NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602300 | 2n2s | 25610 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 -2.949 -3.565 7.263 2 H2 SER 1 HT2 SER 1 -3.432 -3.868 5.670 3 H3 SER 1 HT3 SER 1 -3.750 -4.998 6.886 4 HA SER 1 HA SER 1 -5.711 -3.751 6.261 5 HB2 SER 1 HB3 SER 1 -4.705 -3.204 9.093 6 HB3 SER 1 HB2 SER 1 -6.396 -3.233 8.583 7 HG SER 1 HG SER 1 -5.256 -5.230 9.555 8 H CYS 2 H CYS 2 -5.441 -2.080 4.786 9 HA CYS 2 HA CYS 2 -5.307 0.617 5.884 10 HB2 CYS 2 HB3 CYS 2 -3.449 -0.222 3.610 11 HB3 CYS 2 HB2 CYS 2 -3.622 1.395 4.263 12 H GLY 3 H GLY 3 -5.675 2.204 3.974 13 HA2 GLY 3 HA3 GLY 3 -8.353 1.584 3.150 14 HA3 GLY 3 HA2 GLY 3 -7.505 3.107 2.957 15 H SER 4 H SER 4 -5.397 1.082 1.567 16 HA SER 4 HA SER 4 -4.761 0.561 -0.517 17 HB2 SER 4 HB3 SER 4 -7.706 0.532 -1.307 18 HB3 SER 4 HB2 SER 4 -6.379 -0.277 -2.147 19 HG SER 4 HG SER 4 -7.201 -0.833 0.518 20 H GLU 5 H GLU 5 -5.473 3.361 0.413 21 HA GLU 5 HA GLU 5 -6.181 4.787 -2.060 22 HB2 GLU 5 HB3 GLU 5 -7.464 5.285 -0.006 23 HB3 GLU 5 HB2 GLU 5 -5.983 5.721 0.838 24 HG2 GLU 5 HG3 GLU 5 -5.675 7.639 -0.693 25 HG3 GLU 5 HG2 GLU 5 -7.158 7.199 -1.544 26 H CYS 6 H CYS 6 -3.491 4.256 0.159 27 HA CYS 6 HA CYS 6 -1.730 6.022 -1.384 28 HB2 CYS 6 HB3 CYS 6 -1.424 4.520 1.226 29 HB3 CYS 6 HB2 CYS 6 -0.058 5.200 0.381 30 H ALA 7 H ALA 7 -2.897 3.768 -2.633 31 HA ALA 7 HA ALA 7 -0.607 2.087 -3.335 32 HB1 ALA 7 HB1 ALA 7 -2.804 1.036 -2.990 33 HB2 ALA 7 HB2 ALA 7 -2.203 0.790 -4.632 34 HB3 ALA 7 HB3 ALA 7 -3.460 1.992 -4.319 35 HA PRO 8 HA PRO 8 -2.018 4.484 -7.494 36 HB2 PRO 8 HB3 PRO 8 -1.498 7.341 -6.786 37 HB3 PRO 8 HB2 PRO 8 -2.935 6.609 -7.499 38 HG2 PRO 8 HG3 PRO 8 -2.937 7.551 -4.984 39 HG3 PRO 8 HG2 PRO 8 -3.879 6.111 -5.431 40 HD2 PRO 8 HD3 PRO 8 -1.148 6.220 -4.109 41 HD3 PRO 8 HD2 PRO 8 -2.594 5.272 -3.676 42 H GLU 9 H GLU 9 0.476 5.816 -5.416 43 HA GLU 9 HA GLU 9 1.917 7.167 -7.387 44 HB2 GLU 9 HB3 GLU 9 2.581 6.330 -4.537 45 HB3 GLU 9 HB2 GLU 9 3.624 7.352 -5.503 46 HG2 GLU 9 HG3 GLU 9 0.775 8.031 -4.730 47 HG3 GLU 9 HG2 GLU 9 2.214 8.619 -3.896 48 HA PRO 10 HA PRO 10 4.858 3.973 -8.809 49 HB2 PRO 10 HB3 PRO 10 7.087 5.624 -9.182 50 HB3 PRO 10 HB2 PRO 10 5.773 5.454 -10.364 51 HG2 PRO 10 HG3 PRO 10 6.175 7.591 -8.295 52 HG3 PRO 10 HG2 PRO 10 5.678 7.750 -9.998 53 HD2 PRO 10 HD3 PRO 10 3.866 7.882 -8.032 54 HD3 PRO 10 HD2 PRO 10 3.482 7.064 -9.563 55 H ASP 11 H ASP 11 5.602 6.317 -6.294 56 HA ASP 11 HA ASP 11 6.886 4.195 -4.676 57 HB2 ASP 11 HB3 ASP 11 8.466 6.046 -5.220 58 HB3 ASP 11 HB2 ASP 11 7.348 7.219 -4.530 59 H CYS 12 H CYS 12 4.663 3.593 -4.277 60 HA CYS 12 HA CYS 12 2.692 5.088 -2.912 61 HB2 CYS 12 HB3 CYS 12 1.782 2.964 -2.267 62 HB3 CYS 12 HB2 CYS 12 2.383 2.788 -3.901 63 H TRP 13 H TRP 13 5.636 3.471 -1.796 64 HA TRP 13 HA TRP 13 5.528 3.259 0.902 65 HB2 TRP 13 HB3 TRP 13 7.817 4.501 -0.667 66 HB3 TRP 13 HB2 TRP 13 7.931 3.745 0.864 67 HD1 TRP 13 HD1 TRP 13 7.987 2.980 -2.784 68 HE1 TRP 13 HE1 TRP 13 8.448 0.467 -3.142 69 HE3 TRP 13 HE3 TRP 13 7.490 1.442 1.989 70 HZ2 TRP 13 HZ2 TRP 13 8.600 -1.876 -1.561 71 HZ3 TRP 13 HZ3 TRP 13 7.787 -0.965 2.524 72 HH2 TRP 13 HH2 TRP 13 8.339 -2.584 0.784 73 H GLY 14 H GLY 14 5.792 6.183 -1.003 74 HA2 GLY 14 HA3 GLY 14 6.316 7.985 1.267 75 HA3 GLY 14 HA2 GLY 14 6.252 8.418 -0.436 76 H CYS 15 H CYS 15 3.900 6.727 1.531 77 HA CYS 15 HA CYS 15 1.985 8.812 1.795 78 HB2 CYS 15 HB3 CYS 15 1.845 8.040 -0.663 79 HB3 CYS 15 HB2 CYS 15 1.252 6.514 -0.079 80 H CYS 16 H CYS 16 2.650 5.401 1.534 81 HA CYS 16 HA CYS 16 0.528 4.474 3.246 82 HB2 CYS 16 HB3 CYS 16 1.031 3.165 1.374 83 HB3 CYS 16 HB2 CYS 16 2.748 3.258 1.622 84 H LEU 17 H LEU 17 4.065 4.752 3.492 85 HA LEU 17 HA LEU 17 4.390 3.295 5.885 86 HB2 LEU 17 HB3 LEU 17 6.161 5.392 4.609 87 HB3 LEU 17 HB2 LEU 17 6.635 4.514 6.055 88 HG LEU 17 HG LEU 17 6.094 3.280 3.322 89 HD11 LEU 17 HD11 LEU 17 8.213 4.511 3.417 90 HD12 LEU 17 HD12 LEU 17 8.488 2.775 3.292 91 HD13 LEU 17 HD13 LEU 17 8.696 3.589 4.845 92 HD21 LEU 17 HD21 LEU 17 6.869 1.155 4.302 93 HD22 LEU 17 HD22 LEU 17 5.406 1.723 5.097 94 HD23 LEU 17 HD23 LEU 17 6.969 1.909 5.896 95 H VAL 18 H VAL 18 2.930 6.377 5.670 96 HA VAL 18 HA VAL 18 3.837 7.338 8.287 97 HB VAL 18 HB VAL 18 3.325 8.991 6.500 98 HG11 VAL 18 HG11 VAL 18 1.019 9.454 5.777 99 HG12 VAL 18 HG12 VAL 18 0.429 8.099 6.743 100 HG13 VAL 18 HG13 VAL 18 1.494 7.806 5.370 101 HG21 VAL 18 HG21 VAL 18 1.423 9.260 8.867 102 HG22 VAL 18 HG22 VAL 18 1.980 10.581 7.832 103 HG23 VAL 18 HG23 VAL 18 3.129 9.721 8.855 104 H GLN 19 H GLN 19 1.471 5.207 7.117 105 HA GLN 19 HA GLN 19 -0.159 5.256 9.582 106 HB2 GLN 19 HB3 GLN 19 -2.211 5.227 8.137 107 HB3 GLN 19 HB2 GLN 19 -1.308 6.716 7.999 108 HG2 GLN 19 HG3 GLN 19 -0.255 5.745 5.926 109 HG3 GLN 19 HG2 GLN 19 -1.417 4.435 6.011 110 HE21 GLN 19 HE21 GLN 19 -0.926 6.564 4.021 111 HE22 GLN 19 HE22 GLN 19 -2.463 7.327 3.781 112 H CYS 20 H CYS 20 1.649 3.450 7.479 113 HA CYS 20 HA CYS 20 0.394 0.909 8.221 114 HB2 CYS 20 HB3 CYS 20 1.093 1.590 5.336 115 HB3 CYS 20 HB2 CYS 20 0.452 0.077 5.915 116 H ALA 21 H ALA 21 1.807 -0.923 7.562 117 HA ALA 21 HA ALA 21 4.598 -0.394 8.255 118 HB1 ALA 21 HB1 ALA 21 3.371 -2.191 9.426 119 HB2 ALA 21 HB2 ALA 21 4.734 -2.851 8.523 120 HB3 ALA 21 HB3 ALA 21 3.094 -3.022 7.893 121 HA PRO 22 HA PRO 22 6.517 -1.048 4.109 122 HB2 PRO 22 HB3 PRO 22 8.038 -3.171 5.670 123 HB3 PRO 22 HB2 PRO 22 8.654 -1.999 4.481 124 HG2 PRO 22 HG3 PRO 22 8.982 -1.560 7.076 125 HG3 PRO 22 HG2 PRO 22 8.571 -0.217 5.979 126 HD2 PRO 22 HD3 PRO 22 6.843 -1.593 7.984 127 HD3 PRO 22 HD2 PRO 22 6.764 0.069 7.393 128 H SER 23 H SER 23 5.360 -3.859 6.006 129 HA SER 23 HA SER 23 5.226 -5.779 3.964 130 HB2 SER 23 HB3 SER 23 3.307 -5.424 6.304 131 HB3 SER 23 HB2 SER 23 3.530 -6.900 5.364 132 HG SER 23 HG SER 23 5.790 -6.764 6.045 133 H ILE 24 H ILE 24 2.932 -3.222 4.860 134 HA ILE 24 HA ILE 24 0.815 -4.012 3.088 135 HB ILE 24 HB ILE 24 1.330 -1.338 4.485 136 HG12 ILE 24 HG13 ILE 24 1.042 -3.078 6.173 137 HG13 ILE 24 HG12 ILE 24 -0.417 -2.084 6.127 138 HG21 ILE 24 HG21 ILE 24 -0.181 -1.035 2.597 139 HG22 ILE 24 HG22 ILE 24 -1.054 -0.847 4.111 140 HG23 ILE 24 HG23 ILE 24 -1.223 -2.335 3.180 141 HD11 ILE 24 HD11 ILE 24 -0.097 -4.829 4.902 142 HD12 ILE 24 HD12 ILE 24 -1.556 -3.835 4.841 143 HD13 ILE 24 HD13 ILE 24 -0.957 -4.429 6.388 144 H CYS 25 H CYS 25 3.253 -1.418 3.101 145 HA CYS 25 HA CYS 25 2.487 -0.149 0.696 146 HB2 CYS 25 HB3 CYS 25 5.250 -0.064 1.927 147 HB3 CYS 25 HB2 CYS 25 4.435 1.201 1.022 148 H ALA 26 H ALA 26 4.793 -2.729 1.412 149 HA ALA 26 HA ALA 26 6.067 -3.017 -1.071 150 HB1 ALA 26 HB1 ALA 26 5.331 -5.214 0.900 151 HB2 ALA 26 HB2 ALA 26 6.792 -4.226 0.946 152 HB3 ALA 26 HB3 ALA 26 6.527 -5.345 -0.392 153 H GLY 27 H GLY 27 2.815 -3.824 -0.068 154 HA2 GLY 27 HA3 GLY 27 2.299 -5.730 -2.236 155 HA3 GLY 27 HA2 GLY 27 1.185 -5.230 -0.972 156 H TRP 28 H TRP 28 1.929 -2.344 -1.590 157 HA TRP 28 HA TRP 28 -0.129 -1.969 -3.639 158 HB2 TRP 28 HB3 TRP 28 1.114 -0.029 -1.660 159 HB3 TRP 28 HB2 TRP 28 -0.132 0.412 -2.824 160 HD1 TRP 28 HD1 TRP 28 -0.062 -0.061 0.633 161 HE1 TRP 28 HE1 TRP 28 -2.233 -1.050 1.606 162 HE3 TRP 28 HE3 TRP 28 -2.087 -2.021 -3.654 163 HZ2 TRP 28 HZ2 TRP 28 -4.447 -2.519 0.708 164 HZ3 TRP 28 HZ3 TRP 28 -4.224 -3.225 -3.499 165 HH2 TRP 28 HH2 TRP 28 -5.382 -3.468 -1.362 166 H CYS 29 H CYS 29 3.273 -1.120 -3.045 167 HA CYS 29 HA CYS 29 3.581 0.404 -5.447 168 HB2 CYS 29 HB3 CYS 29 5.529 -0.779 -3.471 169 HB3 CYS 29 HB2 CYS 29 6.118 -0.060 -4.965 170 H GLY 30 H GLY 30 5.181 -2.739 -4.695 171 HA2 GLY 30 HA3 GLY 30 5.224 -3.391 -7.577 172 HA3 GLY 30 HA2 GLY 30 6.185 -4.146 -6.317 173 H GLY 31 H GLY 31 4.477 -4.972 -4.492 174 HA2 GLY 31 HA3 GLY 31 2.395 -6.230 -4.211 175 HA3 GLY 31 HA2 GLY 31 2.606 -6.852 -5.846 176 H SER 32 H SER 32 4.110 -6.747 -2.634 177 HA SER 32 HA SER 32 5.391 -8.136 -1.421 178 HB2 SER 32 HB3 SER 32 3.644 -9.839 -1.782 179 HB3 SER 32 HB2 SER 32 4.362 -10.294 -3.325 180 HG SER 32 HG SER 32 6.190 -11.021 -2.195 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 -5.544 -2.489 9.647 2 H2 SER 1 HT2 SER 1 -6.468 -3.787 9.080 3 H3 SER 1 HT3 SER 1 -6.987 -2.199 8.818 4 HA SER 1 HA SER 1 -4.534 -3.401 7.693 5 HB2 SER 1 HB3 SER 1 -5.808 -3.267 5.513 6 HB3 SER 1 HB2 SER 1 -6.529 -4.388 6.668 7 HG SER 1 HG SER 1 -7.699 -2.360 5.472 8 H CYS 2 H CYS 2 -4.137 -1.913 5.540 9 HA CYS 2 HA CYS 2 -3.691 0.823 6.414 10 HB2 CYS 2 HB3 CYS 2 -2.164 -0.526 4.865 11 HB3 CYS 2 HB2 CYS 2 -3.325 -0.280 3.599 12 H GLY 3 H GLY 3 -4.322 2.570 4.650 13 HA2 GLY 3 HA3 GLY 3 -7.178 2.723 4.462 14 HA3 GLY 3 HA2 GLY 3 -6.008 3.844 3.780 15 H SER 4 H SER 4 -4.590 1.614 2.387 16 HA SER 4 HA SER 4 -4.493 0.540 0.414 17 HB2 SER 4 HB3 SER 4 -7.518 0.261 0.628 18 HB3 SER 4 HB2 SER 4 -6.448 -0.707 -0.391 19 HG SER 4 HG SER 4 -6.870 -0.808 2.359 20 H GLU 5 H GLU 5 -5.569 3.514 0.749 21 HA GLU 5 HA GLU 5 -6.318 4.029 -2.070 22 HB2 GLU 5 HB3 GLU 5 -7.822 4.863 -0.212 23 HB3 GLU 5 HB2 GLU 5 -6.497 5.875 0.353 24 HG2 GLU 5 HG3 GLU 5 -6.521 7.106 -1.799 25 HG3 GLU 5 HG2 GLU 5 -7.858 6.104 -2.360 26 H CYS 6 H CYS 6 -3.810 4.286 0.263 27 HA CYS 6 HA CYS 6 -2.109 6.000 -1.372 28 HB2 CYS 6 HB3 CYS 6 -1.842 4.704 1.356 29 HB3 CYS 6 HB2 CYS 6 -0.498 5.452 0.536 30 H ALA 7 H ALA 7 -2.970 3.703 -2.634 31 HA ALA 7 HA ALA 7 -0.482 2.142 -2.984 32 HB1 ALA 7 HB1 ALA 7 -2.439 0.862 -2.253 33 HB2 ALA 7 HB2 ALA 7 -1.893 0.364 -3.854 34 HB3 ALA 7 HB3 ALA 7 -3.325 1.389 -3.686 35 HA PRO 8 HA PRO 8 -2.317 3.908 -7.362 36 HB2 PRO 8 HB3 PRO 8 -0.944 6.572 -6.947 37 HB3 PRO 8 HB2 PRO 8 -2.495 6.211 -7.719 38 HG2 PRO 8 HG3 PRO 8 -2.439 7.318 -5.320 39 HG3 PRO 8 HG2 PRO 8 -3.624 6.036 -5.673 40 HD2 PRO 8 HD3 PRO 8 -1.003 5.807 -4.186 41 HD3 PRO 8 HD2 PRO 8 -2.594 5.138 -3.773 42 H GLU 9 H GLU 9 0.675 5.235 -5.984 43 HA GLU 9 HA GLU 9 2.097 4.914 -8.463 44 HB2 GLU 9 HB3 GLU 9 2.930 6.040 -5.750 45 HB3 GLU 9 HB2 GLU 9 3.896 6.103 -7.209 46 HG2 GLU 9 HG3 GLU 9 1.246 7.484 -6.739 47 HG3 GLU 9 HG2 GLU 9 2.829 8.255 -6.829 48 HA PRO 10 HA PRO 10 4.593 1.291 -7.052 49 HB2 PRO 10 HB3 PRO 10 6.938 1.839 -8.400 50 HB3 PRO 10 HB2 PRO 10 5.507 1.165 -9.209 51 HG2 PRO 10 HG3 PRO 10 6.387 4.046 -9.046 52 HG3 PRO 10 HG2 PRO 10 5.875 3.114 -10.480 53 HD2 PRO 10 HD3 PRO 10 4.167 4.770 -9.254 54 HD3 PRO 10 HD2 PRO 10 3.600 3.208 -9.890 55 H ASP 11 H ASP 11 5.339 4.630 -6.643 56 HA ASP 11 HA ASP 11 7.010 4.116 -4.266 57 HB2 ASP 11 HB3 ASP 11 8.033 5.601 -5.962 58 HB3 ASP 11 HB2 ASP 11 6.628 6.652 -5.932 59 H CYS 12 H CYS 12 4.596 3.341 -3.863 60 HA CYS 12 HA CYS 12 2.639 5.161 -2.876 61 HB2 CYS 12 HB3 CYS 12 1.657 3.221 -1.866 62 HB3 CYS 12 HB2 CYS 12 2.219 2.753 -3.459 63 H TRP 13 H TRP 13 5.640 4.107 -1.624 64 HA TRP 13 HA TRP 13 5.545 3.975 1.072 65 HB2 TRP 13 HB3 TRP 13 7.647 5.411 -0.580 66 HB3 TRP 13 HB2 TRP 13 7.872 4.744 0.986 67 HD1 TRP 13 HD1 TRP 13 8.229 3.877 -2.571 68 HE1 TRP 13 HE1 TRP 13 8.775 1.374 -2.854 69 HE3 TRP 13 HE3 TRP 13 7.256 2.361 2.138 70 HZ2 TRP 13 HZ2 TRP 13 8.798 -0.961 -1.235 71 HZ3 TRP 13 HZ3 TRP 13 7.548 -0.031 2.748 72 HH2 TRP 13 HH2 TRP 13 8.307 -1.659 1.079 73 H GLY 14 H GLY 14 5.346 6.840 -0.916 74 HA2 GLY 14 HA3 GLY 14 5.670 8.725 1.330 75 HA3 GLY 14 HA2 GLY 14 5.578 9.134 -0.380 76 H CYS 15 H CYS 15 3.306 7.046 1.281 77 HA CYS 15 HA CYS 15 1.257 9.076 1.649 78 HB2 CYS 15 HB3 CYS 15 1.193 8.149 -0.801 79 HB3 CYS 15 HB2 CYS 15 0.629 6.664 -0.096 80 H CYS 16 H CYS 16 2.170 5.711 1.541 81 HA CYS 16 HA CYS 16 0.078 4.718 3.268 82 HB2 CYS 16 HB3 CYS 16 0.695 3.428 1.384 83 HB3 CYS 16 HB2 CYS 16 2.392 3.524 1.729 84 H LEU 17 H LEU 17 3.617 5.216 3.512 85 HA LEU 17 HA LEU 17 4.012 3.676 5.866 86 HB2 LEU 17 HB3 LEU 17 5.670 5.929 4.676 87 HB3 LEU 17 HB2 LEU 17 6.193 5.025 6.088 88 HG LEU 17 HG LEU 17 5.742 3.872 3.312 89 HD11 LEU 17 HD11 LEU 17 7.756 5.262 3.458 90 HD12 LEU 17 HD12 LEU 17 8.171 3.559 3.278 91 HD13 LEU 17 HD13 LEU 17 8.311 4.336 4.858 92 HD21 LEU 17 HD21 LEU 17 5.175 2.210 5.037 93 HD22 LEU 17 HD22 LEU 17 6.728 2.475 5.833 94 HD23 LEU 17 HD23 LEU 17 6.670 1.775 4.213 95 H VAL 18 H VAL 18 2.628 6.830 5.647 96 HA VAL 18 HA VAL 18 3.586 7.972 8.088 97 HB VAL 18 HB VAL 18 2.675 9.361 6.255 98 HG11 VAL 18 HG11 VAL 18 0.272 9.516 5.791 99 HG12 VAL 18 HG12 VAL 18 -0.051 8.229 6.955 100 HG13 VAL 18 HG13 VAL 18 0.872 7.883 5.493 101 HG21 VAL 18 HG21 VAL 18 1.060 9.715 8.815 102 HG22 VAL 18 HG22 VAL 18 1.327 10.954 7.581 103 HG23 VAL 18 HG23 VAL 18 2.688 10.340 8.522 104 H GLN 19 H GLN 19 1.339 5.492 7.504 105 HA GLN 19 HA GLN 19 0.072 5.649 10.153 106 HB2 GLN 19 HB3 GLN 19 -2.184 5.370 9.008 107 HB3 GLN 19 HB2 GLN 19 -1.433 6.931 8.746 108 HG2 GLN 19 HG3 GLN 19 -0.535 5.890 6.570 109 HG3 GLN 19 HG2 GLN 19 -1.722 4.628 6.820 110 HE21 GLN 19 HE21 GLN 19 -1.393 6.727 4.723 111 HE22 GLN 19 HE22 GLN 19 -2.927 7.532 4.662 112 H CYS 20 H CYS 20 0.745 3.884 7.194 113 HA CYS 20 HA CYS 20 0.163 1.265 8.422 114 HB2 CYS 20 HB3 CYS 20 0.815 1.712 5.490 115 HB3 CYS 20 HB2 CYS 20 -0.112 0.435 6.213 116 H ALA 21 H ALA 21 1.772 -0.441 8.020 117 HA ALA 21 HA ALA 21 4.473 0.487 8.608 118 HB1 ALA 21 HB1 ALA 21 4.919 -1.899 9.094 119 HB2 ALA 21 HB2 ALA 21 3.323 -2.327 8.471 120 HB3 ALA 21 HB3 ALA 21 3.468 -1.340 9.927 121 HA PRO 22 HA PRO 22 6.506 -0.542 4.537 122 HB2 PRO 22 HB3 PRO 22 8.310 -2.192 6.345 123 HB3 PRO 22 HB2 PRO 22 8.750 -1.092 5.016 124 HG2 PRO 22 HG3 PRO 22 9.024 -0.313 7.543 125 HG3 PRO 22 HG2 PRO 22 8.442 0.820 6.300 126 HD2 PRO 22 HD3 PRO 22 6.888 -0.543 8.464 127 HD3 PRO 22 HD2 PRO 22 6.632 1.045 7.734 128 H SER 23 H SER 23 5.840 -3.013 6.997 129 HA SER 23 HA SER 23 5.775 -5.359 5.499 130 HB2 SER 23 HB3 SER 23 5.661 -5.295 7.955 131 HB3 SER 23 HB2 SER 23 4.082 -4.514 7.891 132 HG SER 23 HG SER 23 4.467 -7.011 6.649 133 H ILE 24 H ILE 24 3.510 -2.699 5.465 134 HA ILE 24 HA ILE 24 1.452 -4.225 4.008 135 HB ILE 24 HB ILE 24 1.304 -1.342 5.000 136 HG12 ILE 24 HG13 ILE 24 1.590 -2.842 6.947 137 HG13 ILE 24 HG12 ILE 24 -0.031 -2.147 6.901 138 HG21 ILE 24 HG21 ILE 24 -1.141 -1.688 4.734 139 HG22 ILE 24 HG22 ILE 24 -0.833 -3.282 4.053 140 HG23 ILE 24 HG23 ILE 24 -0.269 -1.838 3.210 141 HD11 ILE 24 HD11 ILE 24 -0.899 -4.289 6.035 142 HD12 ILE 24 HD12 ILE 24 -0.083 -4.483 7.585 143 HD13 ILE 24 HD13 ILE 24 0.730 -4.968 6.099 144 H CYS 25 H CYS 25 3.371 -1.222 3.794 145 HA CYS 25 HA CYS 25 2.377 -0.326 1.309 146 HB2 CYS 25 HB3 CYS 25 5.032 0.438 2.581 147 HB3 CYS 25 HB2 CYS 25 4.068 1.401 1.462 148 H ALA 26 H ALA 26 4.945 -2.562 2.088 149 HA ALA 26 HA ALA 26 6.376 -2.663 -0.325 150 HB1 ALA 26 HB1 ALA 26 5.733 -4.936 1.597 151 HB2 ALA 26 HB2 ALA 26 7.097 -3.824 1.726 152 HB3 ALA 26 HB3 ALA 26 7.007 -4.948 0.371 153 H GLY 27 H GLY 27 3.242 -4.015 0.566 154 HA2 GLY 27 HA3 GLY 27 2.994 -5.729 -1.778 155 HA3 GLY 27 HA2 GLY 27 1.804 -5.486 -0.507 156 H TRP 28 H TRP 28 2.193 -2.462 -0.927 157 HA TRP 28 HA TRP 28 0.177 -2.151 -3.034 158 HB2 TRP 28 HB3 TRP 28 1.369 -0.133 -1.083 159 HB3 TRP 28 HB2 TRP 28 0.076 0.223 -2.226 160 HD1 TRP 28 HD1 TRP 28 0.393 -0.394 1.276 161 HE1 TRP 28 HE1 TRP 28 -1.755 -1.352 2.301 162 HE3 TRP 28 HE3 TRP 28 -1.963 -1.973 -2.989 163 HZ2 TRP 28 HZ2 TRP 28 -4.088 -2.638 1.461 164 HZ3 TRP 28 HZ3 TRP 28 -4.151 -3.078 -2.783 165 HH2 TRP 28 HH2 TRP 28 -5.194 -3.403 -0.597 166 H CYS 29 H CYS 29 3.481 -1.166 -2.310 167 HA CYS 29 HA CYS 29 3.867 0.460 -4.635 168 HB2 CYS 29 HB3 CYS 29 5.633 -0.592 -2.437 169 HB3 CYS 29 HB2 CYS 29 6.383 0.137 -3.858 170 H GLY 30 H GLY 30 5.252 -2.711 -3.662 171 HA2 GLY 30 HA3 GLY 30 5.823 -3.311 -6.518 172 HA3 GLY 30 HA2 GLY 30 6.956 -3.660 -5.222 173 H GLY 31 H GLY 31 3.440 -4.141 -5.318 174 HA2 GLY 31 HA3 GLY 31 3.755 -7.083 -5.380 175 HA3 GLY 31 HA2 GLY 31 2.972 -6.354 -3.982 176 H SER 32 H SER 32 1.827 -8.221 -5.788 177 HA SER 32 HA SER 32 -0.089 -6.764 -7.430 178 HB2 SER 32 HB3 SER 32 0.237 -9.753 -6.927 179 HB3 SER 32 HB2 SER 32 -0.834 -9.025 -8.132 180 HG SER 32 HG SER 32 1.394 -7.960 -8.725 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 -5.907 -3.256 9.553 2 H2 SER 1 HT2 SER 1 -4.438 -2.423 9.530 3 H3 SER 1 HT3 SER 1 -4.455 -4.090 9.796 4 HA SER 1 HA SER 1 -3.742 -3.560 7.564 5 HB2 SER 1 HB3 SER 1 -4.926 -5.697 7.984 6 HB3 SER 1 HB2 SER 1 -6.480 -4.906 7.716 7 HG SER 1 HG SER 1 -6.187 -5.105 5.639 8 H CYS 2 H CYS 2 -4.103 -2.515 5.582 9 HA CYS 2 HA CYS 2 -5.932 -0.272 5.509 10 HB2 CYS 2 HB3 CYS 2 -4.068 -1.416 3.394 11 HB3 CYS 2 HB2 CYS 2 -4.994 0.031 3.212 12 H GLY 3 H GLY 3 -7.036 -0.079 3.153 13 HA2 GLY 3 HA3 GLY 3 -8.925 -2.322 2.887 14 HA3 GLY 3 HA2 GLY 3 -9.106 -0.687 2.261 15 H SER 4 H SER 4 -6.824 -0.275 0.886 16 HA SER 4 HA SER 4 -6.095 -1.373 -1.323 17 HB2 SER 4 HB3 SER 4 -7.952 -1.541 -3.016 18 HB3 SER 4 HB2 SER 4 -8.141 -2.705 -1.709 19 HG SER 4 HG SER 4 -9.429 -0.177 -1.753 20 H GLU 5 H GLU 5 -7.419 1.122 0.294 21 HA GLU 5 HA GLU 5 -7.843 3.078 -1.771 22 HB2 GLU 5 HB3 GLU 5 -8.269 4.611 0.018 23 HB3 GLU 5 HB2 GLU 5 -8.961 3.064 0.483 24 HG2 GLU 5 HG3 GLU 5 -6.304 4.122 1.513 25 HG3 GLU 5 HG2 GLU 5 -7.841 4.331 2.347 26 H CYS 6 H CYS 6 -5.146 2.003 0.160 27 HA CYS 6 HA CYS 6 -3.338 4.021 -0.979 28 HB2 CYS 6 HB3 CYS 6 -3.067 2.028 1.299 29 HB3 CYS 6 HB2 CYS 6 -1.739 2.981 0.675 30 H ALA 7 H ALA 7 -4.366 2.439 -2.799 31 HA ALA 7 HA ALA 7 -1.953 1.071 -3.801 32 HB1 ALA 7 HB1 ALA 7 -3.683 -0.573 -3.217 33 HB2 ALA 7 HB2 ALA 7 -3.369 -0.543 -4.951 34 HB3 ALA 7 HB3 ALA 7 -4.816 0.234 -4.302 35 HA PRO 8 HA PRO 8 -4.135 4.002 -7.212 36 HB2 PRO 8 HB3 PRO 8 -2.693 6.380 -6.042 37 HB3 PRO 8 HB2 PRO 8 -4.297 6.293 -6.781 38 HG2 PRO 8 HG3 PRO 8 -4.060 6.575 -4.155 39 HG3 PRO 8 HG2 PRO 8 -5.298 5.476 -4.818 40 HD2 PRO 8 HD3 PRO 8 -2.572 4.761 -3.693 41 HD3 PRO 8 HD2 PRO 8 -4.158 4.024 -3.386 42 H GLU 9 H GLU 9 -1.115 4.736 -5.556 43 HA GLU 9 HA GLU 9 0.323 5.240 -7.975 44 HB2 GLU 9 HB3 GLU 9 1.215 5.238 -5.058 45 HB3 GLU 9 HB2 GLU 9 2.126 5.879 -6.412 46 HG2 GLU 9 HG3 GLU 9 -0.481 6.950 -5.310 47 HG3 GLU 9 HG2 GLU 9 1.106 7.695 -5.152 48 HA PRO 10 HA PRO 10 2.693 1.262 -7.828 49 HB2 PRO 10 HB3 PRO 10 5.080 2.113 -8.875 50 HB3 PRO 10 HB2 PRO 10 3.639 1.905 -9.897 51 HG2 PRO 10 HG3 PRO 10 4.684 4.445 -8.626 52 HG3 PRO 10 HG2 PRO 10 4.224 4.146 -10.331 53 HD2 PRO 10 HD3 PRO 10 2.498 5.320 -8.658 54 HD3 PRO 10 HD2 PRO 10 1.928 4.136 -9.861 55 H ASP 11 H ASP 11 3.625 4.299 -6.450 56 HA ASP 11 HA ASP 11 5.480 3.119 -4.482 57 HB2 ASP 11 HB3 ASP 11 4.990 6.039 -5.260 58 HB3 ASP 11 HB2 ASP 11 6.223 5.456 -4.158 59 H CYS 12 H CYS 12 2.958 2.413 -4.066 60 HA CYS 12 HA CYS 12 1.176 4.047 -2.628 61 HB2 CYS 12 HB3 CYS 12 0.125 2.001 -1.982 62 HB3 CYS 12 HB2 CYS 12 0.655 1.808 -3.636 63 H TRP 13 H TRP 13 4.159 2.723 -1.581 64 HA TRP 13 HA TRP 13 3.982 1.992 1.008 65 HB2 TRP 13 HB3 TRP 13 6.185 3.757 -0.107 66 HB3 TRP 13 HB2 TRP 13 6.294 2.678 1.203 67 HD1 TRP 13 HD1 TRP 13 6.464 2.720 -2.552 68 HE1 TRP 13 HE1 TRP 13 7.242 0.406 -3.394 69 HE3 TRP 13 HE3 TRP 13 6.213 0.211 1.802 70 HZ2 TRP 13 HZ2 TRP 13 7.705 -2.177 -2.295 71 HZ3 TRP 13 HZ3 TRP 13 6.826 -2.175 1.901 72 HH2 TRP 13 HH2 TRP 13 7.557 -3.356 -0.128 73 H GLY 14 H GLY 14 3.965 5.254 -0.264 74 HA2 GLY 14 HA3 GLY 14 4.474 6.659 2.207 75 HA3 GLY 14 HA2 GLY 14 3.932 7.368 0.694 76 H CYS 15 H CYS 15 1.635 5.466 0.634 77 HA CYS 15 HA CYS 15 -0.299 7.085 2.110 78 HB2 CYS 15 HB3 CYS 15 -0.616 6.287 -0.283 79 HB3 CYS 15 HB2 CYS 15 -0.779 4.666 0.320 80 H CYS 16 H CYS 16 0.856 3.807 1.886 81 HA CYS 16 HA CYS 16 -1.105 2.638 3.619 82 HB2 CYS 16 HB3 CYS 16 -0.476 1.297 1.855 83 HB3 CYS 16 HB2 CYS 16 1.215 1.707 1.980 84 H LEU 17 H LEU 17 2.457 3.018 3.888 85 HA LEU 17 HA LEU 17 2.715 1.812 6.408 86 HB2 LEU 17 HB3 LEU 17 4.504 3.631 4.832 87 HB3 LEU 17 HB2 LEU 17 4.970 3.174 6.460 88 HG LEU 17 HG LEU 17 4.228 0.770 5.000 89 HD11 LEU 17 HD11 LEU 17 4.781 1.954 2.982 90 HD12 LEU 17 HD12 LEU 17 5.972 0.700 3.313 91 HD13 LEU 17 HD13 LEU 17 6.356 2.395 3.637 92 HD21 LEU 17 HD21 LEU 17 6.449 0.007 5.541 93 HD22 LEU 17 HD22 LEU 17 5.687 0.759 6.945 94 HD23 LEU 17 HD23 LEU 17 6.921 1.642 6.037 95 H VAL 18 H VAL 18 1.268 4.854 5.950 96 HA VAL 18 HA VAL 18 2.267 6.068 8.406 97 HB VAL 18 HB VAL 18 1.475 7.514 6.554 98 HG11 VAL 18 HG11 VAL 18 -0.914 7.752 6.019 99 HG12 VAL 18 HG12 VAL 18 -1.309 6.446 7.141 100 HG13 VAL 18 HG13 VAL 18 -0.351 6.112 5.699 101 HG21 VAL 18 HG21 VAL 18 -0.225 7.844 9.063 102 HG22 VAL 18 HG22 VAL 18 0.130 9.112 7.883 103 HG23 VAL 18 HG23 VAL 18 1.434 8.425 8.851 104 H GLN 19 H GLN 19 -0.100 3.756 7.600 105 HA GLN 19 HA GLN 19 -1.493 3.924 10.213 106 HB2 GLN 19 HB3 GLN 19 -3.616 3.514 8.934 107 HB3 GLN 19 HB2 GLN 19 -2.876 5.047 8.545 108 HG2 GLN 19 HG3 GLN 19 -1.861 3.907 6.536 109 HG3 GLN 19 HG2 GLN 19 -2.880 2.522 6.871 110 HE21 GLN 19 HE21 GLN 19 -2.702 4.411 4.600 111 HE22 GLN 19 HE22 GLN 19 -4.328 4.971 4.355 112 H CYS 20 H CYS 20 -0.121 1.995 7.682 113 HA CYS 20 HA CYS 20 -1.034 -0.554 8.874 114 HB2 CYS 20 HB3 CYS 20 -0.633 0.067 5.919 115 HB3 CYS 20 HB2 CYS 20 -1.033 -1.511 6.567 116 H ALA 21 H ALA 21 0.414 -2.389 7.986 117 HA ALA 21 HA ALA 21 3.199 -1.818 8.597 118 HB1 ALA 21 HB1 ALA 21 3.437 -4.284 8.568 119 HB2 ALA 21 HB2 ALA 21 1.780 -4.439 7.978 120 HB3 ALA 21 HB3 ALA 21 2.081 -3.786 9.587 121 HA PRO 22 HA PRO 22 4.753 -1.945 4.298 122 HB2 PRO 22 HB3 PRO 22 7.091 -3.458 4.677 123 HB3 PRO 22 HB2 PRO 22 6.952 -1.716 4.998 124 HG2 PRO 22 HG3 PRO 22 6.785 -4.002 6.929 125 HG3 PRO 22 HG2 PRO 22 7.597 -2.428 7.105 126 HD2 PRO 22 HD3 PRO 22 5.222 -2.902 8.267 127 HD3 PRO 22 HD2 PRO 22 5.609 -1.306 7.597 128 H SER 23 H SER 23 3.988 -4.806 6.111 129 HA SER 23 HA SER 23 4.069 -6.770 4.102 130 HB2 SER 23 HB3 SER 23 3.641 -7.232 6.517 131 HB3 SER 23 HB2 SER 23 2.049 -6.485 6.370 132 HG SER 23 HG SER 23 2.926 -8.729 4.851 133 H ILE 24 H ILE 24 1.551 -4.407 4.970 134 HA ILE 24 HA ILE 24 -0.376 -5.189 3.003 135 HB ILE 24 HB ILE 24 -0.050 -2.549 4.517 136 HG12 ILE 24 HG13 ILE 24 -0.548 -4.294 6.138 137 HG13 ILE 24 HG12 ILE 24 -2.021 -3.341 5.888 138 HG21 ILE 24 HG21 ILE 24 -1.333 -2.161 2.497 139 HG22 ILE 24 HG22 ILE 24 -2.389 -2.058 3.903 140 HG23 ILE 24 HG23 ILE 24 -2.417 -3.498 2.884 141 HD11 ILE 24 HD11 ILE 24 -2.889 -5.122 4.422 142 HD12 ILE 24 HD12 ILE 24 -2.551 -5.681 6.058 143 HD13 ILE 24 HD13 ILE 24 -1.442 -6.082 4.749 144 H CYS 25 H CYS 25 2.003 -2.596 3.299 145 HA CYS 25 HA CYS 25 1.460 -1.154 0.970 146 HB2 CYS 25 HB3 CYS 25 4.156 -1.381 2.320 147 HB3 CYS 25 HB2 CYS 25 3.509 0.008 1.473 148 H ALA 26 H ALA 26 3.652 -3.871 1.554 149 HA ALA 26 HA ALA 26 4.981 -3.926 -0.941 150 HB1 ALA 26 HB1 ALA 26 4.384 -6.256 0.919 151 HB2 ALA 26 HB2 ALA 26 5.790 -5.192 1.007 152 HB3 ALA 26 HB3 ALA 26 5.569 -6.258 -0.385 153 H GLY 27 H GLY 27 1.881 -5.203 0.144 154 HA2 GLY 27 HA3 GLY 27 1.433 -7.035 -2.005 155 HA3 GLY 27 HA2 GLY 27 0.251 -6.475 -0.835 156 H TRP 28 H TRP 28 0.624 -3.648 -1.476 157 HA TRP 28 HA TRP 28 -1.136 -3.565 -3.819 158 HB2 TRP 28 HB3 TRP 28 -0.425 -1.399 -1.803 159 HB3 TRP 28 HB2 TRP 28 -1.626 -1.242 -3.083 160 HD1 TRP 28 HD1 TRP 28 -1.476 -1.969 0.470 161 HE1 TRP 28 HE1 TRP 28 -3.589 -3.152 1.300 162 HE3 TRP 28 HE3 TRP 28 -3.458 -3.398 -4.040 163 HZ2 TRP 28 HZ2 TRP 28 -5.772 -4.510 0.241 164 HZ3 TRP 28 HZ3 TRP 28 -5.577 -4.662 -4.033 165 HH2 TRP 28 HH2 TRP 28 -6.710 -5.206 -1.930 166 H CYS 29 H CYS 29 1.988 -2.245 -2.728 167 HA CYS 29 HA CYS 29 2.469 -0.611 -5.010 168 HB2 CYS 29 HB3 CYS 29 4.206 -1.699 -2.818 169 HB3 CYS 29 HB2 CYS 29 4.949 -0.864 -4.184 170 H GLY 30 H GLY 30 3.799 -3.822 -4.116 171 HA2 GLY 30 HA3 GLY 30 4.438 -4.324 -6.971 172 HA3 GLY 30 HA2 GLY 30 5.660 -4.518 -5.728 173 H GLY 31 H GLY 31 5.183 -6.054 -3.970 174 HA2 GLY 31 HA3 GLY 31 4.562 -8.146 -3.207 175 HA3 GLY 31 HA2 GLY 31 3.377 -8.256 -4.497 176 H SER 32 H SER 32 6.487 -7.401 -5.531 177 HA SER 32 HA SER 32 6.770 -10.020 -6.866 178 HB2 SER 32 HB3 SER 32 7.905 -8.600 -8.645 179 HB3 SER 32 HB2 SER 32 6.190 -8.263 -8.392 180 HG SER 32 HG SER 32 8.320 -6.767 -7.239 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 -7.373 -1.525 9.947 2 H2 SER 1 HT2 SER 1 -8.437 -2.759 10.408 3 H3 SER 1 HT3 SER 1 -9.035 -1.294 9.816 4 HA SER 1 HA SER 1 -7.407 -3.210 8.268 5 HB2 SER 1 HB3 SER 1 -10.395 -2.613 8.100 6 HB3 SER 1 HB2 SER 1 -9.511 -3.760 7.089 7 HG SER 1 HG SER 1 -9.156 -5.039 8.858 8 H CYS 2 H CYS 2 -6.776 -2.496 6.264 9 HA CYS 2 HA CYS 2 -7.361 0.307 5.531 10 HB2 CYS 2 HB3 CYS 2 -5.279 -1.226 4.032 11 HB3 CYS 2 HB2 CYS 2 -5.250 0.423 4.615 12 H GLY 3 H GLY 3 -8.808 0.598 3.973 13 HA2 GLY 3 HA3 GLY 3 -10.378 -1.393 2.831 14 HA3 GLY 3 HA2 GLY 3 -10.342 0.302 2.364 15 H SER 4 H SER 4 -7.769 0.461 1.451 16 HA SER 4 HA SER 4 -6.672 -0.206 -0.664 17 HB2 SER 4 HB3 SER 4 -8.075 -0.398 -2.717 18 HB3 SER 4 HB2 SER 4 -8.474 -1.671 -1.569 19 HG SER 4 HG SER 4 -10.408 -0.845 -1.289 20 H GLU 5 H GLU 5 -8.228 1.979 0.985 21 HA GLU 5 HA GLU 5 -8.809 4.127 -0.827 22 HB2 GLU 5 HB3 GLU 5 -8.340 4.058 2.185 23 HB3 GLU 5 HB2 GLU 5 -8.987 5.446 1.307 24 HG2 GLU 5 HG3 GLU 5 -11.004 4.254 0.748 25 HG3 GLU 5 HG2 GLU 5 -10.336 2.725 1.318 26 H CYS 6 H CYS 6 -6.028 3.046 0.996 27 HA CYS 6 HA CYS 6 -4.340 5.109 -0.234 28 HB2 CYS 6 HB3 CYS 6 -3.888 3.201 2.067 29 HB3 CYS 6 HB2 CYS 6 -2.562 3.960 1.230 30 H ALA 7 H ALA 7 -5.352 3.651 -2.090 31 HA ALA 7 HA ALA 7 -2.871 2.599 -3.245 32 HB1 ALA 7 HB1 ALA 7 -4.289 0.666 -2.681 33 HB2 ALA 7 HB2 ALA 7 -4.079 0.823 -4.425 34 HB3 ALA 7 HB3 ALA 7 -5.590 1.333 -3.666 35 HA PRO 8 HA PRO 8 -5.309 5.686 -6.283 36 HB2 PRO 8 HB3 PRO 8 -3.470 7.765 -5.064 37 HB3 PRO 8 HB2 PRO 8 -5.112 7.947 -5.697 38 HG2 PRO 8 HG3 PRO 8 -4.707 7.968 -3.094 39 HG3 PRO 8 HG2 PRO 8 -6.100 7.079 -3.760 40 HD2 PRO 8 HD3 PRO 8 -3.443 5.974 -2.821 41 HD3 PRO 8 HD2 PRO 8 -5.084 5.367 -2.517 42 H GLU 9 H GLU 9 -2.055 5.888 -4.927 43 HA GLU 9 HA GLU 9 -0.826 6.565 -7.437 44 HB2 GLU 9 HB3 GLU 9 0.333 6.083 -4.653 45 HB3 GLU 9 HB2 GLU 9 1.201 6.763 -6.015 46 HG2 GLU 9 HG3 GLU 9 -1.155 8.009 -4.586 47 HG3 GLU 9 HG2 GLU 9 0.531 8.496 -4.431 48 HA PRO 10 HA PRO 10 1.160 2.412 -8.117 49 HB2 PRO 10 HB3 PRO 10 3.672 3.307 -8.950 50 HB3 PRO 10 HB2 PRO 10 2.265 3.199 -10.029 51 HG2 PRO 10 HG3 PRO 10 3.322 5.597 -8.552 52 HG3 PRO 10 HG2 PRO 10 2.778 5.474 -10.242 53 HD2 PRO 10 HD3 PRO 10 1.174 6.525 -8.378 54 HD3 PRO 10 HD2 PRO 10 0.499 5.480 -9.654 55 H ASP 11 H ASP 11 2.740 5.094 -6.432 56 HA ASP 11 HA ASP 11 3.966 3.318 -4.447 57 HB2 ASP 11 HB3 ASP 11 5.286 5.236 -5.362 58 HB3 ASP 11 HB2 ASP 11 4.090 6.354 -4.727 59 H CYS 12 H CYS 12 1.772 2.603 -3.817 60 HA CYS 12 HA CYS 12 0.030 4.280 -2.284 61 HB2 CYS 12 HB3 CYS 12 -0.963 2.268 -1.511 62 HB3 CYS 12 HB2 CYS 12 -0.590 2.002 -3.209 63 H TRP 13 H TRP 13 3.086 2.834 -1.712 64 HA TRP 13 HA TRP 13 3.315 2.322 0.932 65 HB2 TRP 13 HB3 TRP 13 5.383 3.772 -0.735 66 HB3 TRP 13 HB2 TRP 13 5.671 2.800 0.639 67 HD1 TRP 13 HD1 TRP 13 5.516 2.599 -3.048 68 HE1 TRP 13 HE1 TRP 13 5.792 0.160 -3.838 69 HE3 TRP 13 HE3 TRP 13 5.001 0.307 1.416 70 HZ2 TRP 13 HZ2 TRP 13 5.795 -2.422 -2.678 71 HZ3 TRP 13 HZ3 TRP 13 5.148 -2.172 1.541 72 HH2 TRP 13 HH2 TRP 13 5.539 -3.501 -0.478 73 H GLY 14 H GLY 14 3.191 5.414 -0.657 74 HA2 GLY 14 HA3 GLY 14 3.820 6.961 1.777 75 HA3 GLY 14 HA2 GLY 14 3.688 7.594 0.140 76 H CYS 15 H CYS 15 1.513 5.619 2.086 77 HA CYS 15 HA CYS 15 -0.439 7.643 2.659 78 HB2 CYS 15 HB3 CYS 15 -0.824 6.971 0.199 79 HB3 CYS 15 HB2 CYS 15 -1.273 5.395 0.776 80 H CYS 16 H CYS 16 0.335 4.275 2.202 81 HA CYS 16 HA CYS 16 -1.692 3.251 3.984 82 HB2 CYS 16 HB3 CYS 16 -1.298 2.077 1.984 83 HB3 CYS 16 HB2 CYS 16 0.425 2.078 2.179 84 H LEU 17 H LEU 17 1.916 3.433 4.052 85 HA LEU 17 HA LEU 17 2.087 1.898 6.498 86 HB2 LEU 17 HB3 LEU 17 4.212 3.498 5.042 87 HB3 LEU 17 HB2 LEU 17 4.521 2.633 6.540 88 HG LEU 17 HG LEU 17 3.404 0.606 5.136 89 HD11 LEU 17 HD11 LEU 17 3.021 1.905 3.129 90 HD12 LEU 17 HD12 LEU 17 4.150 0.585 2.845 91 HD13 LEU 17 HD13 LEU 17 4.753 2.239 2.990 92 HD21 LEU 17 HD21 LEU 17 5.638 -0.215 4.614 93 HD22 LEU 17 HD22 LEU 17 5.523 0.437 6.249 94 HD23 LEU 17 HD23 LEU 17 6.318 1.379 4.978 95 H VAL 18 H VAL 18 1.034 5.063 6.243 96 HA VAL 18 HA VAL 18 2.135 5.960 8.803 97 HB VAL 18 HB VAL 18 1.524 7.626 7.050 98 HG11 VAL 18 HG11 VAL 18 -0.811 8.189 6.569 99 HG12 VAL 18 HG12 VAL 18 -1.364 6.861 7.594 100 HG13 VAL 18 HG13 VAL 18 -0.462 6.520 6.118 101 HG21 VAL 18 HG21 VAL 18 -0.095 7.946 9.606 102 HG22 VAL 18 HG22 VAL 18 0.379 9.252 8.513 103 HG23 VAL 18 HG23 VAL 18 1.615 8.358 9.404 104 H GLN 19 H GLN 19 -0.316 3.864 7.783 105 HA GLN 19 HA GLN 19 -1.815 3.975 10.322 106 HB2 GLN 19 HB3 GLN 19 -3.925 4.043 9.078 107 HB3 GLN 19 HB2 GLN 19 -2.945 5.424 8.635 108 HG2 GLN 19 HG3 GLN 19 -2.224 4.133 6.612 109 HG3 GLN 19 HG2 GLN 19 -3.397 2.897 7.030 110 HE21 GLN 19 HE21 GLN 19 -2.906 6.061 5.740 111 HE22 GLN 19 HE22 GLN 19 -4.527 6.328 5.203 112 H CYS 20 H CYS 20 -0.186 2.095 8.069 113 HA CYS 20 HA CYS 20 -1.458 -0.409 8.905 114 HB2 CYS 20 HB3 CYS 20 -0.958 0.243 5.969 115 HB3 CYS 20 HB2 CYS 20 -1.654 -1.224 6.609 116 H ALA 21 H ALA 21 -0.169 -2.284 8.020 117 HA ALA 21 HA ALA 21 2.697 -1.894 8.385 118 HB1 ALA 21 HB1 ALA 21 2.755 -4.373 8.442 119 HB2 ALA 21 HB2 ALA 21 1.040 -4.429 8.024 120 HB3 ALA 21 HB3 ALA 21 1.547 -3.745 9.569 121 HA PRO 22 HA PRO 22 3.788 -2.197 3.944 122 HB2 PRO 22 HB3 PRO 22 6.015 -3.896 4.136 123 HB3 PRO 22 HB2 PRO 22 6.057 -2.143 4.402 124 HG2 PRO 22 HG3 PRO 22 5.855 -4.348 6.432 125 HG3 PRO 22 HG2 PRO 22 6.850 -2.873 6.466 126 HD2 PRO 22 HD3 PRO 22 4.586 -2.977 7.884 127 HD3 PRO 22 HD2 PRO 22 5.014 -1.486 7.024 128 H SER 23 H SER 23 3.156 -5.003 5.917 129 HA SER 23 HA SER 23 2.912 -7.018 3.986 130 HB2 SER 23 HB3 SER 23 2.871 -7.409 6.435 131 HB3 SER 23 HB2 SER 23 1.320 -6.584 6.552 132 HG SER 23 HG SER 23 1.551 -8.762 4.802 133 H ILE 24 H ILE 24 0.656 -4.484 5.037 134 HA ILE 24 HA ILE 24 -1.572 -5.351 3.413 135 HB ILE 24 HB ILE 24 -1.121 -2.643 4.761 136 HG12 ILE 24 HG13 ILE 24 -1.057 -4.364 6.487 137 HG13 ILE 24 HG12 ILE 24 -2.576 -3.470 6.600 138 HG21 ILE 24 HG21 ILE 24 -2.853 -2.551 3.036 139 HG22 ILE 24 HG22 ILE 24 -3.579 -2.412 4.632 140 HG23 ILE 24 HG23 ILE 24 -3.681 -3.936 3.753 141 HD11 ILE 24 HD11 ILE 24 -3.738 -5.349 5.507 142 HD12 ILE 24 HD12 ILE 24 -2.917 -5.844 6.986 143 HD13 ILE 24 HD13 ILE 24 -2.213 -6.237 5.419 144 H CYS 25 H CYS 25 0.863 -2.777 3.349 145 HA CYS 25 HA CYS 25 -0.113 -1.315 1.146 146 HB2 CYS 25 HB3 CYS 25 2.742 -1.386 2.161 147 HB3 CYS 25 HB2 CYS 25 1.925 -0.037 1.387 148 H ALA 26 H ALA 26 2.147 -4.024 1.363 149 HA ALA 26 HA ALA 26 3.220 -3.973 -1.253 150 HB1 ALA 26 HB1 ALA 26 2.734 -6.385 0.533 151 HB2 ALA 26 HB2 ALA 26 4.163 -5.350 0.559 152 HB3 ALA 26 HB3 ALA 26 3.814 -6.330 -0.866 153 H GLY 27 H GLY 27 0.092 -4.963 -0.049 154 HA2 GLY 27 HA3 GLY 27 -0.577 -6.667 -2.320 155 HA3 GLY 27 HA2 GLY 27 -1.600 -6.267 -0.946 156 H TRP 28 H TRP 28 -1.064 -3.360 -1.287 157 HA TRP 28 HA TRP 28 -3.168 -2.844 -3.274 158 HB2 TRP 28 HB3 TRP 28 -1.962 -1.057 -1.120 159 HB3 TRP 28 HB2 TRP 28 -3.285 -0.590 -2.184 160 HD1 TRP 28 HD1 TRP 28 -2.928 -1.487 1.201 161 HE1 TRP 28 HE1 TRP 28 -5.018 -2.639 2.180 162 HE3 TRP 28 HE3 TRP 28 -5.206 -2.935 -3.157 163 HZ2 TRP 28 HZ2 TRP 28 -7.269 -4.027 1.252 164 HZ3 TRP 28 HZ3 TRP 28 -7.313 -4.204 -3.016 165 HH2 TRP 28 HH2 TRP 28 -8.323 -4.741 -0.853 166 H CYS 29 H CYS 29 0.221 -2.027 -2.637 167 HA CYS 29 HA CYS 29 0.559 -0.289 -4.905 168 HB2 CYS 29 HB3 CYS 29 2.427 -1.694 -3.009 169 HB3 CYS 29 HB2 CYS 29 3.083 -0.977 -4.477 170 H GLY 30 H GLY 30 2.033 -3.472 -4.302 171 HA2 GLY 30 HA3 GLY 30 1.556 -4.941 -6.440 172 HA3 GLY 30 HA2 GLY 30 2.641 -3.748 -7.130 173 H GLY 31 H GLY 31 4.592 -3.304 -5.620 174 HA2 GLY 31 HA3 GLY 31 5.670 -5.145 -3.846 175 HA3 GLY 31 HA2 GLY 31 6.141 -5.698 -5.454 176 H SER 32 H SER 32 8.311 -5.317 -5.128 177 HA SER 32 HA SER 32 9.383 -2.856 -4.123 178 HB2 SER 32 HB3 SER 32 11.590 -3.979 -4.749 179 HB3 SER 32 HB2 SER 32 10.569 -4.894 -3.639 180 HG SER 32 HG SER 32 10.754 -5.296 -6.455 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 -6.627 -3.417 9.075 2 H2 SER 1 HT2 SER 1 -5.110 -4.152 9.165 3 H3 SER 1 HT3 SER 1 -6.482 -5.078 8.835 4 HA SER 1 HA SER 1 -5.169 -4.693 6.849 5 HB2 SER 1 HB3 SER 1 -7.070 -3.849 5.434 6 HB3 SER 1 HB2 SER 1 -7.591 -5.052 6.614 7 HG SER 1 HG SER 1 -8.231 -2.369 6.424 8 H CYS 2 H CYS 2 -4.464 -3.170 5.221 9 HA CYS 2 HA CYS 2 -3.699 -0.523 6.141 10 HB2 CYS 2 HB3 CYS 2 -2.320 -1.941 4.572 11 HB3 CYS 2 HB2 CYS 2 -3.530 -1.721 3.339 12 H GLY 3 H GLY 3 -4.180 1.300 4.335 13 HA2 GLY 3 HA3 GLY 3 -7.050 1.660 4.177 14 HA3 GLY 3 HA2 GLY 3 -5.811 2.761 3.594 15 H SER 4 H SER 4 -4.619 0.273 2.167 16 HA SER 4 HA SER 4 -4.487 -0.620 0.119 17 HB2 SER 4 HB3 SER 4 -6.515 -1.568 -0.945 18 HB3 SER 4 HB2 SER 4 -6.438 -1.941 0.773 19 HG SER 4 HG SER 4 -7.874 0.334 0.010 20 H GLU 5 H GLU 5 -5.134 2.425 0.514 21 HA GLU 5 HA GLU 5 -5.452 3.063 -2.368 22 HB2 GLU 5 HB3 GLU 5 -7.306 3.855 -0.724 23 HB3 GLU 5 HB2 GLU 5 -6.104 4.971 -0.087 24 HG2 GLU 5 HG3 GLU 5 -5.897 6.048 -2.285 25 HG3 GLU 5 HG2 GLU 5 -7.038 4.897 -2.980 26 H CYS 6 H CYS 6 -3.195 2.673 -0.053 27 HA CYS 6 HA CYS 6 -1.392 4.725 -1.128 28 HB2 CYS 6 HB3 CYS 6 -1.261 2.963 1.341 29 HB3 CYS 6 HB2 CYS 6 0.070 3.929 0.763 30 H ALA 7 H ALA 7 -2.329 2.391 -2.548 31 HA ALA 7 HA ALA 7 0.146 0.988 -3.213 32 HB1 ALA 7 HB1 ALA 7 -1.976 -0.242 -3.106 33 HB2 ALA 7 HB2 ALA 7 -1.267 -0.312 -4.722 34 HB3 ALA 7 HB3 ALA 7 -2.628 0.769 -4.399 35 HA PRO 8 HA PRO 8 -1.314 3.556 -7.293 36 HB2 PRO 8 HB3 PRO 8 -0.900 6.375 -6.319 37 HB3 PRO 8 HB2 PRO 8 -2.227 5.693 -7.269 38 HG2 PRO 8 HG3 PRO 8 -2.607 6.338 -4.725 39 HG3 PRO 8 HG2 PRO 8 -3.325 4.847 -5.376 40 HD2 PRO 8 HD3 PRO 8 -0.773 5.144 -3.769 41 HD3 PRO 8 HD2 PRO 8 -2.140 4.031 -3.518 42 H GLU 9 H GLU 9 0.998 5.383 -5.290 43 HA GLU 9 HA GLU 9 2.558 6.272 -7.463 44 HB2 GLU 9 HB3 GLU 9 3.117 6.251 -4.457 45 HB3 GLU 9 HB2 GLU 9 4.027 7.163 -5.645 46 HG2 GLU 9 HG3 GLU 9 1.111 7.572 -4.939 47 HG3 GLU 9 HG2 GLU 9 2.453 8.595 -4.430 48 HA PRO 10 HA PRO 10 5.894 3.051 -7.318 49 HB2 PRO 10 HB3 PRO 10 8.055 4.631 -7.993 50 HB3 PRO 10 HB2 PRO 10 6.885 4.038 -9.191 51 HG2 PRO 10 HG3 PRO 10 6.986 6.724 -7.840 52 HG3 PRO 10 HG2 PRO 10 6.741 6.344 -9.560 53 HD2 PRO 10 HD3 PRO 10 4.666 6.948 -7.962 54 HD3 PRO 10 HD2 PRO 10 4.511 5.730 -9.253 55 H ASP 11 H ASP 11 5.970 6.151 -5.677 56 HA ASP 11 HA ASP 11 7.686 5.180 -3.479 57 HB2 ASP 11 HB3 ASP 11 8.160 7.411 -4.546 58 HB3 ASP 11 HB2 ASP 11 6.567 7.967 -4.065 59 H CYS 12 H CYS 12 5.026 4.103 -3.943 60 HA CYS 12 HA CYS 12 2.975 5.123 -2.310 61 HB2 CYS 12 HB3 CYS 12 2.213 2.665 -2.385 62 HB3 CYS 12 HB2 CYS 12 2.340 3.533 -3.914 63 H TRP 13 H TRP 13 5.854 3.320 -1.450 64 HA TRP 13 HA TRP 13 5.251 2.173 0.989 65 HB2 TRP 13 HB3 TRP 13 7.800 3.588 0.112 66 HB3 TRP 13 HB2 TRP 13 7.669 2.549 1.464 67 HD1 TRP 13 HD1 TRP 13 7.908 2.441 -2.302 68 HE1 TRP 13 HE1 TRP 13 8.458 0.026 -3.038 69 HE3 TRP 13 HE3 TRP 13 7.363 0.153 2.164 70 HZ2 TRP 13 HZ2 TRP 13 8.627 -2.541 -1.832 71 HZ3 TRP 13 HZ3 TRP 13 7.723 -2.297 2.344 72 HH2 TRP 13 HH2 TRP 13 8.346 -3.614 0.372 73 H GLY 14 H GLY 14 5.892 5.508 0.137 74 HA2 GLY 14 HA3 GLY 14 6.338 6.578 2.763 75 HA3 GLY 14 HA2 GLY 14 5.983 7.499 1.308 76 H CYS 15 H CYS 15 3.529 5.846 0.940 77 HA CYS 15 HA CYS 15 1.663 7.527 2.442 78 HB2 CYS 15 HB3 CYS 15 1.490 7.104 -0.054 79 HB3 CYS 15 HB2 CYS 15 1.110 5.440 0.287 80 H CYS 16 H CYS 16 2.517 4.183 1.928 81 HA CYS 16 HA CYS 16 0.306 2.999 3.291 82 HB2 CYS 16 HB3 CYS 16 1.391 1.900 1.428 83 HB3 CYS 16 HB2 CYS 16 2.926 1.882 2.251 84 H LEU 17 H LEU 17 3.780 3.315 4.121 85 HA LEU 17 HA LEU 17 3.499 1.909 6.598 86 HB2 LEU 17 HB3 LEU 17 5.769 3.451 5.328 87 HB3 LEU 17 HB2 LEU 17 5.912 2.803 6.956 88 HG LEU 17 HG LEU 17 5.050 0.559 5.651 89 HD11 LEU 17 HD11 LEU 17 5.032 1.591 3.459 90 HD12 LEU 17 HD12 LEU 17 6.226 0.299 3.547 91 HD13 LEU 17 HD13 LEU 17 6.749 1.985 3.604 92 HD21 LEU 17 HD21 LEU 17 6.948 0.637 7.146 93 HD22 LEU 17 HD22 LEU 17 7.941 1.402 5.894 94 HD23 LEU 17 HD23 LEU 17 7.335 -0.245 5.668 95 H VAL 18 H VAL 18 2.252 4.900 6.155 96 HA VAL 18 HA VAL 18 3.028 5.910 8.828 97 HB VAL 18 HB VAL 18 2.699 7.566 6.965 98 HG11 VAL 18 HG11 VAL 18 0.465 8.160 6.169 99 HG12 VAL 18 HG12 VAL 18 -0.248 6.860 7.127 100 HG13 VAL 18 HG13 VAL 18 0.836 6.479 5.791 101 HG21 VAL 18 HG21 VAL 18 0.771 7.940 9.292 102 HG22 VAL 18 HG22 VAL 18 1.418 9.229 8.266 103 HG23 VAL 18 HG23 VAL 18 2.502 8.306 9.308 104 H GLN 19 H GLN 19 0.922 3.669 7.531 105 HA GLN 19 HA GLN 19 -0.960 3.658 9.758 106 HB2 GLN 19 HB3 GLN 19 -2.917 3.935 8.229 107 HB3 GLN 19 HB2 GLN 19 -1.911 5.362 8.283 108 HG2 GLN 19 HG3 GLN 19 -0.838 4.579 6.168 109 HG3 GLN 19 HG2 GLN 19 -2.017 3.286 6.082 110 HE21 GLN 19 HE21 GLN 19 -1.433 5.587 4.305 111 HE22 GLN 19 HE22 GLN 19 -2.957 6.389 4.096 112 H CYS 20 H CYS 20 0.928 1.948 7.654 113 HA CYS 20 HA CYS 20 -0.480 -0.561 8.153 114 HB2 CYS 20 HB3 CYS 20 0.592 -0.256 5.347 115 HB3 CYS 20 HB2 CYS 20 -0.734 -1.202 5.939 116 H ALA 21 H ALA 21 0.946 -2.418 7.894 117 HA ALA 21 HA ALA 21 3.641 -1.900 8.775 118 HB1 ALA 21 HB1 ALA 21 2.289 -3.731 9.734 119 HB2 ALA 21 HB2 ALA 21 3.773 -4.352 9.011 120 HB3 ALA 21 HB3 ALA 21 2.236 -4.526 8.158 121 HA PRO 22 HA PRO 22 5.850 -2.213 4.786 122 HB2 PRO 22 HB3 PRO 22 8.066 -3.743 5.641 123 HB3 PRO 22 HB2 PRO 22 7.930 -1.980 5.756 124 HG2 PRO 22 HG3 PRO 22 7.395 -4.048 7.857 125 HG3 PRO 22 HG2 PRO 22 8.198 -2.468 8.005 126 HD2 PRO 22 HD3 PRO 22 5.671 -2.762 8.826 127 HD3 PRO 22 HD2 PRO 22 6.161 -1.277 7.990 128 H SER 23 H SER 23 5.057 -5.126 6.619 129 HA SER 23 HA SER 23 5.482 -7.048 4.580 130 HB2 SER 23 HB3 SER 23 3.456 -7.047 6.862 131 HB3 SER 23 HB2 SER 23 3.933 -8.466 5.921 132 HG SER 23 HG SER 23 6.036 -8.222 6.729 133 H ILE 24 H ILE 24 2.758 -4.908 5.353 134 HA ILE 24 HA ILE 24 0.921 -5.990 3.408 135 HB ILE 24 HB ILE 24 0.783 -3.230 4.709 136 HG12 ILE 24 HG13 ILE 24 1.045 -4.910 6.505 137 HG13 ILE 24 HG12 ILE 24 -0.561 -4.182 6.517 138 HG21 ILE 24 HG21 ILE 24 -0.777 -3.556 2.863 139 HG22 ILE 24 HG22 ILE 24 -1.656 -3.501 4.390 140 HG23 ILE 24 HG23 ILE 24 -1.376 -5.049 3.591 141 HD11 ILE 24 HD11 ILE 24 -0.641 -6.579 6.991 142 HD12 ILE 24 HD12 ILE 24 0.142 -6.936 5.453 143 HD13 ILE 24 HD13 ILE 24 -1.475 -6.226 5.478 144 H CYS 25 H CYS 25 3.085 -3.193 3.667 145 HA CYS 25 HA CYS 25 2.423 -1.897 1.232 146 HB2 CYS 25 HB3 CYS 25 4.998 -1.716 2.840 147 HB3 CYS 25 HB2 CYS 25 4.356 -0.496 1.749 148 H ALA 26 H ALA 26 4.746 -4.415 2.082 149 HA ALA 26 HA ALA 26 6.127 -4.640 -0.389 150 HB1 ALA 26 HB1 ALA 26 5.513 -6.812 1.653 151 HB2 ALA 26 HB2 ALA 26 6.913 -5.736 1.674 152 HB3 ALA 26 HB3 ALA 26 6.727 -6.910 0.372 153 H GLY 27 H GLY 27 2.945 -5.690 0.636 154 HA2 GLY 27 HA3 GLY 27 2.447 -7.550 -1.521 155 HA3 GLY 27 HA2 GLY 27 1.271 -6.911 -0.382 156 H TRP 28 H TRP 28 1.770 -4.124 -0.891 157 HA TRP 28 HA TRP 28 0.187 -3.774 -3.307 158 HB2 TRP 28 HB3 TRP 28 1.253 -1.669 -1.368 159 HB3 TRP 28 HB2 TRP 28 0.064 -1.387 -2.636 160 HD1 TRP 28 HD1 TRP 28 0.204 -1.962 0.957 161 HE1 TRP 28 HE1 TRP 28 -2.049 -2.767 1.886 162 HE3 TRP 28 HE3 TRP 28 -2.111 -3.224 -3.430 163 HZ2 TRP 28 HZ2 TRP 28 -4.465 -3.820 0.915 164 HZ3 TRP 28 HZ3 TRP 28 -4.391 -4.145 -3.343 165 HH2 TRP 28 HH2 TRP 28 -5.548 -4.434 -1.208 166 H CYS 29 H CYS 29 3.133 -2.105 -2.146 167 HA CYS 29 HA CYS 29 3.858 -1.002 -4.642 168 HB2 CYS 29 HB3 CYS 29 5.513 -1.434 -2.127 169 HB3 CYS 29 HB2 CYS 29 5.981 -0.398 -3.475 170 H GLY 30 H GLY 30 5.219 -3.756 -2.814 171 HA2 GLY 30 HA3 GLY 30 7.146 -4.434 -4.860 172 HA3 GLY 30 HA2 GLY 30 6.820 -5.317 -3.375 173 H GLY 31 H GLY 31 3.835 -5.133 -4.367 174 HA2 GLY 31 HA3 GLY 31 3.791 -7.702 -5.755 175 HA3 GLY 31 HA2 GLY 31 2.417 -6.817 -5.115 176 H SER 32 H SER 32 1.402 -7.423 -7.149 177 HA SER 32 HA SER 32 2.416 -6.267 -9.626 178 HB2 SER 32 HB3 SER 32 0.375 -7.500 -10.595 179 HB3 SER 32 HB2 SER 32 1.613 -8.499 -9.841 180 HG SER 32 HG SER 32 -0.699 -7.611 -8.458 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -8.891 -4.458 4.786 2 H2 SER 1 HT2 SER 1 -8.052 -4.395 6.251 3 H3 SER 1 HT3 SER 1 -8.119 -5.841 5.378 4 HA SER 1 HA SER 1 -5.982 -4.758 5.164 5 HB2 SER 1 HB3 SER 1 -6.881 -6.194 3.322 6 HB3 SER 1 HB2 SER 1 -7.602 -4.773 2.571 7 HG SER 1 HG SER 1 -5.566 -5.382 1.667 8 H CYS 2 H CYS 2 -5.675 -2.795 6.127 9 HA CYS 2 HA CYS 2 -5.518 -0.577 6.522 10 HB2 CYS 2 HB3 CYS 2 -4.603 -0.877 3.969 11 HB3 CYS 2 HB2 CYS 2 -5.915 0.192 3.655 12 H GLY 3 H GLY 3 -6.839 1.639 5.156 13 HA2 GLY 3 HA3 GLY 3 -9.670 1.232 5.782 14 HA3 GLY 3 HA2 GLY 3 -8.902 2.719 5.250 15 H SER 4 H SER 4 -7.739 0.514 3.134 16 HA SER 4 HA SER 4 -7.955 0.156 0.935 17 HB2 SER 4 HB3 SER 4 -10.974 0.338 1.422 18 HB3 SER 4 HB2 SER 4 -10.203 -0.331 -0.020 19 HG SER 4 HG SER 4 -10.693 -2.027 1.304 20 H GLU 5 H GLU 5 -7.855 2.824 2.204 21 HA GLU 5 HA GLU 5 -9.174 4.624 0.264 22 HB2 GLU 5 HB3 GLU 5 -9.487 4.749 2.899 23 HB3 GLU 5 HB2 GLU 5 -7.896 5.486 2.891 24 HG2 GLU 5 HG3 GLU 5 -10.342 6.568 1.454 25 HG3 GLU 5 HG2 GLU 5 -9.747 7.130 3.011 26 H CYS 6 H CYS 6 -6.115 3.788 1.835 27 HA CYS 6 HA CYS 6 -4.516 5.523 0.157 28 HB2 CYS 6 HB3 CYS 6 -3.882 3.622 2.427 29 HB3 CYS 6 HB2 CYS 6 -2.645 4.369 1.448 30 H ALA 7 H ALA 7 -6.016 3.614 -1.287 31 HA ALA 7 HA ALA 7 -3.764 2.359 -2.752 32 HB1 ALA 7 HB1 ALA 7 -5.420 0.762 -1.874 33 HB2 ALA 7 HB2 ALA 7 -5.354 0.752 -3.637 34 HB3 ALA 7 HB3 ALA 7 -6.684 1.566 -2.803 35 HA PRO 8 HA PRO 8 -5.954 5.498 -5.857 36 HB2 PRO 8 HB3 PRO 8 -3.824 7.483 -5.060 37 HB3 PRO 8 HB2 PRO 8 -5.522 7.763 -5.471 38 HG2 PRO 8 HG3 PRO 8 -4.687 7.970 -2.952 39 HG3 PRO 8 HG2 PRO 8 -6.268 7.240 -3.322 40 HD2 PRO 8 HD3 PRO 8 -3.662 5.840 -2.675 41 HD3 PRO 8 HD2 PRO 8 -5.302 5.519 -2.072 42 H GLU 9 H GLU 9 -2.552 5.733 -4.823 43 HA GLU 9 HA GLU 9 -1.619 5.793 -7.524 44 HB2 GLU 9 HB3 GLU 9 -0.205 5.961 -4.826 45 HB3 GLU 9 HB2 GLU 9 0.599 6.135 -6.372 46 HG2 GLU 9 HG3 GLU 9 -1.559 7.958 -5.290 47 HG3 GLU 9 HG2 GLU 9 0.169 8.310 -5.328 48 HA PRO 10 HA PRO 10 0.065 1.483 -7.623 49 HB2 PRO 10 HB3 PRO 10 2.336 2.101 -9.166 50 HB3 PRO 10 HB2 PRO 10 0.740 1.730 -9.846 51 HG2 PRO 10 HG3 PRO 10 1.973 4.412 -9.304 52 HG3 PRO 10 HG2 PRO 10 1.060 3.856 -10.728 53 HD2 PRO 10 HD3 PRO 10 -0.129 5.377 -8.888 54 HD3 PRO 10 HD2 PRO 10 -1.011 4.018 -9.630 55 H ASP 11 H ASP 11 1.948 4.405 -6.900 56 HA ASP 11 HA ASP 11 3.641 3.011 -4.939 57 HB2 ASP 11 HB3 ASP 11 4.777 4.597 -6.440 58 HB3 ASP 11 HB2 ASP 11 3.662 5.884 -5.990 59 H CYS 12 H CYS 12 1.580 2.509 -3.874 60 HA CYS 12 HA CYS 12 0.029 4.490 -2.455 61 HB2 CYS 12 HB3 CYS 12 -1.096 2.590 -1.511 62 HB3 CYS 12 HB2 CYS 12 -0.870 2.280 -3.219 63 H TRP 13 H TRP 13 3.003 2.948 -1.827 64 HA TRP 13 HA TRP 13 3.121 2.247 0.788 65 HB2 TRP 13 HB3 TRP 13 5.259 3.624 -0.861 66 HB3 TRP 13 HB2 TRP 13 5.547 2.745 0.581 67 HD1 TRP 13 HD1 TRP 13 5.313 2.262 -3.084 68 HE1 TRP 13 HE1 TRP 13 5.505 -0.245 -3.670 69 HE3 TRP 13 HE3 TRP 13 4.832 0.376 1.565 70 HZ2 TRP 13 HZ2 TRP 13 5.463 -2.723 -2.287 71 HZ3 TRP 13 HZ3 TRP 13 4.912 -2.080 1.909 72 HH2 TRP 13 HH2 TRP 13 5.222 -3.598 0.007 73 H GLY 14 H GLY 14 3.245 5.494 -0.526 74 HA2 GLY 14 HA3 GLY 14 4.372 6.764 1.836 75 HA3 GLY 14 HA2 GLY 14 3.781 7.569 0.390 76 H CYS 15 H CYS 15 1.218 5.929 0.822 77 HA CYS 15 HA CYS 15 -0.155 7.837 2.588 78 HB2 CYS 15 HB3 CYS 15 -0.971 7.194 0.201 79 HB3 CYS 15 HB2 CYS 15 -1.435 5.664 0.884 80 H CYS 16 H CYS 16 0.242 4.405 2.008 81 HA CYS 16 HA CYS 16 -1.662 3.520 3.953 82 HB2 CYS 16 HB3 CYS 16 -1.496 2.330 1.936 83 HB3 CYS 16 HB2 CYS 16 0.236 2.228 2.004 84 H LEU 17 H LEU 17 1.902 3.453 3.768 85 HA LEU 17 HA LEU 17 2.366 1.685 5.901 86 HB2 LEU 17 HB3 LEU 17 4.146 3.857 4.755 87 HB3 LEU 17 HB2 LEU 17 4.707 2.742 5.992 88 HG LEU 17 HG LEU 17 3.804 1.976 3.187 89 HD11 LEU 17 HD11 LEU 17 5.995 3.095 3.228 90 HD12 LEU 17 HD12 LEU 17 6.139 1.395 2.789 91 HD13 LEU 17 HD13 LEU 17 6.573 1.923 4.419 92 HD21 LEU 17 HD21 LEU 17 4.892 0.201 5.396 93 HD22 LEU 17 HD22 LEU 17 4.531 -0.294 3.740 94 HD23 LEU 17 HD23 LEU 17 3.228 0.220 4.805 95 H VAL 18 H VAL 18 1.440 5.048 6.206 96 HA VAL 18 HA VAL 18 2.732 5.460 8.790 97 HB VAL 18 HB VAL 18 2.420 7.389 7.292 98 HG11 VAL 18 HG11 VAL 18 0.218 8.374 6.833 99 HG12 VAL 18 HG12 VAL 18 -0.571 7.044 7.686 100 HG13 VAL 18 HG13 VAL 18 0.325 6.732 6.200 101 HG21 VAL 18 HG21 VAL 18 0.783 7.706 9.844 102 HG22 VAL 18 HG22 VAL 18 1.517 9.019 8.916 103 HG23 VAL 18 HG23 VAL 18 2.543 7.832 9.719 104 H GLN 19 H GLN 19 -0.189 4.071 7.703 105 HA GLN 19 HA GLN 19 -1.441 4.100 10.386 106 HB2 GLN 19 HB3 GLN 19 -3.639 4.558 9.180 107 HB3 GLN 19 HB2 GLN 19 -2.519 5.898 9.209 108 HG2 GLN 19 HG3 GLN 19 -1.796 5.165 6.895 109 HG3 GLN 19 HG2 GLN 19 -3.172 4.078 6.881 110 HE21 GLN 19 HE21 GLN 19 -2.422 6.502 5.287 111 HE22 GLN 19 HE22 GLN 19 -3.831 7.508 5.342 112 H CYS 20 H CYS 20 -0.244 2.248 7.950 113 HA CYS 20 HA CYS 20 -1.651 -0.144 8.825 114 HB2 CYS 20 HB3 CYS 20 -1.442 0.522 5.857 115 HB3 CYS 20 HB2 CYS 20 -2.128 -0.912 6.553 116 H ALA 21 H ALA 21 -0.546 -2.099 7.830 117 HA ALA 21 HA ALA 21 2.316 -1.850 8.262 118 HB1 ALA 21 HB1 ALA 21 1.042 -3.658 9.376 119 HB2 ALA 21 HB2 ALA 21 2.270 -4.326 8.302 120 HB3 ALA 21 HB3 ALA 21 0.576 -4.313 7.803 121 HA PRO 22 HA PRO 22 3.631 -2.309 3.857 122 HB2 PRO 22 HB3 PRO 22 5.701 -4.194 4.327 123 HB3 PRO 22 HB2 PRO 22 5.878 -2.433 4.374 124 HG2 PRO 22 HG3 PRO 22 5.481 -4.338 6.648 125 HG3 PRO 22 HG2 PRO 22 6.517 -2.894 6.548 126 HD2 PRO 22 HD3 PRO 22 4.202 -2.787 7.868 127 HD3 PRO 22 HD2 PRO 22 4.717 -1.419 6.877 128 H SER 23 H SER 23 2.888 -5.029 5.938 129 HA SER 23 HA SER 23 2.497 -7.096 4.119 130 HB2 SER 23 HB3 SER 23 0.844 -6.478 6.605 131 HB3 SER 23 HB2 SER 23 1.010 -8.055 5.827 132 HG SER 23 HG SER 23 2.400 -7.460 7.740 133 H ILE 24 H ILE 24 0.386 -4.357 4.978 134 HA ILE 24 HA ILE 24 -1.846 -5.243 3.342 135 HB ILE 24 HB ILE 24 -1.352 -2.541 4.692 136 HG12 ILE 24 HG13 ILE 24 -1.514 -4.207 6.463 137 HG13 ILE 24 HG12 ILE 24 -3.027 -3.282 6.397 138 HG21 ILE 24 HG21 ILE 24 -2.945 -2.335 2.898 139 HG22 ILE 24 HG22 ILE 24 -3.808 -2.257 4.431 140 HG23 ILE 24 HG23 ILE 24 -3.851 -3.735 3.473 141 HD11 ILE 24 HD11 ILE 24 -4.095 -5.175 5.220 142 HD12 ILE 24 HD12 ILE 24 -3.466 -5.637 6.799 143 HD13 ILE 24 HD13 ILE 24 -2.593 -6.097 5.338 144 H CYS 25 H CYS 25 0.613 -2.676 3.284 145 HA CYS 25 HA CYS 25 -0.363 -1.262 1.056 146 HB2 CYS 25 HB3 CYS 25 2.511 -1.242 2.021 147 HB3 CYS 25 HB2 CYS 25 1.637 0.057 1.220 148 H ALA 26 H ALA 26 1.830 -3.998 1.300 149 HA ALA 26 HA ALA 26 2.946 -4.053 -1.276 150 HB1 ALA 26 HB1 ALA 26 2.162 -6.429 0.459 151 HB2 ALA 26 HB2 ALA 26 3.684 -5.540 0.549 152 HB3 ALA 26 HB3 ALA 26 3.287 -6.461 -0.900 153 H GLY 27 H GLY 27 -0.275 -4.965 -0.176 154 HA2 GLY 27 HA3 GLY 27 -1.014 -6.437 -2.559 155 HA3 GLY 27 HA2 GLY 27 -2.053 -6.003 -1.213 156 H TRP 28 H TRP 28 -1.730 -3.229 -1.198 157 HA TRP 28 HA TRP 28 -3.556 -2.474 -3.293 158 HB2 TRP 28 HB3 TRP 28 -2.179 -0.768 -1.174 159 HB3 TRP 28 HB2 TRP 28 -3.472 -0.210 -2.231 160 HD1 TRP 28 HD1 TRP 28 -3.017 -1.475 1.144 161 HE1 TRP 28 HE1 TRP 28 -5.228 -2.326 2.143 162 HE3 TRP 28 HE3 TRP 28 -5.818 -1.798 -3.131 163 HZ2 TRP 28 HZ2 TRP 28 -7.771 -3.061 1.266 164 HZ3 TRP 28 HZ3 TRP 28 -8.137 -2.606 -2.964 165 HH2 TRP 28 HH2 TRP 28 -9.097 -3.225 -0.801 166 H CYS 29 H CYS 29 -0.113 -1.973 -2.652 167 HA CYS 29 HA CYS 29 0.354 -0.258 -4.922 168 HB2 CYS 29 HB3 CYS 29 2.131 -1.654 -2.924 169 HB3 CYS 29 HB2 CYS 29 2.845 -0.978 -4.385 170 H GLY 30 H GLY 30 1.862 -3.478 -4.251 171 HA2 GLY 30 HA3 GLY 30 1.277 -4.669 -6.723 172 HA3 GLY 30 HA2 GLY 30 2.790 -3.810 -6.876 173 H GLY 31 H GLY 31 3.963 -4.227 -4.459 174 HA2 GLY 31 HA3 GLY 31 4.931 -5.760 -3.015 175 HA3 GLY 31 HA2 GLY 31 4.025 -7.056 -3.781 176 H SER 32 H SER 32 6.851 -5.002 -3.972 177 HA SER 32 HA SER 32 8.375 -7.085 -5.340 178 HB2 SER 32 HB3 SER 32 7.954 -4.298 -6.473 179 HB3 SER 32 HB2 SER 32 9.314 -5.315 -6.955 180 HG SER 32 HG SER 32 7.279 -6.870 -7.193 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 -5.988 -6.403 6.449 2 H2 SER 1 HT2 SER 1 -6.289 -4.972 5.604 3 H3 SER 1 HT3 SER 1 -5.976 -4.923 7.265 4 HA SER 1 HA SER 1 -3.756 -5.681 6.937 5 HB2 SER 1 HB3 SER 1 -2.882 -5.883 4.568 6 HB3 SER 1 HB2 SER 1 -4.095 -7.097 4.977 7 HG SER 1 HG SER 1 -4.378 -6.057 2.896 8 H CYS 2 H CYS 2 -5.191 -3.537 4.467 9 HA CYS 2 HA CYS 2 -3.989 -1.150 5.748 10 HB2 CYS 2 HB3 CYS 2 -2.728 -1.972 3.626 11 HB3 CYS 2 HB2 CYS 2 -4.127 -1.526 2.729 12 H GLY 3 H GLY 3 -5.165 0.707 3.934 13 HA2 GLY 3 HA3 GLY 3 -8.022 0.424 4.430 14 HA3 GLY 3 HA2 GLY 3 -7.192 1.800 3.717 15 H SER 4 H SER 4 -5.892 -0.530 1.954 16 HA SER 4 HA SER 4 -6.033 -1.254 -0.170 17 HB2 SER 4 HB3 SER 4 -9.067 -1.057 0.106 18 HB3 SER 4 HB2 SER 4 -8.196 -1.917 -1.168 19 HG SER 4 HG SER 4 -7.931 -3.537 0.139 20 H GLU 5 H GLU 5 -6.440 1.678 0.793 21 HA GLU 5 HA GLU 5 -7.625 3.007 -1.529 22 HB2 GLU 5 HB3 GLU 5 -8.172 3.827 0.758 23 HB3 GLU 5 HB2 GLU 5 -6.463 4.097 1.082 24 HG2 GLU 5 HG3 GLU 5 -6.517 5.756 -0.889 25 HG3 GLU 5 HG2 GLU 5 -8.273 5.622 -0.804 26 H CYS 6 H CYS 6 -4.590 2.751 0.252 27 HA CYS 6 HA CYS 6 -3.069 4.302 -1.662 28 HB2 CYS 6 HB3 CYS 6 -2.420 3.014 0.999 29 HB3 CYS 6 HB2 CYS 6 -1.263 3.897 0.026 30 H ALA 7 H ALA 7 -4.081 2.051 -2.788 31 HA ALA 7 HA ALA 7 -1.749 0.366 -3.401 32 HB1 ALA 7 HB1 ALA 7 -3.918 -0.714 -2.965 33 HB2 ALA 7 HB2 ALA 7 -3.323 -1.047 -4.591 34 HB3 ALA 7 HB3 ALA 7 -4.611 0.141 -4.344 35 HA PRO 8 HA PRO 8 -3.563 2.443 -7.579 36 HB2 PRO 8 HB3 PRO 8 -2.715 5.280 -7.260 37 HB3 PRO 8 HB2 PRO 8 -4.289 4.629 -7.713 38 HG2 PRO 8 HG3 PRO 8 -3.842 5.813 -5.337 39 HG3 PRO 8 HG2 PRO 8 -5.012 4.477 -5.521 40 HD2 PRO 8 HD3 PRO 8 -2.192 4.379 -4.451 41 HD3 PRO 8 HD2 PRO 8 -3.657 3.576 -3.859 42 H GLU 9 H GLU 9 -0.793 4.070 -6.150 43 HA GLU 9 HA GLU 9 0.458 4.604 -8.647 44 HB2 GLU 9 HB3 GLU 9 1.421 5.019 -5.793 45 HB3 GLU 9 HB2 GLU 9 2.112 5.739 -7.237 46 HG2 GLU 9 HG3 GLU 9 -0.195 6.844 -7.611 47 HG3 GLU 9 HG2 GLU 9 -0.609 6.272 -6.002 48 HA PRO 10 HA PRO 10 3.317 1.135 -8.847 49 HB2 PRO 10 HB3 PRO 10 5.637 2.410 -9.724 50 HB3 PRO 10 HB2 PRO 10 4.288 1.969 -10.793 51 HG2 PRO 10 HG3 PRO 10 4.874 4.620 -9.492 52 HG3 PRO 10 HG2 PRO 10 4.373 4.269 -11.168 53 HD2 PRO 10 HD3 PRO 10 2.584 5.128 -9.383 54 HD3 PRO 10 HD2 PRO 10 2.141 3.881 -10.570 55 H ASP 11 H ASP 11 4.534 4.136 -7.382 56 HA ASP 11 HA ASP 11 5.678 2.631 -5.113 57 HB2 ASP 11 HB3 ASP 11 7.075 4.453 -6.163 58 HB3 ASP 11 HB2 ASP 11 5.850 5.628 -5.710 59 H CYS 12 H CYS 12 3.500 1.998 -4.547 60 HA CYS 12 HA CYS 12 1.576 3.814 -3.429 61 HB2 CYS 12 HB3 CYS 12 0.592 1.844 -2.458 62 HB3 CYS 12 HB2 CYS 12 1.048 1.446 -4.099 63 H TRP 13 H TRP 13 4.618 2.641 -2.315 64 HA TRP 13 HA TRP 13 4.462 2.195 0.362 65 HB2 TRP 13 HB3 TRP 13 6.655 3.664 -1.133 66 HB3 TRP 13 HB2 TRP 13 6.822 2.952 0.415 67 HD1 TRP 13 HD1 TRP 13 7.023 2.104 -3.208 68 HE1 TRP 13 HE1 TRP 13 7.721 -0.368 -3.475 69 HE3 TRP 13 HE3 TRP 13 6.519 0.660 1.595 70 HZ2 TRP 13 HZ2 TRP 13 8.031 -2.646 -1.816 71 HZ3 TRP 13 HZ3 TRP 13 7.017 -1.689 2.222 72 HH2 TRP 13 HH2 TRP 13 7.762 -3.304 0.544 73 H GLY 14 H GLY 14 4.510 5.291 -1.293 74 HA2 GLY 14 HA3 GLY 14 5.264 6.937 0.954 75 HA3 GLY 14 HA2 GLY 14 4.642 7.503 -0.588 76 H CYS 15 H CYS 15 2.259 5.805 -0.323 77 HA CYS 15 HA CYS 15 0.543 7.649 1.182 78 HB2 CYS 15 HB3 CYS 15 0.109 6.739 -1.207 79 HB3 CYS 15 HB2 CYS 15 -0.279 5.224 -0.460 80 H CYS 16 H CYS 16 1.452 4.296 1.013 81 HA CYS 16 HA CYS 16 -0.612 3.250 2.708 82 HB2 CYS 16 HB3 CYS 16 0.075 1.964 0.857 83 HB3 CYS 16 HB2 CYS 16 1.767 2.135 1.235 84 H LEU 17 H LEU 17 2.873 3.768 3.051 85 HA LEU 17 HA LEU 17 3.221 2.297 5.428 86 HB2 LEU 17 HB3 LEU 17 4.901 4.483 4.167 87 HB3 LEU 17 HB2 LEU 17 5.409 3.662 5.638 88 HG LEU 17 HG LEU 17 4.952 2.330 2.935 89 HD11 LEU 17 HD11 LEU 17 6.990 3.695 2.961 90 HD12 LEU 17 HD12 LEU 17 7.374 1.976 2.906 91 HD13 LEU 17 HD13 LEU 17 7.540 2.864 4.422 92 HD21 LEU 17 HD21 LEU 17 5.943 1.113 5.535 93 HD22 LEU 17 HD22 LEU 17 5.858 0.304 3.968 94 HD23 LEU 17 HD23 LEU 17 4.378 0.810 4.773 95 H VAL 18 H VAL 18 1.765 5.429 5.168 96 HA VAL 18 HA VAL 18 2.615 6.349 7.810 97 HB VAL 18 HB VAL 18 2.195 7.996 5.990 98 HG11 VAL 18 HG11 VAL 18 -0.086 8.577 5.265 99 HG12 VAL 18 HG12 VAL 18 -0.747 7.259 6.235 100 HG13 VAL 18 HG13 VAL 18 0.297 6.903 4.860 101 HG21 VAL 18 HG21 VAL 18 0.314 8.362 8.354 102 HG22 VAL 18 HG22 VAL 18 0.933 9.656 7.319 103 HG23 VAL 18 HG23 VAL 18 2.042 8.742 8.342 104 H GLN 19 H GLN 19 0.413 4.092 6.742 105 HA GLN 19 HA GLN 19 -1.288 4.206 9.126 106 HB2 GLN 19 HB3 GLN 19 -3.333 4.177 7.651 107 HB3 GLN 19 HB2 GLN 19 -2.451 5.679 7.600 108 HG2 GLN 19 HG3 GLN 19 -1.383 4.883 5.492 109 HG3 GLN 19 HG2 GLN 19 -2.452 3.492 5.503 110 HE21 GLN 19 HE21 GLN 19 -2.099 5.823 3.661 111 HE22 GLN 19 HE22 GLN 19 -3.693 6.468 3.446 112 H CYS 20 H CYS 20 0.479 2.416 6.933 113 HA CYS 20 HA CYS 20 -0.638 -0.136 7.822 114 HB2 CYS 20 HB3 CYS 20 -0.053 0.280 4.855 115 HB3 CYS 20 HB2 CYS 20 -0.891 -1.030 5.619 116 H ALA 21 H ALA 21 0.894 -1.924 7.254 117 HA ALA 21 HA ALA 21 3.590 -1.149 7.974 118 HB1 ALA 21 HB1 ALA 21 2.460 -3.009 9.125 119 HB2 ALA 21 HB2 ALA 21 3.926 -3.569 8.320 120 HB3 ALA 21 HB3 ALA 21 2.344 -3.898 7.606 121 HA PRO 22 HA PRO 22 5.627 -1.716 3.910 122 HB2 PRO 22 HB3 PRO 22 7.906 -3.148 4.748 123 HB3 PRO 22 HB2 PRO 22 7.737 -1.382 4.808 124 HG2 PRO 22 HG3 PRO 22 7.315 -3.389 6.997 125 HG3 PRO 22 HG2 PRO 22 8.133 -1.808 7.053 126 HD2 PRO 22 HD3 PRO 22 5.656 -2.059 7.992 127 HD3 PRO 22 HD2 PRO 22 6.106 -0.614 7.081 128 H SER 23 H SER 23 4.966 -4.444 6.008 129 HA SER 23 HA SER 23 5.279 -6.543 4.138 130 HB2 SER 23 HB3 SER 23 3.755 -7.802 5.708 131 HB3 SER 23 HB2 SER 23 5.105 -7.015 6.523 132 HG SER 23 HG SER 23 3.028 -6.732 7.548 133 H ILE 24 H ILE 24 2.695 -4.209 4.745 134 HA ILE 24 HA ILE 24 0.740 -5.598 3.103 135 HB ILE 24 HB ILE 24 0.480 -2.734 4.116 136 HG12 ILE 24 HG13 ILE 24 0.986 -4.004 6.137 137 HG13 ILE 24 HG12 ILE 24 -0.740 -3.618 6.098 138 HG21 ILE 24 HG21 ILE 24 -1.156 -3.456 2.475 139 HG22 ILE 24 HG22 ILE 24 -1.925 -3.252 4.045 140 HG23 ILE 24 HG23 ILE 24 -1.563 -4.873 3.445 141 HD11 ILE 24 HD11 ILE 24 -0.375 -5.853 6.926 142 HD12 ILE 24 HD12 ILE 24 0.517 -6.297 5.473 143 HD13 ILE 24 HD13 ILE 24 -1.208 -5.928 5.374 144 H CYS 25 H CYS 25 2.602 -2.585 3.010 145 HA CYS 25 HA CYS 25 1.655 -1.549 0.577 146 HB2 CYS 25 HB3 CYS 25 4.380 -1.022 1.785 147 HB3 CYS 25 HB2 CYS 25 3.439 0.057 0.767 148 H ALA 26 H ALA 26 4.279 -3.796 1.317 149 HA ALA 26 HA ALA 26 5.536 -4.083 -1.145 150 HB1 ALA 26 HB1 ALA 26 4.765 -6.305 0.784 151 HB2 ALA 26 HB2 ALA 26 6.222 -5.314 0.872 152 HB3 ALA 26 HB3 ALA 26 5.991 -6.424 -0.481 153 H GLY 27 H GLY 27 2.456 -5.449 -0.046 154 HA2 GLY 27 HA3 GLY 27 2.011 -7.157 -2.306 155 HA3 GLY 27 HA2 GLY 27 0.868 -6.777 -1.026 156 H TRP 28 H TRP 28 1.011 -3.875 -1.457 157 HA TRP 28 HA TRP 28 -0.943 -3.710 -3.619 158 HB2 TRP 28 HB3 TRP 28 -0.007 -1.629 -1.600 159 HB3 TRP 28 HB2 TRP 28 -1.289 -1.365 -2.778 160 HD1 TRP 28 HD1 TRP 28 -0.897 -2.302 0.714 161 HE1 TRP 28 HE1 TRP 28 -3.026 -3.418 1.631 162 HE3 TRP 28 HE3 TRP 28 -3.290 -3.356 -3.700 163 HZ2 TRP 28 HZ2 TRP 28 -5.352 -4.602 0.656 164 HZ3 TRP 28 HZ3 TRP 28 -5.467 -4.506 -3.618 165 HH2 TRP 28 HH2 TRP 28 -6.483 -5.119 -1.475 166 H CYS 29 H CYS 29 2.363 -2.677 -3.000 167 HA CYS 29 HA CYS 29 2.539 -0.965 -5.323 168 HB2 CYS 29 HB3 CYS 29 4.507 -1.992 -3.304 169 HB3 CYS 29 HB2 CYS 29 5.117 -1.270 -4.790 170 H GLY 30 H GLY 30 4.291 -4.046 -4.568 171 HA2 GLY 30 HA3 GLY 30 4.215 -4.788 -7.419 172 HA3 GLY 30 HA2 GLY 30 5.777 -4.446 -6.704 173 H GLY 31 H GLY 31 5.661 -5.615 -4.265 174 HA2 GLY 31 HA3 GLY 31 5.754 -7.731 -3.227 175 HA3 GLY 31 HA2 GLY 31 5.205 -8.487 -4.721 176 H SER 32 H SER 32 6.704 -8.288 -6.575 177 HA SER 32 HA SER 32 8.610 -8.632 -7.684 178 HB2 SER 32 HB3 SER 32 10.376 -6.914 -7.302 179 HB3 SER 32 HB2 SER 32 8.751 -6.233 -7.329 180 HG SER 32 HG SER 32 9.807 -6.961 -4.849 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 -6.629 -5.621 7.751 2 H2 SER 1 HT2 SER 1 -5.127 -5.105 8.326 3 H3 SER 1 HT3 SER 1 -5.293 -6.658 7.678 4 HA SER 1 HA SER 1 -4.197 -5.191 6.138 5 HB2 SER 1 HB3 SER 1 -5.660 -7.048 5.305 6 HB3 SER 1 HB2 SER 1 -7.020 -5.928 5.235 7 HG SER 1 HG SER 1 -5.374 -6.415 3.316 8 H CYS 2 H CYS 2 -5.060 -3.565 4.240 9 HA CYS 2 HA CYS 2 -6.454 -1.294 5.534 10 HB2 CYS 2 HB3 CYS 2 -4.048 -1.001 3.696 11 HB3 CYS 2 HB2 CYS 2 -4.865 0.269 4.591 12 H GLY 3 H GLY 3 -7.081 0.370 3.743 13 HA2 GLY 3 HA3 GLY 3 -9.142 -1.166 2.378 14 HA3 GLY 3 HA2 GLY 3 -9.102 0.555 2.696 15 H SER 4 H SER 4 -6.294 -0.512 1.104 16 HA SER 4 HA SER 4 -5.336 0.090 -0.804 17 HB2 SER 4 HB3 SER 4 -6.461 -0.381 -2.955 18 HB3 SER 4 HB2 SER 4 -6.665 -1.699 -1.806 19 HG SER 4 HG SER 4 -8.775 -1.031 -1.444 20 H GLU 5 H GLU 5 -6.988 2.098 0.768 21 HA GLU 5 HA GLU 5 -7.764 4.140 -1.128 22 HB2 GLU 5 HB3 GLU 5 -8.868 3.843 1.123 23 HB3 GLU 5 HB2 GLU 5 -7.373 4.371 1.891 24 HG2 GLU 5 HG3 GLU 5 -7.576 6.580 0.833 25 HG3 GLU 5 HG2 GLU 5 -9.032 6.065 -0.019 26 H CYS 6 H CYS 6 -4.980 3.317 0.839 27 HA CYS 6 HA CYS 6 -3.379 5.463 -0.376 28 HB2 CYS 6 HB3 CYS 6 -2.912 3.545 1.907 29 HB3 CYS 6 HB2 CYS 6 -1.574 4.319 1.102 30 H ALA 7 H ALA 7 -4.406 3.681 -2.186 31 HA ALA 7 HA ALA 7 -1.852 2.722 -3.347 32 HB1 ALA 7 HB1 ALA 7 -3.157 1.177 -4.717 33 HB2 ALA 7 HB2 ALA 7 -4.657 1.811 -4.035 34 HB3 ALA 7 HB3 ALA 7 -3.522 0.939 -3.005 35 HA PRO 8 HA PRO 8 -4.007 6.130 -6.379 36 HB2 PRO 8 HB3 PRO 8 -2.277 8.152 -4.931 37 HB3 PRO 8 HB2 PRO 8 -3.873 8.354 -5.671 38 HG2 PRO 8 HG3 PRO 8 -3.626 8.230 -3.035 39 HG3 PRO 8 HG2 PRO 8 -4.990 7.418 -3.844 40 HD2 PRO 8 HD3 PRO 8 -2.445 6.200 -2.760 41 HD3 PRO 8 HD2 PRO 8 -4.115 5.602 -2.677 42 H GLU 9 H GLU 9 -0.801 6.585 -4.881 43 HA GLU 9 HA GLU 9 0.459 7.138 -7.393 44 HB2 GLU 9 HB3 GLU 9 1.467 6.935 -4.524 45 HB3 GLU 9 HB2 GLU 9 2.511 7.313 -5.880 46 HG2 GLU 9 HG3 GLU 9 0.130 8.966 -4.994 47 HG3 GLU 9 HG2 GLU 9 1.818 9.325 -4.627 48 HA PRO 10 HA PRO 10 2.315 3.006 -8.139 49 HB2 PRO 10 HB3 PRO 10 4.826 3.823 -9.057 50 HB3 PRO 10 HB2 PRO 10 3.369 3.788 -10.074 51 HG2 PRO 10 HG3 PRO 10 4.560 6.113 -8.572 52 HG3 PRO 10 HG2 PRO 10 3.967 6.045 -10.255 53 HD2 PRO 10 HD3 PRO 10 2.435 7.107 -8.360 54 HD3 PRO 10 HD2 PRO 10 1.704 6.053 -9.595 55 H ASP 11 H ASP 11 4.174 5.553 -6.482 56 HA ASP 11 HA ASP 11 5.256 3.637 -4.543 57 HB2 ASP 11 HB3 ASP 11 6.714 5.509 -5.382 58 HB3 ASP 11 HB2 ASP 11 5.609 6.675 -4.667 59 H CYS 12 H CYS 12 3.016 3.068 -4.057 60 HA CYS 12 HA CYS 12 1.240 4.712 -2.546 61 HB2 CYS 12 HB3 CYS 12 0.170 2.650 -1.963 62 HB3 CYS 12 HB2 CYS 12 0.637 2.526 -3.645 63 H TRP 13 H TRP 13 4.218 3.115 -1.784 64 HA TRP 13 HA TRP 13 4.260 2.570 0.878 65 HB2 TRP 13 HB3 TRP 13 6.411 3.996 -0.724 66 HB3 TRP 13 HB2 TRP 13 6.657 3.147 0.741 67 HD1 TRP 13 HD1 TRP 13 6.654 2.653 -2.929 68 HE1 TRP 13 HE1 TRP 13 7.102 0.174 -3.495 69 HE3 TRP 13 HE3 TRP 13 6.109 0.711 1.689 70 HZ2 TRP 13 HZ2 TRP 13 7.216 -2.294 -2.118 71 HZ3 TRP 13 HZ3 TRP 13 6.390 -1.732 2.030 72 HH2 TRP 13 HH2 TRP 13 6.934 -3.200 0.155 73 H GLY 14 H GLY 14 4.307 5.684 -0.715 74 HA2 GLY 14 HA3 GLY 14 5.019 7.236 1.673 75 HA3 GLY 14 HA2 GLY 14 4.747 7.858 0.051 76 H CYS 15 H CYS 15 2.372 5.772 1.424 77 HA CYS 15 HA CYS 15 0.660 7.916 2.481 78 HB2 CYS 15 HB3 CYS 15 0.087 7.353 0.033 79 HB3 CYS 15 HB2 CYS 15 -0.364 5.766 0.574 80 H CYS 16 H CYS 16 1.241 4.550 1.871 81 HA CYS 16 HA CYS 16 -0.692 3.485 3.706 82 HB2 CYS 16 HB3 CYS 16 -0.390 2.368 1.664 83 HB3 CYS 16 HB2 CYS 16 1.342 2.397 1.764 84 H LEU 17 H LEU 17 2.878 3.690 3.604 85 HA LEU 17 HA LEU 17 3.389 1.972 5.784 86 HB2 LEU 17 HB3 LEU 17 5.091 4.151 4.558 87 HB3 LEU 17 HB2 LEU 17 5.671 3.161 5.889 88 HG LEU 17 HG LEU 17 4.910 2.158 3.120 89 HD11 LEU 17 HD11 LEU 17 7.045 3.364 3.162 90 HD12 LEU 17 HD12 LEU 17 7.294 1.641 2.885 91 HD13 LEU 17 HD13 LEU 17 7.616 2.330 4.478 92 HD21 LEU 17 HD21 LEU 17 5.958 0.568 5.495 93 HD22 LEU 17 HD22 LEU 17 5.716 -0.048 3.858 94 HD23 LEU 17 HD23 LEU 17 4.331 0.467 4.813 95 H VAL 18 H VAL 18 2.065 5.144 6.040 96 HA VAL 18 HA VAL 18 3.299 5.753 8.625 97 HB VAL 18 HB VAL 18 2.729 7.609 7.073 98 HG11 VAL 18 HG11 VAL 18 0.419 8.313 6.665 99 HG12 VAL 18 HG12 VAL 18 -0.184 6.916 7.561 100 HG13 VAL 18 HG13 VAL 18 0.700 6.682 6.054 101 HG21 VAL 18 HG21 VAL 18 1.687 9.141 8.698 102 HG22 VAL 18 HG22 VAL 18 2.859 8.090 9.494 103 HG23 VAL 18 HG23 VAL 18 1.129 7.765 9.660 104 H GLN 19 H GLN 19 0.690 3.885 7.516 105 HA GLN 19 HA GLN 19 -0.625 3.687 10.138 106 HB2 GLN 19 HB3 GLN 19 -2.847 4.046 8.993 107 HB3 GLN 19 HB2 GLN 19 -1.835 5.469 9.042 108 HG2 GLN 19 HG3 GLN 19 -1.118 4.876 6.691 109 HG3 GLN 19 HG2 GLN 19 -2.394 3.675 6.672 110 HE21 GLN 19 HE21 GLN 19 -1.938 6.135 5.090 111 HE22 GLN 19 HE22 GLN 19 -3.394 7.064 5.250 112 H CYS 20 H CYS 20 0.811 2.105 7.702 113 HA CYS 20 HA CYS 20 -0.455 -0.456 8.305 114 HB2 CYS 20 HB3 CYS 20 0.100 0.402 5.429 115 HB3 CYS 20 HB2 CYS 20 -0.592 -1.113 5.955 116 H ALA 21 H ALA 21 0.976 -2.253 7.275 117 HA ALA 21 HA ALA 21 3.824 -1.643 7.783 118 HB1 ALA 21 HB1 ALA 21 2.804 -3.469 9.093 119 HB2 ALA 21 HB2 ALA 21 4.068 -4.097 8.035 120 HB3 ALA 21 HB3 ALA 21 2.370 -4.317 7.605 121 HA PRO 22 HA PRO 22 5.378 -2.356 3.498 122 HB2 PRO 22 HB3 PRO 22 6.878 -4.634 4.844 123 HB3 PRO 22 HB2 PRO 22 7.466 -3.460 3.641 124 HG2 PRO 22 HG3 PRO 22 8.054 -3.136 6.202 125 HG3 PRO 22 HG2 PRO 22 7.621 -1.731 5.199 126 HD2 PRO 22 HD3 PRO 22 6.002 -3.102 7.298 127 HD3 PRO 22 HD2 PRO 22 5.981 -1.409 6.799 128 H SER 23 H SER 23 4.229 -5.154 5.402 129 HA SER 23 HA SER 23 3.841 -7.048 3.395 130 HB2 SER 23 HB3 SER 23 2.077 -6.554 5.834 131 HB3 SER 23 HB2 SER 23 2.194 -8.066 4.922 132 HG SER 23 HG SER 23 4.512 -7.955 5.489 133 H ILE 24 H ILE 24 1.768 -4.347 4.390 134 HA ILE 24 HA ILE 24 -0.464 -5.033 2.689 135 HB ILE 24 HB ILE 24 0.153 -2.468 4.235 136 HG12 ILE 24 HG13 ILE 24 -0.091 -4.313 5.805 137 HG13 ILE 24 HG12 ILE 24 -1.541 -3.308 5.891 138 HG21 ILE 24 HG21 ILE 24 -1.432 -2.006 2.439 139 HG22 ILE 24 HG22 ILE 24 -2.244 -1.926 4.001 140 HG23 ILE 24 HG23 ILE 24 -2.463 -3.338 2.967 141 HD11 ILE 24 HD11 ILE 24 -2.736 -4.963 4.509 142 HD12 ILE 24 HD12 ILE 24 -2.113 -5.650 6.007 143 HD13 ILE 24 HD13 ILE 24 -1.287 -5.974 4.484 144 H CYS 25 H CYS 25 1.964 -2.424 2.797 145 HA CYS 25 HA CYS 25 1.024 -0.981 0.571 146 HB2 CYS 25 HB3 CYS 25 3.864 -0.879 1.624 147 HB3 CYS 25 HB2 CYS 25 2.929 0.422 0.900 148 H ALA 26 H ALA 26 3.401 -3.593 0.820 149 HA ALA 26 HA ALA 26 4.674 -3.369 -1.672 150 HB1 ALA 26 HB1 ALA 26 4.082 -5.925 -0.139 151 HB2 ALA 26 HB2 ALA 26 5.468 -4.864 0.116 152 HB3 ALA 26 HB3 ALA 26 5.295 -5.729 -1.412 153 H GLY 27 H GLY 27 1.498 -4.591 -0.851 154 HA2 GLY 27 HA3 GLY 27 1.118 -6.145 -3.292 155 HA3 GLY 27 HA2 GLY 27 -0.046 -5.891 -2.001 156 H TRP 28 H TRP 28 0.396 -2.941 -2.120 157 HA TRP 28 HA TRP 28 -1.536 -2.352 -4.248 158 HB2 TRP 28 HB3 TRP 28 -0.467 -0.545 -2.039 159 HB3 TRP 28 HB2 TRP 28 -1.842 -0.204 -3.086 160 HD1 TRP 28 HD1 TRP 28 -1.361 -1.015 0.300 161 HE1 TRP 28 HE1 TRP 28 -3.318 -2.329 1.328 162 HE3 TRP 28 HE3 TRP 28 -3.581 -2.731 -3.996 163 HZ2 TRP 28 HZ2 TRP 28 -5.459 -3.918 0.468 164 HZ3 TRP 28 HZ3 TRP 28 -5.568 -4.170 -3.791 165 HH2 TRP 28 HH2 TRP 28 -6.488 -4.743 -1.603 166 H CYS 29 H CYS 29 1.766 -1.668 -3.337 167 HA CYS 29 HA CYS 29 2.290 0.307 -5.372 168 HB2 CYS 29 HB3 CYS 29 3.906 -1.136 -3.292 169 HB3 CYS 29 HB2 CYS 29 4.748 -0.283 -4.580 170 H GLY 30 H GLY 30 3.714 -2.908 -4.771 171 HA2 GLY 30 HA3 GLY 30 4.000 -4.395 -6.752 172 HA3 GLY 30 HA2 GLY 30 4.630 -2.994 -7.593 173 H GLY 31 H GLY 31 5.197 -3.835 -4.217 174 HA2 GLY 31 HA3 GLY 31 8.100 -3.899 -4.648 175 HA3 GLY 31 HA2 GLY 31 7.262 -3.802 -3.106 176 H SER 32 H SER 32 9.017 -5.466 -2.687 177 HA SER 32 HA SER 32 7.826 -8.092 -2.612 178 HB2 SER 32 HB3 SER 32 9.823 -9.235 -3.689 179 HB3 SER 32 HB2 SER 32 8.849 -8.298 -4.818 180 HG SER 32 HG SER 32 10.857 -6.834 -3.676 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 -6.646 -2.791 2.756 2 H2 SER 1 HT2 SER 1 -6.591 -2.845 4.444 3 H3 SER 1 HT3 SER 1 -6.121 -4.194 3.543 4 HA SER 1 HA SER 1 -4.220 -3.012 4.429 5 HB2 SER 1 HB3 SER 1 -4.020 -4.271 2.304 6 HB3 SER 1 HB2 SER 1 -4.526 -2.855 1.394 7 HG SER 1 HG SER 1 -2.185 -3.355 1.584 8 H CYS 2 H CYS 2 -4.776 -1.141 5.592 9 HA CYS 2 HA CYS 2 -4.982 1.035 6.130 10 HB2 CYS 2 HB3 CYS 2 -3.275 1.291 3.635 11 HB3 CYS 2 HB2 CYS 2 -3.655 2.664 4.667 12 H GLY 3 H GLY 3 -5.226 3.362 4.348 13 HA2 GLY 3 HA3 GLY 3 -8.114 3.223 3.928 14 HA3 GLY 3 HA2 GLY 3 -7.093 4.652 3.884 15 H SER 4 H SER 4 -5.444 2.665 1.982 16 HA SER 4 HA SER 4 -4.944 2.581 -0.183 17 HB2 SER 4 HB3 SER 4 -6.632 1.965 -1.802 18 HB3 SER 4 HB2 SER 4 -7.030 1.181 -0.279 19 HG SER 4 HG SER 4 -8.650 2.710 0.043 20 H GLU 5 H GLU 5 -5.529 5.211 1.148 21 HA GLU 5 HA GLU 5 -6.311 7.016 -0.973 22 HB2 GLU 5 HB3 GLU 5 -6.010 8.781 0.643 23 HB3 GLU 5 HB2 GLU 5 -6.822 7.454 1.447 24 HG2 GLU 5 HG3 GLU 5 -3.850 8.006 1.717 25 HG3 GLU 5 HG2 GLU 5 -5.057 8.686 2.801 26 H CYS 6 H CYS 6 -3.382 5.868 0.574 27 HA CYS 6 HA CYS 6 -1.632 7.439 -1.189 28 HB2 CYS 6 HB3 CYS 6 -1.133 5.794 1.326 29 HB3 CYS 6 HB2 CYS 6 0.099 6.610 0.395 30 H ALA 7 H ALA 7 -3.152 5.414 -2.341 31 HA ALA 7 HA ALA 7 -1.304 3.263 -3.073 32 HB1 ALA 7 HB1 ALA 7 -3.673 2.743 -2.668 33 HB2 ALA 7 HB2 ALA 7 -3.179 2.332 -4.314 34 HB3 ALA 7 HB3 ALA 7 -4.132 3.791 -4.011 35 HA PRO 8 HA PRO 8 -2.613 5.585 -7.264 36 HB2 PRO 8 HB3 PRO 8 -1.572 8.360 -6.954 37 HB3 PRO 8 HB2 PRO 8 -3.185 7.822 -7.419 38 HG2 PRO 8 HG3 PRO 8 -2.687 8.995 -5.050 39 HG3 PRO 8 HG2 PRO 8 -3.941 7.743 -5.223 40 HD2 PRO 8 HD3 PRO 8 -1.137 7.465 -4.147 41 HD3 PRO 8 HD2 PRO 8 -2.660 6.792 -3.525 42 H GLU 9 H GLU 9 0.330 6.761 -5.706 43 HA GLU 9 HA GLU 9 1.546 7.528 -8.194 44 HB2 GLU 9 HB3 GLU 9 2.615 7.631 -5.340 45 HB3 GLU 9 HB2 GLU 9 3.233 8.509 -6.727 46 HG2 GLU 9 HG3 GLU 9 1.193 9.842 -6.852 47 HG3 GLU 9 HG2 GLU 9 0.465 8.887 -5.563 48 HA PRO 10 HA PRO 10 4.647 4.078 -8.287 49 HB2 PRO 10 HB3 PRO 10 6.781 5.514 -9.362 50 HB3 PRO 10 HB2 PRO 10 5.466 4.831 -10.342 51 HG2 PRO 10 HG3 PRO 10 5.774 7.643 -9.315 52 HG3 PRO 10 HG2 PRO 10 5.289 7.089 -10.937 53 HD2 PRO 10 HD3 PRO 10 3.449 7.920 -9.173 54 HD3 PRO 10 HD2 PRO 10 3.109 6.548 -10.255 55 H ASP 11 H ASP 11 5.125 7.272 -6.913 56 HA ASP 11 HA ASP 11 6.985 6.249 -4.837 57 HB2 ASP 11 HB3 ASP 11 7.723 8.251 -6.168 58 HB3 ASP 11 HB2 ASP 11 6.295 9.126 -5.649 59 H CYS 12 H CYS 12 4.223 5.463 -4.785 60 HA CYS 12 HA CYS 12 2.610 7.054 -3.059 61 HB2 CYS 12 HB3 CYS 12 1.223 5.157 -2.844 62 HB3 CYS 12 HB2 CYS 12 1.823 5.088 -4.483 63 H TRP 13 H TRP 13 5.268 4.892 -2.470 64 HA TRP 13 HA TRP 13 5.216 4.182 0.154 65 HB2 TRP 13 HB3 TRP 13 7.569 5.372 -1.358 66 HB3 TRP 13 HB2 TRP 13 7.668 4.396 0.046 67 HD1 TRP 13 HD1 TRP 13 7.138 4.132 -3.675 68 HE1 TRP 13 HE1 TRP 13 7.400 1.666 -4.384 69 HE3 TRP 13 HE3 TRP 13 7.387 2.081 0.920 70 HZ2 TRP 13 HZ2 TRP 13 7.679 -0.843 -3.111 71 HZ3 TRP 13 HZ3 TRP 13 7.646 -0.377 1.134 72 HH2 TRP 13 HH2 TRP 13 7.793 -1.799 -0.845 73 H GLY 14 H GLY 14 5.786 7.355 -1.217 74 HA2 GLY 14 HA3 GLY 14 6.951 8.589 1.132 75 HA3 GLY 14 HA2 GLY 14 6.458 9.399 -0.350 76 H CYS 15 H CYS 15 3.783 7.963 0.107 77 HA CYS 15 HA CYS 15 2.455 10.021 1.745 78 HB2 CYS 15 HB3 CYS 15 1.786 9.420 -0.651 79 HB3 CYS 15 HB2 CYS 15 1.263 7.873 -0.060 80 H CYS 16 H CYS 16 2.930 6.616 1.359 81 HA CYS 16 HA CYS 16 0.875 5.711 3.178 82 HB2 CYS 16 HB3 CYS 16 1.163 4.519 1.170 83 HB3 CYS 16 HB2 CYS 16 2.900 4.443 1.319 84 H LEU 17 H LEU 17 4.449 5.644 3.139 85 HA LEU 17 HA LEU 17 4.791 4.026 5.435 86 HB2 LEU 17 HB3 LEU 17 6.699 5.918 4.032 87 HB3 LEU 17 HB2 LEU 17 7.196 4.931 5.399 88 HG LEU 17 HG LEU 17 6.187 3.853 2.730 89 HD11 LEU 17 HD11 LEU 17 8.424 4.831 2.525 90 HD12 LEU 17 HD12 LEU 17 8.484 3.076 2.374 91 HD13 LEU 17 HD13 LEU 17 8.998 3.847 3.879 92 HD21 LEU 17 HD21 LEU 17 7.260 2.332 5.134 93 HD22 LEU 17 HD22 LEU 17 6.829 1.635 3.568 94 HD23 LEU 17 HD23 LEU 17 5.584 2.357 4.581 95 H VAL 18 H VAL 18 3.547 7.151 5.577 96 HA VAL 18 HA VAL 18 4.824 7.846 8.144 97 HB VAL 18 HB VAL 18 4.272 9.686 6.569 98 HG11 VAL 18 HG11 VAL 18 1.962 10.385 6.127 99 HG12 VAL 18 HG12 VAL 18 1.349 9.002 7.037 100 HG13 VAL 18 HG13 VAL 18 2.242 8.743 5.538 101 HG21 VAL 18 HG21 VAL 18 2.644 9.865 9.135 102 HG22 VAL 18 HG22 VAL 18 3.219 11.232 8.172 103 HG23 VAL 18 HG23 VAL 18 4.377 10.182 8.991 104 H GLN 19 H GLN 19 2.133 6.103 6.988 105 HA GLN 19 HA GLN 19 0.753 6.036 9.606 106 HB2 GLN 19 HB3 GLN 19 -1.400 6.262 8.352 107 HB3 GLN 19 HB2 GLN 19 -0.393 7.686 8.200 108 HG2 GLN 19 HG3 GLN 19 0.385 6.798 6.003 109 HG3 GLN 19 HG2 GLN 19 -0.787 5.501 6.138 110 HE21 GLN 19 HE21 GLN 19 -0.409 7.763 4.235 111 HE22 GLN 19 HE22 GLN 19 -1.962 8.529 4.147 112 H CYS 20 H CYS 20 2.226 4.285 7.183 113 HA CYS 20 HA CYS 20 0.874 1.788 7.892 114 HB2 CYS 20 HB3 CYS 20 1.323 2.637 5.000 115 HB3 CYS 20 HB2 CYS 20 0.679 1.110 5.534 116 H ALA 21 H ALA 21 2.070 -0.083 6.881 117 HA ALA 21 HA ALA 21 4.947 0.187 7.394 118 HB1 ALA 21 HB1 ALA 21 4.884 -2.281 7.562 119 HB2 ALA 21 HB2 ALA 21 3.187 -2.277 7.074 120 HB3 ALA 21 HB3 ALA 21 3.665 -1.542 8.605 121 HA PRO 22 HA PRO 22 6.449 -0.513 3.086 122 HB2 PRO 22 HB3 PRO 22 7.829 -2.900 4.368 123 HB3 PRO 22 HB2 PRO 22 8.480 -1.699 3.225 124 HG2 PRO 22 HG3 PRO 22 9.063 -1.510 5.802 125 HG3 PRO 22 HG2 PRO 22 8.699 -0.049 4.853 126 HD2 PRO 22 HD3 PRO 22 6.988 -1.437 6.878 127 HD3 PRO 22 HD2 PRO 22 7.083 0.283 6.479 128 H SER 23 H SER 23 5.129 -3.209 4.975 129 HA SER 23 HA SER 23 4.611 -5.062 2.936 130 HB2 SER 23 HB3 SER 23 3.025 -4.581 5.500 131 HB3 SER 23 HB2 SER 23 3.025 -6.065 4.542 132 HG SER 23 HG SER 23 4.883 -6.604 5.366 133 H ILE 24 H ILE 24 2.716 -2.289 4.099 134 HA ILE 24 HA ILE 24 0.370 -2.811 2.502 135 HB ILE 24 HB ILE 24 1.239 -0.298 4.000 136 HG12 ILE 24 HG13 ILE 24 0.954 -2.112 5.599 137 HG13 ILE 24 HG12 ILE 24 -0.400 -0.996 5.756 138 HG21 ILE 24 HG21 ILE 24 -0.403 0.258 2.264 139 HG22 ILE 24 HG22 ILE 24 -1.115 0.425 3.864 140 HG23 ILE 24 HG23 ILE 24 -1.501 -0.982 2.876 141 HD11 ILE 24 HD11 ILE 24 -1.822 -2.572 4.507 142 HD12 ILE 24 HD12 ILE 24 -1.138 -3.290 5.963 143 HD13 ILE 24 HD13 ILE 24 -0.463 -3.693 4.386 144 H CYS 25 H CYS 25 3.008 -0.428 2.495 145 HA CYS 25 HA CYS 25 2.182 1.112 0.300 146 HB2 CYS 25 HB3 CYS 25 5.020 0.802 1.314 147 HB3 CYS 25 HB2 CYS 25 4.333 2.203 0.506 148 H ALA 26 H ALA 26 4.272 -1.753 0.487 149 HA ALA 26 HA ALA 26 5.135 -1.781 -2.227 150 HB1 ALA 26 HB1 ALA 26 4.779 -4.135 -0.333 151 HB2 ALA 26 HB2 ALA 26 6.231 -3.148 -0.501 152 HB3 ALA 26 HB3 ALA 26 5.691 -4.152 -1.848 153 H GLY 27 H GLY 27 2.255 -3.011 -0.569 154 HA2 GLY 27 HA3 GLY 27 1.263 -4.668 -2.673 155 HA3 GLY 27 HA2 GLY 27 0.370 -4.107 -1.265 156 H TRP 28 H TRP 28 1.025 -1.256 -1.993 157 HA TRP 28 HA TRP 28 -1.150 -0.855 -3.932 158 HB2 TRP 28 HB3 TRP 28 0.150 1.032 -1.932 159 HB3 TRP 28 HB2 TRP 28 -1.106 1.515 -3.068 160 HD1 TRP 28 HD1 TRP 28 -0.772 0.425 0.382 161 HE1 TRP 28 HE1 TRP 28 -3.010 -0.393 1.345 162 HE3 TRP 28 HE3 TRP 28 -3.380 -0.130 -3.977 163 HZ2 TRP 28 HZ2 TRP 28 -5.519 -1.209 0.390 164 HZ3 TRP 28 HZ3 TRP 28 -5.695 -0.962 -3.872 165 HH2 TRP 28 HH2 TRP 28 -6.747 -1.491 -1.728 166 H CYS 29 H CYS 29 2.250 0.212 -3.372 167 HA CYS 29 HA CYS 29 2.428 1.646 -5.846 168 HB2 CYS 29 HB3 CYS 29 4.367 0.851 -3.723 169 HB3 CYS 29 HB2 CYS 29 5.062 1.128 -5.319 170 H GLY 30 H GLY 30 4.185 -1.315 -4.870 171 HA2 GLY 30 HA3 GLY 30 3.788 -2.804 -7.223 172 HA3 GLY 30 HA2 GLY 30 5.262 -1.865 -7.383 173 H GLY 31 H GLY 31 3.795 -4.623 -5.956 174 HA2 GLY 31 HA3 GLY 31 6.113 -6.008 -5.381 175 HA3 GLY 31 HA2 GLY 31 5.701 -5.163 -3.889 176 H SER 32 H SER 32 5.523 -8.054 -5.183 177 HA SER 32 HA SER 32 2.755 -8.791 -4.827 178 HB2 SER 32 HB3 SER 32 3.652 -11.091 -5.435 179 HB3 SER 32 HB2 SER 32 3.996 -9.831 -6.622 180 HG SER 32 HG SER 32 5.786 -10.807 -4.642 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 -7.838 -1.266 9.041 2 H2 SER 1 HT2 SER 1 -6.156 -1.276 8.938 3 H3 SER 1 HT3 SER 1 -6.973 -2.624 9.541 4 HA SER 1 HA SER 1 -6.229 -3.028 7.305 5 HB2 SER 1 HB3 SER 1 -8.482 -3.640 6.344 6 HB3 SER 1 HB2 SER 1 -8.293 -4.127 8.028 7 HG SER 1 HG SER 1 -10.230 -2.709 7.044 8 H CYS 2 H CYS 2 -5.972 -2.321 5.182 9 HA CYS 2 HA CYS 2 -6.695 0.398 4.480 10 HB2 CYS 2 HB3 CYS 2 -5.154 -1.780 3.057 11 HB3 CYS 2 HB2 CYS 2 -5.617 -0.332 2.229 12 H GLY 3 H GLY 3 -7.792 0.820 2.386 13 HA2 GLY 3 HA3 GLY 3 -10.222 -0.879 2.103 14 HA3 GLY 3 HA2 GLY 3 -10.172 0.876 1.995 15 H SER 4 H SER 4 -7.627 -0.912 0.505 16 HA SER 4 HA SER 4 -6.736 -0.769 -1.530 17 HB2 SER 4 HB3 SER 4 -8.683 -2.180 -2.205 18 HB3 SER 4 HB2 SER 4 -9.591 -0.721 -2.590 19 HG SER 4 HG SER 4 -8.098 -0.277 -4.233 20 H GLU 5 H GLU 5 -7.714 1.681 0.018 21 HA GLU 5 HA GLU 5 -8.093 3.750 -2.001 22 HB2 GLU 5 HB3 GLU 5 -9.196 3.919 0.228 23 HB3 GLU 5 HB2 GLU 5 -7.621 3.966 1.009 24 HG2 GLU 5 HG3 GLU 5 -7.137 6.105 -0.219 25 HG3 GLU 5 HG2 GLU 5 -8.784 6.071 -0.852 26 H CYS 6 H CYS 6 -5.597 2.450 0.079 27 HA CYS 6 HA CYS 6 -3.505 4.110 -1.134 28 HB2 CYS 6 HB3 CYS 6 -3.574 2.238 1.251 29 HB3 CYS 6 HB2 CYS 6 -2.126 3.009 0.649 30 H ALA 7 H ALA 7 -4.740 2.385 -2.838 31 HA ALA 7 HA ALA 7 -2.607 0.475 -3.550 32 HB1 ALA 7 HB1 ALA 7 -4.860 -0.474 -3.316 33 HB2 ALA 7 HB2 ALA 7 -4.262 -0.614 -4.970 34 HB3 ALA 7 HB3 ALA 7 -5.452 0.627 -4.559 35 HA PRO 8 HA PRO 8 -3.751 3.543 -7.397 36 HB2 PRO 8 HB3 PRO 8 -2.403 5.985 -6.243 37 HB3 PRO 8 HB2 PRO 8 -3.910 5.854 -7.163 38 HG2 PRO 8 HG3 PRO 8 -3.976 6.349 -4.557 39 HG3 PRO 8 HG2 PRO 8 -5.160 5.232 -5.279 40 HD2 PRO 8 HD3 PRO 8 -2.620 4.553 -3.784 41 HD3 PRO 8 HD2 PRO 8 -4.254 3.885 -3.598 42 H GLU 9 H GLU 9 -0.893 4.288 -5.430 43 HA GLU 9 HA GLU 9 0.766 4.788 -7.679 44 HB2 GLU 9 HB3 GLU 9 1.480 4.532 -4.722 45 HB3 GLU 9 HB2 GLU 9 2.484 5.236 -5.972 46 HG2 GLU 9 HG3 GLU 9 -0.121 6.336 -4.889 47 HG3 GLU 9 HG2 GLU 9 1.491 7.009 -4.654 48 HA PRO 10 HA PRO 10 2.903 0.696 -7.768 49 HB2 PRO 10 HB3 PRO 10 5.368 1.543 -8.704 50 HB3 PRO 10 HB2 PRO 10 3.961 1.325 -9.765 51 HG2 PRO 10 HG3 PRO 10 5.026 3.859 -8.551 52 HG3 PRO 10 HG2 PRO 10 4.457 3.555 -10.209 53 HD2 PRO 10 HD3 PRO 10 2.889 4.775 -8.376 54 HD3 PRO 10 HD2 PRO 10 2.208 3.696 -9.616 55 H ASP 11 H ASP 11 4.050 3.612 -6.244 56 HA ASP 11 HA ASP 11 5.473 2.147 -4.114 57 HB2 ASP 11 HB3 ASP 11 6.462 4.343 -3.532 58 HB3 ASP 11 HB2 ASP 11 6.773 3.953 -5.218 59 H CYS 12 H CYS 12 2.777 1.803 -4.175 60 HA CYS 12 HA CYS 12 1.058 3.515 -2.790 61 HB2 CYS 12 HB3 CYS 12 -0.298 1.577 -2.368 62 HB3 CYS 12 HB2 CYS 12 0.386 1.401 -3.972 63 H TRP 13 H TRP 13 3.644 1.540 -1.578 64 HA TRP 13 HA TRP 13 3.382 1.130 1.060 65 HB2 TRP 13 HB3 TRP 13 5.775 2.472 -0.258 66 HB3 TRP 13 HB2 TRP 13 5.795 1.551 1.185 67 HD1 TRP 13 HD1 TRP 13 5.941 1.165 -2.537 68 HE1 TRP 13 HE1 TRP 13 6.327 -1.316 -3.147 69 HE3 TRP 13 HE3 TRP 13 5.307 -0.825 2.052 70 HZ2 TRP 13 HZ2 TRP 13 6.362 -3.799 -1.798 71 HZ3 TRP 13 HZ3 TRP 13 5.514 -3.277 2.350 72 HH2 TRP 13 HH2 TRP 13 6.040 -4.732 0.458 73 H GLY 14 H GLY 14 3.831 4.256 -0.500 74 HA2 GLY 14 HA3 GLY 14 4.519 5.804 1.826 75 HA3 GLY 14 HA2 GLY 14 4.055 6.438 0.256 76 H CYS 15 H CYS 15 1.520 4.821 0.458 77 HA CYS 15 HA CYS 15 -0.115 6.756 1.959 78 HB2 CYS 15 HB3 CYS 15 -0.582 6.078 -0.460 79 HB3 CYS 15 HB2 CYS 15 -1.007 4.500 0.118 80 H CYS 16 H CYS 16 0.554 3.358 1.625 81 HA CYS 16 HA CYS 16 -1.602 2.404 3.257 82 HB2 CYS 16 HB3 CYS 16 -1.108 1.137 1.371 83 HB3 CYS 16 HB2 CYS 16 0.612 1.210 1.621 84 H LEU 17 H LEU 17 1.945 2.457 3.596 85 HA LEU 17 HA LEU 17 2.113 0.860 5.906 86 HB2 LEU 17 HB3 LEU 17 4.035 2.885 4.741 87 HB3 LEU 17 HB2 LEU 17 4.431 1.984 6.195 88 HG LEU 17 HG LEU 17 3.933 0.801 3.435 89 HD11 LEU 17 HD11 LEU 17 6.483 0.938 5.076 90 HD12 LEU 17 HD12 LEU 17 6.125 1.896 3.636 91 HD13 LEU 17 HD13 LEU 17 6.294 0.147 3.507 92 HD21 LEU 17 HD21 LEU 17 4.606 -0.629 6.029 93 HD22 LEU 17 HD22 LEU 17 4.532 -1.366 4.427 94 HD23 LEU 17 HD23 LEU 17 3.072 -0.712 5.158 95 H VAL 18 H VAL 18 0.981 4.123 5.834 96 HA VAL 18 HA VAL 18 1.941 4.904 8.458 97 HB VAL 18 HB VAL 18 1.372 6.619 6.734 98 HG11 VAL 18 HG11 VAL 18 -0.956 7.184 6.203 99 HG12 VAL 18 HG12 VAL 18 -1.532 5.842 7.195 100 HG13 VAL 18 HG13 VAL 18 -0.594 5.523 5.737 101 HG21 VAL 18 HG21 VAL 18 -0.318 6.888 9.260 102 HG22 VAL 18 HG22 VAL 18 0.200 8.216 8.214 103 HG23 VAL 18 HG23 VAL 18 1.399 7.288 9.114 104 H GLN 19 H GLN 19 -0.617 2.948 7.321 105 HA GLN 19 HA GLN 19 -2.142 3.042 9.859 106 HB2 GLN 19 HB3 GLN 19 -4.232 3.110 8.466 107 HB3 GLN 19 HB2 GLN 19 -3.257 4.551 8.301 108 HG2 GLN 19 HG3 GLN 19 -2.298 3.472 6.207 109 HG3 GLN 19 HG2 GLN 19 -3.585 2.287 6.324 110 HE21 GLN 19 HE21 GLN 19 -2.888 4.444 4.353 111 HE22 GLN 19 HE22 GLN 19 -4.363 5.330 4.139 112 H CYS 20 H CYS 20 -0.804 1.224 7.278 113 HA CYS 20 HA CYS 20 -2.109 -1.279 8.141 114 HB2 CYS 20 HB3 CYS 20 -1.464 -0.519 5.265 115 HB3 CYS 20 HB2 CYS 20 -2.140 -2.040 5.789 116 H ALA 21 H ALA 21 -0.865 -3.185 7.244 117 HA ALA 21 HA ALA 21 1.912 -2.992 8.105 118 HB1 ALA 21 HB1 ALA 21 0.466 -4.801 8.952 119 HB2 ALA 21 HB2 ALA 21 1.816 -5.465 8.032 120 HB3 ALA 21 HB3 ALA 21 0.208 -5.387 7.306 121 HA PRO 22 HA PRO 22 3.977 -3.279 3.997 122 HB2 PRO 22 HB3 PRO 22 5.417 -5.585 5.358 123 HB3 PRO 22 HB2 PRO 22 6.091 -4.264 4.375 124 HG2 PRO 22 HG3 PRO 22 6.301 -4.196 7.015 125 HG3 PRO 22 HG2 PRO 22 5.934 -2.710 6.104 126 HD2 PRO 22 HD3 PRO 22 4.103 -4.388 7.768 127 HD3 PRO 22 HD2 PRO 22 4.089 -2.642 7.510 128 H SER 23 H SER 23 2.570 -6.127 5.571 129 HA SER 23 HA SER 23 2.530 -7.889 3.375 130 HB2 SER 23 HB3 SER 23 0.505 -7.662 5.643 131 HB3 SER 23 HB2 SER 23 0.761 -9.073 4.613 132 HG SER 23 HG SER 23 3.080 -8.751 5.475 133 H ILE 24 H ILE 24 0.235 -5.330 4.376 134 HA ILE 24 HA ILE 24 -1.742 -5.851 2.368 135 HB ILE 24 HB ILE 24 -1.193 -3.441 4.154 136 HG12 ILE 24 HG13 ILE 24 -2.120 -5.222 5.455 137 HG13 ILE 24 HG12 ILE 24 -3.461 -4.108 5.139 138 HG21 ILE 24 HG21 ILE 24 -2.188 -2.525 2.138 139 HG22 ILE 24 HG22 ILE 24 -3.358 -2.470 3.454 140 HG23 ILE 24 HG23 ILE 24 -3.496 -3.707 2.202 141 HD11 ILE 24 HD11 ILE 24 -4.258 -5.616 3.359 142 HD12 ILE 24 HD12 ILE 24 -4.192 -6.402 4.933 143 HD13 ILE 24 HD13 ILE 24 -2.949 -6.741 3.731 144 H CYS 25 H CYS 25 0.784 -3.391 2.750 145 HA CYS 25 HA CYS 25 0.335 -1.961 0.380 146 HB2 CYS 25 HB3 CYS 25 3.033 -2.184 1.731 147 HB3 CYS 25 HB2 CYS 25 2.332 -0.791 0.925 148 H ALA 26 H ALA 26 2.373 -4.771 1.079 149 HA ALA 26 HA ALA 26 3.807 -5.011 -1.320 150 HB1 ALA 26 HB1 ALA 26 2.776 -7.259 0.451 151 HB2 ALA 26 HB2 ALA 26 4.295 -6.388 0.662 152 HB3 ALA 26 HB3 ALA 26 4.053 -7.404 -0.761 153 H GLY 27 H GLY 27 0.477 -5.886 -0.527 154 HA2 GLY 27 HA3 GLY 27 0.045 -7.612 -2.811 155 HA3 GLY 27 HA2 GLY 27 -1.154 -7.064 -1.652 156 H TRP 28 H TRP 28 -0.823 -4.300 -1.902 157 HA TRP 28 HA TRP 28 -2.437 -3.823 -4.249 158 HB2 TRP 28 HB3 TRP 28 -1.411 -1.909 -2.117 159 HB3 TRP 28 HB2 TRP 28 -2.574 -1.491 -3.370 160 HD1 TRP 28 HD1 TRP 28 -2.562 -2.345 0.108 161 HE1 TRP 28 HE1 TRP 28 -4.834 -3.265 0.901 162 HE3 TRP 28 HE3 TRP 28 -4.630 -3.473 -4.440 163 HZ2 TRP 28 HZ2 TRP 28 -7.151 -4.368 -0.228 164 HZ3 TRP 28 HZ3 TRP 28 -6.877 -4.482 -4.492 165 HH2 TRP 28 HH2 TRP 28 -8.114 -4.920 -2.426 166 H CYS 29 H CYS 29 0.816 -2.829 -3.176 167 HA CYS 29 HA CYS 29 1.513 -1.318 -5.478 168 HB2 CYS 29 HB3 CYS 29 3.071 -2.653 -3.273 169 HB3 CYS 29 HB2 CYS 29 3.948 -2.027 -4.662 170 H GLY 30 H GLY 30 2.460 -4.612 -4.505 171 HA2 GLY 30 HA3 GLY 30 3.043 -6.441 -5.746 172 HA3 GLY 30 HA2 GLY 30 2.757 -5.561 -7.238 173 H GLY 31 H GLY 31 4.372 -3.466 -7.191 174 HA2 GLY 31 HA3 GLY 31 6.987 -4.304 -7.697 175 HA3 GLY 31 HA2 GLY 31 6.477 -2.645 -7.430 176 H SER 32 H SER 32 8.149 -5.304 -6.147 177 HA SER 32 HA SER 32 9.106 -3.838 -3.843 178 HB2 SER 32 HB3 SER 32 7.023 -4.878 -2.943 179 HB3 SER 32 HB2 SER 32 7.580 -6.469 -3.465 180 HG SER 32 HG SER 32 9.133 -6.444 -1.937 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 -3.844 -3.672 8.360 2 H2 SER 1 HT2 SER 1 -5.232 -4.367 9.028 3 H3 SER 1 HT3 SER 1 -4.746 -2.823 9.504 4 HA SER 1 HA SER 1 -5.661 -3.583 6.791 5 HB2 SER 1 HB3 SER 1 -7.464 -3.536 8.540 6 HB3 SER 1 HB2 SER 1 -7.028 -1.875 8.923 7 HG SER 1 HG SER 1 -8.593 -1.562 7.501 8 H CYS 2 H CYS 2 -6.501 -1.255 5.870 9 HA CYS 2 HA CYS 2 -4.691 0.959 6.395 10 HB2 CYS 2 HB3 CYS 2 -3.562 -0.690 4.714 11 HB3 CYS 2 HB2 CYS 2 -4.745 -0.149 3.565 12 H GLY 3 H GLY 3 -5.241 2.618 4.378 13 HA2 GLY 3 HA3 GLY 3 -8.111 3.074 4.450 14 HA3 GLY 3 HA2 GLY 3 -6.899 4.087 3.680 15 H SER 4 H SER 4 -5.894 1.472 2.348 16 HA SER 4 HA SER 4 -6.030 0.403 0.395 17 HB2 SER 4 HB3 SER 4 -9.036 0.893 0.539 18 HB3 SER 4 HB2 SER 4 -8.239 -0.229 -0.567 19 HG SER 4 HG SER 4 -8.135 -1.632 0.976 20 H GLU 5 H GLU 5 -6.126 3.463 0.695 21 HA GLU 5 HA GLU 5 -6.675 4.206 -2.126 22 HB2 GLU 5 HB3 GLU 5 -6.979 5.824 0.431 23 HB3 GLU 5 HB2 GLU 5 -7.181 6.494 -1.186 24 HG2 GLU 5 HG3 GLU 5 -8.879 4.288 0.020 25 HG3 GLU 5 HG2 GLU 5 -9.331 5.987 -0.046 26 H CYS 6 H CYS 6 -4.222 3.501 -0.143 27 HA CYS 6 HA CYS 6 -2.382 5.516 -1.250 28 HB2 CYS 6 HB3 CYS 6 -2.342 3.877 1.295 29 HB3 CYS 6 HB2 CYS 6 -0.929 4.691 0.675 30 H ALA 7 H ALA 7 -3.457 3.075 -2.494 31 HA ALA 7 HA ALA 7 -1.028 1.620 -3.206 32 HB1 ALA 7 HB1 ALA 7 -3.164 0.425 -2.960 33 HB2 ALA 7 HB2 ALA 7 -2.501 0.257 -4.588 34 HB3 ALA 7 HB3 ALA 7 -3.838 1.370 -4.287 35 HA PRO 8 HA PRO 8 -2.558 3.863 -7.365 36 HB2 PRO 8 HB3 PRO 8 -2.490 6.770 -6.727 37 HB3 PRO 8 HB2 PRO 8 -3.800 5.804 -7.406 38 HG2 PRO 8 HG3 PRO 8 -3.925 6.805 -4.914 39 HG3 PRO 8 HG2 PRO 8 -4.648 5.232 -5.318 40 HD2 PRO 8 HD3 PRO 8 -1.966 5.776 -4.015 41 HD3 PRO 8 HD2 PRO 8 -3.257 4.639 -3.546 42 H GLU 9 H GLU 9 -0.366 5.815 -5.379 43 HA GLU 9 HA GLU 9 0.839 7.127 -7.561 44 HB2 GLU 9 HB3 GLU 9 1.656 6.964 -4.623 45 HB3 GLU 9 HB2 GLU 9 2.260 8.127 -5.788 46 HG2 GLU 9 HG3 GLU 9 -0.570 7.908 -4.726 47 HG3 GLU 9 HG2 GLU 9 0.587 9.196 -4.393 48 HA PRO 10 HA PRO 10 4.499 4.494 -8.231 49 HB2 PRO 10 HB3 PRO 10 6.449 6.396 -8.707 50 HB3 PRO 10 HB2 PRO 10 5.217 5.953 -9.908 51 HG2 PRO 10 HG3 PRO 10 5.242 8.290 -8.016 52 HG3 PRO 10 HG2 PRO 10 4.829 8.250 -9.745 53 HD2 PRO 10 HD3 PRO 10 2.914 8.282 -7.856 54 HD3 PRO 10 HD2 PRO 10 2.709 7.365 -9.367 55 H ASP 11 H ASP 11 4.551 7.150 -5.958 56 HA ASP 11 HA ASP 11 6.528 5.821 -4.200 57 HB2 ASP 11 HB3 ASP 11 6.929 8.032 -3.237 58 HB3 ASP 11 HB2 ASP 11 7.076 8.146 -4.985 59 H CYS 12 H CYS 12 3.748 5.020 -4.458 60 HA CYS 12 HA CYS 12 1.876 5.981 -2.642 61 HB2 CYS 12 HB3 CYS 12 1.043 3.562 -2.707 62 HB3 CYS 12 HB2 CYS 12 1.145 4.422 -4.239 63 H TRP 13 H TRP 13 4.721 4.076 -1.922 64 HA TRP 13 HA TRP 13 4.164 2.898 0.510 65 HB2 TRP 13 HB3 TRP 13 6.737 4.219 -0.443 66 HB3 TRP 13 HB2 TRP 13 6.611 3.102 0.849 67 HD1 TRP 13 HD1 TRP 13 6.464 3.214 -2.939 68 HE1 TRP 13 HE1 TRP 13 6.803 0.825 -3.860 69 HE3 TRP 13 HE3 TRP 13 6.386 0.716 1.438 70 HZ2 TRP 13 HZ2 TRP 13 7.014 -1.808 -2.809 71 HZ3 TRP 13 HZ3 TRP 13 6.662 -1.739 1.460 72 HH2 TRP 13 HH2 TRP 13 6.972 -2.983 -0.639 73 H GLY 14 H GLY 14 4.947 6.213 -0.282 74 HA2 GLY 14 HA3 GLY 14 5.475 7.182 2.385 75 HA3 GLY 14 HA2 GLY 14 5.208 8.160 0.948 76 H CYS 15 H CYS 15 2.657 6.650 0.525 77 HA CYS 15 HA CYS 15 0.854 8.378 2.009 78 HB2 CYS 15 HB3 CYS 15 0.626 7.678 -0.459 79 HB3 CYS 15 HB2 CYS 15 0.144 6.112 0.107 80 H CYS 16 H CYS 16 1.678 4.999 1.699 81 HA CYS 16 HA CYS 16 -0.530 4.004 3.258 82 HB2 CYS 16 HB3 CYS 16 0.108 2.758 1.369 83 HB3 CYS 16 HB2 CYS 16 1.803 2.792 1.778 84 H LEU 17 H LEU 17 3.038 3.872 3.669 85 HA LEU 17 HA LEU 17 2.996 2.583 6.167 86 HB2 LEU 17 HB3 LEU 17 5.126 4.186 4.741 87 HB3 LEU 17 HB2 LEU 17 5.415 3.572 6.362 88 HG LEU 17 HG LEU 17 4.492 1.299 5.032 89 HD11 LEU 17 HD11 LEU 17 4.582 2.374 2.869 90 HD12 LEU 17 HD12 LEU 17 5.757 1.068 2.987 91 HD13 LEU 17 HD13 LEU 17 6.293 2.749 3.101 92 HD21 LEU 17 HD21 LEU 17 6.321 1.276 6.589 93 HD22 LEU 17 HD22 LEU 17 7.363 2.137 5.445 94 HD23 LEU 17 HD23 LEU 17 6.804 0.498 5.074 95 H VAL 18 H VAL 18 2.037 5.825 5.685 96 HA VAL 18 HA VAL 18 3.105 6.827 8.228 97 HB VAL 18 HB VAL 18 2.796 8.417 6.342 98 HG11 VAL 18 HG11 VAL 18 0.579 9.170 5.625 99 HG12 VAL 18 HG12 VAL 18 -0.188 7.985 6.689 100 HG13 VAL 18 HG13 VAL 18 0.792 7.446 5.326 101 HG21 VAL 18 HG21 VAL 18 1.019 9.106 8.720 102 HG22 VAL 18 HG22 VAL 18 1.746 10.263 7.595 103 HG23 VAL 18 HG23 VAL 18 2.776 9.298 8.651 104 H GLN 19 H GLN 19 0.550 4.874 7.274 105 HA GLN 19 HA GLN 19 -0.991 5.224 9.746 106 HB2 GLN 19 HB3 GLN 19 -3.097 5.413 8.401 107 HB3 GLN 19 HB2 GLN 19 -2.030 6.778 8.178 108 HG2 GLN 19 HG3 GLN 19 -1.220 5.720 6.087 109 HG3 GLN 19 HG2 GLN 19 -2.423 4.459 6.275 110 HE21 GLN 19 HE21 GLN 19 -1.963 6.517 4.203 111 HE22 GLN 19 HE22 GLN 19 -3.478 7.331 4.022 112 H CYS 20 H CYS 20 0.458 3.152 7.538 113 HA CYS 20 HA CYS 20 -1.091 0.816 8.431 114 HB2 CYS 20 HB3 CYS 20 -0.272 1.056 5.511 115 HB3 CYS 20 HB2 CYS 20 -1.446 -0.017 6.235 116 H ALA 21 H ALA 21 0.154 -1.242 7.762 117 HA ALA 21 HA ALA 21 2.882 -0.999 8.671 118 HB1 ALA 21 HB1 ALA 21 2.874 -3.463 8.615 119 HB2 ALA 21 HB2 ALA 21 1.318 -3.454 7.780 120 HB3 ALA 21 HB3 ALA 21 1.439 -2.853 9.437 121 HA PRO 22 HA PRO 22 5.070 -1.320 4.599 122 HB2 PRO 22 HB3 PRO 22 7.100 -3.066 5.566 123 HB3 PRO 22 HB2 PRO 22 7.176 -1.297 5.549 124 HG2 PRO 22 HG3 PRO 22 6.426 -3.124 7.796 125 HG3 PRO 22 HG2 PRO 22 7.369 -1.616 7.830 126 HD2 PRO 22 HD3 PRO 22 4.829 -1.612 8.648 127 HD3 PRO 22 HD2 PRO 22 5.447 -0.257 7.699 128 H SER 23 H SER 23 4.135 -4.086 6.582 129 HA SER 23 HA SER 23 4.250 -6.133 4.657 130 HB2 SER 23 HB3 SER 23 2.254 -5.828 6.945 131 HB3 SER 23 HB2 SER 23 2.748 -7.339 6.173 132 HG SER 23 HG SER 23 4.644 -7.264 7.190 133 H ILE 24 H ILE 24 1.774 -3.711 5.424 134 HA ILE 24 HA ILE 24 -0.272 -4.693 3.661 135 HB ILE 24 HB ILE 24 0.131 -2.002 5.045 136 HG12 ILE 24 HG13 ILE 24 -0.227 -3.814 6.659 137 HG13 ILE 24 HG12 ILE 24 -1.631 -2.747 6.608 138 HG21 ILE 24 HG21 ILE 24 -2.263 -1.577 4.600 139 HG22 ILE 24 HG22 ILE 24 -2.307 -3.009 3.572 140 HG23 ILE 24 HG23 ILE 24 -1.286 -1.639 3.133 141 HD11 ILE 24 HD11 ILE 24 -2.298 -5.072 6.810 142 HD12 ILE 24 HD12 ILE 24 -1.432 -5.488 5.333 143 HD13 ILE 24 HD13 ILE 24 -2.837 -4.420 5.264 144 H CYS 25 H CYS 25 2.081 -2.033 3.577 145 HA CYS 25 HA CYS 25 1.361 -0.856 1.122 146 HB2 CYS 25 HB3 CYS 25 4.071 -0.808 2.494 147 HB3 CYS 25 HB2 CYS 25 3.436 0.405 1.395 148 H ALA 26 H ALA 26 3.646 -3.417 1.951 149 HA ALA 26 HA ALA 26 4.865 -3.864 -0.536 150 HB1 ALA 26 HB1 ALA 26 4.141 -5.910 1.589 151 HB2 ALA 26 HB2 ALA 26 5.601 -4.919 1.563 152 HB3 ALA 26 HB3 ALA 26 5.336 -6.125 0.304 153 H GLY 27 H GLY 27 1.649 -4.725 0.603 154 HA2 GLY 27 HA3 GLY 27 1.081 -6.603 -1.544 155 HA3 GLY 27 HA2 GLY 27 -0.027 -6.051 -0.297 156 H TRP 28 H TRP 28 0.416 -3.208 -0.820 157 HA TRP 28 HA TRP 28 -1.506 -2.882 -2.967 158 HB2 TRP 28 HB3 TRP 28 -0.172 -0.876 -1.106 159 HB3 TRP 28 HB2 TRP 28 -1.353 -0.424 -2.327 160 HD1 TRP 28 HD1 TRP 28 -1.209 -1.154 1.222 161 HE1 TRP 28 HE1 TRP 28 -3.519 -1.778 2.167 162 HE3 TRP 28 HE3 TRP 28 -3.708 -2.020 -3.166 163 HZ2 TRP 28 HZ2 TRP 28 -6.035 -2.531 1.215 164 HZ3 TRP 28 HZ3 TRP 28 -6.075 -2.696 -3.054 165 HH2 TRP 28 HH2 TRP 28 -7.216 -2.946 -0.904 166 H CYS 29 H CYS 29 1.799 -1.676 -2.341 167 HA CYS 29 HA CYS 29 1.985 -0.350 -4.899 168 HB2 CYS 29 HB3 CYS 29 4.006 -0.777 -2.678 169 HB3 CYS 29 HB2 CYS 29 4.316 0.183 -4.123 170 H GLY 30 H GLY 30 4.109 -2.876 -3.413 171 HA2 GLY 30 HA3 GLY 30 4.789 -3.845 -6.124 172 HA3 GLY 30 HA2 GLY 30 6.063 -3.223 -5.094 173 H GLY 31 H GLY 31 4.082 -5.923 -5.823 174 HA2 GLY 31 HA3 GLY 31 4.540 -7.454 -3.431 175 HA3 GLY 31 HA2 GLY 31 3.876 -8.044 -4.945 176 H SER 32 H SER 32 6.899 -7.170 -3.323 177 HA SER 32 HA SER 32 8.407 -9.197 -4.820 178 HB2 SER 32 HB3 SER 32 8.594 -7.122 -6.183 179 HB3 SER 32 HB2 SER 32 9.201 -6.240 -4.781 180 HG SER 32 HG SER 32 11.056 -6.852 -5.612 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 -5.160 -3.644 7.313 2 H2 SER 1 HT2 SER 1 -3.513 -4.003 7.370 3 H3 SER 1 HT3 SER 1 -4.590 -5.090 6.652 4 HA SER 1 HA SER 1 -3.359 -3.875 4.982 5 HB2 SER 1 HB3 SER 1 -5.384 -3.043 3.715 6 HB3 SER 1 HB2 SER 1 -5.624 -4.633 4.443 7 HG SER 1 HG SER 1 -6.956 -2.307 4.900 8 H CYS 2 H CYS 2 -3.567 -1.666 3.708 9 HA CYS 2 HA CYS 2 -3.280 0.632 5.541 10 HB2 CYS 2 HB3 CYS 2 -1.768 0.053 3.395 11 HB3 CYS 2 HB2 CYS 2 -3.017 0.881 2.553 12 H GLY 3 H GLY 3 -4.242 2.696 3.997 13 HA2 GLY 3 HA3 GLY 3 -7.109 2.441 3.955 14 HA3 GLY 3 HA2 GLY 3 -6.157 3.821 3.424 15 H SER 4 H SER 4 -4.606 1.739 1.678 16 HA SER 4 HA SER 4 -4.485 1.115 -0.484 17 HB2 SER 4 HB3 SER 4 -6.558 -0.251 -0.109 18 HB3 SER 4 HB2 SER 4 -7.549 1.152 -0.506 19 HG SER 4 HG SER 4 -7.260 -0.277 -2.294 20 H GLU 5 H GLU 5 -4.377 3.734 0.506 21 HA GLU 5 HA GLU 5 -5.479 5.462 -1.660 22 HB2 GLU 5 HB3 GLU 5 -6.350 5.949 0.615 23 HB3 GLU 5 HB2 GLU 5 -4.704 6.153 1.205 24 HG2 GLU 5 HG3 GLU 5 -4.442 8.092 -0.374 25 HG3 GLU 5 HG2 GLU 5 -6.146 7.927 -0.790 26 H CYS 6 H CYS 6 -2.651 4.488 0.129 27 HA CYS 6 HA CYS 6 -0.899 6.419 -1.205 28 HB2 CYS 6 HB3 CYS 6 -0.592 4.689 1.264 29 HB3 CYS 6 HB2 CYS 6 0.655 5.717 0.604 30 H ALA 7 H ALA 7 -1.853 4.233 -2.710 31 HA ALA 7 HA ALA 7 0.626 2.767 -3.351 32 HB1 ALA 7 HB1 ALA 7 -1.467 1.503 -3.149 33 HB2 ALA 7 HB2 ALA 7 -0.795 1.387 -4.778 34 HB3 ALA 7 HB3 ALA 7 -2.167 2.450 -4.462 35 HA PRO 8 HA PRO 8 -0.795 5.300 -7.441 36 HB2 PRO 8 HB3 PRO 8 -0.244 8.106 -6.553 37 HB3 PRO 8 HB2 PRO 8 -1.663 7.449 -7.381 38 HG2 PRO 8 HG3 PRO 8 -1.781 8.220 -4.824 39 HG3 PRO 8 HG2 PRO 8 -2.696 6.810 -5.401 40 HD2 PRO 8 HD3 PRO 8 -0.054 6.849 -3.922 41 HD3 PRO 8 HD2 PRO 8 -1.502 5.859 -3.627 42 H GLU 9 H GLU 9 1.675 6.831 -5.389 43 HA GLU 9 HA GLU 9 3.081 7.896 -7.647 44 HB2 GLU 9 HB3 GLU 9 3.617 8.049 -4.641 45 HB3 GLU 9 HB2 GLU 9 4.430 9.000 -5.868 46 HG2 GLU 9 HG3 GLU 9 1.482 9.125 -5.177 47 HG3 GLU 9 HG2 GLU 9 2.695 10.331 -4.759 48 HA PRO 10 HA PRO 10 6.645 4.986 -7.491 49 HB2 PRO 10 HB3 PRO 10 8.711 6.639 -8.214 50 HB3 PRO 10 HB2 PRO 10 7.507 6.058 -9.385 51 HG2 PRO 10 HG3 PRO 10 7.622 8.705 -7.974 52 HG3 PRO 10 HG2 PRO 10 7.278 8.358 -9.682 53 HD2 PRO 10 HD3 PRO 10 5.306 8.869 -7.888 54 HD3 PRO 10 HD2 PRO 10 5.074 7.775 -9.271 55 H ASP 11 H ASP 11 6.356 7.877 -5.638 56 HA ASP 11 HA ASP 11 8.243 6.928 -3.557 57 HB2 ASP 11 HB3 ASP 11 8.404 9.287 -2.825 58 HB3 ASP 11 HB2 ASP 11 8.872 9.128 -4.513 59 H CYS 12 H CYS 12 5.458 6.070 -4.047 60 HA CYS 12 HA CYS 12 3.575 7.174 -2.256 61 HB2 CYS 12 HB3 CYS 12 2.479 4.911 -2.475 62 HB3 CYS 12 HB2 CYS 12 2.779 5.752 -3.993 63 H TRP 13 H TRP 13 6.337 5.144 -1.612 64 HA TRP 13 HA TRP 13 5.710 3.826 0.721 65 HB2 TRP 13 HB3 TRP 13 8.311 5.222 -0.026 66 HB3 TRP 13 HB2 TRP 13 8.131 4.103 1.248 67 HD1 TRP 13 HD1 TRP 13 8.250 4.190 -2.546 68 HE1 TRP 13 HE1 TRP 13 8.744 1.799 -3.410 69 HE3 TRP 13 HE3 TRP 13 7.931 1.736 1.849 70 HZ2 TRP 13 HZ2 TRP 13 8.972 -0.812 -2.301 71 HZ3 TRP 13 HZ3 TRP 13 8.289 -0.710 1.923 72 HH2 TRP 13 HH2 TRP 13 8.801 -1.963 -0.124 73 H GLY 14 H GLY 14 6.440 7.223 0.188 74 HA2 GLY 14 HA3 GLY 14 6.899 7.983 2.931 75 HA3 GLY 14 HA2 GLY 14 6.585 9.076 1.588 76 H CYS 15 H CYS 15 4.119 7.672 0.915 77 HA CYS 15 HA CYS 15 2.250 9.166 2.546 78 HB2 CYS 15 HB3 CYS 15 2.085 8.882 0.021 79 HB3 CYS 15 HB2 CYS 15 1.686 7.207 0.276 80 H CYS 16 H CYS 16 3.059 5.830 1.821 81 HA CYS 16 HA CYS 16 0.886 4.586 3.205 82 HB2 CYS 16 HB3 CYS 16 1.914 3.499 1.323 83 HB3 CYS 16 HB2 CYS 16 3.494 3.537 2.071 84 H LEU 17 H LEU 17 4.380 4.833 3.948 85 HA LEU 17 HA LEU 17 4.196 3.448 6.422 86 HB2 LEU 17 HB3 LEU 17 6.394 5.053 5.104 87 HB3 LEU 17 HB2 LEU 17 6.598 4.442 6.738 88 HG LEU 17 HG LEU 17 5.742 2.168 5.352 89 HD11 LEU 17 HD11 LEU 17 5.972 3.230 3.198 90 HD12 LEU 17 HD12 LEU 17 7.146 1.932 3.392 91 HD13 LEU 17 HD13 LEU 17 7.662 3.616 3.536 92 HD21 LEU 17 HD21 LEU 17 7.481 2.168 7.034 93 HD22 LEU 17 HD22 LEU 17 8.602 2.960 5.914 94 HD23 LEU 17 HD23 LEU 17 8.009 1.328 5.574 95 H VAL 18 H VAL 18 3.081 6.590 5.922 96 HA VAL 18 HA VAL 18 3.953 7.609 8.551 97 HB VAL 18 HB VAL 18 3.664 9.223 6.643 98 HG11 VAL 18 HG11 VAL 18 1.429 9.942 5.929 99 HG12 VAL 18 HG12 VAL 18 0.692 8.693 6.935 100 HG13 VAL 18 HG13 VAL 18 1.699 8.239 5.564 101 HG21 VAL 18 HG21 VAL 18 1.842 9.791 9.015 102 HG22 VAL 18 HG22 VAL 18 2.544 11.003 7.933 103 HG23 VAL 18 HG23 VAL 18 3.593 10.039 8.975 104 H GLN 19 H GLN 19 1.562 5.567 7.337 105 HA GLN 19 HA GLN 19 -0.155 5.752 9.709 106 HB2 GLN 19 HB3 GLN 19 -2.173 5.962 8.246 107 HB3 GLN 19 HB2 GLN 19 -1.132 7.358 8.152 108 HG2 GLN 19 HG3 GLN 19 -0.168 6.374 6.058 109 HG3 GLN 19 HG2 GLN 19 -1.408 5.135 6.116 110 HE21 GLN 19 HE21 GLN 19 -0.785 7.314 4.178 111 HE22 GLN 19 HE22 GLN 19 -2.281 8.160 3.958 112 H CYS 20 H CYS 20 1.509 3.822 7.534 113 HA CYS 20 HA CYS 20 0.105 1.396 8.365 114 HB2 CYS 20 HB3 CYS 20 0.800 1.819 5.420 115 HB3 CYS 20 HB2 CYS 20 -0.037 0.474 6.134 116 H ALA 21 H ALA 21 1.431 -0.551 7.808 117 HA ALA 21 HA ALA 21 4.147 -0.113 8.702 118 HB1 ALA 21 HB1 ALA 21 4.221 -2.583 8.862 119 HB2 ALA 21 HB2 ALA 21 2.655 -2.688 8.054 120 HB3 ALA 21 HB3 ALA 21 2.778 -1.940 9.648 121 HA PRO 22 HA PRO 22 6.239 -0.695 4.632 122 HB2 PRO 22 HB3 PRO 22 8.420 -2.241 5.495 123 HB3 PRO 22 HB2 PRO 22 8.345 -0.472 5.570 124 HG2 PRO 22 HG3 PRO 22 7.801 -2.459 7.746 125 HG3 PRO 22 HG2 PRO 22 8.674 -0.911 7.820 126 HD2 PRO 22 HD3 PRO 22 6.148 -1.090 8.711 127 HD3 PRO 22 HD2 PRO 22 6.703 0.361 7.863 128 H SER 23 H SER 23 5.324 -3.331 6.750 129 HA SER 23 HA SER 23 5.424 -5.545 5.063 130 HB2 SER 23 HB3 SER 23 3.268 -4.838 7.107 131 HB3 SER 23 HB2 SER 23 3.587 -6.454 6.472 132 HG SER 23 HG SER 23 4.947 -6.608 8.052 133 H ILE 24 H ILE 24 3.058 -2.902 5.263 134 HA ILE 24 HA ILE 24 1.243 -4.053 3.296 135 HB ILE 24 HB ILE 24 1.173 -1.213 4.421 136 HG12 ILE 24 HG13 ILE 24 1.130 -2.667 6.390 137 HG13 ILE 24 HG12 ILE 24 -0.481 -1.997 6.099 138 HG21 ILE 24 HG21 ILE 24 -0.237 -1.591 2.481 139 HG22 ILE 24 HG22 ILE 24 -1.236 -1.396 3.916 140 HG23 ILE 24 HG23 ILE 24 -0.972 -3.005 3.242 141 HD11 ILE 24 HD11 ILE 24 0.412 -4.819 5.454 142 HD12 ILE 24 HD12 ILE 24 -1.195 -4.149 5.160 143 HD13 ILE 24 HD13 ILE 24 -0.600 -4.317 6.810 144 H CYS 25 H CYS 25 3.590 -1.412 3.560 145 HA CYS 25 HA CYS 25 3.058 -0.084 1.130 146 HB2 CYS 25 HB3 CYS 25 5.625 -0.110 2.755 147 HB3 CYS 25 HB2 CYS 25 5.106 1.155 1.648 148 H ALA 26 H ALA 26 5.219 -2.764 1.934 149 HA ALA 26 HA ALA 26 6.642 -2.905 -0.531 150 HB1 ALA 26 HB1 ALA 26 6.022 -5.130 1.444 151 HB2 ALA 26 HB2 ALA 26 7.409 -4.042 1.515 152 HB3 ALA 26 HB3 ALA 26 7.253 -5.177 0.175 153 H GLY 27 H GLY 27 3.427 -3.865 0.388 154 HA2 GLY 27 HA3 GLY 27 2.944 -5.713 -1.786 155 HA3 GLY 27 HA2 GLY 27 1.760 -5.058 -0.665 156 H TRP 28 H TRP 28 2.016 -2.346 -1.031 157 HA TRP 28 HA TRP 28 0.615 -1.944 -3.526 158 HB2 TRP 28 HB3 TRP 28 1.496 0.071 -1.414 159 HB3 TRP 28 HB2 TRP 28 0.431 0.432 -2.768 160 HD1 TRP 28 HD1 TRP 28 0.282 -0.519 0.772 161 HE1 TRP 28 HE1 TRP 28 -2.072 -1.312 1.420 162 HE3 TRP 28 HE3 TRP 28 -1.712 -1.163 -3.908 163 HZ2 TRP 28 HZ2 TRP 28 -4.434 -2.107 0.152 164 HZ3 TRP 28 HZ3 TRP 28 -4.032 -1.972 -4.099 165 HH2 TRP 28 HH2 TRP 28 -5.369 -2.434 -2.104 166 H CYS 29 H CYS 29 3.461 -0.297 -2.141 167 HA CYS 29 HA CYS 29 4.151 1.032 -4.559 168 HB2 CYS 29 HB3 CYS 29 5.612 0.670 -1.927 169 HB3 CYS 29 HB2 CYS 29 6.185 1.713 -3.232 170 H GLY 30 H GLY 30 5.223 -1.965 -3.060 171 HA2 GLY 30 HA3 GLY 30 7.557 -2.238 -4.780 172 HA3 GLY 30 HA2 GLY 30 7.058 -3.317 -3.484 173 H GLY 31 H GLY 31 7.597 -4.986 -5.026 174 HA2 GLY 31 HA3 GLY 31 5.620 -6.494 -6.040 175 HA3 GLY 31 HA2 GLY 31 5.909 -5.384 -7.379 176 H SER 32 H SER 32 6.367 -8.328 -7.172 177 HA SER 32 HA SER 32 9.103 -8.400 -8.210 178 HB2 SER 32 HB3 SER 32 9.296 -8.942 -5.758 179 HB3 SER 32 HB2 SER 32 8.190 -10.297 -5.983 180 HG SER 32 HG SER 32 10.646 -9.989 -7.379 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 -6.294 -2.505 8.670 2 H2 SER 1 HT2 SER 1 -4.898 -1.597 8.956 3 H3 SER 1 HT3 SER 1 -4.900 -3.262 9.257 4 HA SER 1 HA SER 1 -3.726 -2.740 7.222 5 HB2 SER 1 HB3 SER 1 -4.935 -4.912 7.421 6 HB3 SER 1 HB2 SER 1 -6.386 -4.170 6.750 7 HG SER 1 HG SER 1 -5.387 -3.988 4.786 8 H CYS 2 H CYS 2 -3.838 -1.957 5.022 9 HA CYS 2 HA CYS 2 -5.229 0.498 4.693 10 HB2 CYS 2 HB3 CYS 2 -3.601 -1.195 2.787 11 HB3 CYS 2 HB2 CYS 2 -4.305 0.311 2.318 12 H GLY 3 H GLY 3 -6.597 0.976 2.780 13 HA2 GLY 3 HA3 GLY 3 -8.847 -0.945 2.669 14 HA3 GLY 3 HA2 GLY 3 -8.945 0.805 2.607 15 H SER 4 H SER 4 -6.469 -0.638 0.710 16 HA SER 4 HA SER 4 -6.018 -0.660 -1.464 17 HB2 SER 4 HB3 SER 4 -9.008 -0.806 -2.016 18 HB3 SER 4 HB2 SER 4 -7.713 -1.283 -3.120 19 HG SER 4 HG SER 4 -8.473 -2.497 -0.676 20 H GLU 5 H GLU 5 -6.859 1.796 0.075 21 HA GLU 5 HA GLU 5 -7.614 3.708 -2.023 22 HB2 GLU 5 HB3 GLU 5 -7.265 4.000 0.990 23 HB3 GLU 5 HB2 GLU 5 -7.856 5.271 -0.082 24 HG2 GLU 5 HG3 GLU 5 -9.878 4.037 -0.558 25 HG3 GLU 5 HG2 GLU 5 -9.259 2.597 0.247 26 H CYS 6 H CYS 6 -4.917 2.575 -0.159 27 HA CYS 6 HA CYS 6 -3.117 4.638 -1.205 28 HB2 CYS 6 HB3 CYS 6 -2.824 2.492 0.913 29 HB3 CYS 6 HB2 CYS 6 -1.485 3.443 0.314 30 H ALA 7 H ALA 7 -4.272 2.951 -3.061 31 HA ALA 7 HA ALA 7 -1.848 1.684 -4.195 32 HB1 ALA 7 HB1 ALA 7 -3.704 0.129 -3.812 33 HB2 ALA 7 HB2 ALA 7 -3.328 0.285 -5.528 34 HB3 ALA 7 HB3 ALA 7 -4.738 1.109 -4.852 35 HA PRO 8 HA PRO 8 -3.940 4.856 -7.466 36 HB2 PRO 8 HB3 PRO 8 -2.812 7.311 -6.148 37 HB3 PRO 8 HB2 PRO 8 -4.408 7.054 -6.867 38 HG2 PRO 8 HG3 PRO 8 -4.115 7.237 -4.223 39 HG3 PRO 8 HG2 PRO 8 -5.273 6.084 -4.931 40 HD2 PRO 8 HD3 PRO 8 -2.485 5.525 -3.888 41 HD3 PRO 8 HD2 PRO 8 -3.997 4.645 -3.605 42 H GLU 9 H GLU 9 -1.046 5.704 -5.642 43 HA GLU 9 HA GLU 9 0.296 6.798 -7.919 44 HB2 GLU 9 HB3 GLU 9 1.048 6.482 -4.984 45 HB3 GLU 9 HB2 GLU 9 2.019 7.339 -6.167 46 HG2 GLU 9 HG3 GLU 9 -0.778 8.090 -5.274 47 HG3 GLU 9 HG2 GLU 9 0.716 8.894 -4.794 48 HA PRO 10 HA PRO 10 3.170 3.287 -8.635 49 HB2 PRO 10 HB3 PRO 10 5.495 4.760 -9.155 50 HB3 PRO 10 HB2 PRO 10 4.243 4.427 -10.367 51 HG2 PRO 10 HG3 PRO 10 4.630 6.891 -8.693 52 HG3 PRO 10 HG2 PRO 10 4.230 6.752 -10.423 53 HD2 PRO 10 HD3 PRO 10 2.317 7.303 -8.636 54 HD3 PRO 10 HD2 PRO 10 1.988 6.220 -10.008 55 H ASP 11 H ASP 11 4.214 6.087 -6.687 56 HA ASP 11 HA ASP 11 5.496 4.361 -4.692 57 HB2 ASP 11 HB3 ASP 11 6.640 6.478 -5.342 58 HB3 ASP 11 HB2 ASP 11 5.248 7.409 -4.797 59 H CYS 12 H CYS 12 3.376 3.333 -4.386 60 HA CYS 12 HA CYS 12 1.266 4.666 -2.963 61 HB2 CYS 12 HB3 CYS 12 0.364 2.508 -2.606 62 HB3 CYS 12 HB2 CYS 12 1.037 2.465 -4.223 63 H TRP 13 H TRP 13 4.340 3.299 -2.122 64 HA TRP 13 HA TRP 13 4.261 2.532 0.487 65 HB2 TRP 13 HB3 TRP 13 6.415 4.273 -0.758 66 HB3 TRP 13 HB2 TRP 13 6.599 3.215 0.570 67 HD1 TRP 13 HD1 TRP 13 6.722 3.284 -3.150 68 HE1 TRP 13 HE1 TRP 13 7.400 0.964 -4.052 69 HE3 TRP 13 HE3 TRP 13 6.372 0.678 1.154 70 HZ2 TRP 13 HZ2 TRP 13 7.753 -1.659 -3.026 71 HZ3 TRP 13 HZ3 TRP 13 6.893 -1.750 1.163 72 HH2 TRP 13 HH2 TRP 13 7.570 -2.892 -0.898 73 H GLY 14 H GLY 14 4.202 5.767 -0.845 74 HA2 GLY 14 HA3 GLY 14 4.822 7.259 1.523 75 HA3 GLY 14 HA2 GLY 14 4.069 7.889 0.063 76 H CYS 15 H CYS 15 1.862 6.108 0.085 77 HA CYS 15 HA CYS 15 0.038 7.579 1.798 78 HB2 CYS 15 HB3 CYS 15 -0.447 6.869 -0.589 79 HB3 CYS 15 HB2 CYS 15 -0.532 5.221 -0.047 80 H CYS 16 H CYS 16 1.276 4.362 1.433 81 HA CYS 16 HA CYS 16 -0.639 3.112 3.186 82 HB2 CYS 16 HB3 CYS 16 -0.208 1.937 1.223 83 HB3 CYS 16 HB2 CYS 16 1.512 2.200 1.296 84 H LEU 17 H LEU 17 2.934 3.387 3.119 85 HA LEU 17 HA LEU 17 3.497 1.893 5.397 86 HB2 LEU 17 HB3 LEU 17 5.042 4.093 4.026 87 HB3 LEU 17 HB2 LEU 17 5.694 3.301 5.456 88 HG LEU 17 HG LEU 17 5.036 1.937 2.811 89 HD11 LEU 17 HD11 LEU 17 7.060 3.297 2.672 90 HD12 LEU 17 HD12 LEU 17 7.460 1.582 2.630 91 HD13 LEU 17 HD13 LEU 17 7.712 2.508 4.112 92 HD21 LEU 17 HD21 LEU 17 4.613 0.411 4.680 93 HD22 LEU 17 HD22 LEU 17 6.215 0.748 5.341 94 HD23 LEU 17 HD23 LEU 17 6.052 -0.073 3.788 95 H VAL 18 H VAL 18 2.158 5.093 5.419 96 HA VAL 18 HA VAL 18 3.232 5.872 7.990 97 HB VAL 18 HB VAL 18 2.637 7.631 6.410 98 HG11 VAL 18 HG11 VAL 18 0.311 8.143 5.765 99 HG12 VAL 18 HG12 VAL 18 -0.245 6.696 6.610 100 HG13 VAL 18 HG13 VAL 18 0.807 6.544 5.203 101 HG21 VAL 18 HG21 VAL 18 0.765 7.737 8.814 102 HG22 VAL 18 HG22 VAL 18 1.301 9.123 7.857 103 HG23 VAL 18 HG23 VAL 18 2.469 8.208 8.808 104 H GLN 19 H GLN 19 0.514 3.994 6.935 105 HA GLN 19 HA GLN 19 -0.484 3.694 9.698 106 HB2 GLN 19 HB3 GLN 19 -2.861 3.723 8.621 107 HB3 GLN 19 HB2 GLN 19 -2.037 5.247 8.880 108 HG2 GLN 19 HG3 GLN 19 -2.886 5.527 6.741 109 HG3 GLN 19 HG2 GLN 19 -1.247 5.017 6.419 110 HE21 GLN 19 HE21 GLN 19 -1.723 4.311 4.386 111 HE22 GLN 19 HE22 GLN 19 -2.683 2.907 4.065 112 H CYS 20 H CYS 20 0.749 2.157 7.081 113 HA CYS 20 HA CYS 20 -0.272 -0.471 7.938 114 HB2 CYS 20 HB3 CYS 20 0.076 0.362 5.030 115 HB3 CYS 20 HB2 CYS 20 -0.287 -1.260 5.582 116 H ALA 21 H ALA 21 1.147 -2.216 6.793 117 HA ALA 21 HA ALA 21 3.968 -1.643 7.392 118 HB1 ALA 21 HB1 ALA 21 4.149 -4.114 7.587 119 HB2 ALA 21 HB2 ALA 21 2.452 -4.276 7.124 120 HB3 ALA 21 HB3 ALA 21 2.881 -3.477 8.637 121 HA PRO 22 HA PRO 22 5.316 -2.160 3.071 122 HB2 PRO 22 HB3 PRO 22 7.479 -3.945 3.400 123 HB3 PRO 22 HB2 PRO 22 7.562 -2.183 3.573 124 HG2 PRO 22 HG3 PRO 22 7.309 -4.268 5.701 125 HG3 PRO 22 HG2 PRO 22 8.257 -2.762 5.698 126 HD2 PRO 22 HD3 PRO 22 5.935 -2.932 7.041 127 HD3 PRO 22 HD2 PRO 22 6.401 -1.437 6.214 128 H SER 23 H SER 23 4.474 -4.969 4.995 129 HA SER 23 HA SER 23 4.237 -6.920 2.989 130 HB2 SER 23 HB3 SER 23 2.488 -7.925 4.534 131 HB3 SER 23 HB2 SER 23 4.019 -7.541 5.326 132 HG SER 23 HG SER 23 2.785 -6.493 6.661 133 H ILE 24 H ILE 24 2.042 -4.316 4.001 134 HA ILE 24 HA ILE 24 -0.116 -5.023 2.231 135 HB ILE 24 HB ILE 24 0.468 -2.441 3.760 136 HG12 ILE 24 HG13 ILE 24 -0.039 -4.158 5.387 137 HG13 ILE 24 HG12 ILE 24 -1.483 -3.144 5.213 138 HG21 ILE 24 HG21 ILE 24 -0.922 -1.913 1.853 139 HG22 ILE 24 HG22 ILE 24 -1.876 -1.806 3.329 140 HG23 ILE 24 HG23 ILE 24 -2.051 -3.205 2.268 141 HD11 ILE 24 HD11 ILE 24 -2.510 -4.871 3.805 142 HD12 ILE 24 HD12 ILE 24 -2.074 -5.481 5.399 143 HD13 ILE 24 HD13 ILE 24 -1.079 -5.888 4.004 144 H CYS 25 H CYS 25 2.305 -2.416 2.347 145 HA CYS 25 HA CYS 25 1.449 -0.984 0.104 146 HB2 CYS 25 HB3 CYS 25 4.286 -0.973 1.150 147 HB3 CYS 25 HB2 CYS 25 3.394 0.355 0.420 148 H ALA 26 H ALA 26 3.671 -3.689 0.362 149 HA ALA 26 HA ALA 26 4.966 -3.527 -2.137 150 HB1 ALA 26 HB1 ALA 26 4.248 -6.015 -0.549 151 HB2 ALA 26 HB2 ALA 26 5.693 -5.026 -0.331 152 HB3 ALA 26 HB3 ALA 26 5.457 -5.917 -1.835 153 H GLY 27 H GLY 27 1.777 -4.755 -1.246 154 HA2 GLY 27 HA3 GLY 27 1.323 -6.221 -3.712 155 HA3 GLY 27 HA2 GLY 27 0.178 -5.964 -2.405 156 H TRP 28 H TRP 28 0.851 -2.978 -2.625 157 HA TRP 28 HA TRP 28 -1.199 -2.384 -4.653 158 HB2 TRP 28 HB3 TRP 28 -0.083 -0.671 -2.400 159 HB3 TRP 28 HB2 TRP 28 -1.400 -0.205 -3.472 160 HD1 TRP 28 HD1 TRP 28 -1.095 -1.199 -0.110 161 HE1 TRP 28 HE1 TRP 28 -3.157 -2.459 0.782 162 HE3 TRP 28 HE3 TRP 28 -3.252 -2.541 -4.564 163 HZ2 TRP 28 HZ2 TRP 28 -5.350 -3.873 -0.243 164 HZ3 TRP 28 HZ3 TRP 28 -5.321 -3.869 -4.514 165 HH2 TRP 28 HH2 TRP 28 -6.350 -4.521 -2.397 166 H CYS 29 H CYS 29 2.123 -1.574 -3.773 167 HA CYS 29 HA CYS 29 2.526 0.363 -5.859 168 HB2 CYS 29 HB3 CYS 29 4.304 -1.021 -3.868 169 HB3 CYS 29 HB2 CYS 29 5.030 -0.135 -5.207 170 H GLY 30 H GLY 30 4.107 -2.802 -5.324 171 HA2 GLY 30 HA3 GLY 30 3.895 -3.637 -8.038 172 HA3 GLY 30 HA2 GLY 30 5.480 -2.962 -7.702 173 H GLY 31 H GLY 31 6.407 -3.753 -5.553 174 HA2 GLY 31 HA3 GLY 31 5.749 -6.335 -4.530 175 HA3 GLY 31 HA2 GLY 31 7.112 -6.426 -5.651 176 H SER 32 H SER 32 7.692 -7.195 -3.208 177 HA SER 32 HA SER 32 8.832 -4.934 -1.702 178 HB2 SER 32 HB3 SER 32 9.251 -6.753 0.049 179 HB3 SER 32 HB2 SER 32 7.558 -6.417 -0.313 180 HG SER 32 HG SER 32 9.103 -8.558 -1.361 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 -6.180 -4.632 8.192 2 H2 SER 1 HT2 SER 1 -4.842 -4.145 9.100 3 H3 SER 1 HT3 SER 1 -5.056 -5.777 8.723 4 HA SER 1 HA SER 1 -3.345 -4.767 7.352 5 HB2 SER 1 HB3 SER 1 -4.757 -6.653 6.482 6 HB3 SER 1 HB2 SER 1 -5.880 -5.481 5.797 7 HG SER 1 HG SER 1 -4.590 -5.878 4.127 8 H CYS 2 H CYS 2 -3.461 -3.551 4.984 9 HA CYS 2 HA CYS 2 -4.012 -0.786 5.534 10 HB2 CYS 2 HB3 CYS 2 -2.192 -1.861 3.967 11 HB3 CYS 2 HB2 CYS 2 -3.438 -1.861 2.758 12 H GLY 3 H GLY 3 -5.249 0.538 3.898 13 HA2 GLY 3 HA3 GLY 3 -7.955 -0.516 3.508 14 HA3 GLY 3 HA2 GLY 3 -7.405 1.150 3.326 15 H SER 4 H SER 4 -5.238 -0.805 1.688 16 HA SER 4 HA SER 4 -4.515 -0.654 -0.441 17 HB2 SER 4 HB3 SER 4 -7.436 -0.546 -1.292 18 HB3 SER 4 HB2 SER 4 -6.058 -1.009 -2.299 19 HG SER 4 HG SER 4 -7.314 -2.404 -0.209 20 H GLU 5 H GLU 5 -5.118 1.659 1.268 21 HA GLU 5 HA GLU 5 -6.532 3.692 -0.226 22 HB2 GLU 5 HB3 GLU 5 -6.484 3.342 2.342 23 HB3 GLU 5 HB2 GLU 5 -4.877 4.057 2.320 24 HG2 GLU 5 HG3 GLU 5 -6.393 5.774 2.959 25 HG3 GLU 5 HG2 GLU 5 -5.903 6.132 1.304 26 H CYS 6 H CYS 6 -3.269 3.252 0.973 27 HA CYS 6 HA CYS 6 -2.183 5.135 -1.006 28 HB2 CYS 6 HB3 CYS 6 -1.217 4.105 1.656 29 HB3 CYS 6 HB2 CYS 6 -0.175 4.946 0.531 30 H ALA 7 H ALA 7 -3.008 2.757 -1.990 31 HA ALA 7 HA ALA 7 -0.654 1.206 -2.692 32 HB1 ALA 7 HB1 ALA 7 -2.854 0.132 -2.461 33 HB2 ALA 7 HB2 ALA 7 -2.187 -0.081 -4.085 34 HB3 ALA 7 HB3 ALA 7 -3.464 1.107 -3.799 35 HA PRO 8 HA PRO 8 -2.104 3.423 -6.935 36 HB2 PRO 8 HB3 PRO 8 -1.873 6.336 -6.247 37 HB3 PRO 8 HB2 PRO 8 -3.168 5.473 -7.085 38 HG2 PRO 8 HG3 PRO 8 -3.523 6.382 -4.599 39 HG3 PRO 8 HG2 PRO 8 -4.206 4.809 -5.085 40 HD2 PRO 8 HD3 PRO 8 -1.638 5.352 -3.558 41 HD3 PRO 8 HD2 PRO 8 -2.956 4.201 -3.209 42 H GLU 9 H GLU 9 0.166 5.442 -5.050 43 HA GLU 9 HA GLU 9 1.578 6.356 -7.328 44 HB2 GLU 9 HB3 GLU 9 2.132 6.577 -4.334 45 HB3 GLU 9 HB2 GLU 9 3.036 7.434 -5.568 46 HG2 GLU 9 HG3 GLU 9 0.074 7.771 -5.000 47 HG3 GLU 9 HG2 GLU 9 1.347 8.870 -4.474 48 HA PRO 10 HA PRO 10 5.170 3.434 -7.265 49 HB2 PRO 10 HB3 PRO 10 7.187 5.251 -7.887 50 HB3 PRO 10 HB2 PRO 10 6.119 4.517 -9.101 51 HG2 PRO 10 HG3 PRO 10 5.902 7.210 -7.786 52 HG3 PRO 10 HG2 PRO 10 5.696 6.778 -9.498 53 HD2 PRO 10 HD3 PRO 10 3.573 7.183 -7.918 54 HD3 PRO 10 HD2 PRO 10 3.552 5.912 -9.166 55 H ASP 11 H ASP 11 5.151 6.555 -5.670 56 HA ASP 11 HA ASP 11 6.898 5.697 -3.472 57 HB2 ASP 11 HB3 ASP 11 6.731 8.116 -2.778 58 HB3 ASP 11 HB2 ASP 11 7.406 7.888 -4.385 59 H CYS 12 H CYS 12 4.250 4.558 -3.902 60 HA CYS 12 HA CYS 12 2.210 5.208 -2.169 61 HB2 CYS 12 HB3 CYS 12 2.160 2.548 -1.965 62 HB3 CYS 12 HB2 CYS 12 1.761 3.350 -3.481 63 H TRP 13 H TRP 13 5.365 3.756 -1.402 64 HA TRP 13 HA TRP 13 5.110 2.841 1.164 65 HB2 TRP 13 HB3 TRP 13 7.473 4.381 0.038 66 HB3 TRP 13 HB2 TRP 13 7.498 3.312 1.368 67 HD1 TRP 13 HD1 TRP 13 7.576 3.311 -2.378 68 HE1 TRP 13 HE1 TRP 13 8.157 0.934 -3.204 69 HE3 TRP 13 HE3 TRP 13 7.147 0.893 2.021 70 HZ2 TRP 13 HZ2 TRP 13 8.399 -1.654 -2.081 71 HZ3 TRP 13 HZ3 TRP 13 7.558 -1.554 2.113 72 HH2 TRP 13 HH2 TRP 13 8.171 -2.797 0.089 73 H GLY 14 H GLY 14 5.486 6.122 0.027 74 HA2 GLY 14 HA3 GLY 14 5.881 7.301 2.709 75 HA3 GLY 14 HA2 GLY 14 6.004 8.142 1.164 76 H CYS 15 H CYS 15 3.520 6.174 2.654 77 HA CYS 15 HA CYS 15 1.439 8.100 2.832 78 HB2 CYS 15 HB3 CYS 15 1.834 7.600 0.287 79 HB3 CYS 15 HB2 CYS 15 1.113 6.057 0.597 80 H CYS 16 H CYS 16 2.383 4.771 2.231 81 HA CYS 16 HA CYS 16 0.011 3.535 3.307 82 HB2 CYS 16 HB3 CYS 16 1.099 2.660 1.351 83 HB3 CYS 16 HB2 CYS 16 2.620 2.490 2.187 84 H LEU 17 H LEU 17 3.459 3.754 4.288 85 HA LEU 17 HA LEU 17 3.053 1.989 6.537 86 HB2 LEU 17 HB3 LEU 17 5.436 3.660 5.711 87 HB3 LEU 17 HB2 LEU 17 5.426 2.641 7.141 88 HG LEU 17 HG LEU 17 4.690 0.755 5.413 89 HD11 LEU 17 HD11 LEU 17 4.508 2.198 3.465 90 HD12 LEU 17 HD12 LEU 17 5.738 0.959 3.233 91 HD13 LEU 17 HD13 LEU 17 6.218 2.622 3.593 92 HD21 LEU 17 HD21 LEU 17 7.039 0.125 5.115 93 HD22 LEU 17 HD22 LEU 17 6.646 0.598 6.768 94 HD23 LEU 17 HD23 LEU 17 7.534 1.714 5.718 95 H VAL 18 H VAL 18 1.776 4.924 6.430 96 HA VAL 18 HA VAL 18 2.357 5.579 9.267 97 HB VAL 18 HB VAL 18 2.246 7.503 7.706 98 HG11 VAL 18 HG11 VAL 18 0.155 8.196 6.628 99 HG12 VAL 18 HG12 VAL 18 -0.655 6.744 7.225 100 HG13 VAL 18 HG13 VAL 18 0.666 6.606 6.065 101 HG21 VAL 18 HG21 VAL 18 -0.087 7.517 9.664 102 HG22 VAL 18 HG22 VAL 18 0.702 8.946 8.981 103 HG23 VAL 18 HG23 VAL 18 1.600 7.875 10.057 104 H GLN 19 H GLN 19 0.358 3.604 7.463 105 HA GLN 19 HA GLN 19 -1.707 3.341 9.519 106 HB2 GLN 19 HB3 GLN 19 -3.488 3.621 7.765 107 HB3 GLN 19 HB2 GLN 19 -2.583 5.084 8.068 108 HG2 GLN 19 HG3 GLN 19 -1.219 4.583 6.059 109 HG3 GLN 19 HG2 GLN 19 -2.253 3.213 5.711 110 HE21 GLN 19 HE21 GLN 19 -1.673 5.650 4.188 111 HE22 GLN 19 HE22 GLN 19 -3.208 6.366 3.845 112 H CYS 20 H CYS 20 0.439 1.867 7.390 113 HA CYS 20 HA CYS 20 -0.866 -0.739 7.621 114 HB2 CYS 20 HB3 CYS 20 0.316 -0.180 4.904 115 HB3 CYS 20 HB2 CYS 20 -1.018 -1.174 5.349 116 H ALA 21 H ALA 21 0.690 -2.508 7.275 117 HA ALA 21 HA ALA 21 3.295 -1.912 8.342 118 HB1 ALA 21 HB1 ALA 21 2.041 -3.909 9.079 119 HB2 ALA 21 HB2 ALA 21 3.591 -4.367 8.371 120 HB3 ALA 21 HB3 ALA 21 2.105 -4.565 7.440 121 HA PRO 22 HA PRO 22 5.799 -1.811 4.500 122 HB2 PRO 22 HB3 PRO 22 7.923 -3.469 5.417 123 HB3 PRO 22 HB2 PRO 22 7.818 -1.711 5.621 124 HG2 PRO 22 HG3 PRO 22 7.074 -3.874 7.557 125 HG3 PRO 22 HG2 PRO 22 7.885 -2.318 7.852 126 HD2 PRO 22 HD3 PRO 22 5.314 -2.583 8.456 127 HD3 PRO 22 HD2 PRO 22 5.878 -1.092 7.696 128 H SER 23 H SER 23 5.062 -4.910 6.072 129 HA SER 23 HA SER 23 5.627 -6.628 3.908 130 HB2 SER 23 HB3 SER 23 3.494 -6.974 6.059 131 HB3 SER 23 HB2 SER 23 4.237 -8.260 5.097 132 HG SER 23 HG SER 23 5.084 -7.774 7.326 133 H ILE 24 H ILE 24 2.803 -4.658 4.727 134 HA ILE 24 HA ILE 24 1.024 -5.814 2.745 135 HB ILE 24 HB ILE 24 0.616 -3.133 4.157 136 HG12 ILE 24 HG13 ILE 24 1.182 -4.791 5.908 137 HG13 ILE 24 HG12 ILE 24 -0.486 -4.240 6.010 138 HG21 ILE 24 HG21 ILE 24 -0.982 -3.659 2.386 139 HG22 ILE 24 HG22 ILE 24 -1.774 -3.699 3.960 140 HG23 ILE 24 HG23 ILE 24 -1.356 -5.210 3.144 141 HD11 ILE 24 HD11 ILE 24 0.446 -6.911 4.916 142 HD12 ILE 24 HD12 ILE 24 -1.232 -6.373 5.008 143 HD13 ILE 24 HD13 ILE 24 -0.304 -6.624 6.486 144 H CYS 25 H CYS 25 2.785 -2.774 3.218 145 HA CYS 25 HA CYS 25 2.026 -1.393 0.897 146 HB2 CYS 25 HB3 CYS 25 4.623 -1.104 2.451 147 HB3 CYS 25 HB2 CYS 25 3.873 0.119 1.439 148 H ALA 26 H ALA 26 4.735 -3.600 1.536 149 HA ALA 26 HA ALA 26 6.072 -3.415 -0.939 150 HB1 ALA 26 HB1 ALA 26 7.035 -4.545 1.019 151 HB2 ALA 26 HB2 ALA 26 7.042 -5.606 -0.391 152 HB3 ALA 26 HB3 ALA 26 5.837 -5.833 0.881 153 H GLY 27 H GLY 27 3.125 -5.064 -0.035 154 HA2 GLY 27 HA3 GLY 27 2.943 -6.849 -2.292 155 HA3 GLY 27 HA2 GLY 27 1.667 -6.459 -1.148 156 H TRP 28 H TRP 28 1.639 -3.662 -1.474 157 HA TRP 28 HA TRP 28 0.005 -3.399 -3.834 158 HB2 TRP 28 HB3 TRP 28 0.919 -1.254 -1.860 159 HB3 TRP 28 HB2 TRP 28 -0.362 -1.072 -3.058 160 HD1 TRP 28 HD1 TRP 28 -0.027 -1.665 0.489 161 HE1 TRP 28 HE1 TRP 28 -2.109 -2.797 1.473 162 HE3 TRP 28 HE3 TRP 28 -2.233 -3.316 -3.844 163 HZ2 TRP 28 HZ2 TRP 28 -4.347 -4.228 0.579 164 HZ3 TRP 28 HZ3 TRP 28 -4.339 -4.585 -3.677 165 HH2 TRP 28 HH2 TRP 28 -5.376 -5.033 -1.509 166 H CYS 29 H CYS 29 3.097 -1.995 -2.753 167 HA CYS 29 HA CYS 29 3.530 -0.378 -5.058 168 HB2 CYS 29 HB3 CYS 29 5.488 -1.314 -2.919 169 HB3 CYS 29 HB2 CYS 29 5.801 -0.037 -4.093 170 H GLY 30 H GLY 30 5.240 -3.368 -3.960 171 HA2 GLY 30 HA3 GLY 30 6.411 -3.606 -6.682 172 HA3 GLY 30 HA2 GLY 30 7.209 -4.100 -5.202 173 H GLY 31 H GLY 31 4.213 -5.150 -4.622 174 HA2 GLY 31 HA3 GLY 31 4.949 -7.897 -5.050 175 HA3 GLY 31 HA2 GLY 31 3.458 -7.314 -4.328 176 H SER 32 H SER 32 2.529 -5.723 -6.443 177 HA SER 32 HA SER 32 2.335 -7.387 -8.839 178 HB2 SER 32 HB3 SER 32 -0.243 -7.160 -8.714 179 HB3 SER 32 HB2 SER 32 0.508 -8.336 -7.637 180 HG SER 32 HG SER 32 -0.052 -5.691 -6.777 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 -4.985 -8.027 5.727 2 H2 SER 1 HT2 SER 1 -6.299 -7.130 5.155 3 H3 SER 1 HT3 SER 1 -5.697 -6.849 6.707 4 HA SER 1 HA SER 1 -3.622 -6.046 5.820 5 HB2 SER 1 HB3 SER 1 -3.601 -7.435 3.757 6 HB3 SER 1 HB2 SER 1 -4.960 -6.518 3.108 7 HG SER 1 HG SER 1 -2.477 -6.001 2.694 8 H CYS 2 H CYS 2 -3.497 -3.824 4.488 9 HA CYS 2 HA CYS 2 -5.456 -2.066 5.655 10 HB2 CYS 2 HB3 CYS 2 -3.193 -1.395 3.734 11 HB3 CYS 2 HB2 CYS 2 -4.068 -0.270 4.763 12 H GLY 3 H GLY 3 -5.855 -0.077 3.824 13 HA2 GLY 3 HA3 GLY 3 -8.264 -1.191 2.690 14 HA3 GLY 3 HA2 GLY 3 -7.813 0.500 2.774 15 H SER 4 H SER 4 -5.192 -0.709 1.372 16 HA SER 4 HA SER 4 -4.292 -0.819 -0.667 17 HB2 SER 4 HB3 SER 4 -7.076 -1.302 -1.815 18 HB3 SER 4 HB2 SER 4 -5.529 -1.677 -2.588 19 HG SER 4 HG SER 4 -6.482 -2.822 -0.163 20 H GLU 5 H GLU 5 -5.984 1.588 0.485 21 HA GLU 5 HA GLU 5 -6.611 3.255 -1.776 22 HB2 GLU 5 HB3 GLU 5 -7.861 3.464 0.344 23 HB3 GLU 5 HB2 GLU 5 -6.380 3.864 1.203 24 HG2 GLU 5 HG3 GLU 5 -6.195 5.961 -0.149 25 HG3 GLU 5 HG2 GLU 5 -7.735 5.572 -0.914 26 H CYS 6 H CYS 6 -3.955 2.857 0.486 27 HA CYS 6 HA CYS 6 -2.320 4.956 -0.698 28 HB2 CYS 6 HB3 CYS 6 -2.018 3.070 1.647 29 HB3 CYS 6 HB2 CYS 6 -0.702 4.060 1.067 30 H ALA 7 H ALA 7 -3.075 2.865 -2.458 31 HA ALA 7 HA ALA 7 -0.394 1.872 -3.235 32 HB1 ALA 7 HB1 ALA 7 -1.898 0.074 -2.511 33 HB2 ALA 7 HB2 ALA 7 -1.499 -0.065 -4.223 34 HB3 ALA 7 HB3 ALA 7 -3.073 0.563 -3.731 35 HA PRO 8 HA PRO 8 -2.432 4.115 -7.121 36 HB2 PRO 8 HB3 PRO 8 -1.304 6.758 -6.309 37 HB3 PRO 8 HB2 PRO 8 -2.916 6.375 -6.909 38 HG2 PRO 8 HG3 PRO 8 -2.434 7.109 -4.353 39 HG3 PRO 8 HG2 PRO 8 -3.771 6.022 -4.804 40 HD2 PRO 8 HD3 PRO 8 -1.106 5.325 -3.594 41 HD3 PRO 8 HD2 PRO 8 -2.710 4.637 -3.294 42 H GLU 9 H GLU 9 0.344 5.278 -5.278 43 HA GLU 9 HA GLU 9 1.853 5.928 -7.630 44 HB2 GLU 9 HB3 GLU 9 2.541 6.183 -4.662 45 HB3 GLU 9 HB2 GLU 9 3.350 6.986 -5.994 46 HG2 GLU 9 HG3 GLU 9 1.234 8.248 -6.466 47 HG3 GLU 9 HG2 GLU 9 0.509 7.472 -5.065 48 HA PRO 10 HA PRO 10 5.009 2.549 -7.004 49 HB2 PRO 10 HB3 PRO 10 7.300 3.940 -7.654 50 HB3 PRO 10 HB2 PRO 10 6.161 3.373 -8.895 51 HG2 PRO 10 HG3 PRO 10 6.328 6.108 -7.614 52 HG3 PRO 10 HG2 PRO 10 6.258 5.684 -9.353 53 HD2 PRO 10 HD3 PRO 10 4.047 6.441 -8.070 54 HD3 PRO 10 HD2 PRO 10 3.975 5.123 -9.266 55 H ASP 11 H ASP 11 5.013 5.728 -5.659 56 HA ASP 11 HA ASP 11 6.859 5.196 -3.460 57 HB2 ASP 11 HB3 ASP 11 5.295 7.752 -4.078 58 HB3 ASP 11 HB2 ASP 11 6.720 7.591 -3.069 59 H CYS 12 H CYS 12 4.633 3.550 -3.299 60 HA CYS 12 HA CYS 12 2.352 4.626 -1.985 61 HB2 CYS 12 HB3 CYS 12 1.675 2.399 -1.641 62 HB3 CYS 12 HB2 CYS 12 2.531 2.357 -3.169 63 H TRP 13 H TRP 13 5.483 3.568 -0.841 64 HA TRP 13 HA TRP 13 5.252 3.117 1.837 65 HB2 TRP 13 HB3 TRP 13 7.354 4.854 0.498 66 HB3 TRP 13 HB2 TRP 13 7.523 4.015 1.980 67 HD1 TRP 13 HD1 TRP 13 8.223 3.660 -1.605 68 HE1 TRP 13 HE1 TRP 13 9.062 1.280 -2.136 69 HE3 TRP 13 HE3 TRP 13 7.044 1.457 2.771 70 HZ2 TRP 13 HZ2 TRP 13 9.199 -1.239 -0.819 71 HZ3 TRP 13 HZ3 TRP 13 7.543 -0.947 3.113 72 HH2 TRP 13 HH2 TRP 13 8.605 -2.271 1.342 73 H GLY 14 H GLY 14 5.012 6.110 0.067 74 HA2 GLY 14 HA3 GLY 14 5.086 7.875 2.422 75 HA3 GLY 14 HA2 GLY 14 5.037 8.370 0.733 76 H CYS 15 H CYS 15 2.918 6.103 2.354 77 HA CYS 15 HA CYS 15 0.713 7.877 2.785 78 HB2 CYS 15 HB3 CYS 15 0.655 7.201 0.295 79 HB3 CYS 15 HB2 CYS 15 0.319 5.581 0.823 80 H CYS 16 H CYS 16 1.790 4.593 2.269 81 HA CYS 16 HA CYS 16 -0.137 3.320 3.959 82 HB2 CYS 16 HB3 CYS 16 0.536 2.220 1.980 83 HB3 CYS 16 HB2 CYS 16 2.231 2.435 2.311 84 H LEU 17 H LEU 17 3.364 4.017 4.198 85 HA LEU 17 HA LEU 17 3.859 2.457 6.497 86 HB2 LEU 17 HB3 LEU 17 5.379 4.808 5.364 87 HB3 LEU 17 HB2 LEU 17 5.923 3.972 6.810 88 HG LEU 17 HG LEU 17 5.690 2.786 4.018 89 HD11 LEU 17 HD11 LEU 17 8.109 3.319 5.768 90 HD12 LEU 17 HD12 LEU 17 7.642 4.236 4.332 91 HD13 LEU 17 HD13 LEU 17 8.130 2.550 4.177 92 HD21 LEU 17 HD21 LEU 17 6.516 1.388 6.594 93 HD22 LEU 17 HD22 LEU 17 6.633 0.712 4.968 94 HD23 LEU 17 HD23 LEU 17 5.052 1.066 5.658 95 H VAL 18 H VAL 18 2.208 5.508 6.404 96 HA VAL 18 HA VAL 18 3.031 6.329 9.080 97 HB VAL 18 HB VAL 18 2.489 8.062 7.384 98 HG11 VAL 18 HG11 VAL 18 0.174 8.538 6.703 99 HG12 VAL 18 HG12 VAL 18 -0.386 7.102 7.566 100 HG13 VAL 18 HG13 VAL 18 0.686 6.936 6.178 101 HG21 VAL 18 HG21 VAL 18 0.601 8.154 9.769 102 HG22 VAL 18 HG22 VAL 18 1.122 9.544 8.809 103 HG23 VAL 18 HG23 VAL 18 2.299 8.648 9.769 104 H GLN 19 H GLN 19 0.733 4.206 7.755 105 HA GLN 19 HA GLN 19 -0.832 3.994 10.246 106 HB2 GLN 19 HB3 GLN 19 -2.930 4.074 8.864 107 HB3 GLN 19 HB2 GLN 19 -2.055 5.586 8.880 108 HG2 GLN 19 HG3 GLN 19 -1.053 4.900 6.674 109 HG3 GLN 19 HG2 GLN 19 -2.185 3.560 6.635 110 HE21 GLN 19 HE21 GLN 19 -1.801 5.960 4.934 111 HE22 GLN 19 HE22 GLN 19 -3.367 6.695 4.824 112 H CYS 20 H CYS 20 1.058 2.413 8.166 113 HA CYS 20 HA CYS 20 -0.022 -0.197 8.864 114 HB2 CYS 20 HB3 CYS 20 0.621 0.507 5.961 115 HB3 CYS 20 HB2 CYS 20 0.210 -1.081 6.558 116 H ALA 21 H ALA 21 1.611 -1.907 8.062 117 HA ALA 21 HA ALA 21 4.324 -1.089 8.808 118 HB1 ALA 21 HB1 ALA 21 3.077 -3.856 8.470 119 HB2 ALA 21 HB2 ALA 21 3.311 -3.003 9.998 120 HB3 ALA 21 HB3 ALA 21 4.708 -3.530 9.060 121 HA PRO 22 HA PRO 22 6.036 -1.552 4.591 122 HB2 PRO 22 HB3 PRO 22 8.339 -3.085 5.161 123 HB3 PRO 22 HB2 PRO 22 8.231 -1.319 5.275 124 HG2 PRO 22 HG3 PRO 22 7.972 -3.358 7.459 125 HG3 PRO 22 HG2 PRO 22 8.810 -1.787 7.471 126 HD2 PRO 22 HD3 PRO 22 6.417 -2.047 8.631 127 HD3 PRO 22 HD2 PRO 22 6.811 -0.578 7.729 128 H SER 23 H SER 23 5.458 -4.363 6.625 129 HA SER 23 HA SER 23 5.603 -6.410 4.694 130 HB2 SER 23 HB3 SER 23 3.844 -6.251 7.173 131 HB3 SER 23 HB2 SER 23 4.236 -7.726 6.281 132 HG SER 23 HG SER 23 6.109 -7.783 7.230 133 H ILE 24 H ILE 24 3.160 -3.965 5.264 134 HA ILE 24 HA ILE 24 1.215 -5.198 3.447 135 HB ILE 24 HB ILE 24 1.160 -2.437 4.774 136 HG12 ILE 24 HG13 ILE 24 1.139 -4.142 6.559 137 HG13 ILE 24 HG12 ILE 24 -0.455 -3.392 6.428 138 HG21 ILE 24 HG21 ILE 24 -1.073 -4.011 3.457 139 HG22 ILE 24 HG22 ILE 24 -0.290 -2.568 2.816 140 HG23 ILE 24 HG23 ILE 24 -1.258 -2.462 4.283 141 HD11 ILE 24 HD11 ILE 24 0.318 -6.116 5.354 142 HD12 ILE 24 HD12 ILE 24 -1.274 -5.364 5.217 143 HD13 ILE 24 HD13 ILE 24 -0.632 -5.785 6.802 144 H CYS 25 H CYS 25 3.258 -2.288 3.672 145 HA CYS 25 HA CYS 25 2.391 -1.031 1.312 146 HB2 CYS 25 HB3 CYS 25 5.052 -0.518 2.669 147 HB3 CYS 25 HB2 CYS 25 4.060 0.620 1.766 148 H ALA 26 H ALA 26 4.952 -3.375 1.835 149 HA ALA 26 HA ALA 26 6.577 -2.902 -0.418 150 HB1 ALA 26 HB1 ALA 26 6.095 -5.552 0.993 151 HB2 ALA 26 HB2 ALA 26 7.279 -4.331 1.467 152 HB3 ALA 26 HB3 ALA 26 7.448 -5.173 -0.074 153 H GLY 27 H GLY 27 3.516 -4.582 -0.072 154 HA2 GLY 27 HA3 GLY 27 3.699 -5.896 -2.705 155 HA3 GLY 27 HA2 GLY 27 2.445 -6.118 -1.495 156 H TRP 28 H TRP 28 2.821 -2.892 -1.604 157 HA TRP 28 HA TRP 28 0.742 -2.475 -3.663 158 HB2 TRP 28 HB3 TRP 28 1.538 -0.765 -1.271 159 HB3 TRP 28 HB2 TRP 28 0.293 -0.329 -2.435 160 HD1 TRP 28 HD1 TRP 28 0.243 -1.272 0.891 161 HE1 TRP 28 HE1 TRP 28 -1.786 -2.709 1.560 162 HE3 TRP 28 HE3 TRP 28 -1.166 -2.960 -3.749 163 HZ2 TRP 28 HZ2 TRP 28 -3.656 -4.397 0.326 164 HZ3 TRP 28 HZ3 TRP 28 -3.071 -4.508 -3.908 165 HH2 TRP 28 HH2 TRP 28 -4.293 -5.212 -1.908 166 H CYS 29 H CYS 29 3.911 -1.408 -2.533 167 HA CYS 29 HA CYS 29 4.302 0.585 -4.566 168 HB2 CYS 29 HB3 CYS 29 6.081 -0.670 -2.485 169 HB3 CYS 29 HB2 CYS 29 6.784 0.342 -3.748 170 H GLY 30 H GLY 30 6.258 -2.372 -3.963 171 HA2 GLY 30 HA3 GLY 30 6.451 -2.881 -6.838 172 HA3 GLY 30 HA2 GLY 30 7.911 -2.360 -6.015 173 H GLY 31 H GLY 31 5.275 -4.575 -5.117 174 HA2 GLY 31 HA3 GLY 31 7.042 -6.634 -4.157 175 HA3 GLY 31 HA2 GLY 31 5.303 -6.765 -4.389 176 H SER 32 H SER 32 4.880 -6.338 -6.953 177 HA SER 32 HA SER 32 6.656 -7.418 -8.853 178 HB2 SER 32 HB3 SER 32 5.243 -9.518 -9.375 179 HB3 SER 32 HB2 SER 32 6.253 -9.600 -7.935 180 HG SER 32 HG SER 32 3.638 -8.680 -7.609 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 -5.262 -6.017 6.834 2 H2 SER 1 HT2 SER 1 -4.347 -5.321 5.597 3 H3 SER 1 HT3 SER 1 -6.023 -5.147 5.601 4 HA SER 1 HA SER 1 -5.948 -3.847 7.588 5 HB2 SER 1 HB3 SER 1 -2.923 -4.159 7.364 6 HB3 SER 1 HB2 SER 1 -3.756 -3.135 8.531 7 HG SER 1 HG SER 1 -4.846 -5.254 9.106 8 H CYS 2 H CYS 2 -5.661 -1.545 7.491 9 HA CYS 2 HA CYS 2 -5.706 0.466 6.525 10 HB2 CYS 2 HB3 CYS 2 -3.834 -0.551 4.355 11 HB3 CYS 2 HB2 CYS 2 -4.080 1.108 4.853 12 H GLY 3 H GLY 3 -6.379 1.595 4.338 13 HA2 GLY 3 HA3 GLY 3 -8.870 0.169 3.653 14 HA3 GLY 3 HA2 GLY 3 -8.567 1.894 3.555 15 H SER 4 H SER 4 -6.014 0.220 2.136 16 HA SER 4 HA SER 4 -5.098 0.444 0.118 17 HB2 SER 4 HB3 SER 4 -6.330 -0.489 -1.829 18 HB3 SER 4 HB2 SER 4 -6.465 -1.517 -0.407 19 HG SER 4 HG SER 4 -8.546 -0.814 -0.117 20 H GLU 5 H GLU 5 -6.494 2.740 1.301 21 HA GLU 5 HA GLU 5 -7.533 4.389 -0.839 22 HB2 GLU 5 HB3 GLU 5 -8.397 4.574 1.497 23 HB3 GLU 5 HB2 GLU 5 -6.804 5.058 2.054 24 HG2 GLU 5 HG3 GLU 5 -8.193 7.014 1.921 25 HG3 GLU 5 HG2 GLU 5 -6.977 7.118 0.649 26 H CYS 6 H CYS 6 -4.603 4.044 1.095 27 HA CYS 6 HA CYS 6 -3.078 5.895 -0.577 28 HB2 CYS 6 HB3 CYS 6 -2.507 4.395 1.982 29 HB3 CYS 6 HB2 CYS 6 -1.236 5.147 1.050 30 H ALA 7 H ALA 7 -4.117 3.684 -1.922 31 HA ALA 7 HA ALA 7 -1.603 2.450 -2.890 32 HB1 ALA 7 HB1 ALA 7 -3.326 0.861 -2.134 33 HB2 ALA 7 HB2 ALA 7 -2.986 0.691 -3.857 34 HB3 ALA 7 HB3 ALA 7 -4.450 1.520 -3.321 35 HA PRO 8 HA PRO 8 -4.109 4.773 -6.606 36 HB2 PRO 8 HB3 PRO 8 -2.919 7.452 -5.939 37 HB3 PRO 8 HB2 PRO 8 -4.567 7.049 -6.434 38 HG2 PRO 8 HG3 PRO 8 -4.032 7.782 -3.926 39 HG3 PRO 8 HG2 PRO 8 -5.232 6.511 -4.266 40 HD2 PRO 8 HD3 PRO 8 -2.364 6.179 -3.379 41 HD3 PRO 8 HD2 PRO 8 -3.830 5.370 -2.804 42 H GLU 9 H GLU 9 -1.094 5.953 -5.257 43 HA GLU 9 HA GLU 9 0.048 6.732 -7.715 44 HB2 GLU 9 HB3 GLU 9 1.229 6.443 -4.923 45 HB3 GLU 9 HB2 GLU 9 2.001 7.263 -6.265 46 HG2 GLU 9 HG3 GLU 9 -0.572 8.098 -4.912 47 HG3 GLU 9 HG2 GLU 9 1.005 8.857 -4.699 48 HA PRO 10 HA PRO 10 2.697 3.056 -8.558 49 HB2 PRO 10 HB3 PRO 10 4.950 4.465 -9.464 50 HB3 PRO 10 HB2 PRO 10 3.568 4.023 -10.487 51 HG2 PRO 10 HG3 PRO 10 4.136 6.633 -9.115 52 HG3 PRO 10 HG2 PRO 10 3.522 6.329 -10.759 53 HD2 PRO 10 HD3 PRO 10 1.849 7.060 -8.809 54 HD3 PRO 10 HD2 PRO 10 1.359 5.850 -10.016 55 H ASP 11 H ASP 11 3.936 5.968 -6.912 56 HA ASP 11 HA ASP 11 5.370 4.335 -4.916 57 HB2 ASP 11 HB3 ASP 11 6.663 6.211 -5.865 58 HB3 ASP 11 HB2 ASP 11 5.402 7.356 -5.409 59 H CYS 12 H CYS 12 3.249 3.555 -4.236 60 HA CYS 12 HA CYS 12 1.345 5.161 -2.824 61 HB2 CYS 12 HB3 CYS 12 0.479 3.069 -2.026 62 HB3 CYS 12 HB2 CYS 12 0.939 2.816 -3.692 63 H TRP 13 H TRP 13 4.461 3.892 -2.026 64 HA TRP 13 HA TRP 13 4.617 3.629 0.677 65 HB2 TRP 13 HB3 TRP 13 6.629 5.051 -1.103 66 HB3 TRP 13 HB2 TRP 13 6.957 4.295 0.397 67 HD1 TRP 13 HD1 TRP 13 6.788 3.587 -3.237 68 HE1 TRP 13 HE1 TRP 13 7.350 1.113 -3.695 69 HE3 TRP 13 HE3 TRP 13 6.660 1.909 1.512 70 HZ2 TRP 13 HZ2 TRP 13 7.702 -1.266 -2.186 71 HZ3 TRP 13 HZ3 TRP 13 7.112 -0.489 1.973 72 HH2 TRP 13 HH2 TRP 13 7.626 -2.041 0.154 73 H GLY 14 H GLY 14 4.396 6.546 -1.241 74 HA2 GLY 14 HA3 GLY 14 5.008 8.394 0.966 75 HA3 GLY 14 HA2 GLY 14 4.705 8.816 -0.712 76 H CYS 15 H CYS 15 2.671 6.859 1.359 77 HA CYS 15 HA CYS 15 0.731 8.888 1.982 78 HB2 CYS 15 HB3 CYS 15 0.244 8.043 -0.418 79 HB3 CYS 15 HB2 CYS 15 -0.167 6.513 0.297 80 H CYS 16 H CYS 16 1.499 5.513 1.630 81 HA CYS 16 HA CYS 16 -0.308 4.476 3.603 82 HB2 CYS 16 HB3 CYS 16 0.037 3.244 1.629 83 HB3 CYS 16 HB2 CYS 16 1.765 3.373 1.720 84 H LEU 17 H LEU 17 3.192 5.009 3.405 85 HA LEU 17 HA LEU 17 3.903 3.444 5.647 86 HB2 LEU 17 HB3 LEU 17 5.404 5.620 4.190 87 HB3 LEU 17 HB2 LEU 17 6.105 4.793 5.572 88 HG LEU 17 HG LEU 17 5.289 3.505 2.939 89 HD11 LEU 17 HD11 LEU 17 7.369 4.789 2.782 90 HD12 LEU 17 HD12 LEU 17 7.679 3.059 2.654 91 HD13 LEU 17 HD13 LEU 17 8.032 3.907 4.162 92 HD21 LEU 17 HD21 LEU 17 6.485 2.189 5.407 93 HD22 LEU 17 HD22 LEU 17 6.224 1.419 3.840 94 HD23 LEU 17 HD23 LEU 17 4.846 1.956 4.791 95 H VAL 18 H VAL 18 2.358 6.503 5.757 96 HA VAL 18 HA VAL 18 3.589 7.344 8.272 97 HB VAL 18 HB VAL 18 2.760 9.073 6.697 98 HG11 VAL 18 HG11 VAL 18 0.368 9.499 6.341 99 HG12 VAL 18 HG12 VAL 18 -0.046 8.073 7.296 100 HG13 VAL 18 HG13 VAL 18 0.811 7.890 5.766 101 HG21 VAL 18 HG21 VAL 18 1.242 9.116 9.338 102 HG22 VAL 18 HG22 VAL 18 1.580 10.521 8.320 103 HG23 VAL 18 HG23 VAL 18 2.908 9.654 9.091 104 H GLN 19 H GLN 19 1.013 5.300 7.291 105 HA GLN 19 HA GLN 19 -0.170 5.144 10.006 106 HB2 GLN 19 HB3 GLN 19 -2.421 5.108 8.862 107 HB3 GLN 19 HB2 GLN 19 -1.585 6.637 8.728 108 HG2 GLN 19 HG3 GLN 19 -0.804 5.859 6.454 109 HG3 GLN 19 HG2 GLN 19 -1.929 4.522 6.588 110 HE21 GLN 19 HE21 GLN 19 -1.713 6.870 4.764 111 HE22 GLN 19 HE22 GLN 19 -3.286 7.602 4.787 112 H CYS 20 H CYS 20 1.362 3.478 7.616 113 HA CYS 20 HA CYS 20 0.330 0.878 8.506 114 HB2 CYS 20 HB3 CYS 20 0.710 1.523 5.558 115 HB3 CYS 20 HB2 CYS 20 0.145 0.029 6.231 116 H ALA 21 H ALA 21 1.797 -0.879 7.791 117 HA ALA 21 HA ALA 21 4.593 -0.160 8.159 118 HB1 ALA 21 HB1 ALA 21 3.271 -2.890 7.870 119 HB2 ALA 21 HB2 ALA 21 3.624 -2.068 9.391 120 HB3 ALA 21 HB3 ALA 21 4.945 -2.597 8.350 121 HA PRO 22 HA PRO 22 6.050 -0.598 3.819 122 HB2 PRO 22 HB3 PRO 22 8.116 -2.431 5.074 123 HB3 PRO 22 HB2 PRO 22 8.345 -1.105 3.910 124 HG2 PRO 22 HG3 PRO 22 8.946 -0.741 6.463 125 HG3 PRO 22 HG2 PRO 22 8.140 0.550 5.536 126 HD2 PRO 22 HD3 PRO 22 6.972 -1.304 7.578 127 HD3 PRO 22 HD2 PRO 22 6.587 0.389 7.257 128 H SER 23 H SER 23 5.421 -3.423 5.849 129 HA SER 23 HA SER 23 5.305 -5.386 3.825 130 HB2 SER 23 HB3 SER 23 5.333 -5.902 6.272 131 HB3 SER 23 HB2 SER 23 3.691 -5.272 6.408 132 HG SER 23 HG SER 23 4.456 -7.428 4.711 133 H ILE 24 H ILE 24 2.809 -3.162 5.116 134 HA ILE 24 HA ILE 24 0.630 -4.149 3.555 135 HB ILE 24 HB ILE 24 0.993 -1.402 4.864 136 HG12 ILE 24 HG13 ILE 24 1.009 -3.097 6.615 137 HG13 ILE 24 HG12 ILE 24 -0.563 -2.275 6.641 138 HG21 ILE 24 HG21 ILE 24 -1.543 -2.674 3.779 139 HG22 ILE 24 HG22 ILE 24 -0.706 -1.264 3.132 140 HG23 ILE 24 HG23 ILE 24 -1.474 -1.177 4.714 141 HD11 ILE 24 HD11 ILE 24 0.005 -5.010 5.462 142 HD12 ILE 24 HD12 ILE 24 -1.561 -4.193 5.468 143 HD13 ILE 24 HD13 ILE 24 -0.808 -4.668 6.988 144 H CYS 25 H CYS 25 2.815 -1.369 3.272 145 HA CYS 25 HA CYS 25 1.659 -0.251 0.946 146 HB2 CYS 25 HB3 CYS 25 4.491 0.211 1.913 147 HB3 CYS 25 HB2 CYS 25 3.453 1.328 1.032 148 H ALA 26 H ALA 26 4.216 -2.650 1.425 149 HA ALA 26 HA ALA 26 5.204 -2.768 -1.225 150 HB1 ALA 26 HB1 ALA 26 5.042 -5.020 0.798 151 HB2 ALA 26 HB2 ALA 26 6.357 -3.854 0.650 152 HB3 ALA 26 HB3 ALA 26 6.049 -5.006 -0.653 153 H GLY 27 H GLY 27 2.208 -3.905 0.153 154 HA2 GLY 27 HA3 GLY 27 1.623 -5.811 -1.997 155 HA3 GLY 27 HA2 GLY 27 0.599 -5.417 -0.624 156 H TRP 28 H TRP 28 1.133 -2.486 -1.289 157 HA TRP 28 HA TRP 28 -1.054 -2.183 -3.239 158 HB2 TRP 28 HB3 TRP 28 0.103 -0.229 -1.215 159 HB3 TRP 28 HB2 TRP 28 -1.264 0.107 -2.270 160 HD1 TRP 28 HD1 TRP 28 -0.883 -0.422 1.139 161 HE1 TRP 28 HE1 TRP 28 -2.836 -1.676 2.254 162 HE3 TRP 28 HE3 TRP 28 -3.004 -2.556 -3.023 163 HZ2 TRP 28 HZ2 TRP 28 -4.931 -3.388 1.500 164 HZ3 TRP 28 HZ3 TRP 28 -4.965 -4.011 -2.728 165 HH2 TRP 28 HH2 TRP 28 -5.912 -4.415 -0.510 166 H CYS 29 H CYS 29 2.322 -1.469 -2.750 167 HA CYS 29 HA CYS 29 2.537 0.163 -5.178 168 HB2 CYS 29 HB3 CYS 29 4.421 -0.555 -2.948 169 HB3 CYS 29 HB2 CYS 29 5.080 0.002 -4.482 170 H GLY 30 H GLY 30 4.389 -2.581 -3.863 171 HA2 GLY 30 HA3 GLY 30 4.361 -4.429 -5.807 172 HA3 GLY 30 HA2 GLY 30 5.490 -3.242 -6.430 173 H GLY 31 H GLY 31 6.294 -5.819 -5.870 174 HA2 GLY 31 HA3 GLY 31 8.387 -5.364 -3.864 175 HA3 GLY 31 HA2 GLY 31 7.301 -6.726 -3.581 176 H SER 32 H SER 32 8.734 -5.395 -6.542 177 HA SER 32 HA SER 32 10.473 -7.654 -7.012 178 HB2 SER 32 HB3 SER 32 8.292 -8.583 -7.760 179 HB3 SER 32 HB2 SER 32 8.040 -7.195 -8.816 180 HG SER 32 HG SER 32 9.669 -7.882 -10.119 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 -3.657 -5.339 7.878 2 H2 SER 1 HT2 SER 1 -4.496 -5.704 6.456 3 H3 SER 1 HT3 SER 1 -4.994 -6.369 7.928 4 HA SER 1 HA SER 1 -6.434 -4.594 7.237 5 HB2 SER 1 HB3 SER 1 -4.739 -3.913 9.681 6 HB3 SER 1 HB2 SER 1 -6.364 -3.300 9.354 7 HG SER 1 HG SER 1 -7.060 -5.029 10.262 8 H CYS 2 H CYS 2 -6.712 -2.639 6.315 9 HA CYS 2 HA CYS 2 -4.827 -0.473 6.333 10 HB2 CYS 2 HB3 CYS 2 -3.833 -2.075 4.625 11 HB3 CYS 2 HB2 CYS 2 -5.254 -1.857 3.651 12 H GLY 3 H GLY 3 -5.660 1.219 4.617 13 HA2 GLY 3 HA3 GLY 3 -8.599 1.344 4.784 14 HA3 GLY 3 HA2 GLY 3 -7.509 2.667 4.401 15 H SER 4 H SER 4 -6.264 0.376 2.497 16 HA SER 4 HA SER 4 -6.015 0.278 0.260 17 HB2 SER 4 HB3 SER 4 -8.000 -0.468 -1.068 18 HB3 SER 4 HB2 SER 4 -7.786 -1.385 0.415 19 HG SER 4 HG SER 4 -9.474 0.833 0.501 20 H GLU 5 H GLU 5 -6.431 2.874 1.434 21 HA GLU 5 HA GLU 5 -7.819 4.538 -0.547 22 HB2 GLU 5 HB3 GLU 5 -8.198 4.786 1.969 23 HB3 GLU 5 HB2 GLU 5 -6.520 5.295 2.117 24 HG2 GLU 5 HG3 GLU 5 -7.898 7.254 2.153 25 HG3 GLU 5 HG2 GLU 5 -7.029 7.245 0.625 26 H CYS 6 H CYS 6 -4.726 4.126 1.076 27 HA CYS 6 HA CYS 6 -3.251 5.754 -0.835 28 HB2 CYS 6 HB3 CYS 6 -2.551 4.456 1.811 29 HB3 CYS 6 HB2 CYS 6 -1.374 5.207 0.768 30 H ALA 7 H ALA 7 -4.359 3.448 -1.921 31 HA ALA 7 HA ALA 7 -1.965 1.925 -2.738 32 HB1 ALA 7 HB1 ALA 7 -3.964 0.678 -2.032 33 HB2 ALA 7 HB2 ALA 7 -3.555 0.359 -3.719 34 HB3 ALA 7 HB3 ALA 7 -4.889 1.443 -3.320 35 HA PRO 8 HA PRO 8 -3.820 4.290 -6.745 36 HB2 PRO 8 HB3 PRO 8 -2.617 6.967 -6.147 37 HB3 PRO 8 HB2 PRO 8 -4.247 6.569 -6.705 38 HG2 PRO 8 HG3 PRO 8 -3.807 7.451 -4.219 39 HG3 PRO 8 HG2 PRO 8 -5.049 6.215 -4.550 40 HD2 PRO 8 HD3 PRO 8 -2.235 5.806 -3.500 41 HD3 PRO 8 HD2 PRO 8 -3.772 5.123 -2.935 42 H GLU 9 H GLU 9 -0.863 5.638 -5.299 43 HA GLU 9 HA GLU 9 0.381 6.100 -7.806 44 HB2 GLU 9 HB3 GLU 9 1.472 6.314 -4.958 45 HB3 GLU 9 HB2 GLU 9 2.187 7.023 -6.390 46 HG2 GLU 9 HG3 GLU 9 -0.485 7.778 -5.175 47 HG3 GLU 9 HG2 GLU 9 0.998 8.725 -5.090 48 HA PRO 10 HA PRO 10 3.237 2.472 -7.814 49 HB2 PRO 10 HB3 PRO 10 5.537 3.640 -8.804 50 HB3 PRO 10 HB2 PRO 10 4.159 3.210 -9.836 51 HG2 PRO 10 HG3 PRO 10 4.879 5.885 -8.682 52 HG3 PRO 10 HG2 PRO 10 4.324 5.476 -10.321 53 HD2 PRO 10 HD3 PRO 10 2.646 6.497 -8.470 54 HD3 PRO 10 HD2 PRO 10 2.098 5.326 -9.690 55 H ASP 11 H ASP 11 4.034 5.561 -6.366 56 HA ASP 11 HA ASP 11 5.841 4.345 -4.361 57 HB2 ASP 11 HB3 ASP 11 6.713 6.619 -4.002 58 HB3 ASP 11 HB2 ASP 11 6.804 6.205 -5.710 59 H CYS 12 H CYS 12 2.930 4.112 -4.329 60 HA CYS 12 HA CYS 12 1.610 5.792 -2.487 61 HB2 CYS 12 HB3 CYS 12 0.199 3.613 -2.132 62 HB3 CYS 12 HB2 CYS 12 0.178 4.413 -3.694 63 H TRP 13 H TRP 13 4.104 3.561 -1.865 64 HA TRP 13 HA TRP 13 3.887 2.711 0.704 65 HB2 TRP 13 HB3 TRP 13 6.315 4.007 -0.587 66 HB3 TRP 13 HB2 TRP 13 6.335 2.978 0.776 67 HD1 TRP 13 HD1 TRP 13 6.178 2.859 -2.973 68 HE1 TRP 13 HE1 TRP 13 6.477 0.414 -3.763 69 HE3 TRP 13 HE3 TRP 13 5.825 0.594 1.519 70 HZ2 TRP 13 HZ2 TRP 13 6.561 -2.159 -2.572 71 HZ3 TRP 13 HZ3 TRP 13 6.010 -1.877 1.663 72 HH2 TRP 13 HH2 TRP 13 6.371 -3.223 -0.357 73 H GLY 14 H GLY 14 4.508 5.968 -0.460 74 HA2 GLY 14 HA3 GLY 14 5.046 7.118 2.195 75 HA3 GLY 14 HA2 GLY 14 5.128 7.959 0.649 76 H CYS 15 H CYS 15 2.602 6.076 2.199 77 HA CYS 15 HA CYS 15 0.762 8.180 2.724 78 HB2 CYS 15 HB3 CYS 15 0.768 7.762 0.140 79 HB3 CYS 15 HB2 CYS 15 -0.036 6.264 0.485 80 H CYS 16 H CYS 16 1.250 4.816 1.890 81 HA CYS 16 HA CYS 16 -1.005 3.696 3.264 82 HB2 CYS 16 HB3 CYS 16 -0.168 2.762 1.230 83 HB3 CYS 16 HB2 CYS 16 1.430 2.574 1.880 84 H LEU 17 H LEU 17 2.518 3.740 3.950 85 HA LEU 17 HA LEU 17 2.287 1.954 6.165 86 HB2 LEU 17 HB3 LEU 17 4.565 3.658 5.179 87 HB3 LEU 17 HB2 LEU 17 4.695 2.707 6.649 88 HG LEU 17 HG LEU 17 3.817 0.744 5.053 89 HD11 LEU 17 HD11 LEU 17 3.530 2.085 3.064 90 HD12 LEU 17 HD12 LEU 17 4.754 0.845 2.815 91 HD13 LEU 17 HD13 LEU 17 5.240 2.524 3.077 92 HD21 LEU 17 HD21 LEU 17 6.683 1.660 5.158 93 HD22 LEU 17 HD22 LEU 17 6.118 0.052 4.683 94 HD23 LEU 17 HD23 LEU 17 5.831 0.635 6.322 95 H VAL 18 H VAL 18 1.271 5.114 6.258 96 HA VAL 18 HA VAL 18 2.015 5.570 9.052 97 HB VAL 18 HB VAL 18 1.731 7.567 7.659 98 HG11 VAL 18 HG11 VAL 18 -0.421 8.290 6.737 99 HG12 VAL 18 HG12 VAL 18 -1.179 6.796 7.294 100 HG13 VAL 18 HG13 VAL 18 0.073 6.740 6.054 101 HG21 VAL 18 HG21 VAL 18 -0.481 7.423 9.748 102 HG22 VAL 18 HG22 VAL 18 0.231 8.905 9.101 103 HG23 VAL 18 HG23 VAL 18 1.216 7.801 10.060 104 H GLN 19 H GLN 19 -0.568 4.063 7.265 105 HA GLN 19 HA GLN 19 -2.093 3.465 9.725 106 HB2 GLN 19 HB3 GLN 19 -4.198 3.821 8.190 107 HB3 GLN 19 HB2 GLN 19 -3.392 5.214 8.877 108 HG2 GLN 19 HG3 GLN 19 -3.753 5.894 6.692 109 HG3 GLN 19 HG2 GLN 19 -2.106 5.339 6.629 110 HE21 GLN 19 HE21 GLN 19 -2.174 5.040 4.436 111 HE22 GLN 19 HE22 GLN 19 -3.052 3.754 3.696 112 H CYS 20 H CYS 20 -0.377 2.123 7.277 113 HA CYS 20 HA CYS 20 -1.643 -0.484 7.773 114 HB2 CYS 20 HB3 CYS 20 -0.631 0.046 4.963 115 HB3 CYS 20 HB2 CYS 20 -1.796 -1.103 5.504 116 H ALA 21 H ALA 21 -0.050 -2.256 7.348 117 HA ALA 21 HA ALA 21 2.666 -1.498 8.111 118 HB1 ALA 21 HB1 ALA 21 1.532 -3.354 9.275 119 HB2 ALA 21 HB2 ALA 21 2.978 -3.928 8.446 120 HB3 ALA 21 HB3 ALA 21 1.386 -4.241 7.754 121 HA PRO 22 HA PRO 22 4.567 -1.999 3.995 122 HB2 PRO 22 HB3 PRO 22 6.853 -3.510 4.644 123 HB3 PRO 22 HB2 PRO 22 6.722 -1.750 4.802 124 HG2 PRO 22 HG3 PRO 22 6.399 -3.846 6.909 125 HG3 PRO 22 HG2 PRO 22 7.202 -2.260 7.000 126 HD2 PRO 22 HD3 PRO 22 4.753 -2.620 8.035 127 HD3 PRO 22 HD2 PRO 22 5.185 -1.103 7.241 128 H SER 23 H SER 23 3.933 -4.837 5.980 129 HA SER 23 HA SER 23 4.098 -6.863 4.029 130 HB2 SER 23 HB3 SER 23 2.499 -8.101 5.541 131 HB3 SER 23 HB2 SER 23 3.866 -7.396 6.408 132 HG SER 23 HG SER 23 1.719 -7.058 7.355 133 H ILE 24 H ILE 24 1.568 -4.553 4.845 134 HA ILE 24 HA ILE 24 -0.437 -5.695 3.087 135 HB ILE 24 HB ILE 24 -0.579 -2.926 4.362 136 HG12 ILE 24 HG13 ILE 24 0.040 -4.473 6.196 137 HG13 ILE 24 HG12 ILE 24 -1.604 -3.871 6.374 138 HG21 ILE 24 HG21 ILE 24 -3.009 -3.401 4.392 139 HG22 ILE 24 HG22 ILE 24 -2.710 -4.950 3.600 140 HG23 ILE 24 HG23 ILE 24 -2.330 -3.440 2.767 141 HD11 ILE 24 HD11 ILE 24 -0.829 -6.617 5.370 142 HD12 ILE 24 HD12 ILE 24 -2.479 -6.020 5.564 143 HD13 ILE 24 HD13 ILE 24 -1.443 -6.225 6.975 144 H CYS 25 H CYS 25 1.590 -2.795 3.240 145 HA CYS 25 HA CYS 25 0.722 -1.496 0.889 146 HB2 CYS 25 HB3 CYS 25 3.384 -1.244 2.348 147 HB3 CYS 25 HB2 CYS 25 2.708 -0.064 1.231 148 H ALA 26 H ALA 26 3.093 -4.031 1.458 149 HA ALA 26 HA ALA 26 4.388 -4.056 -1.058 150 HB1 ALA 26 HB1 ALA 26 3.789 -6.398 0.779 151 HB2 ALA 26 HB2 ALA 26 5.198 -5.339 0.872 152 HB3 ALA 26 HB3 ALA 26 4.972 -6.385 -0.529 153 H GLY 27 H GLY 27 1.252 -5.284 -0.037 154 HA2 GLY 27 HA3 GLY 27 0.680 -6.828 -2.402 155 HA3 GLY 27 HA2 GLY 27 -0.462 -6.329 -1.164 156 H TRP 28 H TRP 28 -0.209 -3.585 -1.257 157 HA TRP 28 HA TRP 28 -1.937 -2.977 -3.466 158 HB2 TRP 28 HB3 TRP 28 -0.732 -1.127 -1.362 159 HB3 TRP 28 HB2 TRP 28 -2.023 -0.689 -2.477 160 HD1 TRP 28 HD1 TRP 28 -1.599 -1.782 0.972 161 HE1 TRP 28 HE1 TRP 28 -3.776 -2.759 1.926 162 HE3 TRP 28 HE3 TRP 28 -4.223 -2.455 -3.386 163 HZ2 TRP 28 HZ2 TRP 28 -6.238 -3.720 0.996 164 HZ3 TRP 28 HZ3 TRP 28 -6.484 -3.426 -3.260 165 HH2 TRP 28 HH2 TRP 28 -7.475 -4.046 -1.108 166 H CYS 29 H CYS 29 1.229 -1.657 -2.464 167 HA CYS 29 HA CYS 29 1.536 -0.035 -4.802 168 HB2 CYS 29 HB3 CYS 29 3.436 -0.710 -2.539 169 HB3 CYS 29 HB2 CYS 29 3.819 0.429 -3.827 170 H GLY 30 H GLY 30 3.490 -2.840 -3.600 171 HA2 GLY 30 HA3 GLY 30 4.616 -3.128 -6.342 172 HA3 GLY 30 HA2 GLY 30 5.551 -3.324 -4.876 173 H GLY 31 H GLY 31 5.983 -5.355 -4.379 174 HA2 GLY 31 HA3 GLY 31 4.629 -7.469 -3.671 175 HA3 GLY 31 HA2 GLY 31 4.329 -7.581 -5.408 176 H SER 32 H SER 32 6.587 -8.076 -2.857 177 HA SER 32 HA SER 32 8.618 -9.167 -4.711 178 HB2 SER 32 HB3 SER 32 9.117 -7.202 -2.428 179 HB3 SER 32 HB2 SER 32 10.389 -8.044 -3.319 180 HG SER 32 HG SER 32 8.460 -6.288 -4.463 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 -8.505 -6.287 5.888 2 H2 SER 1 HT2 SER 1 -7.450 -6.300 7.205 3 H3 SER 1 HT3 SER 1 -7.373 -7.530 6.050 4 HA SER 1 HA SER 1 -5.575 -5.942 5.801 5 HB2 SER 1 HB3 SER 1 -6.468 -7.199 3.839 6 HB3 SER 1 HB2 SER 1 -7.618 -5.902 3.527 7 HG SER 1 HG SER 1 -5.323 -6.069 2.461 8 H CYS 2 H CYS 2 -5.431 -3.731 4.282 9 HA CYS 2 HA CYS 2 -6.726 -1.650 5.888 10 HB2 CYS 2 HB3 CYS 2 -4.522 -1.423 3.802 11 HB3 CYS 2 HB2 CYS 2 -5.041 -0.170 4.920 12 H GLY 3 H GLY 3 -6.971 0.471 4.250 13 HA2 GLY 3 HA3 GLY 3 -9.612 -0.130 3.286 14 HA3 GLY 3 HA2 GLY 3 -8.847 1.440 3.382 15 H SER 4 H SER 4 -6.847 -0.476 1.568 16 HA SER 4 HA SER 4 -6.310 -0.659 -0.591 17 HB2 SER 4 HB3 SER 4 -9.200 -0.038 -1.312 18 HB3 SER 4 HB2 SER 4 -8.004 -0.849 -2.325 19 HG SER 4 HG SER 4 -8.944 -2.547 -1.497 20 H GLU 5 H GLU 5 -6.960 2.107 0.884 21 HA GLU 5 HA GLU 5 -7.332 3.937 -1.345 22 HB2 GLU 5 HB3 GLU 5 -8.443 4.212 0.922 23 HB3 GLU 5 HB2 GLU 5 -6.858 4.563 1.602 24 HG2 GLU 5 HG3 GLU 5 -6.675 6.576 0.205 25 HG3 GLU 5 HG2 GLU 5 -8.214 6.211 -0.567 26 H CYS 6 H CYS 6 -4.757 2.579 0.485 27 HA CYS 6 HA CYS 6 -2.760 4.357 -0.732 28 HB2 CYS 6 HB3 CYS 6 -2.634 2.283 1.482 29 HB3 CYS 6 HB2 CYS 6 -1.263 3.183 0.879 30 H ALA 7 H ALA 7 -4.212 2.574 -2.364 31 HA ALA 7 HA ALA 7 -2.083 0.826 -3.426 32 HB1 ALA 7 HB1 ALA 7 -4.268 -0.219 -2.995 33 HB2 ALA 7 HB2 ALA 7 -3.851 -0.270 -4.708 34 HB3 ALA 7 HB3 ALA 7 -5.029 0.908 -4.119 35 HA PRO 8 HA PRO 8 -3.607 4.016 -7.013 36 HB2 PRO 8 HB3 PRO 8 -2.341 6.478 -5.840 37 HB3 PRO 8 HB2 PRO 8 -3.903 6.287 -6.644 38 HG2 PRO 8 HG3 PRO 8 -3.770 6.672 -4.016 39 HG3 PRO 8 HG2 PRO 8 -4.964 5.544 -4.694 40 HD2 PRO 8 HD3 PRO 8 -2.304 4.903 -3.420 41 HD3 PRO 8 HD2 PRO 8 -3.894 4.151 -3.162 42 H GLU 9 H GLU 9 -0.690 5.046 -5.245 43 HA GLU 9 HA GLU 9 0.765 5.599 -7.647 44 HB2 GLU 9 HB3 GLU 9 1.405 5.735 -4.667 45 HB3 GLU 9 HB2 GLU 9 2.575 6.164 -5.896 46 HG2 GLU 9 HG3 GLU 9 -0.111 7.508 -5.530 47 HG3 GLU 9 HG2 GLU 9 1.424 8.130 -4.925 48 HA PRO 10 HA PRO 10 3.534 1.843 -7.455 49 HB2 PRO 10 HB3 PRO 10 5.886 2.997 -8.329 50 HB3 PRO 10 HB2 PRO 10 4.575 2.548 -9.441 51 HG2 PRO 10 HG3 PRO 10 5.182 5.248 -8.251 52 HG3 PRO 10 HG2 PRO 10 4.804 4.827 -9.940 53 HD2 PRO 10 HD3 PRO 10 2.921 5.848 -8.324 54 HD3 PRO 10 HD2 PRO 10 2.519 4.597 -9.522 55 H ASP 11 H ASP 11 4.083 4.970 -6.047 56 HA ASP 11 HA ASP 11 5.997 4.094 -4.009 57 HB2 ASP 11 HB3 ASP 11 6.288 6.241 -5.317 58 HB3 ASP 11 HB2 ASP 11 4.804 6.847 -4.608 59 H CYS 12 H CYS 12 3.110 3.226 -4.144 60 HA CYS 12 HA CYS 12 1.468 4.429 -2.208 61 HB2 CYS 12 HB3 CYS 12 0.387 2.075 -2.264 62 HB3 CYS 12 HB2 CYS 12 0.375 3.047 -3.728 63 H TRP 13 H TRP 13 4.186 2.317 -1.778 64 HA TRP 13 HA TRP 13 3.731 1.145 0.696 65 HB2 TRP 13 HB3 TRP 13 6.301 2.234 -0.502 66 HB3 TRP 13 HB2 TRP 13 6.220 1.190 0.850 67 HD1 TRP 13 HD1 TRP 13 5.923 1.156 -2.906 68 HE1 TRP 13 HE1 TRP 13 5.917 -1.288 -3.727 69 HE3 TRP 13 HE3 TRP 13 5.633 -1.131 1.580 70 HZ2 TRP 13 HZ2 TRP 13 5.801 -3.877 -2.570 71 HZ3 TRP 13 HZ3 TRP 13 5.576 -3.608 1.689 72 HH2 TRP 13 HH2 TRP 13 5.661 -4.950 -0.357 73 H GLY 14 H GLY 14 4.613 4.418 -0.177 74 HA2 GLY 14 HA3 GLY 14 5.500 5.385 2.362 75 HA3 GLY 14 HA2 GLY 14 4.911 6.374 1.033 76 H CYS 15 H CYS 15 2.388 5.065 0.878 77 HA CYS 15 HA CYS 15 0.865 6.671 2.725 78 HB2 CYS 15 HB3 CYS 15 0.332 6.172 0.262 79 HB3 CYS 15 HB2 CYS 15 -0.134 4.579 0.754 80 H CYS 16 H CYS 16 1.409 3.275 2.077 81 HA CYS 16 HA CYS 16 -0.663 2.298 3.842 82 HB2 CYS 16 HB3 CYS 16 -0.315 1.289 1.705 83 HB3 CYS 16 HB2 CYS 16 1.383 1.029 2.009 84 H LEU 17 H LEU 17 2.905 2.200 3.784 85 HA LEU 17 HA LEU 17 3.224 0.444 5.990 86 HB2 LEU 17 HB3 LEU 17 5.158 2.392 4.704 87 HB3 LEU 17 HB2 LEU 17 5.633 1.297 5.999 88 HG LEU 17 HG LEU 17 4.641 0.471 3.240 89 HD11 LEU 17 HD11 LEU 17 6.917 1.372 3.201 90 HD12 LEU 17 HD12 LEU 17 6.910 -0.361 2.880 91 HD13 LEU 17 HD13 LEU 17 7.400 0.238 4.468 92 HD21 LEU 17 HD21 LEU 17 5.563 -1.295 5.531 93 HD22 LEU 17 HD22 LEU 17 5.182 -1.835 3.894 94 HD23 LEU 17 HD23 LEU 17 3.914 -1.164 4.914 95 H VAL 18 H VAL 18 2.139 3.662 6.199 96 HA VAL 18 HA VAL 18 3.432 4.202 8.794 97 HB VAL 18 HB VAL 18 3.098 6.108 7.251 98 HG11 VAL 18 HG11 VAL 18 0.868 7.025 6.770 99 HG12 VAL 18 HG12 VAL 18 0.116 5.663 7.607 100 HG13 VAL 18 HG13 VAL 18 1.045 5.390 6.134 101 HG21 VAL 18 HG21 VAL 18 1.403 6.392 9.765 102 HG22 VAL 18 HG22 VAL 18 2.122 7.719 8.841 103 HG23 VAL 18 HG23 VAL 18 3.162 6.566 9.680 104 H GLN 19 H GLN 19 0.690 2.614 7.631 105 HA GLN 19 HA GLN 19 -0.744 2.672 10.217 106 HB2 GLN 19 HB3 GLN 19 -2.863 2.955 8.912 107 HB3 GLN 19 HB2 GLN 19 -1.801 4.335 8.770 108 HG2 GLN 19 HG3 GLN 19 -1.023 3.478 6.602 109 HG3 GLN 19 HG2 GLN 19 -2.147 2.138 6.714 110 HE21 GLN 19 HE21 GLN 19 -1.825 4.390 4.809 111 HE22 GLN 19 HE22 GLN 19 -3.397 5.102 4.686 112 H CYS 20 H CYS 20 0.721 0.801 7.897 113 HA CYS 20 HA CYS 20 -0.816 -1.609 8.553 114 HB2 CYS 20 HB3 CYS 20 -0.077 -0.886 5.687 115 HB3 CYS 20 HB2 CYS 20 -0.977 -2.286 6.215 116 H ALA 21 H ALA 21 0.358 -3.579 7.710 117 HA ALA 21 HA ALA 21 3.266 -3.382 8.052 118 HB1 ALA 21 HB1 ALA 21 3.159 -5.865 8.188 119 HB2 ALA 21 HB2 ALA 21 1.428 -5.813 7.845 120 HB3 ALA 21 HB3 ALA 21 2.054 -5.112 9.339 121 HA PRO 22 HA PRO 22 4.179 -3.860 3.615 122 HB2 PRO 22 HB3 PRO 22 6.281 -5.722 3.721 123 HB3 PRO 22 HB2 PRO 22 6.456 -3.972 3.935 124 HG2 PRO 22 HG3 PRO 22 6.262 -6.112 6.021 125 HG3 PRO 22 HG2 PRO 22 7.299 -4.668 5.976 126 HD2 PRO 22 HD3 PRO 22 5.091 -4.716 7.505 127 HD3 PRO 22 HD2 PRO 22 5.572 -3.237 6.663 128 H SER 23 H SER 23 3.299 -6.649 5.566 129 HA SER 23 HA SER 23 2.822 -8.523 3.500 130 HB2 SER 23 HB3 SER 23 1.376 -8.158 6.155 131 HB3 SER 23 HB2 SER 23 1.247 -9.584 5.123 132 HG SER 23 HG SER 23 3.832 -8.855 5.705 133 H ILE 24 H ILE 24 0.879 -5.834 4.774 134 HA ILE 24 HA ILE 24 -1.463 -6.344 3.165 135 HB ILE 24 HB ILE 24 -0.619 -3.750 4.561 136 HG12 ILE 24 HG13 ILE 24 -0.903 -5.466 6.274 137 HG13 ILE 24 HG12 ILE 24 -2.254 -4.324 6.344 138 HG21 ILE 24 HG21 ILE 24 -2.999 -3.107 4.396 139 HG22 ILE 24 HG22 ILE 24 -3.333 -4.567 3.474 140 HG23 ILE 24 HG23 ILE 24 -2.266 -3.330 2.811 141 HD11 ILE 24 HD11 ILE 24 -3.684 -5.966 5.206 142 HD12 ILE 24 HD12 ILE 24 -2.998 -6.613 6.696 143 HD13 ILE 24 HD13 ILE 24 -2.334 -7.104 5.140 144 H CYS 25 H CYS 25 1.228 -4.029 3.134 145 HA CYS 25 HA CYS 25 0.359 -2.475 0.958 146 HB2 CYS 25 HB3 CYS 25 3.199 -2.715 1.999 147 HB3 CYS 25 HB2 CYS 25 2.481 -1.336 1.171 148 H ALA 26 H ALA 26 2.315 -5.409 1.071 149 HA ALA 26 HA ALA 26 3.421 -5.264 -1.553 150 HB1 ALA 26 HB1 ALA 26 4.265 -6.826 0.154 151 HB2 ALA 26 HB2 ALA 26 3.823 -7.676 -1.327 152 HB3 ALA 26 HB3 ALA 26 2.757 -7.739 0.082 153 H GLY 27 H GLY 27 0.256 -6.171 -0.343 154 HA2 GLY 27 HA3 GLY 27 -0.579 -7.655 -2.684 155 HA3 GLY 27 HA2 GLY 27 -1.579 -7.173 -1.322 156 H TRP 28 H TRP 28 -0.853 -4.356 -1.504 157 HA TRP 28 HA TRP 28 -2.746 -3.552 -3.583 158 HB2 TRP 28 HB3 TRP 28 -1.375 -1.899 -1.417 159 HB3 TRP 28 HB2 TRP 28 -2.692 -1.353 -2.450 160 HD1 TRP 28 HD1 TRP 28 -2.240 -2.404 0.929 161 HE1 TRP 28 HE1 TRP 28 -4.376 -3.402 1.958 162 HE3 TRP 28 HE3 TRP 28 -4.901 -3.342 -3.356 163 HZ2 TRP 28 HZ2 TRP 28 -6.805 -4.479 1.114 164 HZ3 TRP 28 HZ3 TRP 28 -7.124 -4.386 -3.148 165 HH2 TRP 28 HH2 TRP 28 -8.058 -4.945 -0.956 166 H CYS 29 H CYS 29 0.669 -3.119 -2.762 167 HA CYS 29 HA CYS 29 1.188 -1.391 -5.067 168 HB2 CYS 29 HB3 CYS 29 3.012 -2.434 -2.874 169 HB3 CYS 29 HB2 CYS 29 3.525 -1.368 -4.175 170 H GLY 30 H GLY 30 3.060 -4.214 -3.837 171 HA2 GLY 30 HA3 GLY 30 3.204 -5.545 -6.325 172 HA3 GLY 30 HA2 GLY 30 4.571 -4.472 -6.145 173 H GLY 31 H GLY 31 6.038 -4.806 -4.382 174 HA2 GLY 31 HA3 GLY 31 5.930 -6.980 -2.564 175 HA3 GLY 31 HA2 GLY 31 6.840 -7.464 -3.993 176 H SER 32 H SER 32 7.899 -7.246 -1.340 177 HA SER 32 HA SER 32 10.183 -5.506 -1.801 178 HB2 SER 32 HB3 SER 32 8.586 -3.956 -0.681 179 HB3 SER 32 HB2 SER 32 8.397 -5.095 0.651 180 HG SER 32 HG SER 32 10.659 -3.552 -0.070 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 -3.527 -3.642 8.726 2 H2 SER 1 HT2 SER 1 -2.126 -3.368 7.827 3 H3 SER 1 HT3 SER 1 -2.881 -4.877 7.769 4 HA SER 1 HA SER 1 -3.317 -3.630 5.781 5 HB2 SER 1 HB3 SER 1 -5.829 -3.780 5.871 6 HB3 SER 1 HB2 SER 1 -5.021 -5.211 6.513 7 HG SER 1 HG SER 1 -6.843 -4.231 7.751 8 H CYS 2 H CYS 2 -4.502 -1.811 4.792 9 HA CYS 2 HA CYS 2 -4.626 0.631 6.442 10 HB2 CYS 2 HB3 CYS 2 -2.987 0.466 3.872 11 HB3 CYS 2 HB2 CYS 2 -3.067 1.801 5.011 12 H GLY 3 H GLY 3 -4.894 2.435 4.305 13 HA2 GLY 3 HA3 GLY 3 -7.725 2.046 3.771 14 HA3 GLY 3 HA2 GLY 3 -6.770 3.488 3.467 15 H SER 4 H SER 4 -4.858 1.438 2.038 16 HA SER 4 HA SER 4 -4.460 0.514 0.052 17 HB2 SER 4 HB3 SER 4 -7.425 0.786 -0.555 18 HB3 SER 4 HB2 SER 4 -6.262 -0.121 -1.527 19 HG SER 4 HG SER 4 -6.777 -1.701 -0.253 20 H GLU 5 H GLU 5 -5.604 3.597 0.514 21 HA GLU 5 HA GLU 5 -5.306 4.493 -2.267 22 HB2 GLU 5 HB3 GLU 5 -7.325 5.122 -0.819 23 HB3 GLU 5 HB2 GLU 5 -6.235 6.134 0.121 24 HG2 GLU 5 HG3 GLU 5 -5.760 7.519 -1.853 25 HG3 GLU 5 HG2 GLU 5 -6.734 6.457 -2.866 26 H CYS 6 H CYS 6 -3.189 3.728 -0.075 27 HA CYS 6 HA CYS 6 -1.342 5.918 -0.696 28 HB2 CYS 6 HB3 CYS 6 -1.239 3.615 1.287 29 HB3 CYS 6 HB2 CYS 6 0.114 4.663 0.946 30 H ALA 7 H ALA 7 -2.441 3.826 -2.520 31 HA ALA 7 HA ALA 7 0.059 2.752 -3.642 32 HB1 ALA 7 HB1 ALA 7 -1.870 1.252 -3.426 33 HB2 ALA 7 HB2 ALA 7 -1.397 1.454 -5.115 34 HB3 ALA 7 HB3 ALA 7 -2.808 2.307 -4.481 35 HA PRO 8 HA PRO 8 -2.009 5.725 -7.103 36 HB2 PRO 8 HB3 PRO 8 -1.609 8.398 -5.830 37 HB3 PRO 8 HB2 PRO 8 -3.054 7.731 -6.594 38 HG2 PRO 8 HG3 PRO 8 -2.904 8.105 -3.934 39 HG3 PRO 8 HG2 PRO 8 -3.796 6.734 -4.625 40 HD2 PRO 8 HD3 PRO 8 -1.026 6.751 -3.449 41 HD3 PRO 8 HD2 PRO 8 -2.357 5.606 -3.206 42 H GLU 9 H GLU 9 0.400 7.299 -5.038 43 HA GLU 9 HA GLU 9 1.640 8.700 -7.155 44 HB2 GLU 9 HB3 GLU 9 2.335 8.329 -4.201 45 HB3 GLU 9 HB2 GLU 9 3.167 9.443 -5.267 46 HG2 GLU 9 HG3 GLU 9 0.230 9.569 -4.541 47 HG3 GLU 9 HG2 GLU 9 1.503 10.591 -3.870 48 HA PRO 10 HA PRO 10 5.337 5.951 -7.710 49 HB2 PRO 10 HB3 PRO 10 7.233 7.895 -8.252 50 HB3 PRO 10 HB2 PRO 10 6.067 7.323 -9.464 51 HG2 PRO 10 HG3 PRO 10 5.935 9.789 -7.753 52 HG3 PRO 10 HG2 PRO 10 5.587 9.605 -9.485 53 HD2 PRO 10 HD3 PRO 10 3.606 9.707 -7.659 54 HD3 PRO 10 HD2 PRO 10 3.483 8.686 -9.110 55 H ASP 11 H ASP 11 5.091 8.716 -5.635 56 HA ASP 11 HA ASP 11 7.191 7.866 -3.759 57 HB2 ASP 11 HB3 ASP 11 7.146 10.234 -4.615 58 HB3 ASP 11 HB2 ASP 11 5.546 10.441 -3.916 59 H CYS 12 H CYS 12 4.618 6.440 -4.107 60 HA CYS 12 HA CYS 12 2.666 7.053 -2.161 61 HB2 CYS 12 HB3 CYS 12 1.992 4.641 -2.547 62 HB3 CYS 12 HB2 CYS 12 2.026 5.675 -3.972 63 H TRP 13 H TRP 13 5.732 5.454 -1.799 64 HA TRP 13 HA TRP 13 5.470 3.970 0.510 65 HB2 TRP 13 HB3 TRP 13 7.748 5.775 -0.388 66 HB3 TRP 13 HB2 TRP 13 7.862 4.625 0.876 67 HD1 TRP 13 HD1 TRP 13 7.695 4.815 -2.897 68 HE1 TRP 13 HE1 TRP 13 8.396 2.531 -3.882 69 HE3 TRP 13 HE3 TRP 13 7.953 2.212 1.417 70 HZ2 TRP 13 HZ2 TRP 13 8.997 -0.069 -2.900 71 HZ3 TRP 13 HZ3 TRP 13 8.599 -0.185 1.362 72 HH2 TRP 13 HH2 TRP 13 9.110 -1.299 -0.763 73 H GLY 14 H GLY 14 5.633 7.435 0.020 74 HA2 GLY 14 HA3 GLY 14 6.168 8.272 2.704 75 HA3 GLY 14 HA2 GLY 14 5.541 9.275 1.404 76 H CYS 15 H CYS 15 3.226 7.703 0.870 77 HA CYS 15 HA CYS 15 1.314 8.787 2.675 78 HB2 CYS 15 HB3 CYS 15 0.923 8.186 0.235 79 HB3 CYS 15 HB2 CYS 15 0.910 6.511 0.689 80 H CYS 16 H CYS 16 2.494 5.548 2.039 81 HA CYS 16 HA CYS 16 0.725 4.201 3.825 82 HB2 CYS 16 HB3 CYS 16 1.343 3.025 1.916 83 HB3 CYS 16 HB2 CYS 16 3.025 3.471 2.036 84 H LEU 17 H LEU 17 4.257 4.730 3.890 85 HA LEU 17 HA LEU 17 4.920 3.393 6.197 86 HB2 LEU 17 HB3 LEU 17 6.206 5.828 4.937 87 HB3 LEU 17 HB2 LEU 17 6.923 5.014 6.323 88 HG LEU 17 HG LEU 17 6.445 3.767 3.584 89 HD11 LEU 17 HD11 LEU 17 8.301 5.365 3.579 90 HD12 LEU 17 HD12 LEU 17 8.878 3.710 3.384 91 HD13 LEU 17 HD13 LEU 17 9.040 4.521 4.944 92 HD21 LEU 17 HD21 LEU 17 7.750 2.542 6.033 93 HD22 LEU 17 HD22 LEU 17 7.671 1.819 4.424 94 HD23 LEU 17 HD23 LEU 17 6.193 2.081 5.341 95 H VAL 18 H VAL 18 3.284 6.515 6.156 96 HA VAL 18 HA VAL 18 4.288 7.384 8.741 97 HB VAL 18 HB VAL 18 3.601 9.034 7.005 98 HG11 VAL 18 HG11 VAL 18 0.754 8.126 7.540 99 HG12 VAL 18 HG12 VAL 18 1.673 7.850 6.062 100 HG13 VAL 18 HG13 VAL 18 1.235 9.492 6.527 101 HG21 VAL 18 HG21 VAL 18 1.955 9.279 9.557 102 HG22 VAL 18 HG22 VAL 18 2.403 10.606 8.477 103 HG23 VAL 18 HG23 VAL 18 3.652 9.744 9.374 104 H GLN 19 H GLN 19 1.985 5.117 7.812 105 HA GLN 19 HA GLN 19 0.656 5.016 10.428 106 HB2 GLN 19 HB3 GLN 19 -1.583 5.047 9.298 107 HB3 GLN 19 HB2 GLN 19 -0.722 6.557 9.124 108 HG2 GLN 19 HG3 GLN 19 0.041 5.694 6.864 109 HG3 GLN 19 HG2 GLN 19 -1.141 4.409 7.036 110 HE21 GLN 19 HE21 GLN 19 -0.855 6.688 5.146 111 HE22 GLN 19 HE22 GLN 19 -2.391 7.493 5.178 112 H CYS 20 H CYS 20 2.289 3.427 8.107 113 HA CYS 20 HA CYS 20 1.232 0.794 8.796 114 HB2 CYS 20 HB3 CYS 20 1.620 1.643 5.892 115 HB3 CYS 20 HB2 CYS 20 1.065 0.080 6.463 116 H ALA 21 H ALA 21 2.725 -0.920 7.833 117 HA ALA 21 HA ALA 21 5.520 -0.198 8.330 118 HB1 ALA 21 HB1 ALA 21 4.569 -2.204 9.420 119 HB2 ALA 21 HB2 ALA 21 5.895 -2.647 8.345 120 HB3 ALA 21 HB3 ALA 21 4.223 -2.917 7.842 121 HA PRO 22 HA PRO 22 7.084 -0.476 3.980 122 HB2 PRO 22 HB3 PRO 22 8.994 -2.460 5.257 123 HB3 PRO 22 HB2 PRO 22 9.345 -1.136 4.122 124 HG2 PRO 22 HG3 PRO 22 9.872 -0.861 6.715 125 HG3 PRO 22 HG2 PRO 22 9.223 0.501 5.771 126 HD2 PRO 22 HD3 PRO 22 7.833 -1.218 7.775 127 HD3 PRO 22 HD2 PRO 22 7.554 0.477 7.374 128 H SER 23 H SER 23 6.228 -3.309 5.915 129 HA SER 23 HA SER 23 6.071 -5.291 3.951 130 HB2 SER 23 HB3 SER 23 4.228 -4.869 6.343 131 HB3 SER 23 HB2 SER 23 4.487 -6.392 5.481 132 HG SER 23 HG SER 23 6.846 -5.828 6.064 133 H ILE 24 H ILE 24 3.664 -2.843 4.915 134 HA ILE 24 HA ILE 24 1.615 -3.676 3.064 135 HB ILE 24 HB ILE 24 1.902 -1.061 4.622 136 HG12 ILE 24 HG13 ILE 24 1.653 -2.944 6.174 137 HG13 ILE 24 HG12 ILE 24 0.164 -1.995 6.153 138 HG21 ILE 24 HG21 ILE 24 0.442 -0.727 2.685 139 HG22 ILE 24 HG22 ILE 24 -0.501 -0.690 4.167 140 HG23 ILE 24 HG23 ILE 24 -0.534 -2.123 3.144 141 HD11 ILE 24 HD11 ILE 24 -0.299 -4.377 6.244 142 HD12 ILE 24 HD12 ILE 24 0.603 -4.645 4.754 143 HD13 ILE 24 HD13 ILE 24 -0.886 -3.697 4.727 144 H CYS 25 H CYS 25 4.007 -1.054 3.215 145 HA CYS 25 HA CYS 25 3.214 0.372 0.916 146 HB2 CYS 25 HB3 CYS 25 6.013 0.317 2.090 147 HB3 CYS 25 HB2 CYS 25 5.229 1.641 1.237 148 H ALA 26 H ALA 26 5.485 -2.306 1.386 149 HA ALA 26 HA ALA 26 6.534 -2.402 -1.270 150 HB1 ALA 26 HB1 ALA 26 6.293 -4.650 0.761 151 HB2 ALA 26 HB2 ALA 26 7.655 -3.538 0.605 152 HB3 ALA 26 HB3 ALA 26 7.291 -4.674 -0.695 153 H GLY 27 H GLY 27 3.514 -3.415 0.137 154 HA2 GLY 27 HA3 GLY 27 2.803 -5.379 -1.858 155 HA3 GLY 27 HA2 GLY 27 1.752 -4.690 -0.628 156 H TRP 28 H TRP 28 2.054 -1.971 -1.235 157 HA TRP 28 HA TRP 28 0.247 -1.767 -3.508 158 HB2 TRP 28 HB3 TRP 28 1.224 0.342 -1.534 159 HB3 TRP 28 HB2 TRP 28 -0.001 0.611 -2.771 160 HD1 TRP 28 HD1 TRP 28 0.199 -0.140 0.772 161 HE1 TRP 28 HE1 TRP 28 -1.996 -1.165 1.663 162 HE3 TRP 28 HE3 TRP 28 -1.986 -1.399 -3.690 163 HZ2 TRP 28 HZ2 TRP 28 -4.300 -2.398 0.611 164 HZ3 TRP 28 HZ3 TRP 28 -4.178 -2.521 -3.658 165 HH2 TRP 28 HH2 TRP 28 -5.311 -3.009 -1.549 166 H CYS 29 H CYS 29 3.253 -0.062 -2.530 167 HA CYS 29 HA CYS 29 3.635 1.208 -5.055 168 HB2 CYS 29 HB3 CYS 29 5.589 0.772 -2.766 169 HB3 CYS 29 HB2 CYS 29 5.845 1.868 -4.126 170 H GLY 30 H GLY 30 5.263 -1.546 -3.477 171 HA2 GLY 30 HA3 GLY 30 7.045 -2.047 -5.675 172 HA3 GLY 30 HA2 GLY 30 6.824 -3.048 -4.249 173 H GLY 31 H GLY 31 4.134 -3.657 -4.400 174 HA2 GLY 31 HA3 GLY 31 2.626 -5.111 -5.313 175 HA3 GLY 31 HA2 GLY 31 3.268 -4.706 -6.899 176 H SER 32 H SER 32 2.987 -6.953 -7.466 177 HA SER 32 HA SER 32 5.395 -8.477 -7.165 178 HB2 SER 32 HB3 SER 32 4.125 -9.116 -5.059 179 HB3 SER 32 HB2 SER 32 2.837 -9.767 -6.072 180 HG SER 32 HG SER 32 3.981 -11.507 -6.271 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 -3.567 -2.784 8.324 2 H2 SER 1 HT2 SER 1 -5.089 -2.302 7.774 3 H3 SER 1 HT3 SER 1 -3.863 -1.159 7.968 4 HA SER 1 HA SER 1 -2.576 -2.174 6.239 5 HB2 SER 1 HB3 SER 1 -3.685 -3.977 4.848 6 HB3 SER 1 HB2 SER 1 -3.296 -4.487 6.490 7 HG SER 1 HG SER 1 -5.802 -3.920 5.343 8 H CYS 2 H CYS 2 -2.740 -1.226 4.186 9 HA CYS 2 HA CYS 2 -4.833 0.704 3.782 10 HB2 CYS 2 HB3 CYS 2 -2.748 -0.174 1.744 11 HB3 CYS 2 HB2 CYS 2 -3.649 1.298 1.772 12 H GLY 3 H GLY 3 -6.111 0.791 1.741 13 HA2 GLY 3 HA3 GLY 3 -7.450 -1.658 1.081 14 HA3 GLY 3 HA2 GLY 3 -7.677 -0.089 0.321 15 H SER 4 H SER 4 -5.519 0.590 -0.843 16 HA SER 4 HA SER 4 -4.015 -0.763 -2.555 17 HB2 SER 4 HB3 SER 4 -5.393 -1.304 -4.593 18 HB3 SER 4 HB2 SER 4 -5.844 -2.299 -3.211 19 HG SER 4 HG SER 4 -7.706 -1.228 -3.007 20 H GLU 5 H GLU 5 -6.062 1.774 -1.789 21 HA GLU 5 HA GLU 5 -5.926 3.392 -4.152 22 HB2 GLU 5 HB3 GLU 5 -7.739 3.600 -2.475 23 HB3 GLU 5 HB2 GLU 5 -6.579 4.145 -1.273 24 HG2 GLU 5 HG3 GLU 5 -6.141 6.179 -2.606 25 HG3 GLU 5 HG2 GLU 5 -7.276 5.629 -3.834 26 H CYS 6 H CYS 6 -3.789 2.829 -1.468 27 HA CYS 6 HA CYS 6 -2.025 5.045 -2.150 28 HB2 CYS 6 HB3 CYS 6 -1.986 2.929 0.021 29 HB3 CYS 6 HB2 CYS 6 -0.654 4.019 -0.276 30 H ALA 7 H ALA 7 -2.391 3.497 -4.271 31 HA ALA 7 HA ALA 7 0.344 2.469 -4.746 32 HB1 ALA 7 HB1 ALA 7 -1.313 0.647 -4.738 33 HB2 ALA 7 HB2 ALA 7 -0.574 0.851 -6.327 34 HB3 ALA 7 HB3 ALA 7 -2.206 1.455 -6.024 35 HA PRO 8 HA PRO 8 -1.244 5.400 -8.435 36 HB2 PRO 8 HB3 PRO 8 -0.660 7.964 -7.036 37 HB3 PRO 8 HB2 PRO 8 -2.094 7.499 -7.945 38 HG2 PRO 8 HG3 PRO 8 -2.091 7.814 -5.260 39 HG3 PRO 8 HG2 PRO 8 -3.170 6.658 -6.086 40 HD2 PRO 8 HD3 PRO 8 -0.598 6.112 -4.615 41 HD3 PRO 8 HD2 PRO 8 -2.106 5.188 -4.643 42 H GLU 9 H GLU 9 1.040 6.452 -5.960 43 HA GLU 9 HA GLU 9 2.794 7.657 -7.851 44 HB2 GLU 9 HB3 GLU 9 3.037 7.327 -4.828 45 HB3 GLU 9 HB2 GLU 9 3.991 8.397 -5.842 46 HG2 GLU 9 HG3 GLU 9 1.795 9.570 -6.460 47 HG3 GLU 9 HG2 GLU 9 1.034 8.583 -5.223 48 HA PRO 10 HA PRO 10 5.777 4.253 -8.041 49 HB2 PRO 10 HB3 PRO 10 8.146 5.704 -8.245 50 HB3 PRO 10 HB2 PRO 10 7.053 5.393 -9.609 51 HG2 PRO 10 HG3 PRO 10 7.259 7.846 -7.887 52 HG3 PRO 10 HG2 PRO 10 7.070 7.717 -9.652 53 HD2 PRO 10 HD3 PRO 10 4.968 8.275 -8.067 54 HD3 PRO 10 HD2 PRO 10 4.789 7.264 -9.518 55 H ASP 11 H ASP 11 6.215 6.937 -5.848 56 HA ASP 11 HA ASP 11 7.462 5.226 -3.793 57 HB2 ASP 11 HB3 ASP 11 8.187 7.324 -2.715 58 HB3 ASP 11 HB2 ASP 11 8.763 7.245 -4.374 59 H CYS 12 H CYS 12 5.068 4.482 -4.058 60 HA CYS 12 HA CYS 12 2.865 5.780 -2.912 61 HB2 CYS 12 HB3 CYS 12 1.855 3.615 -2.794 62 HB3 CYS 12 HB2 CYS 12 2.804 3.661 -4.264 63 H TRP 13 H TRP 13 5.612 4.475 -1.336 64 HA TRP 13 HA TRP 13 4.919 3.752 1.191 65 HB2 TRP 13 HB3 TRP 13 7.210 5.613 0.472 66 HB3 TRP 13 HB2 TRP 13 7.112 4.580 1.824 67 HD1 TRP 13 HD1 TRP 13 7.961 4.538 -1.838 68 HE1 TRP 13 HE1 TRP 13 9.008 2.262 -2.463 69 HE3 TRP 13 HE3 TRP 13 7.174 2.121 2.516 70 HZ2 TRP 13 HZ2 TRP 13 9.447 -0.245 -1.230 71 HZ3 TRP 13 HZ3 TRP 13 7.920 -0.228 2.757 72 HH2 TRP 13 HH2 TRP 13 9.038 -1.382 0.917 73 H GLY 14 H GLY 14 4.929 6.970 -0.210 74 HA2 GLY 14 HA3 GLY 14 4.807 8.518 2.204 75 HA3 GLY 14 HA2 GLY 14 4.396 9.079 0.591 76 H CYS 15 H CYS 15 2.376 7.049 0.173 77 HA CYS 15 HA CYS 15 0.077 8.366 1.379 78 HB2 CYS 15 HB3 CYS 15 0.171 7.546 -1.020 79 HB3 CYS 15 HB2 CYS 15 0.154 5.910 -0.431 80 H CYS 16 H CYS 16 1.668 5.292 1.392 81 HA CYS 16 HA CYS 16 -0.374 3.905 2.890 82 HB2 CYS 16 HB3 CYS 16 0.511 2.676 1.125 83 HB3 CYS 16 HB2 CYS 16 2.152 3.181 1.423 84 H LEU 17 H LEU 17 3.168 4.403 3.420 85 HA LEU 17 HA LEU 17 3.376 3.220 5.911 86 HB2 LEU 17 HB3 LEU 17 5.009 5.404 4.620 87 HB3 LEU 17 HB2 LEU 17 5.397 4.877 6.252 88 HG LEU 17 HG LEU 17 5.444 3.126 3.761 89 HD11 LEU 17 HD11 LEU 17 7.348 4.665 3.859 90 HD12 LEU 17 HD12 LEU 17 7.866 3.005 4.154 91 HD13 LEU 17 HD13 LEU 17 7.710 4.132 5.503 92 HD21 LEU 17 HD21 LEU 17 6.107 2.413 6.635 93 HD22 LEU 17 HD22 LEU 17 6.364 1.383 5.225 94 HD23 LEU 17 HD23 LEU 17 4.728 1.819 5.702 95 H VAL 18 H VAL 18 1.996 6.370 5.320 96 HA VAL 18 HA VAL 18 2.530 7.517 7.886 97 HB VAL 18 HB VAL 18 2.025 8.964 5.973 98 HG11 VAL 18 HG11 VAL 18 -0.209 9.150 4.981 99 HG12 VAL 18 HG12 VAL 18 -0.791 7.835 6.005 100 HG13 VAL 18 HG13 VAL 18 0.438 7.521 4.778 101 HG21 VAL 18 HG21 VAL 18 -0.131 9.255 8.108 102 HG22 VAL 18 HG22 VAL 18 0.413 10.527 7.007 103 HG23 VAL 18 HG23 VAL 18 1.520 9.876 8.215 104 H GLN 19 H GLN 19 0.210 5.201 6.786 105 HA GLN 19 HA GLN 19 -1.117 5.120 9.407 106 HB2 GLN 19 HB3 GLN 19 -3.348 4.880 8.095 107 HB3 GLN 19 HB2 GLN 19 -2.641 6.476 8.239 108 HG2 GLN 19 HG3 GLN 19 -3.278 6.412 5.993 109 HG3 GLN 19 HG2 GLN 19 -1.576 6.024 5.926 110 HE21 GLN 19 HE21 GLN 19 -1.681 4.990 4.000 111 HE22 GLN 19 HE22 GLN 19 -2.498 3.482 3.763 112 H CYS 20 H CYS 20 0.455 3.413 7.006 113 HA CYS 20 HA CYS 20 -0.605 0.800 7.932 114 HB2 CYS 20 HB3 CYS 20 0.321 1.427 5.092 115 HB3 CYS 20 HB2 CYS 20 -0.134 -0.158 5.678 116 H ALA 21 H ALA 21 1.025 -0.966 7.311 117 HA ALA 21 HA ALA 21 3.678 -0.318 8.322 118 HB1 ALA 21 HB1 ALA 21 2.435 -2.231 9.276 119 HB2 ALA 21 HB2 ALA 21 3.902 -2.791 8.474 120 HB3 ALA 21 HB3 ALA 21 2.338 -2.983 7.679 121 HA PRO 22 HA PRO 22 5.832 -0.526 4.309 122 HB2 PRO 22 HB3 PRO 22 8.062 -2.104 4.957 123 HB3 PRO 22 HB2 PRO 22 7.917 -0.370 5.308 124 HG2 PRO 22 HG3 PRO 22 7.392 -2.701 7.126 125 HG3 PRO 22 HG2 PRO 22 8.252 -1.178 7.462 126 HD2 PRO 22 HD3 PRO 22 5.734 -1.504 8.285 127 HD3 PRO 22 HD2 PRO 22 6.264 0.059 7.651 128 H SER 23 H SER 23 4.868 -3.474 5.931 129 HA SER 23 HA SER 23 5.240 -5.390 3.940 130 HB2 SER 23 HB3 SER 23 4.420 -5.919 6.209 131 HB3 SER 23 HB2 SER 23 2.903 -5.083 5.877 132 HG SER 23 HG SER 23 3.677 -7.138 4.139 133 H ILE 24 H ILE 24 2.674 -2.960 4.314 134 HA ILE 24 HA ILE 24 1.078 -3.922 2.108 135 HB ILE 24 HB ILE 24 0.876 -1.191 3.463 136 HG12 ILE 24 HG13 ILE 24 0.618 -2.724 5.295 137 HG13 ILE 24 HG12 ILE 24 -1.013 -2.214 4.820 138 HG21 ILE 24 HG21 ILE 24 -0.341 -1.329 1.370 139 HG22 ILE 24 HG22 ILE 24 -1.473 -1.268 2.718 140 HG23 ILE 24 HG23 ILE 24 -1.161 -2.800 1.898 141 HD11 ILE 24 HD11 ILE 24 -1.288 -4.365 3.624 142 HD12 ILE 24 HD12 ILE 24 -0.972 -4.574 5.345 143 HD13 ILE 24 HD13 ILE 24 0.314 -4.864 4.176 144 H CYS 25 H CYS 25 3.201 -1.161 2.740 145 HA CYS 25 HA CYS 25 2.804 0.230 0.323 146 HB2 CYS 25 HB3 CYS 25 5.308 0.407 2.003 147 HB3 CYS 25 HB2 CYS 25 4.522 1.682 1.089 148 H ALA 26 H ALA 26 5.177 -2.226 1.286 149 HA ALA 26 HA ALA 26 6.835 -2.105 -1.036 150 HB1 ALA 26 HB1 ALA 26 6.403 -4.427 0.877 151 HB2 ALA 26 HB2 ALA 26 7.603 -3.147 1.053 152 HB3 ALA 26 HB3 ALA 26 7.722 -4.280 -0.292 153 H GLY 27 H GLY 27 3.684 -3.393 -0.494 154 HA2 GLY 27 HA3 GLY 27 3.757 -5.453 -2.547 155 HA3 GLY 27 HA2 GLY 27 2.359 -4.921 -1.622 156 H TRP 28 H TRP 28 2.671 -2.135 -2.197 157 HA TRP 28 HA TRP 28 1.315 -2.123 -4.787 158 HB2 TRP 28 HB3 TRP 28 1.562 0.053 -2.672 159 HB3 TRP 28 HB2 TRP 28 0.529 0.117 -4.094 160 HD1 TRP 28 HD1 TRP 28 0.040 -0.288 -0.625 161 HE1 TRP 28 HE1 TRP 28 -1.972 -1.755 -0.026 162 HE3 TRP 28 HE3 TRP 28 -0.679 -2.639 -5.139 163 HZ2 TRP 28 HZ2 TRP 28 -3.618 -3.656 -1.238 164 HZ3 TRP 28 HZ3 TRP 28 -2.503 -4.284 -5.316 165 HH2 TRP 28 HH2 TRP 28 -3.943 -4.782 -3.404 166 H CYS 29 H CYS 29 4.087 -0.515 -3.208 167 HA CYS 29 HA CYS 29 4.840 1.125 -5.412 168 HB2 CYS 29 HB3 CYS 29 6.211 0.241 -2.885 169 HB3 CYS 29 HB2 CYS 29 7.155 1.063 -4.124 170 H GLY 30 H GLY 30 6.594 -1.667 -4.045 171 HA2 GLY 30 HA3 GLY 30 7.318 -2.881 -6.480 172 HA3 GLY 30 HA2 GLY 30 8.578 -1.770 -5.979 173 H GLY 31 H GLY 31 7.828 -4.903 -5.895 174 HA2 GLY 31 HA3 GLY 31 9.573 -6.127 -4.416 175 HA3 GLY 31 HA2 GLY 31 8.613 -5.454 -3.100 176 H SER 32 H SER 32 6.107 -5.631 -4.439 177 HA SER 32 HA SER 32 4.335 -6.906 -4.915 178 HB2 SER 32 HB3 SER 32 6.335 -9.074 -5.673 179 HB3 SER 32 HB2 SER 32 4.616 -9.079 -6.070 180 HG SER 32 HG SER 32 5.321 -6.841 -7.007
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