.118 0.861 3.546 153 1HB SER 22 HB2 SER 22 -5.197 2.866 4.161 154 2HB SER 22 HB1 SER 22 -5.939 3.312 2.628 155 HG SER 22 HG SER 22 -6.948 3.703 4.956 156 H GLY 23 HN GLY 23 -5.294 -0.683 1.745 157 1HA GLY 23 HA2 GLY 23 -5.311 -1.232 -0.539 158 2HA GLY 23 HA1 GLY 23 -6.578 -0.027 -0.760 159 H LYS 24 HN LYS 24 -3.855 1.253 0.799 160 HA LYS 24 HA LYS 24 -2.596 2.079 -1.753 161 1HB LYS 24 HB2 LYS 24 -3.283 4.085 0.409 162 2HB LYS 24 HB1 LYS 24 -2.643 4.416 -1.201 163 1HG LYS 24 HG2 LYS 24 -4.692 3.692 -2.245 164 2HG LYS 24 HG1 LYS 24 -5.315 3.097 -0.707 165 1HD LYS 24 HD2 LYS 24 -4.539 5.990 -1.028 166 2HD LYS 24 HD1 LYS 24 -6.127 5.424 -1.542 167 1HE LYS 24 HE2 LYS 24 -5.482 4.389 1.087 168 2HE LYS 24 HE1 LYS 24 -5.366 6.149 1.064 169 1HZ LYS 24 HZ1 LYS 24 -7.602 5.857 -0.282 170 2HZ LYS 24 HZ2 LYS 24 -7.577 5.937 1.416 171 3HZ LYS 24 HZ3 LYS 24 -7.686 4.431 0.634 172 1H CYS 25 H1 CYS 25 2.369 2.787 2.401 173 H CYS 25 HN CYS 25 -0.553 3.400 -1.193 174 HA CYS 25 HA CYS 25 1.047 1.748 0.578 175 1HB CYS 25 HB2 CYS 25 1.513 3.833 -1.391 176 2HB CYS 25 HB1 CYS 25 2.517 4.063 0.037 Start of MODEL 21 1 2H CYS 1 HT2 CYS 1 10.798 1.482 -6.261 2 3H CYS 1 HT3 CYS 1 11.902 1.672 -4.985 3 HA CYS 1 HA CYS 1 9.505 0.880 -4.488 4 1HB CYS 1 HB2 CYS 1 9.626 2.461 -2.377 5 2HB CYS 1 HB1 CYS 1 10.831 1.199 -2.606 6 H LYS 2 HN LYS 2 7.452 1.837 -3.743 7 HA LYS 2 HA LYS 2 6.693 4.123 -5.470 8 1HB LYS 2 HB2 LYS 2 5.187 1.953 -4.030 9 2HB LYS 2 HB1 LYS 2 4.346 3.423 -4.528 10 1HG LYS 2 HG2 LYS 2 6.065 1.863 -6.458 11 2HG LYS 2 HG1 LYS 2 4.366 1.458 -6.200 12 1HD LYS 2 HD2 LYS 2 3.656 3.242 -7.392 13 2HD LYS 2 HD1 LYS 2 4.788 4.327 -6.582 14 1HE LYS 2 HE2 LYS 2 6.612 3.241 -8.029 15 2HE LYS 2 HE1 LYS 2 5.291 2.567 -8.984 16 1HZ LYS 2 HZ1 LYS 2 6.359 4.945 -9.457 17 2HZ LYS 2 HZ2 LYS 2 5.129 5.407 -8.380 18 3HZ LYS 2 HZ3 LYS 2 4.742 4.575 -9.810 19 H GLY 3 HN GLY 3 4.649 5.302 -4.169 20 1HA GLY 3 HA2 GLY 3 5.641 6.039 -1.461 21 2HA GLY 3 HA1 GLY 3 5.394 7.318 -2.651 22 H LYS 4 HN LYS 4 3.945 7.098 -0.160 23 HA LYS 4 HA LYS 4 1.471 5.887 -0.172 24 1HB LYS 4 HB2 LYS 4 2.609 7.869 1.318 25 2HB LYS 4 HB1 LYS 4 1.307 8.745 0.523 26 1HG LYS 4 HG2 LYS 4 0.218 6.273 1.294 27 2HG LYS 4 HG1 LYS 4 1.150 6.831 2.677 28 1HD LYS 4 HD2 LYS 4 0.007 9.108 2.308 29 2HD LYS 4 HD1 LYS 4 -1.122 8.232 1.273 30 1HE LYS 4 HE2 LYS 4 -2.067 7.091 3.032 31 2HE LYS 4 HE1 LYS 4 -0.566 7.064 3.956 32 1HZ LYS 4 HZ1 LYS 4 -2.703 8.815 4.238 33 2HZ LYS 4 HZ2 LYS 4 -1.409 9.727 3.617 34 3HZ LYS 4 HZ3 LYS 4 -1.218 8.850 5.059 35 H GLY 5 HN GLY 5 -0.595 6.458 -0.958 36 1HA GLY 5 HA2 GLY 5 -2.119 7.657 -2.383 37 2HA GLY 5 HA1 GLY 5 -0.748 8.552 -3.050 38 H ALA 6 HN ALA 6 0.851 6.095 -3.392 39 HA ALA 6 HA ALA 6 -0.143 5.348 -6.020 40 1HB ALA 6 HB1 ALA 6 2.304 5.572 -5.459 41 2HB ALA 6 HB2 ALA 6 1.884 4.024 -6.191 42 3HB ALA 6 HB3 ALA 6 2.149 4.132 -4.451 43 H LYS 7 HN LYS 7 -2.206 4.518 -5.136 44 HA LYS 7 HA LYS 7 -2.814 2.549 -3.417 45 1HB LYS 7 HB2 LYS 7 -4.575 1.815 -4.882 46 2HB LYS 7 HB1 LYS 7 -4.340 3.540 -5.170 47 1HG LYS 7 HG2 LYS 7 -2.523 2.217 -6.874 48 2HG LYS 7 HG1 LYS 7 -4.043 1.347 -7.015 49 1HD LYS 7 HD2 LYS 7 -4.992 3.867 -7.093 50 2HD LYS 7 HD1 LYS 7 -3.392 4.137 -7.789 51 1HE LYS 7 HE2 LYS 7 -4.737 1.748 -8.845 52 2HE LYS 7 HE1 LYS 7 -5.595 3.249 -9.193 53 1HZ LYS 7 HZ1 LYS 7 -3.471 4.164 -10.015 54 2HZ LYS 7 HZ2 LYS 7 -4.023 2.841 -10.926 55 3HZ LYS 7 HZ3 LYS 7 -2.757 2.640 -9.810 56 H CYS 8 HN CYS 8 -2.823 0.189 -3.418 57 HA CYS 8 HA CYS 8 -1.037 -1.114 -5.395 58 1HB CYS 8 HB2 CYS 8 0.238 -2.211 -3.551 59 2HB CYS 8 HB1 CYS 8 0.449 -0.464 -3.560 60 H SER 9 HN SER 9 -0.910 -3.604 -4.006 61 HA SER 9 HA SER 9 -3.709 -4.481 -4.377 62 1HB SER 9 HB2 SER 9 -1.121 -5.650 -4.819 63 2HB SER 9 HB1 SER 9 -2.048 -6.680 -3.733 64 HG SER 9 HG SER 9 -2.770 -5.727 -6.306 65 H ARG 10 HN ARG 10 -1.368 -5.913 -2.203 66 HA ARG 10 HA ARG 10 -2.497 -4.918 0.234 67 1HB ARG 10 HB2 ARG 10 -4.424 -6.305 -0.642 68 2HB ARG 10 HB1 ARG 10 -3.389 -7.725 -0.487 69 1HG ARG 10 HG2 ARG 10 -3.232 -6.245 1.954 70 2HG ARG 10 HG1 ARG 10 -4.937 -6.447 1.545 71 1HD ARG 10 HD2 ARG 10 -3.774 -8.923 0.967 72 2HD ARG 10 HD1 ARG 10 -3.019 -8.430 2.480 73 HE ARG 10 HE ARG 10 -5.642 -9.453 2.242 74 1HH1 ARG 10 HH21 ARG 10 -4.039 -6.712 3.634 75 2HH1 ARG 10 HH22 ARG 10 -5.357 -6.332 4.685 76 1HH2 ARG 10 HH11 ARG 10 -7.331 -8.971 3.634 77 2HH2 ARG 10 HH12 ARG 10 -7.205 -7.611 4.699 78 H LEU 11 HN LEU 11 -0.521 -4.921 1.198 79 HA LEU 11 HA LEU 11 1.338 -5.806 2.322 80 1HB LEU 11 HB2 LEU 11 -0.529 -7.980 2.167 81 2HB LEU 11 HB1 LEU 11 1.098 -8.601 1.884 82 HG LEU 11 HG LEU 11 1.514 -6.838 3.954 83 1HD1 LEU 11 HD11 LEU 11 -1.256 -8.004 4.139 84 2HD1 LEU 11 HD12 LEU 11 -0.716 -6.367 4.512 85 3HD1 LEU 11 HD13 LEU 11 -0.320 -7.694 5.603 86 1HD2 LEU 11 HD21 LEU 11 1.567 -8.931 5.364 87 2HD2 LEU 11 HD22 LEU 11 2.467 -9.055 3.852 88 3HD2 LEU 11 HD23 LEU 11 0.875 -9.800 3.994 89 H MET 12 HN MET 12 1.635 -4.992 -0.344 90 HA MET 12 HA MET 12 3.179 -7.114 -1.712 91 1HB MET 12 HB2 MET 12 2.513 -4.257 -2.483 92 2HB MET 12 HB1 MET 12 3.474 -5.350 -3.481 93 1HG MET 12 HG2 MET 12 0.896 -6.450 -2.527 94 2HG MET 12 HG1 MET 12 0.768 -5.122 -3.680 95 1HE MET 12 HE1 MET 12 2.334 -5.916 -6.712 96 2HE MET 12 HE2 MET 12 3.759 -6.058 -5.684 97 3HE MET 12 HE3 MET 12 2.534 -4.846 -5.319 98 H TYR 13 HN TYR 13 3.680 -4.534 0.473 99 HA TYR 13 HA TYR 13 5.628 -3.566 1.342 100 1HB TYR 13 HB2 TYR 13 6.838 -6.111 0.216 101 2HB TYR 13 HB1 TYR 13 7.619 -5.038 1.378 102 HD1 TYR 13 HD1 TYR 13 5.493 -7.865 0.985 103 HD2 TYR 13 HD2 TYR 13 6.272 -4.515 3.558 104 HE1 TYR 13 HE1 TYR 13 4.323 -9.019 2.841 105 HE2 TYR 13 HE2 TYR 13 5.102 -5.668 5.415 106 HH TYR 13 HH TYR 13 3.605 -7.391 5.858 107 H ASP 14 HN ASP 14 5.050 -2.226 -0.836 108 HA ASP 14 HA ASP 14 7.596 -2.114 -2.403 109 1HB ASP 14 HB2 ASP 14 4.742 -1.695 -3.317 110 2HB ASP 14 HB1 ASP 14 6.132 -1.151 -4.253 111 H CYS 15 HN CYS 15 5.016 -0.356 -0.772 112 HA CYS 15 HA CYS 15 5.560 2.286 -1.544 113 1HB CYS 15 HB2 CYS 15 5.067 1.527 1.338 114 2HB CYS 15 HB1 CYS 15 4.581 2.999 0.495 115 H CYS 16 HN CYS 16 7.279 3.483 -1.463 116 HA CYS 16 HA CYS 16 9.772 2.601 -0.363 117 1HB CYS 16 HB2 CYS 16 9.157 4.313 -2.278 118 2HB CYS 16 HB1 CYS 16 9.215 5.478 -0.960 119 H THR 17 HN THR 17 7.074 4.163 1.073 120 HA THR 17 HA THR 17 8.793 4.957 3.391 121 HB THR 17 HB THR 17 7.785 6.932 2.396 122 HG1 THR 17 HG1 THR 17 6.455 7.547 4.199 123 1HG2 THR 17 HG21 THR 17 5.533 5.113 2.070 124 2HG2 THR 17 HG22 THR 17 5.880 6.626 1.232 125 3HG2 THR 17 HG23 THR 17 5.039 6.649 2.782 126 H GLY 18 HN GLY 18 7.558 2.321 2.874 127 1HA GLY 18 HA2 GLY 18 6.859 1.281 5.201 128 2HA GLY 18 HA1 GLY 18 5.409 2.245 4.924 129 H SER 19 HN SER 19 4.080 0.364 4.770 130 HA SER 19 HA SER 19 4.485 -1.175 2.237 131 1HB SER 19 HB2 SER 19 3.211 -3.027 3.486 132 2HB SER 19 HB1 SER 19 4.879 -2.744 3.979 133 HG SER 19 HG SER 19 3.196 -2.875 5.682 134 H CYS 20 HN CYS 20 2.236 -2.257 1.653 135 HA CYS 20 HA CYS 20 0.436 -0.326 0.826 136 1HB CYS 20 HB2 CYS 20 0.045 -3.216 1.576 137 2HB CYS 20 HB1 CYS 20 -1.331 -2.236 1.072 138 H ARG 21 HN ARG 21 -1.448 0.616 1.700 139 HA ARG 21 HA ARG 21 -1.838 0.239 4.641 140 1HB ARG 21 HB2 ARG 21 -0.869 2.403 4.388 141 2HB ARG 21 HB1 ARG 21 -1.892 2.767 3.001 142 1HG ARG 21 HG2 ARG 21 -3.718 3.262 4.296 143 2HG ARG 21 HG1 ARG 21 -3.295 2.073 5.526 144 1HD ARG 21 HD2 ARG 21 -1.519 3.539 6.370 145 2HD ARG 21 HD1 ARG 21 -1.873 4.720 5.108 146 HE ARG 21 HE ARG 21 -4.298 4.399 6.413 147 1HH1 ARG 21 HH21 ARG 21 -1.048 5.143 7.317 148 2HH1 ARG 21 HH22 ARG 21 -1.510 6.111 8.675 149 1HH2 ARG 21 HH11 ARG 21 -4.913 5.665 8.182 150 2HH2 ARG 21 HH12 ARG 21 -3.695 6.408 9.164 151 H SER 22 HN SER 22 -3.606 -1.030 4.581 152 HA SER 22 HA SER 22 -5.857 -1.642 4.303 153 1HB SER 22 HB2 SER 22 -7.359 0.067 4.611 154 2HB SER 22 HB1 SER 22 -5.890 0.957 5.002 155 HG SER 22 HG SER 22 -7.578 1.167 2.848 156 H GLY 23 HN GLY 23 -3.874 -1.139 1.863 157 1HA GLY 23 HA2 GLY 23 -4.677 -2.415 -0.215 158 2HA GLY 23 HA1 GLY 23 -6.010 -1.263 -0.230 159 H LYS 24 HN LYS 24 -4.454 1.069 0.478 160 HA LYS 24 HA LYS 24 -3.043 1.413 -2.113 161 1HB LYS 24 HB2 LYS 24 -3.968 3.563 -0.197 162 2HB LYS 24 HB1 LYS 24 -3.416 3.788 -1.857 163 1HG LYS 24 HG2 LYS 24 -5.678 3.761 -2.248 164 2HG LYS 24 HG1 LYS 24 -5.375 2.026 -2.329 165 1HD LYS 24 HD2 LYS 24 -6.968 1.860 -0.721 166 2HD LYS 24 HD1 LYS 24 -5.711 2.432 0.376 167 1HE LYS 24 HE2 LYS 24 -6.470 4.673 0.260 168 2HE LYS 24 HE1 LYS 24 -7.443 4.355 -1.176 169 1HZ LYS 24 HZ1 LYS 24 -8.503 2.617 0.531 170 2HZ LYS 24 HZ2 LYS 24 -9.084 4.200 0.336 171 3HZ LYS 24 HZ3 LYS 24 -8.035 3.831 1.620 172 1H CYS 25 H1 CYS 25 2.046 3.344 1.428 173 H CYS 25 HN CYS 25 -1.033 2.810 -2.072 174 HA CYS 25 HA CYS 25 0.777 1.817 -0.060 175 1HB CYS 25 HB2 CYS 25 0.965 3.509 -2.428 176 2HB CYS 25 HB1 CYS 25 1.986 4.100 -1.123 Start of MODEL 22 1 2H CYS 1 HT2 CYS 1 10.764 3.010 -6.087 2 3H CYS 1 HT3 CYS 1 10.384 1.479 -6.717 3 HA CYS 1 HA CYS 1 9.184 0.841 -4.895 4 1HB CYS 1 HB2 CYS 1 9.475 2.321 -2.734 5 2HB CYS 1 HB1 CYS 1 10.644 1.056 -3.101 6 H LYS 2 HN LYS 2 7.407 2.136 -3.547 7 HA LYS 2 HA LYS 2 6.541 4.416 -5.278 8 1HB LYS 2 HB2 LYS 2 4.831 2.450 -3.729 9 2HB LYS 2 HB1 LYS 2 4.245 3.722 -4.796 10 1HG LYS 2 HG2 LYS 2 5.985 1.382 -5.625 11 2HG LYS 2 HG1 LYS 2 4.264 1.557 -5.963 12 1HD LYS 2 HD2 LYS 2 4.737 2.754 -7.805 13 2HD LYS 2 HD1 LYS 2 5.579 3.947 -6.816 14 1HE LYS 2 HE2 LYS 2 7.466 3.293 -7.878 15 2HE LYS 2 HE1 LYS 2 7.363 1.817 -6.919 16 1HZ LYS 2 HZ1 LYS 2 7.457 1.075 -9.104 17 2HZ LYS 2 HZ2 LYS 2 6.422 2.294 -9.678 18 3HZ LYS 2 HZ3 LYS 2 5.798 1.017 -8.748 19 H GLY 3 HN GLY 3 4.458 5.377 -3.765 20 1HA GLY 3 HA2 GLY 3 5.593 5.974 -1.074 21 2HA GLY 3 HA1 GLY 3 5.156 7.315 -2.137 22 H LYS 4 HN LYS 4 3.861 6.908 0.391 23 HA LYS 4 HA LYS 4 1.466 5.428 0.186 24 1HB LYS 4 HB2 LYS 4 0.985 6.302 2.227 25 2HB LYS 4 HB1 LYS 4 2.651 6.824 2.159 26 1HG LYS 4 HG2 LYS 4 1.885 8.988 1.171 27 2HG LYS 4 HG1 LYS 4 0.226 8.461 1.416 28 1HD LYS 4 HD2 LYS 4 1.196 9.938 3.261 29 2HD LYS 4 HD1 LYS 4 0.482 8.416 3.792 30 1HE LYS 4 HE2 LYS 4 3.364 8.325 3.085 31 2HE LYS 4 HE1 LYS 4 2.951 9.220 4.546 32 1HZ LYS 4 HZ1 LYS 4 1.580 6.701 4.284 33 2HZ LYS 4 HZ2 LYS 4 2.395 7.362 5.621 34 3HZ LYS 4 HZ3 LYS 4 3.265 6.547 4.410 35 H GLY 5 HN GLY 5 -0.660 6.134 -0.282 36 1HA GLY 5 HA2 GLY 5 -2.271 7.681 -1.217 37 2HA GLY 5 HA1 GLY 5 -0.928 8.675 -1.799 38 H ALA 6 HN ALA 6 0.604 6.459 -2.813 39 HA ALA 6 HA ALA 6 -0.688 6.166 -5.404 40 1HB ALA 6 HB1 ALA 6 1.688 6.411 -5.471 41 2HB ALA 6 HB2 ALA 6 1.379 4.718 -5.858 42 3HB ALA 6 HB3 ALA 6 1.919 5.168 -4.241 43 H LYS 7 HN LYS 7 -2.576 5.019 -4.698 44 HA LYS 7 HA LYS 7 -3.086 2.837 -3.265 45 1HB LYS 7 HB2 LYS 7 -4.695 2.090 -4.904 46 2HB LYS 7 HB1 LYS 7 -4.628 3.854 -4.966 47 1HG LYS 7 HG2 LYS 7 -2.604 2.932 -6.699 48 2HG LYS 7 HG1 LYS 7 -4.024 1.955 -7.041 49 1HD LYS 7 HD2 LYS 7 -5.130 3.692 -7.980 50 2HD LYS 7 HD1 LYS 7 -4.674 4.782 -6.669 51 1HE LYS 7 HE2 LYS 7 -2.486 3.981 -8.508 52 2HE LYS 7 HE1 LYS 7 -3.725 5.031 -9.196 53 1HZ LYS 7 HZ1 LYS 7 -1.740 6.100 -8.013 54 2HZ LYS 7 HZ2 LYS 7 -2.515 5.636 -6.573 55 3HZ LYS 7 HZ3 LYS 7 -3.291 6.688 -7.658 56 H CYS 8 HN CYS 8 -2.879 0.514 -3.451 57 HA CYS 8 HA CYS 8 -1.127 -0.589 -5.534 58 1HB CYS 8 HB2 CYS 8 0.554 -1.418 -3.895 59 2HB CYS 8 HB1 CYS 8 0.502 0.342 -3.945 60 H SER 9 HN SER 9 -0.443 -2.941 -3.983 61 HA SER 9 HA SER 9 -3.100 -4.243 -3.998 62 1HB SER 9 HB2 SER 9 -0.838 -5.089 -5.108 63 2HB SER 9 HB1 SER 9 -0.548 -5.731 -3.493 64 HG SER 9 HG SER 9 -1.848 -7.274 -4.053 65 H ARG 10 HN ARG 10 -1.678 -6.335 -2.135 66 HA ARG 10 HA ARG 10 -1.991 -4.835 0.415 67 1HB ARG 10 HB2 ARG 10 -3.428 -7.323 -0.483 68 2HB ARG 10 HB1 ARG 10 -3.120 -7.049 1.232 69 1HG ARG 10 HG2 ARG 10 -4.073 -4.591 0.312 70 2HG ARG 10 HG1 ARG 10 -5.081 -5.782 -0.510 71 1HD ARG 10 HD2 ARG 10 -6.035 -5.149 1.688 72 2HD ARG 10 HD1 ARG 10 -5.598 -6.857 1.637 73 HE ARG 10 HE ARG 10 -3.339 -5.629 2.666 74 1HH1 ARG 10 HH21 ARG 10 -6.714 -5.665 3.397 75 2HH1 ARG 10 HH22 ARG 10 -6.481 -5.424 5.094 76 1HH2 ARG 10 HH11 ARG 10 -3.022 -5.313 4.880 77 2HH2 ARG 10 HH12 ARG 10 -4.394 -5.224 5.934 78 H LEU 11 HN LEU 11 -0.041 -5.029 1.360 79 HA LEU 11 HA LEU 11 1.900 -5.999 2.243 80 1HB LEU 11 HB2 LEU 11 0.184 -8.453 1.831 81 2HB LEU 11 HB1 LEU 11 1.822 -8.560 2.472 82 HG LEU 11 HG LEU 11 0.783 -6.537 3.996 83 1HD1 LEU 11 HD11 LEU 11 -1.451 -7.148 4.684 84 2HD1 LEU 11 HD12 LEU 11 -1.423 -8.589 3.669 85 3HD1 LEU 11 HD13 LEU 11 -1.459 -6.990 2.928 86 1HD2 LEU 11 HD21 LEU 11 1.186 -9.472 4.311 87 2HD2 LEU 11 HD22 LEU 11 0.242 -8.668 5.566 88 3HD2 LEU 11 HD23 LEU 11 1.887 -8.136 5.225 89 H MET 12 HN MET 12 2.570 -5.134 -0.036 90 HA MET 12 HA MET 12 3.632 -7.428 -1.638 91 1HB MET 12 HB2 MET 12 2.113 -5.158 -2.444 92 2HB MET 12 HB1 MET 12 3.743 -4.951 -3.085 93 1HG MET 12 HG2 MET 12 1.947 -7.366 -3.455 94 2HG MET 12 HG1 MET 12 2.431 -6.212 -4.698 95 1HE MET 12 HE1 MET 12 4.248 -7.501 -6.499 96 2HE MET 12 HE2 MET 12 2.740 -8.199 -5.913 97 3HE MET 12 HE3 MET 12 4.196 -9.190 -5.972 98 H TYR 13 HN TYR 13 4.387 -4.693 0.286 99 HA TYR 13 HA TYR 13 6.457 -3.835 0.980 100 1HB TYR 13 HB2 TYR 13 7.638 -6.137 -0.599 101 2HB TYR 13 HB1 TYR 13 8.435 -5.207 0.669 102 HD1 TYR 13 HD1 TYR 13 7.384 -8.311 0.253 103 HD2 TYR 13 HD2 TYR 13 6.341 -4.937 2.697 104 HE1 TYR 13 HE1 TYR 13 6.450 -9.841 1.965 105 HE2 TYR 13 HE2 TYR 13 5.407 -6.465 4.409 106 HH TYR 13 HH TYR 13 4.459 -8.804 4.463 107 H ASP 14 HN ASP 14 5.262 -2.686 -1.290 108 HA ASP 14 HA ASP 14 7.610 -2.197 -3.077 109 1HB ASP 14 HB2 ASP 14 4.634 -1.991 -3.538 110 2HB ASP 14 HB1 ASP 14 5.788 -1.178 -4.595 111 H CYS 15 HN CYS 15 5.128 -0.666 -1.075 112 HA CYS 15 HA CYS 15 5.568 2.040 -1.745 113 1HB CYS 15 HB2 CYS 15 5.168 1.049 1.088 114 2HB CYS 15 HB1 CYS 15 4.700 2.610 0.410 115 H CYS 16 HN CYS 16 7.276 3.242 -1.672 116 HA CYS 16 HA CYS 16 9.817 2.354 -0.709 117 1HB CYS 16 HB2 CYS 16 9.056 4.174 -2.492 118 2HB CYS 16 HB1 CYS 16 9.229 5.250 -1.112 119 H THR 17 HN THR 17 7.187 4.092 0.776 120 HA THR 17 HA THR 17 8.785 4.221 3.287 121 HB THR 17 HB THR 17 7.091 6.458 3.358 122 HG1 THR 17 HG1 THR 17 8.201 7.441 1.365 123 1HG2 THR 17 HG21 THR 17 9.575 7.467 2.752 124 2HG2 THR 17 HG22 THR 17 9.967 5.841 3.314 125 3HG2 THR 17 HG23 THR 17 9.066 6.942 4.357 126 H GLY 18 HN GLY 18 7.503 2.321 3.855 127 1HA GLY 18 HA2 GLY 18 5.684 2.083 5.602 128 2HA GLY 18 HA1 GLY 18 4.656 2.994 4.494 129 H SER 19 HN SER 19 3.171 1.179 4.430 130 HA SER 19 HA SER 19 3.997 -0.838 2.428 131 1HB SER 19 HB2 SER 19 4.458 -2.038 4.461 132 2HB SER 19 HB1 SER 19 2.949 -1.496 5.192 133 HG SER 19 HG SER 19 1.828 -2.729 3.682 134 H CYS 20 HN CYS 20 2.114 -1.904 1.447 135 HA CYS 20 HA CYS 20 0.027 -0.236 0.698 136 1HB CYS 20 HB2 CYS 20 0.198 -3.233 0.950 137 2HB CYS 20 HB1 CYS 20 -1.297 -2.465 0.414 138 H ARG 21 HN ARG 21 -1.092 0.931 2.255 139 HA ARG 21 HA ARG 21 -2.359 -0.629 4.472 140 1HB ARG 21 HB2 ARG 21 -0.889 1.107 5.324 141 2HB ARG 21 HB1 ARG 21 -1.644 2.312 4.280 142 1HG ARG 21 HG2 ARG 21 -3.800 1.957 5.451 143 2HG ARG 21 HG1 ARG 21 -3.014 0.796 6.520 144 1HD ARG 21 HD2 ARG 21 -3.034 2.882 7.697 145 2HD ARG 21 HD1 ARG 21 -1.379 2.645 7.134 146 HE ARG 21 HE ARG 21 -2.561 4.105 5.100 147 1HH1 ARG 21 HH21 ARG 21 -2.232 4.406 8.525 148 2HH1 ARG 21 HH22 ARG 21 -2.232 6.137 8.502 149 1HH2 ARG 21 HH11 ARG 21 -2.561 6.363 5.059 150 2HH2 ARG 21 HH12 ARG 21 -2.419 7.244 6.544 151 H SER 22 HN SER 22 -4.580 -0.623 4.606 152 HA SER 22 HA SER 22 -6.804 -0.256 3.952 153 1HB SER 22 HB2 SER 22 -5.787 2.203 4.444 154 2HB SER 22 HB1 SER 22 -6.171 2.381 2.735 155 HG SER 22 HG SER 22 -7.957 2.918 4.029 156 H GLY 23 HN GLY 23 -4.485 -1.006 1.960 157 1HA GLY 23 HA2 GLY 23 -4.953 -2.068 -0.179 158 2HA GLY 23 HA1 GLY 23 -6.257 -0.910 -0.432 159 H LYS 24 HN LYS 24 -4.389 1.285 0.580 160 HA LYS 24 HA LYS 24 -2.986 1.620 -2.020 161 1HB LYS 24 HB2 LYS 24 -3.422 3.822 -0.016 162 2HB LYS 24 HB1 LYS 24 -3.177 3.952 -1.758 163 1HG LYS 24 HG2 LYS 24 -5.358 3.184 -2.239 164 2HG LYS 24 HG1 LYS 24 -5.571 2.533 -0.616 165 1HD LYS 24 HD2 LYS 24 -4.959 5.383 -0.578 166 2HD LYS 24 HD1 LYS 24 -6.429 5.033 -1.490 167 1HE LYS 24 HE2 LYS 24 -7.574 4.415 0.369 168 2HE LYS 24 HE1 LYS 24 -6.200 3.529 1.030 169 1HZ LYS 24 HZ1 LYS 24 -5.660 6.304 1.007 170 2HZ LYS 24 HZ2 LYS 24 -5.705 5.235 2.326 171 3HZ LYS 24 HZ3 LYS 24 -7.124 6.013 1.815 172 1H CYS 25 H1 CYS 25 2.339 2.937 1.588 173 H CYS 25 HN CYS 25 -0.953 3.147 -1.706 174 HA CYS 25 HA CYS 25 0.866 1.637 -0.022 175 1HB CYS 25 HB2 CYS 25 1.075 3.735 -2.052 176 2HB CYS 25 HB1 CYS 25 2.202 3.973 -0.720 Start of MODEL 23 1 2H CYS 1 HT2 CYS 1 11.089 3.148 -5.311 2 3H CYS 1 HT3 CYS 1 10.779 1.665 -6.080 3 HA CYS 1 HA CYS 1 9.450 0.882 -4.354 4 1HB CYS 1 HB2 CYS 1 9.309 2.473 -2.251 5 2HB CYS 1 HB1 CYS 1 10.615 1.300 -2.382 6 H LYS 2 HN LYS 2 7.391 2.025 -3.372 7 HA LYS 2 HA LYS 2 6.567 4.096 -5.356 8 1HB LYS 2 HB2 LYS 2 5.063 1.989 -3.816 9 2HB LYS 2 HB1 LYS 2 4.218 3.378 -4.502 10 1HG LYS 2 HG2 LYS 2 6.105 2.058 -6.348 11 2HG LYS 2 HG1 LYS 2 4.730 1.066 -5.867 12 1HD LYS 2 HD2 LYS 2 3.721 3.667 -6.384 13 2HD LYS 2 HD1 LYS 2 4.787 3.253 -7.727 14 1HE LYS 2 HE2 LYS 2 3.109 1.005 -6.911 15 2HE LYS 2 HE1 LYS 2 2.158 2.400 -7.421 16 1HZ LYS 2 HZ1 LYS 2 2.595 1.211 -9.368 17 2HZ LYS 2 HZ2 LYS 2 4.217 0.921 -8.949 18 3HZ LYS 2 HZ3 LYS 2 3.716 2.482 -9.399 19 H GLY 3 HN GLY 3 4.748 5.569 -4.384 20 1HA GLY 3 HA2 GLY 3 5.587 6.386 -1.625 21 2HA GLY 3 HA1 GLY 3 5.239 7.565 -2.891 22 H LYS 4 HN LYS 4 3.863 7.372 -0.333 23 HA LYS 4 HA LYS 4 1.469 6.040 -0.205 24 1HB LYS 4 HB2 LYS 4 2.522 8.300 1.019 25 2HB LYS 4 HB1 LYS 4 1.010 8.863 0.319 26 1HG LYS 4 HG2 LYS 4 0.206 6.498 1.321 27 2HG LYS 4 HG1 LYS 4 1.476 6.880 2.471 28 1HD LYS 4 HD2 LYS 4 -0.839 8.695 1.735 29 2HD LYS 4 HD1 LYS 4 -0.685 7.785 3.240 30 1HE LYS 4 HE2 LYS 4 1.223 9.059 3.921 31 2HE LYS 4 HE1 LYS 4 1.391 9.789 2.324 32 1HZ LYS 4 HZ1 LYS 4 0.340 11.299 3.898 33 2HZ LYS 4 HZ2 LYS 4 -0.909 10.177 4.163 34 3HZ LYS 4 HZ3 LYS 4 -0.722 10.898 2.636 35 H GLY 5 HN GLY 5 -0.628 6.394 -0.987 36 1HA GLY 5 HA2 GLY 5 -2.268 7.412 -2.435 37 2HA GLY 5 HA1 GLY 5 -0.971 8.332 -3.208 38 H ALA 6 HN ALA 6 0.776 5.990 -3.443 39 HA ALA 6 HA ALA 6 -0.192 5.003 -5.982 40 1HB ALA 6 HB1 ALA 6 2.281 5.271 -5.022 41 2HB ALA 6 HB2 ALA 6 1.898 4.026 -6.210 42 3HB ALA 6 HB3 ALA 6 2.003 3.608 -4.500 43 H LYS 7 HN LYS 7 -2.260 4.212 -5.063 44 HA LYS 7 HA LYS 7 -2.909 2.371 -3.237 45 1HB LYS 7 HB2 LYS 7 -4.581 1.461 -4.717 46 2HB LYS 7 HB1 LYS 7 -4.388 3.169 -5.114 47 1HG LYS 7 HG2 LYS 7 -2.451 1.788 -6.630 48 2HG LYS 7 HG1 LYS 7 -3.944 0.871 -6.787 49 1HD LYS 7 HD2 LYS 7 -5.123 3.051 -7.307 50 2HD LYS 7 HD1 LYS 7 -3.530 3.804 -7.397 51 1HE LYS 7 HE2 LYS 7 -3.249 1.533 -8.967 52 2HE LYS 7 HE1 LYS 7 -4.882 2.083 -9.339 53 1HZ LYS 7 HZ1 LYS 7 -4.120 4.121 -10.081 54 2HZ LYS 7 HZ2 LYS 7 -2.925 3.059 -10.654 55 3HZ LYS 7 HZ3 LYS 7 -2.638 3.993 -9.265 56 H CYS 8 HN CYS 8 -2.853 0.037 -3.005 57 HA CYS 8 HA CYS 8 -1.047 -1.441 -4.824 58 1HB CYS 8 HB2 CYS 8 0.339 -2.233 -2.918 59 2HB CYS 8 HB1 CYS 8 0.459 -0.488 -3.135 60 H SER 9 HN SER 9 -0.762 -3.758 -3.396 61 HA SER 9 HA SER 9 -3.550 -4.734 -3.295 62 1HB SER 9 HB2 SER 9 -0.924 -5.894 -3.889 63 2HB SER 9 HB1 SER 9 -1.932 -6.919 -2.874 64 HG SER 9 HG SER 9 -2.222 -6.173 -5.511 65 H ARG 10 HN ARG 10 -0.947 -6.156 -1.480 66 HA ARG 10 HA ARG 10 -2.051 -5.165 1.079 67 1HB ARG 10 HB2 ARG 10 -2.953 -7.567 0.041 68 2HB ARG 10 HB1 ARG 10 -1.647 -8.073 1.113 69 1HG ARG 10 HG2 ARG 10 -3.438 -8.009 2.589 70 2HG ARG 10 HG1 ARG 10 -2.777 -6.388 2.798 71 1HD ARG 10 HD2 ARG 10 -4.415 -5.847 0.775 72 2HD ARG 10 HD1 ARG 10 -5.277 -7.254 1.389 73 HE ARG 10 HE ARG 10 -5.345 -4.636 2.517 74 1HH1 ARG 10 HH21 ARG 10 -4.934 -7.924 3.496 75 2HH1 ARG 10 HH22 ARG 10 -5.262 -7.596 5.161 76 1HH2 ARG 10 HH11 ARG 10 -5.796 -4.213 4.674 77 2HH2 ARG 10 HH12 ARG 10 -5.758 -5.507 5.826 78 H LEU 11 HN LEU 11 0.017 -7.963 0.261 79 HA LEU 11 HA LEU 11 2.184 -6.659 1.855 80 1HB LEU 11 HB2 LEU 11 1.467 -9.541 1.326 81 2HB LEU 11 HB1 LEU 11 3.082 -9.092 1.873 82 HG LEU 11 HG LEU 11 1.453 -9.688 3.723 83 1HD1 LEU 11 HD11 LEU 11 2.554 -8.261 5.132 84 2HD1 LEU 11 HD12 LEU 11 2.158 -6.839 4.167 85 3HD1 LEU 11 HD13 LEU 11 3.484 -7.896 3.678 86 1HD2 LEU 11 HD21 LEU 11 0.273 -6.962 3.199 87 2HD2 LEU 11 HD22 LEU 11 -0.348 -8.248 4.234 88 3HD2 LEU 11 HD23 LEU 11 -0.432 -8.409 2.481 89 H MET 12 HN MET 12 1.668 -6.071 -0.975 90 HA MET 12 HA MET 12 3.493 -7.525 -2.652 91 1HB MET 12 HB2 MET 12 1.892 -5.054 -2.834 92 2HB MET 12 HB1 MET 12 3.379 -5.026 -3.784 93 1HG MET 12 HG2 MET 12 2.109 -7.595 -4.072 94 2HG MET 12 HG1 MET 12 0.946 -6.320 -4.439 95 1HE MET 12 HE1 MET 12 3.828 -8.333 -6.676 96 2HE MET 12 HE2 MET 12 2.246 -8.112 -7.418 97 3HE MET 12 HE3 MET 12 2.359 -8.636 -5.740 98 H TYR 13 HN TYR 13 3.941 -5.094 -0.237 99 HA TYR 13 HA TYR 13 5.866 -4.003 0.533 100 1HB TYR 13 HB2 TYR 13 6.889 -6.516 -0.738 101 2HB TYR 13 HB1 TYR 13 8.055 -5.289 -0.238 102 HD1 TYR 13 HD1 TYR 13 7.002 -4.135 2.159 103 HD2 TYR 13 HD2 TYR 13 6.819 -8.222 0.852 104 HE1 TYR 13 HE1 TYR 13 6.772 -4.877 4.513 105 HE2 TYR 13 HE2 TYR 13 6.590 -8.964 3.206 106 HH TYR 13 HH TYR 13 6.761 -6.640 5.892 107 H ASP 14 HN ASP 14 5.017 -2.419 -1.260 108 HA ASP 14 HA ASP 14 7.283 -1.958 -3.155 109 1HB ASP 14 HB2 ASP 14 5.401 -0.821 -4.579 110 2HB ASP 14 HB1 ASP 14 5.577 -2.575 -4.633 111 H CYS 15 HN CYS 15 4.806 -0.575 -1.056 112 HA CYS 15 HA CYS 15 5.265 2.183 -1.579 113 1HB CYS 15 HB2 CYS 15 4.761 1.121 1.201 114 2HB CYS 15 HB1 CYS 15 4.211 2.635 0.483 115 H CYS 16 HN CYS 16 6.948 3.412 -1.276 116 HA CYS 16 HA CYS 16 9.438 2.414 -0.278 117 1HB CYS 16 HB2 CYS 16 8.796 4.401 -1.908 118 2HB CYS 16 HB1 CYS 16 8.847 5.336 -0.422 119 H THR 17 HN THR 17 6.830 4.307 1.176 120 HA THR 17 HA THR 17 8.346 4.264 3.757 121 HB THR 17 HB THR 17 6.511 6.097 4.300 122 HG1 THR 17 HG1 THR 17 5.370 6.513 2.604 123 1HG2 THR 17 HG21 THR 17 8.105 7.779 3.763 124 2HG2 THR 17 HG22 THR 17 8.759 6.835 2.424 125 3HG2 THR 17 HG23 THR 17 9.050 6.325 4.086 126 H GLY 18 HN GLY 18 7.452 3.077 5.389 127 1HA GLY 18 HA2 GLY 18 5.927 1.697 6.517 128 2HA GLY 18 HA1 GLY 18 4.669 2.755 5.870 129 H SER 19 HN SER 19 3.497 0.598 5.745 130 HA SER 19 HA SER 19 4.208 -0.782 3.186 131 1HB SER 19 HB2 SER 19 4.152 -2.738 4.304 132 2HB SER 19 HB1 SER 19 3.851 -1.863 5.802 133 HG SER 19 HG SER 19 2.199 -3.398 5.245 134 H CYS 20 HN CYS 20 2.047 -2.024 2.430 135 HA CYS 20 HA CYS 20 0.258 -0.189 1.390 136 1HB CYS 20 HB2 CYS 20 -0.074 -3.069 2.195 137 2HB CYS 20 HB1 CYS 20 -1.462 -2.165 1.589 138 H ARG 21 HN ARG 21 -1.316 1.107 2.239 139 HA ARG 21 HA ARG 21 -2.328 0.465 4.979 140 1HB ARG 21 HB2 ARG 21 -0.763 2.326 5.168 141 2HB ARG 21 HB1 ARG 21 -1.583 3.184 3.861 142 1HG ARG 21 HG2 ARG 21 -2.949 4.108 5.391 143 2HG ARG 21 HG1 ARG 21 -3.591 2.500 5.728 144 1HD ARG 21 HD2 ARG 21 -1.166 2.519 7.080 145 2HD ARG 21 HD1 ARG 21 -1.788 4.148 7.332 146 HE ARG 21 HE ARG 21 -3.966 2.502 7.844 147 1HH1 ARG 21 HH21 ARG 21 -0.702 2.773 8.944 148 2HH1 ARG 21 HH22 ARG 21 -1.049 2.155 10.524 149 1HH2 ARG 21 HH11 ARG 21 -4.426 1.696 9.899 150 2HH2 ARG 21 HH12 ARG 21 -3.153 1.546 11.065 151 H SER 22 HN SER 22 -4.505 0.216 4.949 152 HA SER 22 HA SER 22 -6.748 0.439 4.282 153 1HB SER 22 HB2 SER 22 -5.802 2.976 4.385 154 2HB SER 22 HB1 SER 22 -6.205 2.875 2.672 155 HG SER 22 HG SER 22 -8.292 2.101 3.358 156 H GLY 23 HN GLY 23 -4.594 -0.789 2.532 157 1HA GLY 23 HA2 GLY 23 -4.912 -2.067 0.532 158 2HA GLY 23 HA1 GLY 23 -6.285 -1.037 0.123 159 H LYS 24 HN LYS 24 -4.448 1.344 0.836 160 HA LYS 24 HA LYS 24 -3.100 1.387 -1.818 161 1HB LYS 24 HB2 LYS 24 -3.507 3.918 -0.308 162 2HB LYS 24 HB1 LYS 24 -3.621 3.620 -2.042 163 1HG LYS 24 HG2 LYS 24 -5.793 2.676 -1.843 164 2HG LYS 24 HG1 LYS 24 -5.635 2.509 -0.098 165 1HD LYS 24 HD2 LYS 24 -5.754 4.881 0.234 166 2HD LYS 24 HD1 LYS 24 -5.606 5.189 -1.497 167 1HE LYS 24 HE2 LYS 24 -7.939 3.932 -0.036 168 2HE LYS 24 HE1 LYS 24 -7.932 5.429 -0.972 169 1HZ LYS 24 HZ1 LYS 24 -8.815 3.922 -2.448 170 2HZ LYS 24 HZ2 LYS 24 -7.827 2.644 -1.923 171 3HZ LYS 24 HZ3 LYS 24 -7.176 3.889 -2.879 172 1H CYS 25 H1 CYS 25 2.045 3.450 1.616 173 H CYS 25 HN CYS 25 -1.124 2.941 -1.792 174 HA CYS 25 HA CYS 25 0.711 1.901 0.204 175 1HB CYS 25 HB2 CYS 25 0.905 3.681 -2.166 176 2HB CYS 25 HB1 CYS 25 2.117 3.934 -0.912 Start of MODEL 24 1 2H CYS 1 HT2 CYS 1 11.918 2.330 -5.214 2 3H CYS 1 HT3 CYS 1 10.995 3.640 -5.771 3 HA CYS 1 HA CYS 1 9.566 1.245 -4.892 4 1HB CYS 1 HB2 CYS 1 9.613 2.496 -2.556 5 2HB CYS 1 HB1 CYS 1 10.872 1.337 -2.976 6 H LYS 2 HN LYS 2 7.446 1.915 -4.088 7 HA LYS 2 HA LYS 2 6.509 4.362 -5.444 8 1HB LYS 2 HB2 LYS 2 5.014 2.190 -3.949 9 2HB LYS 2 HB1 LYS 2 4.253 3.517 -4.826 10 1HG LYS 2 HG2 LYS 2 6.199 1.605 -6.130 11 2HG LYS 2 HG1 LYS 2 4.459 1.326 -6.110 12 1HD LYS 2 HD2 LYS 2 4.047 2.967 -7.637 13 2HD LYS 2 HD1 LYS 2 5.280 4.034 -6.967 14 1HE LYS 2 HE2 LYS 2 7.000 2.416 -7.967 15 2HE LYS 2 HE1 LYS 2 5.657 1.722 -8.876 16 1HZ LYS 2 HZ1 LYS 2 6.599 3.364 -10.243 17 2HZ LYS 2 HZ2 LYS 2 6.686 4.498 -8.981 18 3HZ LYS 2 HZ3 LYS 2 5.179 4.056 -9.627 19 H GLY 3 HN GLY 3 4.596 5.458 -4.029 20 1HA GLY 3 HA2 GLY 3 5.606 5.865 -1.251 21 2HA GLY 3 HA1 GLY 3 5.307 7.264 -2.285 22 H LYS 4 HN LYS 4 3.852 7.123 0.059 23 HA LYS 4 HA LYS 4 1.475 5.718 0.133 24 1HB LYS 4 HB2 LYS 4 2.450 8.252 1.176 25 2HB LYS 4 HB1 LYS 4 0.718 8.257 0.909 26 1HG LYS 4 HG2 LYS 4 0.438 6.273 2.238 27 2HG LYS 4 HG1 LYS 4 2.175 6.058 2.369 28 1HD LYS 4 HD2 LYS 4 1.522 7.059 4.431 29 2HD LYS 4 HD1 LYS 4 2.222 8.372 3.482 30 1HE LYS 4 HE2 LYS 4 0.248 9.375 4.166 31 2HE LYS 4 HE1 LYS 4 -0.281 8.651 2.646 32 1HZ LYS 4 HZ1 LYS 4 -1.844 8.097 4.340 33 2HZ LYS 4 HZ2 LYS 4 -0.620 7.526 5.371 34 3HZ LYS 4 HZ3 LYS 4 -0.990 6.688 3.941 35 H GLY 5 HN GLY 5 -0.570 6.055 -0.693 36 1HA GLY 5 HA2 GLY 5 -2.213 7.119 -2.116 37 2HA GLY 5 HA1 GLY 5 -0.920 8.101 -2.820 38 H ALA 6 HN ALA 6 0.894 5.860 -3.154 39 HA ALA 6 HA ALA 6 0.010 4.936 -5.742 40 1HB ALA 6 HB1 ALA 6 2.230 3.646 -4.168 41 2HB ALA 6 HB2 ALA 6 2.445 5.265 -4.832 42 3HB ALA 6 HB3 ALA 6 2.119 3.907 -5.910 43 H LYS 7 HN LYS 7 -2.056 4.071 -4.879 44 HA LYS 7 HA LYS 7 -2.671 2.159 -3.117 45 1HB LYS 7 HB2 LYS 7 -4.339 1.291 -4.610 46 2HB LYS 7 HB1 LYS 7 -4.141 3.003 -4.998 47 1HG LYS 7 HG2 LYS 7 -2.200 1.728 -6.536 48 2HG LYS 7 HG1 LYS 7 -3.601 0.674 -6.647 49 1HD LYS 7 HD2 LYS 7 -3.880 3.649 -7.010 50 2HD LYS 7 HD1 LYS 7 -3.430 2.605 -8.359 51 1HE LYS 7 HE2 LYS 7 -5.461 1.253 -7.997 52 2HE LYS 7 HE1 LYS 7 -5.914 2.295 -6.648 53 1HZ LYS 7 HZ1 LYS 7 -5.321 3.765 -9.030 54 2HZ LYS 7 HZ2 LYS 7 -6.687 3.841 -8.022 55 3HZ LYS 7 HZ3 LYS 7 -6.599 2.672 -9.252 56 H CYS 8 HN CYS 8 -2.542 -0.145 -2.927 57 HA CYS 8 HA CYS 8 -0.849 -1.631 -4.813 58 1HB CYS 8 HB2 CYS 8 0.744 -2.303 -2.981 59 2HB CYS 8 HB1 CYS 8 0.860 -0.602 -3.427 60 H SER 9 HN SER 9 -0.311 -3.835 -3.173 61 HA SER 9 HA SER 9 -3.058 -4.874 -2.783 62 1HB SER 9 HB2 SER 9 -2.192 -6.823 -3.522 63 2HB SER 9 HB1 SER 9 -0.692 -5.963 -3.836 64 HG SER 9 HG SER 9 -0.237 -7.649 -2.463 65 H ARG 10 HN ARG 10 -2.547 -6.862 -0.868 66 HA ARG 10 HA ARG 10 -2.581 -5.257 1.561 67 1HB ARG 10 HB2 ARG 10 -3.929 -7.389 1.173 68 2HB ARG 10 HB1 ARG 10 -2.419 -8.276 1.390 69 1HG ARG 10 HG2 ARG 10 -2.520 -8.042 3.630 70 2HG ARG 10 HG1 ARG 10 -2.767 -6.306 3.490 71 1HD ARG 10 HD2 ARG 10 -5.037 -6.475 3.632 72 2HD ARG 10 HD1 ARG 10 -5.092 -7.997 2.749 73 HE ARG 10 HE ARG 10 -5.196 -7.722 5.579 74 1HH1 ARG 10 HH21 ARG 10 -3.513 -9.550 3.173 75 2HH1 ARG 10 HH22 ARG 10 -3.005 -10.772 4.287 76 1HH2 ARG 10 HH11 ARG 10 -4.549 -9.314 7.021 77 2HH2 ARG 10 HH12 ARG 10 -3.591 -10.643 6.457 78 H LEU 11 HN LEU 11 -0.206 -7.107 -0.197 79 HA LEU 11 HA LEU 11 1.884 -6.119 1.608 80 1HB LEU 11 HB2 LEU 11 0.953 -8.931 1.633 81 2HB LEU 11 HB1 LEU 11 2.701 -8.709 1.552 82 HG LEU 11 HG LEU 11 1.638 -6.840 3.444 83 1HD1 LEU 11 HD11 LEU 11 1.068 -9.611 4.391 84 2HD1 LEU 11 HD12 LEU 11 -0.135 -8.839 3.358 85 3HD1 LEU 11 HD13 LEU 11 0.336 -8.084 4.882 86 1HD2 LEU 11 HD21 LEU 11 3.492 -7.514 4.574 87 2HD2 LEU 11 HD22 LEU 11 3.863 -8.428 3.113 88 3HD2 LEU 11 HD23 LEU 11 3.047 -9.218 4.461 89 H MET 12 HN MET 12 2.658 -5.069 -0.287 90 HA MET 12 HA MET 12 3.685 -6.906 -2.416 91 1HB MET 12 HB2 MET 12 2.148 -4.491 -2.577 92 2HB MET 12 HB1 MET 12 3.735 -4.191 -3.288 93 1HG MET 12 HG2 MET 12 2.064 -6.616 -3.975 94 2HG MET 12 HG1 MET 12 1.982 -5.109 -4.887 95 1HE MET 12 HE1 MET 12 4.228 -5.395 -7.438 96 2HE MET 12 HE2 MET 12 4.655 -4.149 -6.267 97 3HE MET 12 HE3 MET 12 2.964 -4.568 -6.518 98 H TYR 13 HN TYR 13 4.531 -4.740 0.085 99 HA TYR 13 HA TYR 13 6.593 -3.871 0.778 100 1HB TYR 13 HB2 TYR 13 7.988 -5.829 -1.019 101 2HB TYR 13 HB1 TYR 13 8.397 -5.337 0.624 102 HD1 TYR 13 HD1 TYR 13 6.273 -7.506 -1.448 103 HD2 TYR 13 HD2 TYR 13 7.245 -6.297 2.556 104 HE1 TYR 13 HE1 TYR 13 5.047 -9.466 -0.559 105 HE2 TYR 13 HE2 TYR 13 6.018 -8.259 3.448 106 HH TYR 13 HH TYR 13 4.803 -10.045 2.954 107 H ASP 14 HN ASP 14 5.326 -2.801 -1.683 108 HA ASP 14 HA ASP 14 7.735 -2.024 -3.255 109 1HB ASP 14 HB2 ASP 14 5.902 -0.947 -4.748 110 2HB ASP 14 HB1 ASP 14 6.046 -2.705 -4.750 111 H CYS 15 HN CYS 15 5.201 -0.739 -1.168 112 HA CYS 15 HA CYS 15 5.543 2.029 -1.673 113 1HB CYS 15 HB2 CYS 15 5.179 0.949 1.122 114 2HB CYS 15 HB1 CYS 15 4.553 2.444 0.425 115 H CYS 16 HN CYS 16 7.218 3.279 -1.476 116 HA CYS 16 HA CYS 16 9.761 2.377 -0.515 117 1HB CYS 16 HB2 CYS 16 9.054 4.290 -2.193 118 2HB CYS 16 HB1 CYS 16 9.068 5.279 -0.739 119 H THR 17 HN THR 17 7.105 4.150 0.957 120 HA THR 17 HA THR 17 8.593 4.060 3.548 121 HB THR 17 HB THR 17 7.152 6.223 4.016 122 HG1 THR 17 HG1 THR 17 6.207 6.955 2.309 123 1HG2 THR 17 HG21 THR 17 9.498 6.539 2.149 124 2HG2 THR 17 HG22 THR 17 9.707 5.912 3.785 125 3HG2 THR 17 HG23 THR 17 9.057 7.534 3.536 126 H GLY 18 HN GLY 18 7.437 3.016 5.106 127 1HA GLY 18 HA2 GLY 18 5.544 2.289 6.329 128 2HA GLY 18 HA1 GLY 18 4.521 3.194 5.213 129 H SER 19 HN SER 19 3.075 1.394 4.977 130 HA SER 19 HA SER 19 4.119 -0.671 3.107 131 1HB SER 19 HB2 SER 19 2.141 -1.742 4.978 132 2HB SER 19 HB1 SER 19 3.684 -2.422 4.469 133 HG SER 19 HG SER 19 4.119 -1.919 6.502 134 H CYS 20 HN CYS 20 1.643 -2.122 3.061 135 HA CYS 20 HA CYS 20 0.080 -0.276 1.381 136 1HB CYS 20 HB2 CYS 20 0.008 -3.234 1.953 137 2HB CYS 20 HB1 CYS 20 -1.334 -2.445 1.121 138 H ARG 21 HN ARG 21 -1.022 1.138 2.833 139 HA ARG 21 HA ARG 21 -2.598 -0.094 5.025 140 1HB ARG 21 HB2 ARG 21 -1.218 2.011 5.377 141 2HB ARG 21 HB1 ARG 21 -2.375 2.847 4.342 142 1HG ARG 21 HG2 ARG 21 -4.193 1.919 5.904 143 2HG ARG 21 HG1 ARG 21 -2.880 1.526 7.012 144 1HD ARG 21 HD2 ARG 21 -3.529 3.666 7.722 145 2HD ARG 21 HD1 ARG 21 -2.161 4.009 6.660 146 HE ARG 21 HE ARG 21 -4.332 4.130 4.960 147 1HH1 ARG 21 HH21 ARG 21 -3.484 5.535 8.000 148 2HH1 ARG 21 HH22 ARG 21 -4.366 6.998 7.714 149 1HH2 ARG 21 HH11 ARG 21 -5.488 6.031 4.580 150 2HH2 ARG 21 HH12 ARG 21 -5.500 7.278 5.783 151 H SER 22 HN SER 22 -4.837 -0.160 5.014 152 HA SER 22 HA SER 22 -6.981 -0.211 4.058 153 1HB SER 22 HB2 SER 22 -6.152 2.372 2.723 154 2HB SER 22 HB1 SER 22 -7.774 1.871 3.190 155 HG SER 22 HG SER 22 -7.381 2.716 5.062 156 H GLY 23 HN GLY 23 -4.517 -1.178 2.483 157 1HA GLY 23 HA2 GLY 23 -4.525 -2.470 0.467 158 2HA GLY 23 HA1 GLY 23 -6.002 -1.642 -0.026 159 H LYS 24 HN LYS 24 -3.997 0.737 1.061 160 HA LYS 24 HA LYS 24 -2.897 1.159 -1.679 161 1HB LYS 24 HB2 LYS 24 -4.288 2.985 0.215 162 2HB LYS 24 HB1 LYS 24 -2.977 3.668 -0.749 163 1HG LYS 24 HG2 LYS 24 -4.442 2.103 -2.551 164 2HG LYS 24 HG1 LYS 24 -5.655 2.922 -1.572 165 1HD LYS 24 HD2 LYS 24 -3.319 4.337 -2.875 166 2HD LYS 24 HD1 LYS 24 -4.930 4.238 -3.589 167 1HE LYS 24 HE2 LYS 24 -4.433 5.331 -0.809 168 2HE LYS 24 HE1 LYS 24 -4.462 6.352 -2.247 169 1HZ LYS 24 HZ1 LYS 24 -6.648 6.447 -1.864 170 2HZ LYS 24 HZ2 LYS 24 -6.637 5.092 -0.839 171 3HZ LYS 24 HZ3 LYS 24 -6.706 4.886 -2.524 172 1H CYS 25 H1 CYS 25 2.377 3.048 1.618 173 H CYS 25 HN CYS 25 -0.898 2.573 -1.695 174 HA CYS 25 HA CYS 25 1.014 1.520 0.208 175 1HB CYS 25 HB2 CYS 25 1.081 3.330 -2.130 176 2HB CYS 25 HB1 CYS 25 2.307 3.655 -0.908 Start of MODEL 25 1 2H CYS 1 HT2 CYS 1 10.199 3.127 -6.232 2 3H CYS 1 HT3 CYS 1 9.489 1.775 -6.976 3 HA CYS 1 HA CYS 1 8.620 0.965 -4.960 4 1HB CYS 1 HB2 CYS 1 9.148 2.405 -2.862 5 2HB CYS 1 HB1 CYS 1 10.363 1.253 -3.407 6 H LYS 2 HN LYS 2 6.632 1.755 -4.173 7 HA LYS 2 HA LYS 2 5.658 4.167 -5.509 8 1HB LYS 2 HB2 LYS 2 4.463 1.931 -3.919 9 2HB LYS 2 HB1 LYS 2 3.555 3.437 -4.058 10 1HG LYS 2 HG2 LYS 2 2.966 1.848 -5.863 11 2HG LYS 2 HG1 LYS 2 3.693 3.320 -6.501 12 1HD LYS 2 HD2 LYS 2 5.919 2.096 -6.480 13 2HD LYS 2 HD1 LYS 2 5.009 0.622 -6.149 14 1HE LYS 2 HE2 LYS 2 4.340 2.419 -8.482 15 2HE LYS 2 HE1 LYS 2 5.531 1.125 -8.615 16 1HZ LYS 2 HZ1 LYS 2 3.148 0.576 -9.227 17 2HZ LYS 2 HZ2 LYS 2 2.813 0.635 -7.562 18 3HZ LYS 2 HZ3 LYS 2 3.932 -0.491 -8.167 19 H GLY 3 HN GLY 3 4.467 5.841 -4.247 20 1HA GLY 3 HA2 GLY 3 5.913 6.442 -1.714 21 2HA GLY 3 HA1 GLY 3 5.095 7.637 -2.723 22 H LYS 4 HN LYS 4 4.584 7.358 0.079 23 HA LYS 4 HA LYS 4 2.444 5.738 0.817 24 1HB LYS 4 HB2 LYS 4 3.788 7.855 1.957 25 2HB LYS 4 HB1 LYS 4 2.139 8.456 1.835 26 1HG LYS 4 HG2 LYS 4 1.728 5.898 2.677 27 2HG LYS 4 HG1 LYS 4 3.233 6.281 3.495 28 1HD LYS 4 HD2 LYS 4 1.587 7.020 5.014 29 2HD LYS 4 HD1 LYS 4 2.062 8.494 4.171 30 1HE LYS 4 HE2 LYS 4 0.145 8.083 2.569 31 2HE LYS 4 HE1 LYS 4 -0.384 6.788 3.644 32 1HZ LYS 4 HZ1 LYS 4 0.185 9.295 4.962 33 2HZ LYS 4 HZ2 LYS 4 -1.130 8.235 5.156 34 3HZ LYS 4 HZ3 LYS 4 -1.120 9.358 3.880 35 H GLY 5 HN GLY 5 0.250 5.930 0.754 36 1HA GLY 5 HA2 GLY 5 -1.871 6.592 -0.018 37 2HA GLY 5 HA1 GLY 5 -1.168 8.152 -0.422 38 H ALA 6 HN ALA 6 0.835 6.251 -2.095 39 HA ALA 6 HA ALA 6 -0.617 6.695 -4.578 40 1HB ALA 6 HB1 ALA 6 1.944 6.862 -4.133 41 2HB ALA 6 HB2 ALA 6 1.390 6.193 -5.669 42 3HB ALA 6 HB3 ALA 6 1.929 5.115 -4.381 43 H LYS 7 HN LYS 7 -1.937 4.747 -2.857 44 HA LYS 7 HA LYS 7 -2.849 2.613 -2.946 45 1HB LYS 7 HB2 LYS 7 -2.950 3.763 -5.495 46 2HB LYS 7 HB1 LYS 7 -2.424 2.093 -5.743 47 1HG LYS 7 HG2 LYS 7 -4.415 2.037 -3.732 48 2HG LYS 7 HG1 LYS 7 -5.025 3.057 -5.025 49 1HD LYS 7 HD2 LYS 7 -3.700 0.674 -6.060 50 2HD LYS 7 HD1 LYS 7 -5.044 0.269 -4.992 51 1HE LYS 7 HE2 LYS 7 -6.495 1.827 -6.301 52 2HE LYS 7 HE1 LYS 7 -5.154 2.081 -7.419 53 1HZ LYS 7 HZ1 LYS 7 -6.712 0.362 -8.177 54 2HZ LYS 7 HZ2 LYS 7 -6.359 -0.561 -6.793 55 3HZ LYS 7 HZ3 LYS 7 -5.146 -0.247 -7.942 56 H CYS 8 HN CYS 8 -2.419 0.331 -3.379 57 HA CYS 8 HA CYS 8 0.008 -0.641 -4.486 58 1HB CYS 8 HB2 CYS 8 1.355 -1.040 -2.522 59 2HB CYS 8 HB1 CYS 8 0.978 0.678 -2.577 60 H SER 9 HN SER 9 0.540 -2.829 -2.896 61 HA SER 9 HA SER 9 -2.008 -4.320 -3.134 62 1HB SER 9 HB2 SER 9 0.538 -4.964 -3.880 63 2HB SER 9 HB1 SER 9 0.452 -5.750 -2.308 64 HG SER 9 HG SER 9 -1.487 -6.753 -3.037 65 H ARG 10 HN ARG 10 -1.454 -6.356 -1.227 66 HA ARG 10 HA ARG 10 -2.096 -4.864 1.251 67 1HB ARG 10 HB2 ARG 10 -3.305 -7.015 0.287 68 2HB ARG 10 HB1 ARG 10 -1.987 -7.862 1.100 69 1HG ARG 10 HG2 ARG 10 -2.586 -6.419 3.160 70 2HG ARG 10 HG1 ARG 10 -4.097 -6.080 2.315 71 1HD ARG 10 HD2 ARG 10 -3.650 -8.875 2.121 72 2HD ARG 10 HD1 ARG 10 -3.364 -8.431 3.804 73 HE ARG 10 HE ARG 10 -5.914 -8.677 2.611 74 1HH1 ARG 10 HH21 ARG 10 -4.126 -6.369 4.479 75 2HH1 ARG 10 HH22 ARG 10 -5.535 -5.489 4.956 76 1HH2 ARG 10 HH11 ARG 10 -7.740 -7.542 3.254 77 2HH2 ARG 10 HH12 ARG 10 -7.573 -6.152 4.273 78 H LEU 11 HN LEU 11 0.378 -6.949 -0.113 79 HA LEU 11 HA LEU 11 2.226 -6.118 2.017 80 1HB LEU 11 HB2 LEU 11 1.211 -8.926 1.691 81 2HB LEU 11 HB1 LEU 11 2.881 -8.670 2.204 82 HG LEU 11 HG LEU 11 1.553 -6.893 3.807 83 1HD1 LEU 11 HD11 LEU 11 -0.508 -7.729 4.522 84 2HD1 LEU 11 HD12 LEU 11 -0.173 -9.351 3.913 85 3HD1 LEU 11 HD13 LEU 11 -0.575 -8.052 2.790 86 1HD2 LEU 11 HD21 LEU 11 2.973 -8.166 5.049 87 2HD2 LEU 11 HD22 LEU 11 2.693 -9.600 4.061 88 3HD2 LEU 11 HD23 LEU 11 1.556 -9.175 5.341 89 H MET 12 HN MET 12 1.775 -6.008 -0.991 90 HA MET 12 HA MET 12 3.746 -7.592 -2.318 91 1HB MET 12 HB2 MET 12 1.959 -6.344 -3.496 92 2HB MET 12 HB1 MET 12 2.730 -4.825 -3.037 93 1HG MET 12 HG2 MET 12 3.423 -5.376 -5.291 94 2HG MET 12 HG1 MET 12 4.803 -5.599 -4.218 95 1HE MET 12 HE1 MET 12 2.603 -8.335 -6.881 96 2HE MET 12 HE2 MET 12 2.160 -6.741 -6.281 97 3HE MET 12 HE3 MET 12 1.637 -8.180 -5.408 98 H TYR 13 HN TYR 13 4.014 -4.909 -0.200 99 HA TYR 13 HA TYR 13 5.883 -3.759 0.609 100 1HB TYR 13 HB2 TYR 13 7.105 -6.183 -0.664 101 2HB TYR 13 HB1 TYR 13 8.154 -4.883 -0.100 102 HD1 TYR 13 HD1 TYR 13 6.888 -3.865 2.273 103 HD2 TYR 13 HD2 TYR 13 7.159 -7.922 0.892 104 HE1 TYR 13 HE1 TYR 13 6.640 -4.672 4.602 105 HE2 TYR 13 HE2 TYR 13 6.912 -8.732 3.221 106 HH TYR 13 HH TYR 13 6.198 -8.064 5.334 107 H ASP 14 HN ASP 14 4.740 -2.605 -1.608 108 HA ASP 14 HA ASP 14 7.009 -1.970 -3.430 109 1HB ASP 14 HB2 ASP 14 4.051 -1.854 -3.649 110 2HB ASP 14 HB1 ASP 14 4.929 -0.537 -4.428 111 H CYS 15 HN CYS 15 5.139 -0.729 -0.808 112 HA CYS 15 HA CYS 15 5.434 2.070 -1.170 113 1HB CYS 15 HB2 CYS 15 5.632 0.590 1.468 114 2HB CYS 15 HB1 CYS 15 5.138 2.266 1.218 115 H CYS 16 HN CYS 16 7.138 3.292 -1.268 116 HA CYS 16 HA CYS 16 9.804 2.271 -1.064 117 1HB CYS 16 HB2 CYS 16 8.733 4.364 -2.292 118 2HB CYS 16 HB1 CYS 16 9.209 5.182 -0.810 119 H THR 17 HN THR 17 7.703 4.027 1.173 120 HA THR 17 HA THR 17 9.449 3.235 3.400 121 HB THR 17 HB THR 17 10.439 5.387 2.656 122 HG1 THR 17 HG1 THR 17 9.878 4.701 5.000 123 1HG2 THR 17 HG21 THR 17 7.698 6.070 2.305 124 2HG2 THR 17 HG22 THR 17 9.114 7.050 1.934 125 3HG2 THR 17 HG23 THR 17 8.363 7.156 3.525 126 H GLY 18 HN GLY 18 7.587 2.060 4.076 127 1HA GLY 18 HA2 GLY 18 5.937 2.982 6.007 128 2HA GLY 18 HA1 GLY 18 5.083 3.541 4.567 129 H SER 19 HN SER 19 3.304 2.118 4.916 130 HA SER 19 HA SER 19 3.897 -0.700 4.157 131 1HB SER 19 HB2 SER 19 2.483 0.262 6.617 132 2HB SER 19 HB1 SER 19 1.925 -1.220 5.847 133 HG SER 19 HG SER 19 3.838 -1.084 7.513 134 H CYS 20 HN CYS 20 1.585 -1.804 3.788 135 HA CYS 20 HA CYS 20 0.164 0.013 1.927 136 1HB CYS 20 HB2 CYS 20 0.456 -2.949 2.207 137 2HB CYS 20 HB1 CYS 20 -1.020 -2.333 1.460 138 H ARG 21 HN ARG 21 -1.421 1.151 2.982 139 HA ARG 21 HA ARG 21 -3.218 -0.400 4.804 140 1HB ARG 21 HB2 ARG 21 -1.774 1.589 5.706 141 2HB ARG 21 HB1 ARG 21 -2.978 2.595 4.905 142 1HG ARG 21 HG2 ARG 21 -4.667 0.971 6.156 143 2HG ARG 21 HG1 ARG 21 -3.294 0.758 7.245 144 1HD ARG 21 HD2 ARG 21 -4.058 2.642 8.255 145 2HD ARG 21 HD1 ARG 21 -3.315 3.484 6.896 146 HE ARG 21 HE ARG 21 -5.833 2.830 5.958 147 1HH1 ARG 21 HH21 ARG 21 -4.549 4.413 8.749 148 2HH1 ARG 21 HH22 ARG 21 -5.916 5.458 8.941 149 1HH2 ARG 21 HH11 ARG 21 -7.619 4.187 6.202 150 2HH2 ARG 21 HH12 ARG 21 -7.652 5.331 7.502 151 H SER 22 HN SER 22 -5.379 -0.382 4.311 152 HA SER 22 HA SER 22 -7.288 -0.092 2.969 153 1HB SER 22 HB2 SER 22 -6.320 2.475 3.815 154 2HB SER 22 HB1 SER 22 -6.973 2.624 2.185 155 HG SER 22 HG SER 22 -8.429 2.747 4.164 156 H GLY 23 HN GLY 23 -4.708 -0.824 1.635 157 1HA GLY 23 HA2 GLY 23 -4.209 -1.335 -0.626 158 2HA GLY 23 HA1 GLY 23 -5.602 -0.367 -1.117 159 H LYS 24 HN LYS 24 -4.093 1.622 0.928 160 HA LYS 24 HA LYS 24 -2.602 2.966 -1.250 161 1HB LYS 24 HB2 LYS 24 -3.566 4.001 1.428 162 2HB LYS 24 HB1 LYS 24 -2.758 4.967 0.192 163 1HG LYS 24 HG2 LYS 24 -4.604 5.038 -1.155 164 2HG LYS 24 HG1 LYS 24 -5.107 3.405 -0.723 165 1HD LYS 24 HD2 LYS 24 -5.715 4.357 1.575 166 2HD LYS 24 HD1 LYS 24 -5.526 5.953 0.846 167 1HE LYS 24 HE2 LYS 24 -7.298 3.826 -0.368 168 2HE LYS 24 HE1 LYS 24 -7.895 4.985 0.819 169 1HZ LYS 24 HZ1 LYS 24 -8.081 6.488 -0.774 170 2HZ LYS 24 HZ2 LYS 24 -7.544 5.358 -1.924 171 3HZ LYS 24 HZ3 LYS 24 -6.428 6.366 -1.132 172 1H CYS 25 H1 CYS 25 2.835 2.989 2.335 173 2H CYS 25 H2 CYS 25 2.225 4.213 3.340 174 H CYS 25 HN CYS 25 -0.417 3.576 -0.959 175 HA CYS 25 HA CYS 25 1.092 1.852 0.820 176 1HB CYS 25 HB2 CYS 25 1.663 3.798 -1.300 177 2HB CYS 25 HB1 CYS 25 2.846 3.834 0.008
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