NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607209 | 2n6n | 25774 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.974 0.217 0.787 2 H2 GLY 1 H2 GLY 1 0.580 0.719 -0.041 3 H3 GLY 1 H3 GLY 1 0.904 -0.937 0.150 4 HA2 GLY 1 HA2 GLY 1 2.525 0.982 -1.387 5 HA3 GLY 1 HA3 GLY 1 2.861 -0.748 -1.187 6 H TYR 2 H TYR 2 0.481 1.593 -2.431 7 HA TYR 2 HA TYR 2 -0.168 -0.409 -4.546 8 HB2 TYR 2 HB2 TYR 2 -2.561 0.417 -4.435 9 HB3 TYR 2 HB3 TYR 2 -2.030 -0.552 -3.043 10 HD1 TYR 2 HD1 TYR 2 -1.538 0.572 -0.882 11 HD2 TYR 2 HD2 TYR 2 -3.217 2.692 -4.166 12 HE1 TYR 2 HE1 TYR 2 -2.228 2.373 0.642 13 HE2 TYR 2 HE2 TYR 2 -3.911 4.501 -2.651 14 HH TYR 2 HH TYR 2 -3.892 5.288 -0.582 15 H CYS 3 H CYS 3 -1.809 0.901 -6.153 16 HA CYS 3 HA CYS 3 -0.724 3.620 -6.597 17 HB2 CYS 3 HB2 CYS 3 -0.351 3.011 -9.052 18 HB3 CYS 3 HB3 CYS 3 0.840 2.383 -7.893 19 H ALA 4 H ALA 4 -1.934 4.863 -8.160 20 HA ALA 4 HA ALA 4 -4.781 4.132 -8.058 21 HB1 ALA 4 HB1 ALA 4 -4.745 6.466 -9.426 22 HB2 ALA 4 HB2 ALA 4 -4.716 6.355 -7.650 23 HB3 ALA 4 HB3 ALA 4 -3.198 6.587 -8.552 24 H GLU 5 H GLU 5 -6.169 3.951 -9.839 25 HA GLU 5 HA GLU 5 -4.759 3.007 -12.281 26 HB2 GLU 5 HB2 GLU 5 -7.292 2.349 -10.906 27 HB3 GLU 5 HB3 GLU 5 -7.424 2.446 -12.673 28 HG2 GLU 5 HG2 GLU 5 -5.446 0.737 -11.145 29 HG3 GLU 5 HG3 GLU 5 -6.956 0.167 -11.893 30 H LYS 6 H LYS 6 -6.281 3.316 -14.332 31 HA LYS 6 HA LYS 6 -6.099 6.037 -15.038 32 HB2 LYS 6 HB2 LYS 6 -6.338 3.977 -16.548 33 HB3 LYS 6 HB3 LYS 6 -8.085 4.099 -16.262 34 HG2 LYS 6 HG2 LYS 6 -7.811 6.548 -17.067 35 HG3 LYS 6 HG3 LYS 6 -6.262 5.979 -17.739 36 HD2 LYS 6 HD2 LYS 6 -7.346 4.394 -19.140 37 HD3 LYS 6 HD3 LYS 6 -8.897 4.594 -18.287 38 HE2 LYS 6 HE2 LYS 6 -9.130 5.790 -20.310 39 HE3 LYS 6 HE3 LYS 6 -8.837 7.023 -19.060 40 HZ1 LYS 6 HZ1 LYS 6 -6.994 6.039 -21.155 41 HZ2 LYS 6 HZ2 LYS 6 -6.399 6.794 -19.764 42 HZ3 LYS 6 HZ3 LYS 6 -7.443 7.630 -20.799 43 H GLY 7 H GLY 7 -7.218 7.772 -14.478 44 HA2 GLY 7 HA2 GLY 7 -9.234 9.014 -14.233 45 HA3 GLY 7 HA3 GLY 7 -10.142 7.499 -14.063 46 H ILE 8 H ILE 8 -7.936 6.625 -12.092 47 HA ILE 8 HA ILE 8 -9.374 7.560 -9.736 48 HB ILE 8 HB ILE 8 -6.824 5.918 -9.900 49 HG12 ILE 8 HG12 ILE 8 -8.651 4.831 -11.122 50 HG13 ILE 8 HG13 ILE 8 -8.324 3.965 -9.605 51 HG21 ILE 8 HG21 ILE 8 -8.524 5.382 -7.632 52 HG22 ILE 8 HG22 ILE 8 -6.821 5.894 -7.673 53 HG23 ILE 8 HG23 ILE 8 -8.118 7.114 -7.701 54 HD11 ILE 8 HD11 ILE 8 -10.257 4.997 -8.565 55 HD12 ILE 8 HD12 ILE 8 -10.566 5.951 -10.036 56 HD13 ILE 8 HD13 ILE 8 -10.724 4.179 -10.075 57 H LYS 9 H LYS 9 -9.085 9.620 -9.142 58 HA LYS 9 HA LYS 9 -6.802 11.195 -9.579 59 HB2 LYS 9 HB2 LYS 9 -8.878 11.308 -7.363 60 HB3 LYS 9 HB3 LYS 9 -7.658 12.569 -7.628 61 HG2 LYS 9 HG2 LYS 9 -9.301 13.505 -8.852 62 HG3 LYS 9 HG3 LYS 9 -8.693 12.406 -10.113 63 HD2 LYS 9 HD2 LYS 9 -10.451 10.907 -9.836 64 HD3 LYS 9 HD3 LYS 9 -10.810 11.477 -8.188 65 HE2 LYS 9 HE2 LYS 9 -11.206 13.174 -10.664 66 HE3 LYS 9 HE3 LYS 9 -12.477 12.136 -9.976 67 HZ1 LYS 9 HZ1 LYS 9 -11.500 14.691 -9.071 68 HZ2 LYS 9 HZ2 LYS 9 -11.601 13.546 -7.830 69 HZ3 LYS 9 HZ3 LYS 9 -12.971 13.920 -8.751 70 H CYS 10 H CYS 10 -5.178 12.004 -8.109 71 HA CYS 10 HA CYS 10 -4.573 10.252 -5.799 72 HB2 CYS 10 HB2 CYS 10 -2.160 10.087 -6.614 73 HB3 CYS 10 HB3 CYS 10 -3.349 9.098 -7.488 74 H HIS 11 H HIS 11 -3.587 11.282 -4.146 75 HA HIS 11 HA HIS 11 -3.162 14.192 -4.527 76 HB2 HIS 11 HB2 HIS 11 -3.280 12.488 -2.007 77 HB3 HIS 11 HB3 HIS 11 -3.096 14.256 -2.039 78 HD2 HIS 11 HD2 HIS 11 -5.548 14.293 -4.557 79 HE1 HIS 11 HE1 HIS 11 -7.920 13.339 -1.172 80 HE2 HIS 11 HE2 HIS 11 -7.959 14.185 -3.572 81 H ASN 12 H ASN 12 -1.487 11.353 -3.111 82 HA ASN 12 HA ASN 12 1.083 12.722 -3.762 83 HB2 ASN 12 HB2 ASN 12 0.219 12.634 -1.207 84 HB3 ASN 12 HB3 ASN 12 0.998 11.039 -1.294 85 HD21 ASN 12 HD21 ASN 12 3.167 10.871 -1.296 86 HD22 ASN 12 HD22 ASN 12 4.269 12.286 -1.180 87 H ILE 13 H ILE 13 -0.863 10.232 -4.434 88 HA ILE 13 HA ILE 13 1.326 8.210 -4.529 89 HB ILE 13 HB ILE 13 -0.906 7.593 -3.518 90 HG12 ILE 13 HG12 ILE 13 -0.355 5.932 -5.988 91 HG13 ILE 13 HG13 ILE 13 0.823 6.021 -4.662 92 HG21 ILE 13 HG21 ILE 13 -2.770 7.124 -5.039 93 HG22 ILE 13 HG22 ILE 13 -2.329 8.848 -5.071 94 HG23 ILE 13 HG23 ILE 13 -1.829 7.777 -6.403 95 HD11 ILE 13 HD11 ILE 13 -0.278 4.391 -3.648 96 HD12 ILE 13 HD12 ILE 13 -1.671 5.485 -3.466 97 HD13 ILE 13 HD13 ILE 13 -1.550 4.426 -4.891 98 H HIS 14 H HIS 14 1.631 6.946 -6.468 99 HA HIS 14 HA HIS 14 1.117 8.611 -8.892 100 HB2 HIS 14 HB2 HIS 14 3.144 6.373 -8.526 101 HB3 HIS 14 HB3 HIS 14 3.030 7.501 -9.895 102 HD2 HIS 14 HD2 HIS 14 2.655 10.045 -7.475 103 HE1 HIS 14 HE1 HIS 14 6.779 9.140 -7.060 104 HE2 HIS 14 HE2 HIS 14 4.959 10.847 -6.557 105 H CYS 15 H CYS 15 0.509 7.607 -10.870 106 HA CYS 15 HA CYS 15 -1.471 5.528 -10.474 107 HB2 CYS 15 HB2 CYS 15 -0.386 6.552 -13.120 108 HB3 CYS 15 HB3 CYS 15 -1.966 5.802 -12.810 109 H CYS 16 H CYS 16 -1.537 3.438 -11.336 110 HA CYS 16 HA CYS 16 0.857 1.949 -11.087 111 HB2 CYS 16 HB2 CYS 16 -1.624 1.169 -12.666 112 HB3 CYS 16 HB3 CYS 16 -0.411 0.069 -11.977 113 H SER 17 H SER 17 1.452 0.311 -12.980 114 HA SER 17 HA SER 17 2.955 1.787 -14.845 115 HB2 SER 17 HB2 SER 17 3.179 -0.390 -16.079 116 HB3 SER 17 HB3 SER 17 3.490 -0.527 -14.333 117 HG SER 17 HG SER 17 2.125 -2.214 -15.131 118 H GLY 18 H GLY 18 2.705 2.440 -16.940 119 HA2 GLY 18 HA2 GLY 18 1.564 2.570 -19.029 120 HA3 GLY 18 HA3 GLY 18 0.142 1.805 -18.294 121 H LEU 19 H LEU 19 0.496 3.751 -15.946 122 HA LEU 19 HA LEU 19 -0.647 6.135 -17.346 123 HB2 LEU 19 HB2 LEU 19 -1.504 5.080 -14.640 124 HB3 LEU 19 HB3 LEU 19 -2.237 6.410 -15.566 125 HG LEU 19 HG LEU 19 -2.197 3.666 -16.768 126 HD11 LEU 19 HD11 LEU 19 -4.036 4.586 -14.545 127 HD12 LEU 19 HD12 LEU 19 -2.976 3.156 -14.564 128 HD13 LEU 19 HD13 LEU 19 -4.392 3.226 -15.638 129 HD21 LEU 19 HD21 LEU 19 -4.673 4.989 -17.037 130 HD22 LEU 19 HD22 LEU 19 -3.412 4.765 -18.274 131 HD23 LEU 19 HD23 LEU 19 -3.417 6.230 -17.261 132 H THR 20 H THR 20 -0.462 8.167 -16.197 133 HA THR 20 HA THR 20 1.723 8.173 -14.164 134 HB THR 20 HB THR 20 1.577 10.163 -16.453 135 HG1 THR 20 HG1 THR 20 3.426 8.984 -17.261 136 HG21 THR 20 HG21 THR 20 3.865 9.555 -14.559 137 HG22 THR 20 HG22 THR 20 2.659 10.830 -14.256 138 HG23 THR 20 HG23 THR 20 3.708 10.920 -15.691 139 H CYS 21 H CYS 21 1.534 9.649 -12.548 140 HA CYS 21 HA CYS 21 -1.071 10.814 -12.143 141 HB2 CYS 21 HB2 CYS 21 0.769 10.024 -10.428 142 HB3 CYS 21 HB3 CYS 21 1.362 11.691 -10.595 143 H LYS 22 H LYS 22 -1.449 12.177 -13.919 144 HA LYS 22 HA LYS 22 0.335 14.536 -14.172 145 HB2 LYS 22 HB2 LYS 22 -1.867 13.345 -15.862 146 HB3 LYS 22 HB3 LYS 22 -1.348 15.024 -16.111 147 HG2 LYS 22 HG2 LYS 22 0.641 12.764 -16.092 148 HG3 LYS 22 HG3 LYS 22 -0.287 13.176 -17.555 149 HD2 LYS 22 HD2 LYS 22 0.656 15.339 -17.672 150 HD3 LYS 22 HD3 LYS 22 1.279 15.244 -16.007 151 HE2 LYS 22 HE2 LYS 22 2.940 13.646 -16.632 152 HE3 LYS 22 HE3 LYS 22 2.205 13.418 -18.237 153 HZ1 LYS 22 HZ1 LYS 22 2.710 15.863 -18.592 154 HZ2 LYS 22 HZ2 LYS 22 4.037 14.815 -18.575 155 HZ3 LYS 22 HZ3 LYS 22 3.698 15.772 -17.221 156 H CYS 23 H CYS 23 -0.357 16.657 -13.935 157 HA CYS 23 HA CYS 23 -3.092 17.032 -12.821 158 HB2 CYS 23 HB2 CYS 23 -0.472 17.800 -11.511 159 HB3 CYS 23 HB3 CYS 23 -1.982 18.660 -11.142 160 H LYS 24 H LYS 24 -4.064 18.439 -14.100 161 HA LYS 24 HA LYS 24 -2.401 20.607 -15.304 162 HB2 LYS 24 HB2 LYS 24 -3.550 19.124 -16.909 163 HB3 LYS 24 HB3 LYS 24 -5.108 19.516 -16.157 164 HG2 LYS 24 HG2 LYS 24 -5.065 20.882 -18.032 165 HG3 LYS 24 HG3 LYS 24 -4.520 21.968 -16.730 166 HD2 LYS 24 HD2 LYS 24 -2.967 22.408 -18.390 167 HD3 LYS 24 HD3 LYS 24 -2.131 21.156 -17.439 168 HE2 LYS 24 HE2 LYS 24 -3.883 20.316 -19.720 169 HE3 LYS 24 HE3 LYS 24 -2.284 21.014 -20.077 170 HZ1 LYS 24 HZ1 LYS 24 -1.657 18.876 -19.840 171 HZ2 LYS 24 HZ2 LYS 24 -2.971 18.456 -18.862 172 HZ3 LYS 24 HZ3 LYS 24 -1.639 19.254 -18.191 173 H GLY 25 H GLY 25 -2.429 22.254 -13.865 174 HA2 GLY 25 HA2 GLY 25 -3.401 24.206 -13.002 175 HA3 GLY 25 HA3 GLY 25 -4.991 23.643 -13.550 176 H SER 26 H SER 26 -6.409 23.082 -12.049 177 HA SER 26 HA SER 26 -5.321 22.465 -9.333 178 HB2 SER 26 HB2 SER 26 -8.059 23.571 -10.079 179 HB3 SER 26 HB3 SER 26 -7.435 23.316 -8.431 180 HG SER 26 HG SER 26 -7.222 25.508 -9.136 181 H SER 27 H SER 27 -5.755 20.611 -11.627 182 HA SER 27 HA SER 27 -7.697 18.802 -10.246 183 HB2 SER 27 HB2 SER 27 -7.421 19.522 -13.141 184 HB3 SER 27 HB3 SER 27 -7.821 17.834 -12.748 185 HG SER 27 HG SER 27 -9.699 19.157 -13.013 186 H CYS 28 H CYS 28 -7.245 16.559 -10.312 187 HA CYS 28 HA CYS 28 -4.520 15.831 -11.249 188 HB2 CYS 28 HB2 CYS 28 -5.569 15.643 -8.424 189 HB3 CYS 28 HB3 CYS 28 -4.360 14.482 -9.012 190 H VAL 29 H VAL 29 -5.022 14.372 -12.761 191 HA VAL 29 HA VAL 29 -6.614 12.023 -11.856 192 HB VAL 29 HB VAL 29 -6.980 13.308 -14.582 193 HG11 VAL 29 HG11 VAL 29 -9.123 11.760 -14.294 194 HG12 VAL 29 HG12 VAL 29 -7.581 11.124 -14.920 195 HG13 VAL 29 HG13 VAL 29 -8.027 10.865 -13.216 196 HG21 VAL 29 HG21 VAL 29 -8.412 13.704 -11.986 197 HG22 VAL 29 HG22 VAL 29 -8.068 14.863 -13.292 198 HG23 VAL 29 HG23 VAL 29 -9.371 13.665 -13.486 199 H CYS 30 H CYS 30 -6.123 10.060 -12.879 200 HA CYS 30 HA CYS 30 -3.365 9.909 -13.795 201 HB2 CYS 30 HB2 CYS 30 -5.576 7.865 -13.436 202 HB3 CYS 30 HB3 CYS 30 -3.980 7.435 -14.086 203 H ARG 31 H ARG 31 -2.718 10.317 -15.787 204 HA ARG 31 HA ARG 31 -4.571 9.566 -18.014 205 HB2 ARG 31 HB2 ARG 31 -2.567 11.838 -18.124 206 HB3 ARG 31 HB3 ARG 31 -3.888 11.484 -19.256 207 HG2 ARG 31 HG2 ARG 31 -4.188 12.418 -16.390 208 HG3 ARG 31 HG3 ARG 31 -4.420 13.404 -17.856 209 HD2 ARG 31 HD2 ARG 31 -6.120 11.463 -18.466 210 HD3 ARG 31 HD3 ARG 31 -6.136 11.238 -16.700 211 HE ARG 31 HE ARG 31 -6.485 13.994 -17.204 212 HH11 ARG 31 HH11 ARG 31 -8.146 10.932 -17.776 213 HH12 ARG 31 HH12 ARG 31 -9.757 11.658 -17.738 214 HH21 ARG 31 HH21 ARG 31 -8.566 14.925 -17.157 215 HH22 ARG 31 HH22 ARG 31 -9.993 13.910 -17.390 216 H LYS 32 H LYS 32 -3.660 8.731 -19.904 217 HA LYS 32 HA LYS 32 -1.400 7.048 -19.512 218 HB2 LYS 32 HB2 LYS 32 -2.661 8.019 -22.105 219 HB3 LYS 32 HB3 LYS 32 -1.534 6.656 -21.959 220 HG2 LYS 32 HG2 LYS 32 -3.202 5.592 -20.385 221 HG3 LYS 32 HG3 LYS 32 -4.341 6.874 -20.863 222 HD2 LYS 32 HD2 LYS 32 -2.987 4.920 -22.750 223 HD3 LYS 32 HD3 LYS 32 -4.666 4.804 -22.167 224 HE2 LYS 32 HE2 LYS 32 -4.817 7.262 -23.121 225 HE3 LYS 32 HE3 LYS 32 -3.432 6.731 -24.104 226 HZ1 LYS 32 HZ1 LYS 32 -5.887 6.387 -24.917 227 HZ2 LYS 32 HZ2 LYS 32 -5.796 4.992 -23.967 228 HZ3 LYS 32 HZ3 LYS 32 -4.698 5.225 -25.232 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 4.824 -0.887 -3.301 2 H2 GLY 1 H2 GLY 1 3.768 -0.767 -4.624 3 H3 GLY 1 H3 GLY 1 3.808 0.464 -3.456 4 HA2 GLY 1 HA2 GLY 1 3.037 -2.321 -2.912 5 HA3 GLY 1 HA3 GLY 1 2.925 -0.935 -1.811 6 H TYR 2 H TYR 2 1.891 1.034 -3.420 7 HA TYR 2 HA TYR 2 -0.640 -0.146 -4.469 8 HB2 TYR 2 HB2 TYR 2 -0.831 0.720 -2.052 9 HB3 TYR 2 HB3 TYR 2 -0.615 2.344 -2.740 10 HD1 TYR 2 HD2 TYR 2 -2.579 -0.622 -3.913 11 HD2 TYR 2 HD1 TYR 2 -2.647 3.439 -2.648 12 HE1 TYR 2 HE2 TYR 2 -4.984 -0.517 -4.407 13 HE2 TYR 2 HE1 TYR 2 -5.055 3.556 -3.136 14 HH TYR 2 HH TYR 2 -6.768 0.822 -4.630 15 H CYS 3 H CYS 3 -1.896 1.365 -5.806 16 HA CYS 3 HA CYS 3 -0.649 3.801 -6.744 17 HB2 CYS 3 HB2 CYS 3 -0.261 3.012 -9.092 18 HB3 CYS 3 HB3 CYS 3 0.854 2.298 -7.907 19 H ALA 4 H ALA 4 -1.943 4.957 -8.237 20 HA ALA 4 HA ALA 4 -4.773 4.164 -8.071 21 HB1 ALA 4 HB1 ALA 4 -4.692 6.401 -7.673 22 HB2 ALA 4 HB2 ALA 4 -3.262 6.647 -8.704 23 HB3 ALA 4 HB3 ALA 4 -4.870 6.463 -9.443 24 H GLU 5 H GLU 5 -6.199 4.032 -9.864 25 HA GLU 5 HA GLU 5 -4.799 3.033 -12.297 26 HB2 GLU 5 HB2 GLU 5 -7.563 2.578 -11.146 27 HB3 GLU 5 HB3 GLU 5 -7.166 2.146 -12.821 28 HG2 GLU 5 HG2 GLU 5 -5.610 0.518 -12.153 29 HG3 GLU 5 HG3 GLU 5 -5.533 1.151 -10.492 30 H LYS 6 H LYS 6 -6.501 3.255 -14.286 31 HA LYS 6 HA LYS 6 -6.315 5.960 -15.085 32 HB2 LYS 6 HB2 LYS 6 -6.722 3.750 -16.448 33 HB3 LYS 6 HB3 LYS 6 -8.438 4.132 -16.205 34 HG2 LYS 6 HG2 LYS 6 -8.168 6.263 -17.321 35 HG3 LYS 6 HG3 LYS 6 -6.413 5.994 -17.471 36 HD2 LYS 6 HD2 LYS 6 -7.380 5.456 -19.583 37 HD3 LYS 6 HD3 LYS 6 -6.958 3.913 -18.801 38 HE2 LYS 6 HE2 LYS 6 -9.706 5.035 -18.397 39 HE3 LYS 6 HE3 LYS 6 -9.310 4.283 -19.961 40 HZ1 LYS 6 HZ1 LYS 6 -9.574 2.301 -19.039 41 HZ2 LYS 6 HZ2 LYS 6 -9.996 3.015 -17.565 42 HZ3 LYS 6 HZ3 LYS 6 -8.381 2.624 -17.883 43 H GLY 7 H GLY 7 -7.367 7.705 -14.442 44 HA2 GLY 7 HA2 GLY 7 -9.352 8.983 -14.134 45 HA3 GLY 7 HA3 GLY 7 -10.282 7.485 -13.936 46 H ILE 8 H ILE 8 -8.034 6.562 -12.040 47 HA ILE 8 HA ILE 8 -9.378 7.505 -9.636 48 HB ILE 8 HB ILE 8 -6.834 5.863 -9.874 49 HG12 ILE 8 HG12 ILE 8 -8.715 4.810 -11.076 50 HG13 ILE 8 HG13 ILE 8 -8.296 3.899 -9.609 51 HG21 ILE 8 HG21 ILE 8 -8.468 5.277 -7.582 52 HG22 ILE 8 HG22 ILE 8 -6.784 5.850 -7.651 53 HG23 ILE 8 HG23 ILE 8 -8.125 7.022 -7.640 54 HD11 ILE 8 HD11 ILE 8 -10.276 5.778 -8.871 55 HD12 ILE 8 HD12 ILE 8 -10.808 5.019 -10.390 56 HD13 ILE 8 HD13 ILE 8 -10.414 4.008 -8.980 57 H LYS 9 H LYS 9 -9.061 9.566 -9.056 58 HA LYS 9 HA LYS 9 -6.774 11.120 -9.558 59 HB2 LYS 9 HB2 LYS 9 -8.798 11.272 -7.297 60 HB3 LYS 9 HB3 LYS 9 -7.580 12.523 -7.611 61 HG2 LYS 9 HG2 LYS 9 -9.279 13.442 -8.785 62 HG3 LYS 9 HG3 LYS 9 -8.664 12.361 -10.061 63 HD2 LYS 9 HD2 LYS 9 -10.405 10.861 -9.820 64 HD3 LYS 9 HD3 LYS 9 -10.716 11.329 -8.131 65 HE2 LYS 9 HE2 LYS 9 -11.809 13.329 -8.782 66 HE3 LYS 9 HE3 LYS 9 -11.210 13.202 -10.453 67 HZ1 LYS 9 HZ1 LYS 9 -13.639 12.350 -9.549 68 HZ2 LYS 9 HZ2 LYS 9 -12.750 10.916 -9.647 69 HZ3 LYS 9 HZ3 LYS 9 -12.915 11.903 -11.012 70 H CYS 10 H CYS 10 -5.164 11.974 -8.051 71 HA CYS 10 HA CYS 10 -4.517 10.208 -5.770 72 HB2 CYS 10 HB2 CYS 10 -2.115 10.038 -6.613 73 HB3 CYS 10 HB3 CYS 10 -3.316 9.049 -7.471 74 H HIS 11 H HIS 11 -3.509 11.239 -4.130 75 HA HIS 11 HA HIS 11 -3.085 14.148 -4.522 76 HB2 HIS 11 HB2 HIS 11 -3.244 12.418 -2.026 77 HB3 HIS 11 HB3 HIS 11 -2.931 14.166 -2.007 78 HD2 HIS 11 HD2 HIS 11 -5.498 13.841 -4.635 79 HE1 HIS 11 HE1 HIS 11 -7.723 14.038 -1.029 80 HE2 HIS 11 HE2 HIS 11 -7.848 14.201 -3.566 81 H ASN 12 H ASN 12 -1.397 11.309 -3.121 82 HA ASN 12 HA ASN 12 1.166 12.673 -3.805 83 HB2 ASN 12 HB2 ASN 12 0.373 12.650 -1.254 84 HB3 ASN 12 HB3 ASN 12 1.040 11.004 -1.315 85 HD21 ASN 12 HD21 ASN 12 3.030 10.870 -0.627 86 HD22 ASN 12 HD22 ASN 12 4.292 12.135 -0.824 87 H ILE 13 H ILE 13 -0.791 10.185 -4.449 88 HA ILE 13 HA ILE 13 1.393 8.158 -4.568 89 HB ILE 13 HB ILE 13 -0.828 7.547 -3.527 90 HG12 ILE 13 HG12 ILE 13 -0.271 5.895 -6.009 91 HG13 ILE 13 HG13 ILE 13 0.874 5.957 -4.650 92 HG21 ILE 13 HG21 ILE 13 -1.785 7.728 -6.401 93 HG22 ILE 13 HG22 ILE 13 -2.710 7.079 -5.026 94 HG23 ILE 13 HG23 ILE 13 -2.267 8.803 -5.065 95 HD11 ILE 13 HD11 ILE 13 -1.328 5.363 -3.276 96 HD12 ILE 13 HD12 ILE 13 -1.798 4.672 -4.848 97 HD13 ILE 13 HD13 ILE 13 -0.310 4.121 -4.044 98 H HIS 14 H HIS 14 1.674 6.891 -6.505 99 HA HIS 14 HA HIS 14 1.149 8.555 -8.925 100 HB2 HIS 14 HB2 HIS 14 3.528 7.681 -8.072 101 HB3 HIS 14 HB3 HIS 14 3.039 6.228 -8.972 102 HD2 HIS 14 HD2 HIS 14 3.822 10.020 -9.698 103 HE1 HIS 14 HE1 HIS 14 3.966 7.844 -13.335 104 HE2 HIS 14 HE2 HIS 14 4.373 10.106 -12.243 105 H CYS 15 H CYS 15 0.540 7.538 -10.911 106 HA CYS 15 HA CYS 15 -1.485 5.503 -10.490 107 HB2 CYS 15 HB2 CYS 15 -0.403 6.505 -13.144 108 HB3 CYS 15 HB3 CYS 15 -1.993 5.780 -12.823 109 H CYS 16 H CYS 16 -1.594 3.412 -11.346 110 HA CYS 16 HA CYS 16 0.736 1.857 -11.082 111 HB2 CYS 16 HB2 CYS 16 -1.772 1.252 -12.697 112 HB3 CYS 16 HB3 CYS 16 -0.561 0.054 -12.192 113 H SER 17 H SER 17 1.483 0.294 -12.915 114 HA SER 17 HA SER 17 3.034 1.780 -14.718 115 HB2 SER 17 HB2 SER 17 2.044 -1.088 -14.992 116 HB3 SER 17 HB3 SER 17 3.384 -0.373 -15.920 117 HG SER 17 HG SER 17 4.111 -1.551 -14.069 118 H GLY 18 H GLY 18 2.849 2.503 -16.783 119 HA2 GLY 18 HA2 GLY 18 1.806 2.583 -18.939 120 HA3 GLY 18 HA3 GLY 18 0.350 1.835 -18.256 121 H LEU 19 H LEU 19 0.442 3.708 -15.914 122 HA LEU 19 HA LEU 19 -0.555 6.125 -17.371 123 HB2 LEU 19 HB2 LEU 19 -1.535 5.090 -14.700 124 HB3 LEU 19 HB3 LEU 19 -2.229 6.406 -15.676 125 HG LEU 19 HG LEU 19 -2.127 3.621 -16.797 126 HD11 LEU 19 HD11 LEU 19 -4.194 3.026 -15.765 127 HD12 LEU 19 HD12 LEU 19 -4.349 4.629 -15.007 128 HD13 LEU 19 HD13 LEU 19 -3.075 3.510 -14.469 129 HD21 LEU 19 HD21 LEU 19 -3.894 4.352 -18.146 130 HD22 LEU 19 HD22 LEU 19 -2.811 5.762 -18.055 131 HD23 LEU 19 HD23 LEU 19 -4.287 5.706 -17.062 132 H THR 20 H THR 20 -0.297 8.165 -16.356 133 HA THR 20 HA THR 20 1.779 8.171 -14.202 134 HB THR 20 HB THR 20 1.656 10.238 -16.417 135 HG1 THR 20 HG1 THR 20 3.453 9.055 -17.326 136 HG21 THR 20 HG21 THR 20 2.804 10.668 -14.155 137 HG22 THR 20 HG22 THR 20 3.764 10.948 -15.628 138 HG23 THR 20 HG23 THR 20 4.004 9.462 -14.677 139 H CYS 21 H CYS 21 1.559 9.648 -12.585 140 HA CYS 21 HA CYS 21 -1.071 10.753 -12.186 141 HB2 CYS 21 HB2 CYS 21 0.781 10.013 -10.465 142 HB3 CYS 21 HB3 CYS 21 1.345 11.688 -10.641 143 H LYS 22 H LYS 22 -1.478 12.100 -13.969 144 HA LYS 22 HA LYS 22 0.238 14.512 -14.210 145 HB2 LYS 22 HB2 LYS 22 -2.006 13.384 -15.917 146 HB3 LYS 22 HB3 LYS 22 -1.263 14.967 -16.215 147 HG2 LYS 22 HG2 LYS 22 0.501 12.560 -15.998 148 HG3 LYS 22 HG3 LYS 22 -0.445 12.816 -17.485 149 HD2 LYS 22 HD2 LYS 22 0.636 14.837 -17.971 150 HD3 LYS 22 HD3 LYS 22 1.228 15.028 -16.301 151 HE2 LYS 22 HE2 LYS 22 2.115 12.641 -17.876 152 HE3 LYS 22 HE3 LYS 22 2.823 14.228 -18.263 153 HZ1 LYS 22 HZ1 LYS 22 2.788 13.003 -15.549 154 HZ2 LYS 22 HZ2 LYS 22 3.549 14.447 -15.992 155 HZ3 LYS 22 HZ3 LYS 22 4.111 12.972 -16.602 156 H CYS 23 H CYS 23 -0.399 16.540 -13.708 157 HA CYS 23 HA CYS 23 -3.229 16.922 -12.864 158 HB2 CYS 23 HB2 CYS 23 -0.867 17.916 -11.230 159 HB3 CYS 23 HB3 CYS 23 -2.591 18.022 -10.813 160 H LYS 24 H LYS 24 -4.014 18.482 -14.093 161 HA LYS 24 HA LYS 24 -2.162 20.679 -14.907 162 HB2 LYS 24 HB2 LYS 24 -4.848 19.957 -16.130 163 HB3 LYS 24 HB3 LYS 24 -3.628 21.069 -16.785 164 HG2 LYS 24 HG2 LYS 24 -2.068 19.064 -16.909 165 HG3 LYS 24 HG3 LYS 24 -3.502 18.060 -16.581 166 HD2 LYS 24 HD2 LYS 24 -3.451 18.059 -18.894 167 HD3 LYS 24 HD3 LYS 24 -4.554 19.418 -18.561 168 HE2 LYS 24 HE2 LYS 24 -2.304 20.808 -18.588 169 HE3 LYS 24 HE3 LYS 24 -1.729 19.434 -19.561 170 HZ1 LYS 24 HZ1 LYS 24 -4.038 19.925 -20.765 171 HZ2 LYS 24 HZ2 LYS 24 -2.593 20.677 -21.218 172 HZ3 LYS 24 HZ3 LYS 24 -3.691 21.490 -20.221 173 H GLY 25 H GLY 25 -2.340 22.528 -13.848 174 HA2 GLY 25 HA2 GLY 25 -3.328 24.336 -12.781 175 HA3 GLY 25 HA3 GLY 25 -4.881 23.818 -13.461 176 H SER 26 H SER 26 -6.402 23.208 -12.087 177 HA SER 26 HA SER 26 -5.510 22.466 -9.331 178 HB2 SER 26 HB2 SER 26 -8.285 23.438 -10.068 179 HB3 SER 26 HB3 SER 26 -7.496 23.430 -8.472 180 HG SER 26 HG SER 26 -7.540 25.532 -9.434 181 H SER 27 H SER 27 -5.769 20.706 -11.717 182 HA SER 27 HA SER 27 -7.810 18.849 -10.560 183 HB2 SER 27 HB2 SER 27 -7.270 19.628 -13.413 184 HB3 SER 27 HB3 SER 27 -7.792 17.963 -13.067 185 HG SER 27 HG SER 27 -9.567 19.388 -13.474 186 H CYS 28 H CYS 28 -7.316 16.655 -10.514 187 HA CYS 28 HA CYS 28 -4.576 15.899 -11.383 188 HB2 CYS 28 HB2 CYS 28 -4.885 16.596 -8.820 189 HB3 CYS 28 HB3 CYS 28 -5.492 14.931 -8.696 190 H VAL 29 H VAL 29 -5.051 14.400 -12.862 191 HA VAL 29 HA VAL 29 -6.622 12.058 -11.922 192 HB VAL 29 HB VAL 29 -7.074 13.322 -14.644 193 HG11 VAL 29 HG11 VAL 29 -8.024 10.858 -13.254 194 HG12 VAL 29 HG12 VAL 29 -9.189 11.735 -14.277 195 HG13 VAL 29 HG13 VAL 29 -7.663 11.139 -14.974 196 HG21 VAL 29 HG21 VAL 29 -8.735 13.473 -12.111 197 HG22 VAL 29 HG22 VAL 29 -7.986 14.822 -12.999 198 HG23 VAL 29 HG23 VAL 29 -9.332 13.915 -13.729 199 H CYS 30 H CYS 30 -6.120 10.094 -12.934 200 HA CYS 30 HA CYS 30 -3.385 9.981 -13.924 201 HB2 CYS 30 HB2 CYS 30 -5.548 7.879 -13.550 202 HB3 CYS 30 HB3 CYS 30 -3.914 7.506 -14.144 203 H ARG 31 H ARG 31 -2.687 10.054 -15.946 204 HA ARG 31 HA ARG 31 -4.548 9.241 -18.116 205 HB2 ARG 31 HB2 ARG 31 -2.971 11.842 -18.140 206 HB3 ARG 31 HB3 ARG 31 -4.015 11.230 -19.438 207 HG2 ARG 31 HG2 ARG 31 -5.046 11.828 -16.662 208 HG3 ARG 31 HG3 ARG 31 -4.977 13.050 -17.956 209 HD2 ARG 31 HD2 ARG 31 -6.493 10.423 -17.999 210 HD3 ARG 31 HD3 ARG 31 -7.188 12.057 -17.879 211 HE ARG 31 HE ARG 31 -6.262 10.693 -20.283 212 HH11 ARG 31 HH11 ARG 31 -6.860 13.809 -18.735 213 HH12 ARG 31 HH12 ARG 31 -7.067 14.667 -20.266 214 HH21 ARG 31 HH21 ARG 31 -6.533 11.806 -22.255 215 HH22 ARG 31 HH22 ARG 31 -6.885 13.538 -22.250 216 H LYS 32 H LYS 32 -3.520 8.671 -20.094 217 HA LYS 32 HA LYS 32 -1.022 7.315 -19.698 218 HB2 LYS 32 HB2 LYS 32 -2.878 7.819 -21.992 219 HB3 LYS 32 HB3 LYS 32 -1.221 7.311 -22.374 220 HG2 LYS 32 HG2 LYS 32 -2.214 5.268 -22.251 221 HG3 LYS 32 HG3 LYS 32 -1.756 5.464 -20.541 222 HD2 LYS 32 HD2 LYS 32 -3.960 4.844 -20.312 223 HD3 LYS 32 HD3 LYS 32 -4.131 6.615 -20.380 224 HE2 LYS 32 HE2 LYS 32 -4.394 6.266 -22.932 225 HE3 LYS 32 HE3 LYS 32 -4.693 4.562 -22.516 226 HZ1 LYS 32 HZ1 LYS 32 -6.201 6.559 -21.013 227 HZ2 LYS 32 HZ2 LYS 32 -6.686 5.049 -21.602 228 HZ3 LYS 32 HZ3 LYS 32 -6.616 6.380 -22.644 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.103 -3.543 -2.856 2 H2 GLY 1 H2 GLY 1 1.809 -2.748 -2.097 3 H3 GLY 1 H3 GLY 1 1.514 -3.802 -3.396 4 HA2 GLY 1 HA2 GLY 1 3.014 -1.270 -3.520 5 HA3 GLY 1 HA3 GLY 1 2.705 -2.370 -4.877 6 H TYR 2 H TYR 2 1.631 0.338 -3.175 7 HA TYR 2 HA TYR 2 -1.150 0.017 -4.203 8 HB2 TYR 2 HB2 TYR 2 -0.536 0.688 -1.743 9 HB3 TYR 2 HB3 TYR 2 -0.232 2.293 -2.446 10 HD1 TYR 2 HD2 TYR 2 -2.883 -0.306 -2.988 11 HD2 TYR 2 HD1 TYR 2 -1.971 3.722 -1.969 12 HE1 TYR 2 HE2 TYR 2 -5.286 0.200 -2.861 13 HE2 TYR 2 HE1 TYR 2 -4.372 4.240 -1.838 14 HH TYR 2 HH TYR 2 -6.828 1.817 -2.698 15 H CYS 3 H CYS 3 -1.955 1.246 -5.794 16 HA CYS 3 HA CYS 3 -0.686 3.772 -6.535 17 HB2 CYS 3 HB2 CYS 3 -0.306 2.993 -8.933 18 HB3 CYS 3 HB3 CYS 3 0.853 2.395 -7.726 19 H ALA 4 H ALA 4 -1.880 4.957 -8.127 20 HA ALA 4 HA ALA 4 -4.736 4.264 -8.027 21 HB1 ALA 4 HB1 ALA 4 -3.152 6.678 -8.867 22 HB2 ALA 4 HB2 ALA 4 -4.863 6.514 -9.332 23 HB3 ALA 4 HB3 ALA 4 -4.404 6.524 -7.612 24 H GLU 5 H GLU 5 -6.120 4.234 -9.888 25 HA GLU 5 HA GLU 5 -4.681 3.158 -12.275 26 HB2 GLU 5 HB2 GLU 5 -7.453 2.654 -11.157 27 HB3 GLU 5 HB3 GLU 5 -7.001 2.188 -12.808 28 HG2 GLU 5 HG2 GLU 5 -5.291 0.707 -11.989 29 HG3 GLU 5 HG3 GLU 5 -5.545 1.269 -10.319 30 H LYS 6 H LYS 6 -6.240 3.359 -14.314 31 HA LYS 6 HA LYS 6 -6.177 6.067 -15.083 32 HB2 LYS 6 HB2 LYS 6 -6.460 3.827 -16.454 33 HB3 LYS 6 HB3 LYS 6 -8.190 4.188 -16.299 34 HG2 LYS 6 HG2 LYS 6 -7.887 6.324 -17.400 35 HG3 LYS 6 HG3 LYS 6 -6.125 6.071 -17.465 36 HD2 LYS 6 HD2 LYS 6 -6.923 5.503 -19.616 37 HD3 LYS 6 HD3 LYS 6 -6.632 3.952 -18.793 38 HE2 LYS 6 HE2 LYS 6 -9.350 5.201 -18.621 39 HE3 LYS 6 HE3 LYS 6 -8.866 4.402 -20.136 40 HZ1 LYS 6 HZ1 LYS 6 -9.295 2.452 -19.206 41 HZ2 LYS 6 HZ2 LYS 6 -9.801 3.216 -17.784 42 HZ3 LYS 6 HZ3 LYS 6 -8.186 2.744 -17.963 43 H GLY 7 H GLY 7 -7.344 7.765 -14.509 44 HA2 GLY 7 HA2 GLY 7 -9.407 8.934 -14.275 45 HA3 GLY 7 HA3 GLY 7 -10.253 7.390 -14.063 46 H ILE 8 H ILE 8 -7.991 6.640 -12.105 47 HA ILE 8 HA ILE 8 -9.434 7.552 -9.747 48 HB ILE 8 HB ILE 8 -6.808 6.036 -9.938 49 HG12 ILE 8 HG12 ILE 8 -8.639 4.844 -11.066 50 HG13 ILE 8 HG13 ILE 8 -8.194 4.025 -9.552 51 HG21 ILE 8 HG21 ILE 8 -6.714 6.343 -7.732 52 HG22 ILE 8 HG22 ILE 8 -8.316 7.116 -7.710 53 HG23 ILE 8 HG23 ILE 8 -8.180 5.344 -7.597 54 HD11 ILE 8 HD11 ILE 8 -10.248 5.880 -8.936 55 HD12 ILE 8 HD12 ILE 8 -10.742 4.990 -10.397 56 HD13 ILE 8 HD13 ILE 8 -10.311 4.103 -8.916 57 H LYS 9 H LYS 9 -9.253 9.654 -9.245 58 HA LYS 9 HA LYS 9 -6.998 11.289 -9.714 59 HB2 LYS 9 HB2 LYS 9 -9.291 11.435 -7.748 60 HB3 LYS 9 HB3 LYS 9 -8.012 12.666 -7.752 61 HG2 LYS 9 HG2 LYS 9 -8.712 13.592 -9.700 62 HG3 LYS 9 HG3 LYS 9 -9.262 12.036 -10.371 63 HD2 LYS 9 HD2 LYS 9 -11.101 12.195 -8.521 64 HD3 LYS 9 HD3 LYS 9 -10.681 13.926 -8.509 65 HE2 LYS 9 HE2 LYS 9 -11.327 14.213 -10.753 66 HE3 LYS 9 HE3 LYS 9 -11.307 12.461 -11.073 67 HZ1 LYS 9 HZ1 LYS 9 -13.140 13.211 -8.987 68 HZ2 LYS 9 HZ2 LYS 9 -13.396 12.256 -10.359 69 HZ3 LYS 9 HZ3 LYS 9 -13.507 13.940 -10.469 70 H CYS 10 H CYS 10 -5.150 11.748 -8.654 71 HA CYS 10 HA CYS 10 -4.716 10.318 -6.062 72 HB2 CYS 10 HB2 CYS 10 -2.279 10.170 -6.805 73 HB3 CYS 10 HB3 CYS 10 -3.425 9.124 -7.671 74 H HIS 11 H HIS 11 -3.796 11.433 -4.426 75 HA HIS 11 HA HIS 11 -3.417 14.334 -4.913 76 HB2 HIS 11 HB2 HIS 11 -3.955 12.615 -2.506 77 HB3 HIS 11 HB3 HIS 11 -3.157 14.187 -2.271 78 HD2 HIS 11 HD2 HIS 11 -5.910 14.069 -4.998 79 HE1 HIS 11 HE1 HIS 11 -7.539 15.975 -1.577 80 HE2 HIS 11 HE2 HIS 11 -7.921 15.418 -4.029 81 H ASN 12 H ASN 12 -1.728 11.589 -3.339 82 HA ASN 12 HA ASN 12 0.833 12.983 -3.977 83 HB2 ASN 12 HB2 ASN 12 0.440 11.458 -1.390 84 HB3 ASN 12 HB3 ASN 12 1.740 12.589 -1.824 85 HD21 ASN 12 HD21 ASN 12 -1.521 12.205 -0.679 86 HD22 ASN 12 HD22 ASN 12 -1.779 13.927 -0.234 87 H ILE 13 H ILE 13 -1.046 10.428 -4.599 88 HA ILE 13 HA ILE 13 1.184 8.449 -4.554 89 HB ILE 13 HB ILE 13 -1.062 7.828 -3.578 90 HG12 ILE 13 HG12 ILE 13 -0.419 6.079 -5.963 91 HG13 ILE 13 HG13 ILE 13 0.729 6.248 -4.617 92 HG21 ILE 13 HG21 ILE 13 -2.873 7.261 -5.128 93 HG22 ILE 13 HG22 ILE 13 -2.466 8.991 -5.218 94 HG23 ILE 13 HG23 ILE 13 -1.909 7.878 -6.490 95 HD11 ILE 13 HD11 ILE 13 -1.545 5.687 -3.258 96 HD12 ILE 13 HD12 ILE 13 -1.828 4.791 -4.771 97 HD13 ILE 13 HD13 ILE 13 -0.369 4.468 -3.804 98 H HIS 14 H HIS 14 1.568 7.115 -6.429 99 HA HIS 14 HA HIS 14 1.113 8.679 -8.929 100 HB2 HIS 14 HB2 HIS 14 3.166 6.538 -8.252 101 HB3 HIS 14 HB3 HIS 14 3.011 7.326 -9.836 102 HD2 HIS 14 HD2 HIS 14 2.580 10.364 -8.167 103 HE1 HIS 14 HE1 HIS 14 6.687 9.656 -7.378 104 HE2 HIS 14 HE2 HIS 14 4.842 11.410 -7.408 105 H CYS 15 H CYS 15 0.583 7.590 -10.894 106 HA CYS 15 HA CYS 15 -1.401 5.503 -10.456 107 HB2 CYS 15 HB2 CYS 15 -0.343 6.544 -13.107 108 HB3 CYS 15 HB3 CYS 15 -1.898 5.737 -12.802 109 H CYS 16 H CYS 16 -1.418 3.398 -11.258 110 HA CYS 16 HA CYS 16 1.006 1.968 -11.023 111 HB2 CYS 16 HB2 CYS 16 -1.468 1.116 -12.575 112 HB3 CYS 16 HB3 CYS 16 -0.227 0.050 -11.884 113 H SER 17 H SER 17 1.736 0.374 -12.843 114 HA SER 17 HA SER 17 3.124 1.873 -14.766 115 HB2 SER 17 HB2 SER 17 3.300 -0.663 -13.963 116 HB3 SER 17 HB3 SER 17 2.338 -0.949 -15.433 117 HG SER 17 HG SER 17 4.615 -1.043 -15.824 118 H GLY 18 H GLY 18 2.850 2.391 -16.907 119 HA2 GLY 18 HA2 GLY 18 1.680 2.325 -18.994 120 HA3 GLY 18 HA3 GLY 18 0.276 1.613 -18.177 121 H LEU 19 H LEU 19 0.402 3.607 -15.978 122 HA LEU 19 HA LEU 19 -0.699 5.913 -17.535 123 HB2 LEU 19 HB2 LEU 19 -1.469 5.058 -14.734 124 HB3 LEU 19 HB3 LEU 19 -2.251 6.298 -15.742 125 HG LEU 19 HG LEU 19 -2.188 3.479 -16.744 126 HD11 LEU 19 HD11 LEU 19 -2.882 3.062 -14.508 127 HD12 LEU 19 HD12 LEU 19 -4.356 3.101 -15.506 128 HD13 LEU 19 HD13 LEU 19 -3.930 4.501 -14.494 129 HD21 LEU 19 HD21 LEU 19 -4.413 4.163 -17.601 130 HD22 LEU 19 HD22 LEU 19 -3.095 5.216 -18.168 131 HD23 LEU 19 HD23 LEU 19 -4.176 5.767 -16.865 132 H THR 20 H THR 20 -0.573 8.029 -16.486 133 HA THR 20 HA THR 20 1.742 8.220 -14.605 134 HB THR 20 HB THR 20 1.268 9.997 -17.027 135 HG1 THR 20 HG1 THR 20 3.303 9.068 -17.697 136 HG21 THR 20 HG21 THR 20 2.395 11.531 -15.837 137 HG22 THR 20 HG22 THR 20 3.817 10.474 -16.026 138 HG23 THR 20 HG23 THR 20 2.805 10.356 -14.565 139 H CYS 21 H CYS 21 1.466 9.542 -12.917 140 HA CYS 21 HA CYS 21 -1.148 10.704 -12.486 141 HB2 CYS 21 HB2 CYS 21 0.534 9.755 -10.750 142 HB3 CYS 21 HB3 CYS 21 1.320 11.345 -10.854 143 H LYS 22 H LYS 22 -1.451 12.183 -14.184 144 HA LYS 22 HA LYS 22 0.383 14.513 -14.247 145 HB2 LYS 22 HB2 LYS 22 -1.946 13.694 -16.020 146 HB3 LYS 22 HB3 LYS 22 -1.006 15.184 -16.234 147 HG2 LYS 22 HG2 LYS 22 1.005 13.906 -16.662 148 HG3 LYS 22 HG3 LYS 22 0.141 12.385 -16.328 149 HD2 LYS 22 HD2 LYS 22 -1.099 12.504 -18.294 150 HD3 LYS 22 HD3 LYS 22 -0.863 14.264 -18.453 151 HE2 LYS 22 HE2 LYS 22 1.386 12.250 -18.698 152 HE3 LYS 22 HE3 LYS 22 0.425 12.817 -20.086 153 HZ1 LYS 22 HZ1 LYS 22 1.613 14.675 -20.167 154 HZ2 LYS 22 HZ2 LYS 22 2.659 14.024 -19.009 155 HZ3 LYS 22 HZ3 LYS 22 1.368 15.005 -18.526 156 H CYS 23 H CYS 23 -0.304 16.649 -13.961 157 HA CYS 23 HA CYS 23 -3.015 16.968 -12.760 158 HB2 CYS 23 HB2 CYS 23 -0.355 17.795 -11.571 159 HB3 CYS 23 HB3 CYS 23 -1.870 18.604 -11.117 160 H LYS 24 H LYS 24 -4.076 18.361 -13.980 161 HA LYS 24 HA LYS 24 -2.520 20.560 -15.266 162 HB2 LYS 24 HB2 LYS 24 -3.894 18.920 -16.671 163 HB3 LYS 24 HB3 LYS 24 -5.335 19.674 -15.962 164 HG2 LYS 24 HG2 LYS 24 -5.141 20.857 -17.916 165 HG3 LYS 24 HG3 LYS 24 -4.221 21.897 -16.802 166 HD2 LYS 24 HD2 LYS 24 -2.944 21.670 -18.820 167 HD3 LYS 24 HD3 LYS 24 -2.136 20.713 -17.554 168 HE2 LYS 24 HE2 LYS 24 -2.778 18.688 -18.492 169 HE3 LYS 24 HE3 LYS 24 -4.147 19.412 -19.369 170 HZ1 LYS 24 HZ1 LYS 24 -1.696 20.551 -20.236 171 HZ2 LYS 24 HZ2 LYS 24 -2.860 19.715 -21.133 172 HZ3 LYS 24 HZ3 LYS 24 -1.619 18.866 -20.358 173 H GLY 25 H GLY 25 -2.453 22.117 -13.699 174 HA2 GLY 25 HA2 GLY 25 -3.393 24.089 -12.811 175 HA3 GLY 25 HA3 GLY 25 -5.011 23.509 -13.246 176 H SER 26 H SER 26 -6.308 22.919 -11.652 177 HA SER 26 HA SER 26 -5.018 22.298 -9.025 178 HB2 SER 26 HB2 SER 26 -6.535 24.374 -9.275 179 HB3 SER 26 HB3 SER 26 -7.883 23.218 -9.398 180 HG SER 26 HG SER 26 -7.096 22.337 -7.344 181 H SER 27 H SER 27 -5.630 20.470 -11.320 182 HA SER 27 HA SER 27 -7.416 18.615 -9.796 183 HB2 SER 27 HB2 SER 27 -7.383 19.337 -12.715 184 HB3 SER 27 HB3 SER 27 -7.814 17.672 -12.251 185 HG SER 27 HG SER 27 -9.654 19.067 -12.376 186 H CYS 28 H CYS 28 -6.942 16.383 -9.929 187 HA CYS 28 HA CYS 28 -4.316 15.698 -11.142 188 HB2 CYS 28 HB2 CYS 28 -5.085 15.355 -8.229 189 HB3 CYS 28 HB3 CYS 28 -3.812 14.380 -8.994 190 H VAL 29 H VAL 29 -4.942 14.239 -12.603 191 HA VAL 29 HA VAL 29 -6.402 11.862 -11.562 192 HB VAL 29 HB VAL 29 -8.043 13.365 -12.709 193 HG11 VAL 29 HG11 VAL 29 -6.920 12.658 -15.370 194 HG12 VAL 29 HG12 VAL 29 -7.814 14.106 -14.846 195 HG13 VAL 29 HG13 VAL 29 -6.085 13.939 -14.461 196 HG21 VAL 29 HG21 VAL 29 -8.292 10.885 -12.598 197 HG22 VAL 29 HG22 VAL 29 -9.081 11.618 -14.015 198 HG23 VAL 29 HG23 VAL 29 -7.524 10.775 -14.202 199 H CYS 30 H CYS 30 -6.038 9.921 -12.714 200 HA CYS 30 HA CYS 30 -3.374 9.792 -13.868 201 HB2 CYS 30 HB2 CYS 30 -5.565 7.709 -13.541 202 HB3 CYS 30 HB3 CYS 30 -3.934 7.355 -14.151 203 H ARG 31 H ARG 31 -2.742 9.641 -15.939 204 HA ARG 31 HA ARG 31 -4.818 9.210 -18.015 205 HB2 ARG 31 HB2 ARG 31 -2.950 11.603 -17.891 206 HB3 ARG 31 HB3 ARG 31 -3.856 11.128 -19.341 207 HG2 ARG 31 HG2 ARG 31 -5.144 11.795 -16.685 208 HG3 ARG 31 HG3 ARG 31 -4.895 12.968 -18.002 209 HD2 ARG 31 HD2 ARG 31 -6.494 10.396 -18.181 210 HD3 ARG 31 HD3 ARG 31 -7.169 12.036 -18.026 211 HE ARG 31 HE ARG 31 -5.458 12.003 -20.284 212 HH11 ARG 31 HH11 ARG 31 -8.493 10.587 -19.166 213 HH12 ARG 31 HH12 ARG 31 -9.167 10.445 -20.793 214 HH21 ARG 31 HH21 ARG 31 -6.334 11.819 -22.381 215 HH22 ARG 31 HH22 ARG 31 -7.950 11.140 -22.606 216 H LYS 32 H LYS 32 -4.121 8.128 -19.788 217 HA LYS 32 HA LYS 32 -1.805 6.558 -19.641 218 HB2 LYS 32 HB2 LYS 32 -3.611 7.413 -21.888 219 HB3 LYS 32 HB3 LYS 32 -2.124 6.525 -22.270 220 HG2 LYS 32 HG2 LYS 32 -4.011 5.468 -20.188 221 HG3 LYS 32 HG3 LYS 32 -4.360 5.238 -21.919 222 HD2 LYS 32 HD2 LYS 32 -1.903 4.378 -22.039 223 HD3 LYS 32 HD3 LYS 32 -2.064 4.191 -20.276 224 HE2 LYS 32 HE2 LYS 32 -4.070 3.042 -22.223 225 HE3 LYS 32 HE3 LYS 32 -2.612 2.154 -21.720 226 HZ1 LYS 32 HZ1 LYS 32 -3.690 3.004 -19.371 227 HZ2 LYS 32 HZ2 LYS 32 -3.858 1.455 -20.027 228 HZ3 LYS 32 HZ3 LYS 32 -5.061 2.617 -20.285 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 4.241 -2.831 -3.145 2 H2 GLY 1 H2 GLY 1 2.906 -1.986 -2.521 3 H3 GLY 1 H3 GLY 1 2.665 -3.305 -3.565 4 HA2 GLY 1 HA2 GLY 1 3.970 -0.757 -4.258 5 HA3 GLY 1 HA3 GLY 1 3.716 -2.134 -5.348 6 H TYR 2 H TYR 2 2.019 0.229 -3.283 7 HA TYR 2 HA TYR 2 -0.518 -0.296 -4.647 8 HB2 TYR 2 HB2 TYR 2 -0.180 0.420 -2.183 9 HB3 TYR 2 HB3 TYR 2 0.069 2.056 -2.832 10 HD1 TYR 2 HD2 TYR 2 -2.344 -0.636 -3.806 11 HD2 TYR 2 HD1 TYR 2 -1.804 3.299 -2.278 12 HE1 TYR 2 HE2 TYR 2 -4.779 -0.290 -3.852 13 HE2 TYR 2 HE1 TYR 2 -4.237 3.654 -2.318 14 HH TYR 2 HH TYR 2 -6.458 1.092 -3.451 15 H CYS 3 H CYS 3 -1.700 1.198 -5.904 16 HA CYS 3 HA CYS 3 -0.558 3.703 -6.757 17 HB2 CYS 3 HB2 CYS 3 -0.241 3.007 -9.179 18 HB3 CYS 3 HB3 CYS 3 0.995 2.419 -8.045 19 H ALA 4 H ALA 4 -1.913 4.864 -8.211 20 HA ALA 4 HA ALA 4 -4.707 3.944 -8.033 21 HB1 ALA 4 HB1 ALA 4 -3.309 6.516 -8.497 22 HB2 ALA 4 HB2 ALA 4 -4.877 6.316 -9.319 23 HB3 ALA 4 HB3 ALA 4 -4.771 6.154 -7.548 24 H GLU 5 H GLU 5 -6.149 3.821 -9.809 25 HA GLU 5 HA GLU 5 -4.754 2.963 -12.290 26 HB2 GLU 5 HB2 GLU 5 -7.502 2.462 -11.131 27 HB3 GLU 5 HB3 GLU 5 -7.160 2.145 -12.843 28 HG2 GLU 5 HG2 GLU 5 -5.610 0.459 -12.346 29 HG3 GLU 5 HG3 GLU 5 -5.456 0.977 -10.651 30 H LYS 6 H LYS 6 -6.400 3.282 -14.288 31 HA LYS 6 HA LYS 6 -6.223 6.033 -14.940 32 HB2 LYS 6 HB2 LYS 6 -6.318 4.393 -16.689 33 HB3 LYS 6 HB3 LYS 6 -7.883 3.783 -16.117 34 HG2 LYS 6 HG2 LYS 6 -8.955 5.881 -16.751 35 HG3 LYS 6 HG3 LYS 6 -7.386 6.532 -17.284 36 HD2 LYS 6 HD2 LYS 6 -8.499 3.966 -18.420 37 HD3 LYS 6 HD3 LYS 6 -8.976 5.555 -19.068 38 HE2 LYS 6 HE2 LYS 6 -6.081 4.754 -18.747 39 HE3 LYS 6 HE3 LYS 6 -7.019 4.340 -20.202 40 HZ1 LYS 6 HZ1 LYS 6 -7.538 6.965 -19.926 41 HZ2 LYS 6 HZ2 LYS 6 -6.314 6.333 -20.907 42 HZ3 LYS 6 HZ3 LYS 6 -5.948 6.894 -19.354 43 H GLY 7 H GLY 7 -7.377 7.743 -14.367 44 HA2 GLY 7 HA2 GLY 7 -9.414 8.936 -14.069 45 HA3 GLY 7 HA3 GLY 7 -10.286 7.400 -13.894 46 H ILE 8 H ILE 8 -8.018 6.561 -11.976 47 HA ILE 8 HA ILE 8 -9.428 7.469 -9.584 48 HB ILE 8 HB ILE 8 -6.881 5.827 -9.790 49 HG12 ILE 8 HG12 ILE 8 -8.689 4.737 -11.026 50 HG13 ILE 8 HG13 ILE 8 -8.387 3.868 -9.505 51 HG21 ILE 8 HG21 ILE 8 -8.145 6.996 -7.575 52 HG22 ILE 8 HG22 ILE 8 -8.604 5.278 -7.529 53 HG23 ILE 8 HG23 ILE 8 -6.884 5.738 -7.563 54 HD11 ILE 8 HD11 ILE 8 -10.759 5.409 -10.393 55 HD12 ILE 8 HD12 ILE 8 -10.644 3.932 -9.405 56 HD13 ILE 8 HD13 ILE 8 -10.323 5.521 -8.672 57 H LYS 9 H LYS 9 -9.118 9.534 -9.009 58 HA LYS 9 HA LYS 9 -6.837 11.097 -9.468 59 HB2 LYS 9 HB2 LYS 9 -8.880 11.207 -7.223 60 HB3 LYS 9 HB3 LYS 9 -7.651 12.460 -7.488 61 HG2 LYS 9 HG2 LYS 9 -9.323 13.416 -8.667 62 HG3 LYS 9 HG3 LYS 9 -8.701 12.357 -9.958 63 HD2 LYS 9 HD2 LYS 9 -10.463 10.874 -9.775 64 HD3 LYS 9 HD3 LYS 9 -10.782 11.298 -8.076 65 HE2 LYS 9 HE2 LYS 9 -12.050 13.125 -8.624 66 HE3 LYS 9 HE3 LYS 9 -11.166 13.420 -10.140 67 HZ1 LYS 9 HZ1 LYS 9 -12.281 11.464 -11.087 68 HZ2 LYS 9 HZ2 LYS 9 -13.386 12.651 -10.612 69 HZ3 LYS 9 HZ3 LYS 9 -13.169 11.269 -9.661 70 H CYS 10 H CYS 10 -5.206 11.914 -7.989 71 HA CYS 10 HA CYS 10 -4.557 10.121 -5.723 72 HB2 CYS 10 HB2 CYS 10 -2.151 10.000 -6.567 73 HB3 CYS 10 HB3 CYS 10 -3.340 9.016 -7.449 74 H HIS 11 H HIS 11 -3.565 11.127 -4.058 75 HA HIS 11 HA HIS 11 -3.174 14.048 -4.382 76 HB2 HIS 11 HB2 HIS 11 -3.456 12.214 -1.987 77 HB3 HIS 11 HB3 HIS 11 -2.921 13.900 -1.819 78 HD2 HIS 11 HD2 HIS 11 -5.902 12.754 -4.141 79 HE1 HIS 11 HE1 HIS 11 -7.382 15.334 -1.117 80 HE2 HIS 11 HE2 HIS 11 -7.976 14.040 -3.227 81 H ASN 12 H ASN 12 -1.454 11.199 -3.044 82 HA ASN 12 HA ASN 12 1.094 12.610 -3.695 83 HB2 ASN 12 HB2 ASN 12 0.834 10.915 -1.204 84 HB3 ASN 12 HB3 ASN 12 2.067 12.132 -1.605 85 HD21 ASN 12 HD21 ASN 12 -1.143 11.529 -0.395 86 HD22 ASN 12 HD22 ASN 12 -1.445 13.200 0.201 87 H ILE 13 H ILE 13 -0.832 10.111 -4.396 88 HA ILE 13 HA ILE 13 1.376 8.116 -4.556 89 HB ILE 13 HB ILE 13 -0.838 7.454 -3.536 90 HG12 ILE 13 HG12 ILE 13 -0.333 5.839 -6.041 91 HG13 ILE 13 HG13 ILE 13 0.902 5.936 -4.767 92 HG21 ILE 13 HG21 ILE 13 -2.289 8.729 -5.046 93 HG22 ILE 13 HG22 ILE 13 -1.794 7.694 -6.404 94 HG23 ILE 13 HG23 ILE 13 -2.715 7.000 -5.047 95 HD11 ILE 13 HD11 ILE 13 -1.921 4.890 -4.487 96 HD12 ILE 13 HD12 ILE 13 -0.413 3.945 -4.465 97 HD13 ILE 13 HD13 ILE 13 -0.769 5.086 -3.146 98 H HIS 14 H HIS 14 1.680 6.900 -6.521 99 HA HIS 14 HA HIS 14 1.133 8.610 -8.905 100 HB2 HIS 14 HB2 HIS 14 3.013 7.390 -9.961 101 HB3 HIS 14 HB3 HIS 14 3.504 8.192 -8.453 102 HD2 HIS 14 HD2 HIS 14 2.584 4.506 -9.589 103 HE1 HIS 14 HE1 HIS 14 5.247 4.365 -6.290 104 HE2 HIS 14 HE2 HIS 14 3.988 2.978 -8.014 105 H CYS 15 H CYS 15 0.484 7.663 -10.890 106 HA CYS 15 HA CYS 15 -1.493 5.587 -10.532 107 HB2 CYS 15 HB2 CYS 15 -0.385 6.627 -13.163 108 HB3 CYS 15 HB3 CYS 15 -1.974 5.885 -12.869 109 H CYS 16 H CYS 16 -1.574 3.500 -11.385 110 HA CYS 16 HA CYS 16 0.807 1.991 -11.153 111 HB2 CYS 16 HB2 CYS 16 -1.748 1.299 -12.657 112 HB3 CYS 16 HB3 CYS 16 -0.498 0.140 -12.162 113 H SER 17 H SER 17 1.357 0.345 -13.069 114 HA SER 17 HA SER 17 2.888 1.808 -14.922 115 HB2 SER 17 HB2 SER 17 3.498 -0.451 -14.572 116 HB3 SER 17 HB3 SER 17 1.853 -1.040 -14.917 117 HG SER 17 HG SER 17 3.315 -1.402 -16.672 118 H GLY 18 H GLY 18 2.647 2.493 -17.007 119 HA2 GLY 18 HA2 GLY 18 1.506 2.681 -19.088 120 HA3 GLY 18 HA3 GLY 18 0.072 1.928 -18.366 121 H LEU 19 H LEU 19 0.490 3.844 -15.989 122 HA LEU 19 HA LEU 19 -0.620 6.267 -17.348 123 HB2 LEU 19 HB2 LEU 19 -1.504 5.162 -14.668 124 HB3 LEU 19 HB3 LEU 19 -2.200 6.542 -15.549 125 HG LEU 19 HG LEU 19 -2.239 3.819 -16.812 126 HD11 LEU 19 HD11 LEU 19 -3.063 3.430 -14.549 127 HD12 LEU 19 HD12 LEU 19 -4.393 3.355 -15.729 128 HD13 LEU 19 HD13 LEU 19 -4.190 4.799 -14.709 129 HD21 LEU 19 HD21 LEU 19 -3.548 4.848 -18.290 130 HD22 LEU 19 HD22 LEU 19 -3.183 6.382 -17.467 131 HD23 LEU 19 HD23 LEU 19 -4.622 5.444 -17.002 132 H THR 20 H THR 20 -0.427 8.270 -16.125 133 HA THR 20 HA THR 20 1.755 8.200 -14.095 134 HB THR 20 HB THR 20 1.677 10.227 -16.353 135 HG1 THR 20 HG1 THR 20 3.500 9.017 -17.170 136 HG21 THR 20 HG21 THR 20 2.886 11.243 -14.672 137 HG22 THR 20 HG22 THR 20 4.178 10.333 -15.490 138 HG23 THR 20 HG23 THR 20 3.451 9.698 -13.995 139 H CYS 21 H CYS 21 1.536 9.600 -12.433 140 HA CYS 21 HA CYS 21 -1.033 10.864 -12.083 141 HB2 CYS 21 HB2 CYS 21 0.665 9.923 -10.319 142 HB3 CYS 21 HB3 CYS 21 1.393 11.540 -10.418 143 H LYS 22 H LYS 22 -1.283 12.309 -13.811 144 HA LYS 22 HA LYS 22 0.583 14.630 -13.822 145 HB2 LYS 22 HB2 LYS 22 -1.587 13.846 -15.803 146 HB3 LYS 22 HB3 LYS 22 -0.460 15.205 -15.981 147 HG2 LYS 22 HG2 LYS 22 1.409 13.476 -15.858 148 HG3 LYS 22 HG3 LYS 22 0.136 12.249 -16.065 149 HD2 LYS 22 HD2 LYS 22 -0.296 12.860 -18.233 150 HD3 LYS 22 HD3 LYS 22 0.190 14.553 -17.967 151 HE2 LYS 22 HE2 LYS 22 2.268 12.405 -17.774 152 HE3 LYS 22 HE3 LYS 22 1.686 12.892 -19.384 153 HZ1 LYS 22 HZ1 LYS 22 2.242 15.178 -17.799 154 HZ2 LYS 22 HZ2 LYS 22 2.918 14.718 -19.279 155 HZ3 LYS 22 HZ3 LYS 22 3.595 14.164 -17.831 156 H CYS 23 H CYS 23 -0.154 16.764 -13.677 157 HA CYS 23 HA CYS 23 -2.990 17.102 -12.838 158 HB2 CYS 23 HB2 CYS 23 -0.528 17.948 -11.282 159 HB3 CYS 23 HB3 CYS 23 -2.119 18.698 -11.029 160 H LYS 24 H LYS 24 -3.849 18.509 -14.193 161 HA LYS 24 HA LYS 24 -2.098 20.701 -15.220 162 HB2 LYS 24 HB2 LYS 24 -4.634 19.450 -16.330 163 HB3 LYS 24 HB3 LYS 24 -3.889 20.913 -16.999 164 HG2 LYS 24 HG2 LYS 24 -2.006 19.757 -17.759 165 HG3 LYS 24 HG3 LYS 24 -2.320 18.361 -16.697 166 HD2 LYS 24 HD2 LYS 24 -2.911 17.684 -18.900 167 HD3 LYS 24 HD3 LYS 24 -4.439 17.978 -18.034 168 HE2 LYS 24 HE2 LYS 24 -3.179 20.194 -19.619 169 HE3 LYS 24 HE3 LYS 24 -4.070 18.908 -20.467 170 HZ1 LYS 24 HZ1 LYS 24 -5.632 19.725 -18.304 171 HZ2 LYS 24 HZ2 LYS 24 -5.937 19.956 -19.952 172 HZ3 LYS 24 HZ3 LYS 24 -5.096 21.134 -19.074 173 H GLY 25 H GLY 25 -2.279 22.340 -13.784 174 HA2 GLY 25 HA2 GLY 25 -3.353 24.281 -13.018 175 HA3 GLY 25 HA3 GLY 25 -4.882 23.694 -13.699 176 H SER 26 H SER 26 -6.412 23.114 -12.323 177 HA SER 26 HA SER 26 -5.546 22.489 -9.528 178 HB2 SER 26 HB2 SER 26 -6.875 24.567 -9.732 179 HB3 SER 26 HB3 SER 26 -8.187 23.650 -10.509 180 HG SER 26 HG SER 26 -8.212 22.345 -8.522 181 H SER 27 H SER 27 -5.803 20.654 -11.863 182 HA SER 27 HA SER 27 -7.858 18.845 -10.654 183 HB2 SER 27 HB2 SER 27 -8.330 19.870 -13.020 184 HB3 SER 27 HB3 SER 27 -7.108 18.704 -13.578 185 HG SER 27 HG SER 27 -9.257 17.855 -13.670 186 H CYS 28 H CYS 28 -7.384 16.641 -10.571 187 HA CYS 28 HA CYS 28 -4.636 15.857 -11.392 188 HB2 CYS 28 HB2 CYS 28 -5.778 15.766 -8.594 189 HB3 CYS 28 HB3 CYS 28 -4.527 14.613 -9.105 190 H VAL 29 H VAL 29 -5.086 14.327 -12.845 191 HA VAL 29 HA VAL 29 -6.670 12.003 -11.883 192 HB VAL 29 HB VAL 29 -7.124 13.232 -14.623 193 HG11 VAL 29 HG11 VAL 29 -9.095 11.670 -14.595 194 HG12 VAL 29 HG12 VAL 29 -7.505 10.869 -14.645 195 HG13 VAL 29 HG13 VAL 29 -8.419 10.944 -13.119 196 HG21 VAL 29 HG21 VAL 29 -9.372 13.849 -13.726 197 HG22 VAL 29 HG22 VAL 29 -8.800 13.406 -12.100 198 HG23 VAL 29 HG23 VAL 29 -8.030 14.749 -12.979 199 H CYS 30 H CYS 30 -6.164 10.029 -12.871 200 HA CYS 30 HA CYS 30 -3.431 9.904 -13.856 201 HB2 CYS 30 HB2 CYS 30 -5.598 7.823 -13.432 202 HB3 CYS 30 HB3 CYS 30 -3.990 7.421 -14.072 203 H ARG 31 H ARG 31 -2.695 9.808 -15.876 204 HA ARG 31 HA ARG 31 -4.629 9.129 -18.038 205 HB2 ARG 31 HB2 ARG 31 -2.737 11.507 -18.147 206 HB3 ARG 31 HB3 ARG 31 -3.892 11.006 -19.399 207 HG2 ARG 31 HG2 ARG 31 -4.764 11.793 -16.618 208 HG3 ARG 31 HG3 ARG 31 -4.551 12.977 -17.932 209 HD2 ARG 31 HD2 ARG 31 -6.362 10.545 -18.031 210 HD3 ARG 31 HD3 ARG 31 -6.894 12.210 -17.697 211 HE ARG 31 HE ARG 31 -5.594 12.469 -20.088 212 HH11 ARG 31 HH11 ARG 31 -8.098 10.286 -18.896 213 HH12 ARG 31 HH12 ARG 31 -8.851 10.088 -20.482 214 HH21 ARG 31 HH21 ARG 31 -6.570 12.209 -22.132 215 HH22 ARG 31 HH22 ARG 31 -7.990 11.172 -22.307 216 H LYS 32 H LYS 32 -3.640 8.467 -20.035 217 HA LYS 32 HA LYS 32 -1.519 6.654 -19.691 218 HB2 LYS 32 HB2 LYS 32 -2.336 8.065 -22.259 219 HB3 LYS 32 HB3 LYS 32 -1.423 6.548 -22.142 220 HG2 LYS 32 HG2 LYS 32 -3.360 5.478 -21.058 221 HG3 LYS 32 HG3 LYS 32 -4.276 6.996 -21.232 222 HD2 LYS 32 HD2 LYS 32 -3.002 5.784 -23.660 223 HD3 LYS 32 HD3 LYS 32 -4.492 5.054 -23.013 224 HE2 LYS 32 HE2 LYS 32 -5.594 7.265 -23.128 225 HE3 LYS 32 HE3 LYS 32 -4.113 7.948 -23.839 226 HZ1 LYS 32 HZ1 LYS 32 -5.319 5.601 -25.129 227 HZ2 LYS 32 HZ2 LYS 32 -4.472 6.895 -25.814 228 HZ3 LYS 32 HZ3 LYS 32 -6.081 7.099 -25.334 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 3.217 -3.992 -3.132 2 H2 GLY 1 H2 GLY 1 1.815 -3.854 -4.080 3 H3 GLY 1 H3 GLY 1 3.343 -3.624 -4.784 4 HA2 GLY 1 HA2 GLY 1 2.965 -1.925 -2.565 5 HA3 GLY 1 HA3 GLY 1 3.429 -1.537 -4.233 6 H TYR 2 H TYR 2 2.092 0.393 -3.783 7 HA TYR 2 HA TYR 2 -0.743 -0.225 -4.484 8 HB2 TYR 2 HB2 TYR 2 -0.336 0.457 -2.016 9 HB3 TYR 2 HB3 TYR 2 -0.006 2.078 -2.664 10 HD1 TYR 2 HD2 TYR 2 -2.586 -0.550 -3.384 11 HD2 TYR 2 HD1 TYR 2 -1.788 3.492 -2.329 12 HE1 TYR 2 HE2 TYR 2 -4.998 -0.075 -3.406 13 HE2 TYR 2 HE1 TYR 2 -4.199 3.980 -2.347 14 HH TYR 2 HH TYR 2 -6.586 1.437 -3.123 15 H CYS 3 H CYS 3 -1.773 1.229 -5.843 16 HA CYS 3 HA CYS 3 -0.530 3.718 -6.640 17 HB2 CYS 3 HB2 CYS 3 -0.195 2.988 -9.062 18 HB3 CYS 3 HB3 CYS 3 1.009 2.404 -7.895 19 H ALA 4 H ALA 4 -1.784 4.898 -8.195 20 HA ALA 4 HA ALA 4 -4.622 4.137 -8.038 21 HB1 ALA 4 HB1 ALA 4 -4.768 6.425 -9.348 22 HB2 ALA 4 HB2 ALA 4 -4.423 6.385 -7.602 23 HB3 ALA 4 HB3 ALA 4 -3.095 6.607 -8.768 24 H GLU 5 H GLU 5 -6.045 4.300 -9.933 25 HA GLU 5 HA GLU 5 -4.637 3.235 -12.349 26 HB2 GLU 5 HB2 GLU 5 -7.365 2.668 -11.169 27 HB3 GLU 5 HB3 GLU 5 -6.995 2.301 -12.864 28 HG2 GLU 5 HG2 GLU 5 -5.001 0.976 -11.970 29 HG3 GLU 5 HG3 GLU 5 -5.773 1.122 -10.374 30 H LYS 6 H LYS 6 -6.178 3.501 -14.370 31 HA LYS 6 HA LYS 6 -6.160 6.236 -15.040 32 HB2 LYS 6 HB2 LYS 6 -6.252 4.281 -16.627 33 HB3 LYS 6 HB3 LYS 6 -7.977 4.117 -16.243 34 HG2 LYS 6 HG2 LYS 6 -8.180 6.571 -16.984 35 HG3 LYS 6 HG3 LYS 6 -6.569 6.340 -17.706 36 HD2 LYS 6 HD2 LYS 6 -7.343 4.718 -19.210 37 HD3 LYS 6 HD3 LYS 6 -8.820 4.415 -18.266 38 HE2 LYS 6 HE2 LYS 6 -9.575 5.656 -20.100 39 HE3 LYS 6 HE3 LYS 6 -9.421 6.865 -18.802 40 HZ1 LYS 6 HZ1 LYS 6 -6.977 6.631 -20.219 41 HZ2 LYS 6 HZ2 LYS 6 -7.970 7.988 -20.023 42 HZ3 LYS 6 HZ3 LYS 6 -8.238 6.923 -21.310 43 H GLY 7 H GLY 7 -7.382 7.902 -14.480 44 HA2 GLY 7 HA2 GLY 7 -9.464 9.018 -14.197 45 HA3 GLY 7 HA3 GLY 7 -10.275 7.451 -14.015 46 H ILE 8 H ILE 8 -7.984 6.715 -12.082 47 HA ILE 8 HA ILE 8 -9.440 7.541 -9.701 48 HB ILE 8 HB ILE 8 -6.781 6.090 -9.932 49 HG12 ILE 8 HG12 ILE 8 -8.567 4.867 -11.080 50 HG13 ILE 8 HG13 ILE 8 -8.133 4.042 -9.565 51 HG21 ILE 8 HG21 ILE 8 -8.123 7.191 -7.690 52 HG22 ILE 8 HG22 ILE 8 -8.315 5.424 -7.599 53 HG23 ILE 8 HG23 ILE 8 -6.688 6.137 -7.708 54 HD11 ILE 8 HD11 ILE 8 -10.161 5.659 -8.729 55 HD12 ILE 8 HD12 ILE 8 -10.664 5.285 -10.397 56 HD13 ILE 8 HD13 ILE 8 -10.348 3.966 -9.245 57 H LYS 9 H LYS 9 -9.308 9.666 -9.227 58 HA LYS 9 HA LYS 9 -7.084 11.343 -9.644 59 HB2 LYS 9 HB2 LYS 9 -9.430 11.404 -7.752 60 HB3 LYS 9 HB3 LYS 9 -8.146 12.619 -7.597 61 HG2 LYS 9 HG2 LYS 9 -8.685 13.650 -9.562 62 HG3 LYS 9 HG3 LYS 9 -9.314 12.156 -10.303 63 HD2 LYS 9 HD2 LYS 9 -11.272 12.285 -8.757 64 HD3 LYS 9 HD3 LYS 9 -10.658 13.854 -8.178 65 HE2 LYS 9 HE2 LYS 9 -11.234 13.281 -11.094 66 HE3 LYS 9 HE3 LYS 9 -12.457 13.931 -9.975 67 HZ1 LYS 9 HZ1 LYS 9 -10.544 15.352 -11.392 68 HZ2 LYS 9 HZ2 LYS 9 -10.052 15.418 -9.775 69 HZ3 LYS 9 HZ3 LYS 9 -11.599 15.948 -10.210 70 H CYS 10 H CYS 10 -5.198 11.699 -8.658 71 HA CYS 10 HA CYS 10 -4.758 10.297 -6.051 72 HB2 CYS 10 HB2 CYS 10 -2.326 10.167 -6.807 73 HB3 CYS 10 HB3 CYS 10 -3.470 9.121 -7.674 74 H HIS 11 H HIS 11 -3.836 11.407 -4.412 75 HA HIS 11 HA HIS 11 -3.476 14.313 -4.880 76 HB2 HIS 11 HB2 HIS 11 -3.791 12.612 -2.389 77 HB3 HIS 11 HB3 HIS 11 -3.321 14.323 -2.314 78 HD2 HIS 11 HD2 HIS 11 -6.264 12.664 -4.405 79 HE1 HIS 11 HE1 HIS 11 -7.789 15.826 -2.024 80 HE2 HIS 11 HE2 HIS 11 -8.370 14.061 -3.764 81 H ASN 12 H ASN 12 -1.762 11.566 -3.334 82 HA ASN 12 HA ASN 12 0.787 12.979 -3.976 83 HB2 ASN 12 HB2 ASN 12 1.726 12.376 -1.814 84 HB3 ASN 12 HB3 ASN 12 0.229 13.300 -1.562 85 HD21 ASN 12 HD21 ASN 12 1.794 11.228 0.021 86 HD22 ASN 12 HD22 ASN 12 0.536 10.033 0.495 87 H ILE 13 H ILE 13 -1.081 10.417 -4.604 88 HA ILE 13 HA ILE 13 1.161 8.450 -4.586 89 HB ILE 13 HB ILE 13 -1.077 7.809 -3.603 90 HG12 ILE 13 HG12 ILE 13 -0.343 6.119 -6.016 91 HG13 ILE 13 HG13 ILE 13 0.685 6.218 -4.570 92 HG21 ILE 13 HG21 ILE 13 -2.895 7.246 -5.148 93 HG22 ILE 13 HG22 ILE 13 -2.496 8.978 -5.226 94 HG23 ILE 13 HG23 ILE 13 -1.942 7.878 -6.511 95 HD11 ILE 13 HD11 ILE 13 -0.495 4.469 -3.846 96 HD12 ILE 13 HD12 ILE 13 -1.782 5.651 -3.504 97 HD13 ILE 13 HD13 ILE 13 -1.795 4.738 -5.031 98 H HIS 14 H HIS 14 1.543 7.135 -6.473 99 HA HIS 14 HA HIS 14 1.039 8.703 -8.963 100 HB2 HIS 14 HB2 HIS 14 2.993 7.540 -9.889 101 HB3 HIS 14 HB3 HIS 14 3.410 8.344 -8.362 102 HD2 HIS 14 HD2 HIS 14 3.702 6.512 -6.143 103 HE1 HIS 14 HE1 HIS 14 4.294 3.152 -8.664 104 HE2 HIS 14 HE2 HIS 14 4.484 4.029 -6.283 105 H CYS 15 H CYS 15 0.509 7.616 -10.920 106 HA CYS 15 HA CYS 15 -1.411 5.482 -10.489 107 HB2 CYS 15 HB2 CYS 15 -0.335 6.492 -13.145 108 HB3 CYS 15 HB3 CYS 15 -1.885 5.679 -12.840 109 H CYS 16 H CYS 16 -1.388 3.369 -11.289 110 HA CYS 16 HA CYS 16 1.063 1.985 -10.992 111 HB2 CYS 16 HB2 CYS 16 -1.381 1.061 -12.551 112 HB3 CYS 16 HB3 CYS 16 -0.129 0.029 -11.828 113 H SER 17 H SER 17 1.737 0.323 -12.831 114 HA SER 17 HA SER 17 3.175 1.806 -14.741 115 HB2 SER 17 HB2 SER 17 3.279 -0.492 -15.968 116 HB3 SER 17 HB3 SER 17 3.967 -0.369 -14.331 117 HG SER 17 HG SER 17 2.620 -2.232 -14.595 118 H GLY 18 H GLY 18 2.895 2.394 -16.848 119 HA2 GLY 18 HA2 GLY 18 1.757 2.409 -18.942 120 HA3 GLY 18 HA3 GLY 18 0.375 1.586 -18.193 121 H LEU 19 H LEU 19 0.565 3.582 -15.892 122 HA LEU 19 HA LEU 19 -0.728 5.850 -17.356 123 HB2 LEU 19 HB2 LEU 19 -1.421 4.766 -14.610 124 HB3 LEU 19 HB3 LEU 19 -2.218 6.121 -15.442 125 HG LEU 19 HG LEU 19 -2.203 3.415 -16.736 126 HD11 LEU 19 HD11 LEU 19 -3.863 4.258 -14.362 127 HD12 LEU 19 HD12 LEU 19 -2.936 2.758 -14.599 128 HD13 LEU 19 HD13 LEU 19 -4.425 3.039 -15.531 129 HD21 LEU 19 HD21 LEU 19 -3.064 5.295 -17.997 130 HD22 LEU 19 HD22 LEU 19 -4.138 5.748 -16.652 131 HD23 LEU 19 HD23 LEU 19 -4.408 4.224 -17.534 132 H THR 20 H THR 20 -0.500 7.947 -16.488 133 HA THR 20 HA THR 20 1.714 8.188 -14.491 134 HB THR 20 HB THR 20 1.299 10.009 -16.889 135 HG1 THR 20 HG1 THR 20 3.254 8.980 -17.651 136 HG21 THR 20 HG21 THR 20 3.244 9.933 -14.593 137 HG22 THR 20 HG22 THR 20 2.368 11.316 -15.289 138 HG23 THR 20 HG23 THR 20 3.744 10.601 -16.165 139 H CYS 21 H CYS 21 1.416 9.590 -12.857 140 HA CYS 21 HA CYS 21 -1.225 10.680 -12.461 141 HB2 CYS 21 HB2 CYS 21 0.562 9.904 -10.719 142 HB3 CYS 21 HB3 CYS 21 1.207 11.550 -10.892 143 H LYS 22 H LYS 22 -1.612 12.053 -14.230 144 HA LYS 22 HA LYS 22 0.145 14.391 -14.573 145 HB2 LYS 22 HB2 LYS 22 -2.310 13.339 -15.986 146 HB3 LYS 22 HB3 LYS 22 -1.718 14.984 -16.291 147 HG2 LYS 22 HG2 LYS 22 0.575 13.728 -16.671 148 HG3 LYS 22 HG3 LYS 22 -0.502 12.346 -16.993 149 HD2 LYS 22 HD2 LYS 22 -1.671 13.624 -18.708 150 HD3 LYS 22 HD3 LYS 22 -0.678 15.057 -18.348 151 HE2 LYS 22 HE2 LYS 22 1.309 13.966 -19.127 152 HE3 LYS 22 HE3 LYS 22 0.465 12.405 -19.262 153 HZ1 LYS 22 HZ1 LYS 22 -1.039 13.711 -20.898 154 HZ2 LYS 22 HZ2 LYS 22 0.470 13.155 -21.423 155 HZ3 LYS 22 HZ3 LYS 22 0.268 14.782 -20.999 156 H CYS 23 H CYS 23 -0.432 16.536 -14.239 157 HA CYS 23 HA CYS 23 -2.985 16.997 -12.779 158 HB2 CYS 23 HB2 CYS 23 -0.191 17.636 -11.808 159 HB3 CYS 23 HB3 CYS 23 -1.596 18.569 -11.250 160 H LYS 24 H LYS 24 -4.062 18.462 -13.898 161 HA LYS 24 HA LYS 24 -2.481 20.624 -15.229 162 HB2 LYS 24 HB2 LYS 24 -3.890 18.995 -16.638 163 HB3 LYS 24 HB3 LYS 24 -5.309 19.802 -15.939 164 HG2 LYS 24 HG2 LYS 24 -4.894 21.792 -17.042 165 HG3 LYS 24 HG3 LYS 24 -3.163 21.433 -17.258 166 HD2 LYS 24 HD2 LYS 24 -4.232 21.228 -19.397 167 HD3 LYS 24 HD3 LYS 24 -3.823 19.590 -18.830 168 HE2 LYS 24 HE2 LYS 24 -6.525 20.707 -18.185 169 HE3 LYS 24 HE3 LYS 24 -6.203 20.156 -19.847 170 HZ1 LYS 24 HZ1 LYS 24 -6.442 18.610 -17.384 171 HZ2 LYS 24 HZ2 LYS 24 -5.258 18.092 -18.475 172 HZ3 LYS 24 HZ3 LYS 24 -6.872 18.202 -18.967 173 H GLY 25 H GLY 25 -2.403 22.157 -13.637 174 HA2 GLY 25 HA2 GLY 25 -3.331 24.119 -12.715 175 HA3 GLY 25 HA3 GLY 25 -4.953 23.554 -13.158 176 H SER 26 H SER 26 -6.251 22.945 -11.572 177 HA SER 26 HA SER 26 -4.961 22.273 -8.958 178 HB2 SER 26 HB2 SER 26 -7.847 23.093 -9.137 179 HB3 SER 26 HB3 SER 26 -6.662 23.377 -7.840 180 HG SER 26 HG SER 26 -7.172 25.300 -9.019 181 H SER 27 H SER 27 -5.594 20.490 -11.283 182 HA SER 27 HA SER 27 -7.389 18.621 -9.786 183 HB2 SER 27 HB2 SER 27 -8.262 19.709 -12.013 184 HB3 SER 27 HB3 SER 27 -7.164 18.548 -12.795 185 HG SER 27 HG SER 27 -9.302 17.708 -12.524 186 H CYS 28 H CYS 28 -6.936 16.386 -9.970 187 HA CYS 28 HA CYS 28 -4.314 15.708 -11.200 188 HB2 CYS 28 HB2 CYS 28 -5.071 15.424 -8.288 189 HB3 CYS 28 HB3 CYS 28 -3.923 14.292 -9.033 190 H VAL 29 H VAL 29 -4.963 14.293 -12.697 191 HA VAL 29 HA VAL 29 -6.484 11.925 -11.710 192 HB VAL 29 HB VAL 29 -7.021 13.254 -14.386 193 HG11 VAL 29 HG11 VAL 29 -8.230 10.911 -12.909 194 HG12 VAL 29 HG12 VAL 29 -9.073 11.744 -14.238 195 HG13 VAL 29 HG13 VAL 29 -7.509 10.946 -14.536 196 HG21 VAL 29 HG21 VAL 29 -9.343 13.465 -12.934 197 HG22 VAL 29 HG22 VAL 29 -8.099 13.794 -11.703 198 HG23 VAL 29 HG23 VAL 29 -8.164 14.776 -13.187 199 H CYS 30 H CYS 30 -6.085 9.974 -12.800 200 HA CYS 30 HA CYS 30 -3.394 9.810 -13.891 201 HB2 CYS 30 HB2 CYS 30 -5.602 7.753 -13.521 202 HB3 CYS 30 HB3 CYS 30 -3.987 7.361 -14.148 203 H ARG 31 H ARG 31 -2.732 9.725 -15.943 204 HA ARG 31 HA ARG 31 -4.744 9.164 -18.056 205 HB2 ARG 31 HB2 ARG 31 -2.897 11.577 -18.132 206 HB3 ARG 31 HB3 ARG 31 -4.084 11.107 -19.365 207 HG2 ARG 31 HG2 ARG 31 -4.861 11.777 -16.524 208 HG3 ARG 31 HG3 ARG 31 -4.734 13.003 -17.811 209 HD2 ARG 31 HD2 ARG 31 -6.517 10.547 -17.837 210 HD3 ARG 31 HD3 ARG 31 -7.041 12.223 -17.547 211 HE ARG 31 HE ARG 31 -5.645 12.014 -20.053 212 HH11 ARG 31 HH11 ARG 31 -8.704 11.260 -18.458 213 HH12 ARG 31 HH12 ARG 31 -9.643 11.338 -19.954 214 HH21 ARG 31 HH21 ARG 31 -6.863 12.114 -21.978 215 HH22 ARG 31 HH22 ARG 31 -8.604 11.818 -21.938 216 H LYS 32 H LYS 32 -3.942 8.194 -19.874 217 HA LYS 32 HA LYS 32 -1.612 6.657 -19.662 218 HB2 LYS 32 HB2 LYS 32 -3.009 7.674 -22.164 219 HB3 LYS 32 HB3 LYS 32 -1.788 6.388 -22.147 220 HG2 LYS 32 HG2 LYS 32 -3.306 5.142 -20.542 221 HG3 LYS 32 HG3 LYS 32 -4.551 6.356 -20.928 222 HD2 LYS 32 HD2 LYS 32 -3.110 4.765 -23.060 223 HD3 LYS 32 HD3 LYS 32 -4.596 4.183 -22.271 224 HE2 LYS 32 HE2 LYS 32 -4.292 6.802 -23.772 225 HE3 LYS 32 HE3 LYS 32 -5.063 5.326 -24.403 226 HZ1 LYS 32 HZ1 LYS 32 -6.522 5.563 -22.290 227 HZ2 LYS 32 HZ2 LYS 32 -6.848 6.530 -23.639 228 HZ3 LYS 32 HZ3 LYS 32 -6.017 7.178 -22.315 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 3.130 -1.981 -0.485 2 H2 GLY 1 H2 GLY 1 1.561 -1.334 -0.445 3 H3 GLY 1 H3 GLY 1 1.835 -2.851 -1.156 4 HA2 GLY 1 HA2 GLY 1 2.891 -0.272 -2.110 5 HA3 GLY 1 HA3 GLY 1 3.173 -1.858 -2.852 6 H TYR 2 H TYR 2 1.164 0.885 -2.704 7 HA TYR 2 HA TYR 2 -0.747 -0.474 -4.550 8 HB2 TYR 2 HB2 TYR 2 -2.606 0.822 -3.542 9 HB3 TYR 2 HB3 TYR 2 -1.864 -0.302 -2.383 10 HD1 TYR 2 HD1 TYR 2 -0.192 0.647 -0.713 11 HD2 TYR 2 HD2 TYR 2 -2.746 3.113 -3.056 12 HE1 TYR 2 HE1 TYR 2 0.156 2.500 0.867 13 HE2 TYR 2 HE2 TYR 2 -2.404 4.973 -1.484 14 HH TYR 2 HH TYR 2 -1.394 5.678 0.353 15 H CYS 3 H CYS 3 -1.889 0.977 -5.995 16 HA CYS 3 HA CYS 3 -0.760 3.696 -6.240 17 HB2 CYS 3 HB2 CYS 3 -0.308 3.262 -8.714 18 HB3 CYS 3 HB3 CYS 3 0.841 2.536 -7.570 19 H ALA 4 H ALA 4 -1.808 4.876 -8.135 20 HA ALA 4 HA ALA 4 -4.705 4.316 -7.962 21 HB1 ALA 4 HB1 ALA 4 -5.055 6.527 -8.643 22 HB2 ALA 4 HB2 ALA 4 -3.591 6.617 -7.633 23 HB3 ALA 4 HB3 ALA 4 -3.452 6.647 -9.408 24 H GLU 5 H GLU 5 -6.089 4.287 -9.816 25 HA GLU 5 HA GLU 5 -4.675 3.186 -12.209 26 HB2 GLU 5 HB2 GLU 5 -7.408 2.658 -11.019 27 HB3 GLU 5 HB3 GLU 5 -7.032 2.237 -12.701 28 HG2 GLU 5 HG2 GLU 5 -4.966 1.028 -11.610 29 HG3 GLU 5 HG3 GLU 5 -5.989 1.063 -10.155 30 H LYS 6 H LYS 6 -6.249 3.377 -14.232 31 HA LYS 6 HA LYS 6 -6.211 6.087 -15.003 32 HB2 LYS 6 HB2 LYS 6 -6.434 3.904 -16.411 33 HB3 LYS 6 HB3 LYS 6 -8.180 4.114 -16.175 34 HG2 LYS 6 HG2 LYS 6 -6.589 6.438 -17.176 35 HG3 LYS 6 HG3 LYS 6 -6.936 5.092 -18.289 36 HD2 LYS 6 HD2 LYS 6 -9.380 5.339 -17.518 37 HD3 LYS 6 HD3 LYS 6 -8.872 6.908 -16.846 38 HE2 LYS 6 HE2 LYS 6 -8.462 6.072 -19.733 39 HE3 LYS 6 HE3 LYS 6 -9.853 7.020 -19.154 40 HZ1 LYS 6 HZ1 LYS 6 -7.004 7.844 -18.886 41 HZ2 LYS 6 HZ2 LYS 6 -8.358 8.753 -18.437 42 HZ3 LYS 6 HZ3 LYS 6 -8.072 8.413 -20.069 43 H GLY 7 H GLY 7 -7.398 7.778 -14.449 44 HA2 GLY 7 HA2 GLY 7 -9.461 8.932 -14.189 45 HA3 GLY 7 HA3 GLY 7 -10.298 7.382 -13.979 46 H ILE 8 H ILE 8 -8.012 6.650 -12.033 47 HA ILE 8 HA ILE 8 -9.459 7.527 -9.666 48 HB ILE 8 HB ILE 8 -6.795 6.079 -9.844 49 HG12 ILE 8 HG12 ILE 8 -8.573 4.863 -11.043 50 HG13 ILE 8 HG13 ILE 8 -8.114 4.017 -9.548 51 HG21 ILE 8 HG21 ILE 8 -8.194 7.181 -7.646 52 HG22 ILE 8 HG22 ILE 8 -8.408 5.417 -7.556 53 HG23 ILE 8 HG23 ILE 8 -6.770 6.114 -7.619 54 HD11 ILE 8 HD11 ILE 8 -10.269 5.826 -8.993 55 HD12 ILE 8 HD12 ILE 8 -10.685 4.804 -10.391 56 HD13 ILE 8 HD13 ILE 8 -10.212 4.054 -8.847 57 H LYS 9 H LYS 9 -9.316 9.658 -9.224 58 HA LYS 9 HA LYS 9 -7.092 11.323 -9.673 59 HB2 LYS 9 HB2 LYS 9 -9.421 11.415 -7.759 60 HB3 LYS 9 HB3 LYS 9 -8.136 12.634 -7.645 61 HG2 LYS 9 HG2 LYS 9 -8.707 13.631 -9.615 62 HG3 LYS 9 HG3 LYS 9 -9.325 12.121 -10.330 63 HD2 LYS 9 HD2 LYS 9 -11.225 13.489 -9.958 64 HD3 LYS 9 HD3 LYS 9 -11.237 12.276 -8.655 65 HE2 LYS 9 HE2 LYS 9 -10.519 13.825 -7.046 66 HE3 LYS 9 HE3 LYS 9 -9.939 14.973 -8.277 67 HZ1 LYS 9 HZ1 LYS 9 -12.796 14.287 -7.786 68 HZ2 LYS 9 HZ2 LYS 9 -12.219 15.425 -8.896 69 HZ3 LYS 9 HZ3 LYS 9 -12.022 15.687 -7.236 70 H CYS 10 H CYS 10 -5.205 11.707 -8.693 71 HA CYS 10 HA CYS 10 -4.749 10.329 -6.075 72 HB2 CYS 10 HB2 CYS 10 -2.320 10.193 -6.842 73 HB3 CYS 10 HB3 CYS 10 -3.468 9.136 -7.692 74 H HIS 11 H HIS 11 -3.819 11.456 -4.454 75 HA HIS 11 HA HIS 11 -3.464 14.359 -4.956 76 HB2 HIS 11 HB2 HIS 11 -3.570 12.770 -2.362 77 HB3 HIS 11 HB3 HIS 11 -3.452 14.539 -2.479 78 HD2 HIS 11 HD2 HIS 11 -5.893 13.822 -5.116 79 HE1 HIS 11 HE1 HIS 11 -8.229 13.881 -1.574 80 HE2 HIS 11 HE2 HIS 11 -8.299 13.949 -4.117 81 H ASN 12 H ASN 12 -1.740 11.631 -3.389 82 HA ASN 12 HA ASN 12 0.803 13.039 -4.060 83 HB2 ASN 12 HB2 ASN 12 1.755 12.502 -1.901 84 HB3 ASN 12 HB3 ASN 12 0.225 13.368 -1.636 85 HD21 ASN 12 HD21 ASN 12 1.376 11.907 0.366 86 HD22 ASN 12 HD22 ASN 12 0.371 10.449 0.683 87 H ILE 13 H ILE 13 -1.064 10.469 -4.649 88 HA ILE 13 HA ILE 13 1.178 8.505 -4.621 89 HB ILE 13 HB ILE 13 -1.053 7.873 -3.619 90 HG12 ILE 13 HG12 ILE 13 -0.428 6.116 -6.001 91 HG13 ILE 13 HG13 ILE 13 0.740 6.304 -4.675 92 HG21 ILE 13 HG21 ILE 13 -2.877 7.288 -5.148 93 HG22 ILE 13 HG22 ILE 13 -2.483 9.020 -5.249 94 HG23 ILE 13 HG23 ILE 13 -1.931 7.905 -6.523 95 HD11 ILE 13 HD11 ILE 13 -0.344 4.492 -3.879 96 HD12 ILE 13 HD12 ILE 13 -1.468 5.722 -3.251 97 HD13 ILE 13 HD13 ILE 13 -1.843 4.862 -4.763 98 H HIS 14 H HIS 14 1.549 7.166 -6.496 99 HA HIS 14 HA HIS 14 1.045 8.711 -8.998 100 HB2 HIS 14 HB2 HIS 14 3.246 6.890 -8.061 101 HB3 HIS 14 HB3 HIS 14 2.918 7.009 -9.803 102 HD2 HIS 14 HD2 HIS 14 3.178 9.939 -7.130 103 HE1 HIS 14 HE1 HIS 14 5.789 10.713 -10.383 104 HE2 HIS 14 HE2 HIS 14 4.886 11.607 -8.177 105 H CYS 15 H CYS 15 0.547 7.579 -10.960 106 HA CYS 15 HA CYS 15 -1.409 5.473 -10.489 107 HB2 CYS 15 HB2 CYS 15 -0.375 6.486 -13.160 108 HB3 CYS 15 HB3 CYS 15 -1.922 5.674 -12.832 109 H CYS 16 H CYS 16 -1.400 3.359 -11.279 110 HA CYS 16 HA CYS 16 1.035 1.958 -11.015 111 HB2 CYS 16 HB2 CYS 16 -1.413 1.072 -12.591 112 HB3 CYS 16 HB3 CYS 16 -0.167 0.022 -11.883 113 H SER 17 H SER 17 1.810 0.368 -12.817 114 HA SER 17 HA SER 17 3.195 1.879 -14.737 115 HB2 SER 17 HB2 SER 17 3.510 -0.366 -15.914 116 HB3 SER 17 HB3 SER 17 3.987 -0.313 -14.200 117 HG SER 17 HG SER 17 2.731 -2.183 -14.719 118 H GLY 18 H GLY 18 2.927 2.393 -16.875 119 HA2 GLY 18 HA2 GLY 18 1.787 2.289 -18.976 120 HA3 GLY 18 HA3 GLY 18 0.393 1.540 -18.176 121 H LEU 19 H LEU 19 0.595 3.622 -15.981 122 HA LEU 19 HA LEU 19 -0.632 5.851 -17.557 123 HB2 LEU 19 HB2 LEU 19 -1.338 5.039 -14.726 124 HB3 LEU 19 HB3 LEU 19 -2.174 6.223 -15.758 125 HG LEU 19 HG LEU 19 -2.026 3.337 -16.592 126 HD11 LEU 19 HD11 LEU 19 -4.052 4.519 -14.671 127 HD12 LEU 19 HD12 LEU 19 -2.810 3.310 -14.266 128 HD13 LEU 19 HD13 LEU 19 -4.116 2.897 -15.404 129 HD21 LEU 19 HD21 LEU 19 -3.353 4.061 -18.224 130 HD22 LEU 19 HD22 LEU 19 -3.190 5.718 -17.597 131 HD23 LEU 19 HD23 LEU 19 -4.523 4.683 -17.034 132 H THR 20 H THR 20 -0.584 7.982 -16.481 133 HA THR 20 HA THR 20 1.762 8.262 -14.656 134 HB THR 20 HB THR 20 1.231 10.072 -17.040 135 HG1 THR 20 HG1 THR 20 3.174 9.072 -17.870 136 HG21 THR 20 HG21 THR 20 3.890 10.249 -16.028 137 HG22 THR 20 HG22 THR 20 2.776 10.391 -14.646 138 HG23 THR 20 HG23 THR 20 2.622 11.498 -16.032 139 H CYS 21 H CYS 21 1.412 9.533 -12.954 140 HA CYS 21 HA CYS 21 -1.207 10.682 -12.557 141 HB2 CYS 21 HB2 CYS 21 0.462 9.759 -10.802 142 HB3 CYS 21 HB3 CYS 21 1.243 11.351 -10.910 143 H LYS 22 H LYS 22 -1.516 12.152 -14.260 144 HA LYS 22 HA LYS 22 0.303 14.486 -14.359 145 HB2 LYS 22 HB2 LYS 22 -2.003 13.528 -16.074 146 HB3 LYS 22 HB3 LYS 22 -1.320 15.155 -16.254 147 HG2 LYS 22 HG2 LYS 22 0.819 14.273 -16.863 148 HG3 LYS 22 HG3 LYS 22 0.313 12.616 -16.451 149 HD2 LYS 22 HD2 LYS 22 -1.589 13.154 -18.237 150 HD3 LYS 22 HD3 LYS 22 -0.359 14.297 -18.831 151 HE2 LYS 22 HE2 LYS 22 0.157 11.354 -18.322 152 HE3 LYS 22 HE3 LYS 22 -0.300 12.026 -19.905 153 HZ1 LYS 22 HZ1 LYS 22 1.984 11.990 -20.022 154 HZ2 LYS 22 HZ2 LYS 22 2.207 12.371 -18.390 155 HZ3 LYS 22 HZ3 LYS 22 1.722 13.572 -19.480 156 H CYS 23 H CYS 23 -0.343 16.616 -14.014 157 HA CYS 23 HA CYS 23 -3.039 16.984 -12.802 158 HB2 CYS 23 HB2 CYS 23 -0.378 17.736 -11.545 159 HB3 CYS 23 HB3 CYS 23 -1.923 18.454 -11.040 160 H LYS 24 H LYS 24 -4.021 18.473 -13.975 161 HA LYS 24 HA LYS 24 -2.351 20.679 -15.105 162 HB2 LYS 24 HB2 LYS 24 -5.028 19.538 -15.983 163 HB3 LYS 24 HB3 LYS 24 -4.296 20.995 -16.680 164 HG2 LYS 24 HG2 LYS 24 -2.667 18.493 -16.615 165 HG3 LYS 24 HG3 LYS 24 -4.001 18.610 -17.787 166 HD2 LYS 24 HD2 LYS 24 -3.044 20.777 -18.574 167 HD3 LYS 24 HD3 LYS 24 -1.659 20.514 -17.485 168 HE2 LYS 24 HE2 LYS 24 -1.077 19.811 -19.729 169 HE3 LYS 24 HE3 LYS 24 -1.178 18.389 -18.664 170 HZ1 LYS 24 HZ1 LYS 24 -3.683 18.959 -19.914 171 HZ2 LYS 24 HZ2 LYS 24 -2.781 17.528 -19.919 172 HZ3 LYS 24 HZ3 LYS 24 -2.464 18.732 -21.065 173 H GLY 25 H GLY 25 -2.339 22.165 -13.471 174 HA2 GLY 25 HA2 GLY 25 -3.302 24.121 -12.562 175 HA3 GLY 25 HA3 GLY 25 -4.907 23.560 -13.065 176 H SER 26 H SER 26 -6.251 22.919 -11.530 177 HA SER 26 HA SER 26 -5.039 22.199 -8.892 178 HB2 SER 26 HB2 SER 26 -7.208 22.938 -7.905 179 HB3 SER 26 HB3 SER 26 -6.376 24.244 -8.783 180 HG SER 26 HG SER 26 -8.632 24.132 -9.280 181 H SER 27 H SER 27 -5.605 20.463 -11.269 182 HA SER 27 HA SER 27 -7.440 18.566 -9.860 183 HB2 SER 27 HB2 SER 27 -8.329 19.658 -12.031 184 HB3 SER 27 HB3 SER 27 -7.123 18.655 -12.873 185 HG SER 27 HG SER 27 -9.190 17.630 -12.728 186 H CYS 28 H CYS 28 -6.959 16.351 -10.010 187 HA CYS 28 HA CYS 28 -4.331 15.672 -11.224 188 HB2 CYS 28 HB2 CYS 28 -5.113 15.336 -8.318 189 HB3 CYS 28 HB3 CYS 28 -3.889 14.294 -9.077 190 H VAL 29 H VAL 29 -4.966 14.247 -12.715 191 HA VAL 29 HA VAL 29 -6.452 11.865 -11.723 192 HB VAL 29 HB VAL 29 -7.080 13.214 -14.369 193 HG11 VAL 29 HG11 VAL 29 -7.504 10.871 -14.490 194 HG12 VAL 29 HG12 VAL 29 -8.268 10.860 -12.881 195 HG13 VAL 29 HG13 VAL 29 -9.075 11.669 -14.245 196 HG21 VAL 29 HG21 VAL 29 -9.367 13.380 -12.873 197 HG22 VAL 29 HG22 VAL 29 -8.112 13.687 -11.649 198 HG23 VAL 29 HG23 VAL 29 -8.202 14.704 -13.108 199 H CYS 30 H CYS 30 -6.049 9.930 -12.837 200 HA CYS 30 HA CYS 30 -3.386 9.813 -13.996 201 HB2 CYS 30 HB2 CYS 30 -5.548 7.694 -13.694 202 HB3 CYS 30 HB3 CYS 30 -3.881 7.377 -14.222 203 H ARG 31 H ARG 31 -2.781 9.849 -16.058 204 HA ARG 31 HA ARG 31 -4.810 9.237 -18.140 205 HB2 ARG 31 HB2 ARG 31 -3.074 11.733 -18.196 206 HB3 ARG 31 HB3 ARG 31 -4.258 11.234 -19.422 207 HG2 ARG 31 HG2 ARG 31 -5.025 11.801 -16.557 208 HG3 ARG 31 HG3 ARG 31 -4.968 13.065 -17.810 209 HD2 ARG 31 HD2 ARG 31 -6.659 10.548 -17.842 210 HD3 ARG 31 HD3 ARG 31 -7.233 12.213 -17.579 211 HE ARG 31 HE ARG 31 -5.859 12.116 -20.063 212 HH11 ARG 31 HH11 ARG 31 -8.789 10.895 -18.519 213 HH12 ARG 31 HH12 ARG 31 -9.702 10.825 -20.030 214 HH21 ARG 31 HH21 ARG 31 -7.043 12.024 -22.009 215 HH22 ARG 31 HH22 ARG 31 -8.718 11.461 -21.997 216 H LYS 32 H LYS 32 -4.028 8.070 -19.781 217 HA LYS 32 HA LYS 32 -1.381 7.008 -19.634 218 HB2 LYS 32 HB2 LYS 32 -1.891 5.990 -21.823 219 HB3 LYS 32 HB3 LYS 32 -3.232 5.795 -20.678 220 HG2 LYS 32 HG2 LYS 32 -4.262 7.857 -21.773 221 HG3 LYS 32 HG3 LYS 32 -3.043 7.643 -23.054 222 HD2 LYS 32 HD2 LYS 32 -4.919 5.436 -22.173 223 HD3 LYS 32 HD3 LYS 32 -5.315 6.583 -23.474 224 HE2 LYS 32 HE2 LYS 32 -2.783 4.927 -23.455 225 HE3 LYS 32 HE3 LYS 32 -4.303 4.354 -24.181 226 HZ1 LYS 32 HZ1 LYS 32 -4.256 6.453 -25.537 227 HZ2 LYS 32 HZ2 LYS 32 -3.043 5.331 -25.904 228 HZ3 LYS 32 HZ3 LYS 32 -2.676 6.705 -24.988 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 1.372 0.962 0.988 2 H2 GLY 1 H2 GLY 1 1.566 2.042 -0.308 3 H3 GLY 1 H3 GLY 1 0.103 1.202 -0.115 4 HA2 GLY 1 HA2 GLY 1 2.639 0.338 -1.196 5 HA3 GLY 1 HA3 GLY 1 1.733 -0.835 -0.221 6 H TYR 2 H TYR 2 0.399 1.750 -2.267 7 HA TYR 2 HA TYR 2 -0.438 -0.289 -4.252 8 HB2 TYR 2 HB2 TYR 2 -2.788 0.635 -4.195 9 HB3 TYR 2 HB3 TYR 2 -2.318 -0.290 -2.751 10 HD1 TYR 2 HD1 TYR 2 -2.001 0.829 -0.614 11 HD2 TYR 2 HD2 TYR 2 -3.148 3.031 -4.068 12 HE1 TYR 2 HE1 TYR 2 -2.633 2.728 0.814 13 HE2 TYR 2 HE2 TYR 2 -3.783 4.938 -2.650 14 HH TYR 2 HH TYR 2 -3.933 5.744 -0.595 15 H CYS 3 H CYS 3 -1.908 0.994 -5.972 16 HA CYS 3 HA CYS 3 -0.692 3.664 -6.451 17 HB2 CYS 3 HB2 CYS 3 -0.347 2.964 -8.885 18 HB3 CYS 3 HB3 CYS 3 0.796 2.291 -7.702 19 H ALA 4 H ALA 4 -1.777 4.871 -8.188 20 HA ALA 4 HA ALA 4 -4.680 4.376 -8.024 21 HB1 ALA 4 HB1 ALA 4 -3.879 6.629 -7.615 22 HB2 ALA 4 HB2 ALA 4 -3.094 6.672 -9.211 23 HB3 ALA 4 HB3 ALA 4 -4.869 6.600 -9.094 24 H GLU 5 H GLU 5 -6.080 4.326 -9.848 25 HA GLU 5 HA GLU 5 -4.714 3.194 -12.252 26 HB2 GLU 5 HB2 GLU 5 -7.390 2.692 -10.959 27 HB3 GLU 5 HB3 GLU 5 -7.169 2.364 -12.689 28 HG2 GLU 5 HG2 GLU 5 -5.644 0.660 -12.310 29 HG3 GLU 5 HG3 GLU 5 -5.237 1.245 -10.680 30 H LYS 6 H LYS 6 -6.337 3.399 -14.251 31 HA LYS 6 HA LYS 6 -6.239 6.115 -15.033 32 HB2 LYS 6 HB2 LYS 6 -6.471 3.954 -16.454 33 HB3 LYS 6 HB3 LYS 6 -8.216 4.140 -16.194 34 HG2 LYS 6 HG2 LYS 6 -7.854 6.551 -17.085 35 HG3 LYS 6 HG3 LYS 6 -6.321 5.905 -17.719 36 HD2 LYS 6 HD2 LYS 6 -7.658 4.075 -18.823 37 HD3 LYS 6 HD3 LYS 6 -9.130 4.953 -18.340 38 HE2 LYS 6 HE2 LYS 6 -6.962 6.394 -19.836 39 HE3 LYS 6 HE3 LYS 6 -8.072 5.318 -20.717 40 HZ1 LYS 6 HZ1 LYS 6 -9.847 6.672 -20.307 41 HZ2 LYS 6 HZ2 LYS 6 -8.626 7.841 -20.371 42 HZ3 LYS 6 HZ3 LYS 6 -9.210 7.307 -18.875 43 H GLY 7 H GLY 7 -7.402 7.819 -14.470 44 HA2 GLY 7 HA2 GLY 7 -9.453 8.998 -14.213 45 HA3 GLY 7 HA3 GLY 7 -10.308 7.457 -14.005 46 H ILE 8 H ILE 8 -8.036 6.693 -12.057 47 HA ILE 8 HA ILE 8 -9.472 7.588 -9.691 48 HB ILE 8 HB ILE 8 -6.830 6.100 -9.873 49 HG12 ILE 8 HG12 ILE 8 -8.621 4.903 -11.064 50 HG13 ILE 8 HG13 ILE 8 -8.189 4.061 -9.560 51 HG21 ILE 8 HG21 ILE 8 -8.325 7.167 -7.666 52 HG22 ILE 8 HG22 ILE 8 -8.334 5.391 -7.578 53 HG23 ILE 8 HG23 ILE 8 -6.787 6.270 -7.654 54 HD11 ILE 8 HD11 ILE 8 -10.738 4.954 -10.428 55 HD12 ILE 8 HD12 ILE 8 -10.306 4.111 -8.921 56 HD13 ILE 8 HD13 ILE 8 -10.296 5.890 -8.982 57 H LYS 9 H LYS 9 -9.300 9.706 -9.223 58 HA LYS 9 HA LYS 9 -7.058 11.347 -9.677 59 HB2 LYS 9 HB2 LYS 9 -9.361 11.462 -7.727 60 HB3 LYS 9 HB3 LYS 9 -8.072 12.681 -7.664 61 HG2 LYS 9 HG2 LYS 9 -8.696 13.651 -9.630 62 HG3 LYS 9 HG3 LYS 9 -9.323 12.131 -10.312 63 HD2 LYS 9 HD2 LYS 9 -11.324 12.276 -9.024 64 HD3 LYS 9 HD3 LYS 9 -10.665 13.599 -8.030 65 HE2 LYS 9 HE2 LYS 9 -10.450 14.787 -10.395 66 HE3 LYS 9 HE3 LYS 9 -11.746 13.643 -10.820 67 HZ1 LYS 9 HZ1 LYS 9 -11.854 16.010 -9.193 68 HZ2 LYS 9 HZ2 LYS 9 -12.549 14.670 -8.430 69 HZ3 LYS 9 HZ3 LYS 9 -13.106 15.159 -9.950 70 H CYS 10 H CYS 10 -5.178 11.742 -8.675 71 HA CYS 10 HA CYS 10 -4.723 10.327 -6.079 72 HB2 CYS 10 HB2 CYS 10 -2.295 10.183 -6.850 73 HB3 CYS 10 HB3 CYS 10 -3.450 9.140 -7.707 74 H HIS 11 H HIS 11 -3.785 11.435 -4.448 75 HA HIS 11 HA HIS 11 -3.412 14.338 -4.926 76 HB2 HIS 11 HB2 HIS 11 -3.818 12.621 -2.473 77 HB3 HIS 11 HB3 HIS 11 -3.179 14.272 -2.323 78 HD2 HIS 11 HD2 HIS 11 -6.411 12.671 -3.998 79 HE1 HIS 11 HE1 HIS 11 -7.366 16.454 -2.333 80 HE2 HIS 11 HE2 HIS 11 -8.292 14.420 -3.552 81 H ASN 12 H ASN 12 -1.704 11.586 -3.383 82 HA ASN 12 HA ASN 12 0.848 12.983 -4.044 83 HB2 ASN 12 HB2 ASN 12 1.777 12.593 -1.904 84 HB3 ASN 12 HB3 ASN 12 0.138 13.196 -1.573 85 HD21 ASN 12 HD21 ASN 12 -1.202 12.023 -0.378 86 HD22 ASN 12 HD22 ASN 12 -0.869 10.341 0.167 87 H ILE 13 H ILE 13 -1.036 10.430 -4.655 88 HA ILE 13 HA ILE 13 1.194 8.452 -4.644 89 HB ILE 13 HB ILE 13 -1.041 7.825 -3.647 90 HG12 ILE 13 HG12 ILE 13 -0.496 6.061 -6.032 91 HG13 ILE 13 HG13 ILE 13 0.754 6.272 -4.788 92 HG21 ILE 13 HG21 ILE 13 -1.921 7.891 -6.549 93 HG22 ILE 13 HG22 ILE 13 -2.870 7.266 -5.181 94 HG23 ILE 13 HG23 ILE 13 -2.465 8.998 -5.265 95 HD11 ILE 13 HD11 ILE 13 -0.227 4.715 -3.561 96 HD12 ILE 13 HD12 ILE 13 -1.692 5.721 -3.456 97 HD13 ILE 13 HD13 ILE 13 -1.511 4.546 -4.780 98 H HIS 14 H HIS 14 1.558 7.129 -6.530 99 HA HIS 14 HA HIS 14 1.056 8.697 -9.019 100 HB2 HIS 14 HB2 HIS 14 2.981 7.452 -9.955 101 HB3 HIS 14 HB3 HIS 14 3.420 8.339 -8.480 102 HD2 HIS 14 HD2 HIS 14 2.481 4.582 -9.365 103 HE1 HIS 14 HE1 HIS 14 5.226 4.657 -6.131 104 HE2 HIS 14 HE2 HIS 14 3.910 3.159 -7.714 105 H CYS 15 H CYS 15 0.569 7.575 -10.994 106 HA CYS 15 HA CYS 15 -1.403 5.481 -10.547 107 HB2 CYS 15 HB2 CYS 15 -0.315 6.467 -13.206 108 HB3 CYS 15 HB3 CYS 15 -1.875 5.674 -12.897 109 H CYS 16 H CYS 16 -1.399 3.361 -11.309 110 HA CYS 16 HA CYS 16 1.020 1.941 -11.004 111 HB2 CYS 16 HB2 CYS 16 -1.419 1.066 -12.599 112 HB3 CYS 16 HB3 CYS 16 -0.188 0.009 -11.876 113 H SER 17 H SER 17 1.776 0.314 -12.796 114 HA SER 17 HA SER 17 3.228 1.779 -14.695 115 HB2 SER 17 HB2 SER 17 3.798 -0.522 -14.039 116 HB3 SER 17 HB3 SER 17 2.332 -1.129 -14.847 117 HG SER 17 HG SER 17 4.227 -1.339 -16.157 118 H GLY 18 H GLY 18 2.988 2.361 -16.808 119 HA2 GLY 18 HA2 GLY 18 1.888 2.348 -18.926 120 HA3 GLY 18 HA3 GLY 18 0.481 1.561 -18.185 121 H LEU 19 H LEU 19 0.571 3.536 -15.911 122 HA LEU 19 HA LEU 19 -0.663 5.801 -17.428 123 HB2 LEU 19 HB2 LEU 19 -1.313 4.734 -14.665 124 HB3 LEU 19 HB3 LEU 19 -2.066 6.156 -15.424 125 HG LEU 19 HG LEU 19 -2.233 3.529 -16.846 126 HD11 LEU 19 HD11 LEU 19 -4.517 3.447 -15.422 127 HD12 LEU 19 HD12 LEU 19 -3.426 4.143 -14.200 128 HD13 LEU 19 HD13 LEU 19 -3.035 2.579 -14.953 129 HD21 LEU 19 HD21 LEU 19 -4.278 4.428 -17.670 130 HD22 LEU 19 HD22 LEU 19 -3.070 5.733 -17.757 131 HD23 LEU 19 HD23 LEU 19 -4.279 5.725 -16.450 132 H THR 20 H THR 20 -0.611 7.916 -16.345 133 HA THR 20 HA THR 20 1.730 8.208 -14.520 134 HB THR 20 HB THR 20 1.235 10.086 -16.852 135 HG1 THR 20 HG1 THR 20 3.062 8.992 -17.816 136 HG21 THR 20 HG21 THR 20 3.739 10.539 -16.312 137 HG22 THR 20 HG22 THR 20 3.375 9.765 -14.751 138 HG23 THR 20 HG23 THR 20 2.492 11.228 -15.246 139 H CYS 21 H CYS 21 1.461 9.621 -12.892 140 HA CYS 21 HA CYS 21 -1.187 10.700 -12.455 141 HB2 CYS 21 HB2 CYS 21 0.602 9.901 -10.730 142 HB3 CYS 21 HB3 CYS 21 1.268 11.541 -10.903 143 H LYS 22 H LYS 22 -1.584 12.085 -14.210 144 HA LYS 22 HA LYS 22 0.175 14.435 -14.519 145 HB2 LYS 22 HB2 LYS 22 -2.403 13.696 -15.954 146 HB3 LYS 22 HB3 LYS 22 -1.300 15.011 -16.402 147 HG2 LYS 22 HG2 LYS 22 -0.198 12.241 -16.220 148 HG3 LYS 22 HG3 LYS 22 -1.234 12.658 -17.607 149 HD2 LYS 22 HD2 LYS 22 0.769 13.301 -18.483 150 HD3 LYS 22 HD3 LYS 22 0.370 14.808 -17.622 151 HE2 LYS 22 HE2 LYS 22 1.599 13.560 -15.623 152 HE3 LYS 22 HE3 LYS 22 2.380 12.692 -16.968 153 HZ1 LYS 22 HZ1 LYS 22 3.438 14.856 -16.073 154 HZ2 LYS 22 HZ2 LYS 22 2.252 15.642 -16.984 155 HZ3 LYS 22 HZ3 LYS 22 3.361 14.616 -17.746 156 H CYS 23 H CYS 23 -0.403 16.560 -14.136 157 HA CYS 23 HA CYS 23 -3.013 16.999 -12.774 158 HB2 CYS 23 HB2 CYS 23 -0.258 17.595 -11.675 159 HB3 CYS 23 HB3 CYS 23 -1.673 18.539 -11.164 160 H LYS 24 H LYS 24 -4.041 18.497 -13.892 161 HA LYS 24 HA LYS 24 -2.401 20.682 -15.110 162 HB2 LYS 24 HB2 LYS 24 -3.866 19.012 -16.535 163 HB3 LYS 24 HB3 LYS 24 -5.208 20.039 -15.994 164 HG2 LYS 24 HG2 LYS 24 -2.740 21.071 -17.409 165 HG3 LYS 24 HG3 LYS 24 -4.267 20.649 -18.222 166 HD2 LYS 24 HD2 LYS 24 -5.271 22.276 -16.372 167 HD3 LYS 24 HD3 LYS 24 -3.619 22.940 -16.411 168 HE2 LYS 24 HE2 LYS 24 -5.366 22.538 -18.858 169 HE3 LYS 24 HE3 LYS 24 -5.230 24.070 -17.962 170 HZ1 LYS 24 HZ1 LYS 24 -3.763 23.945 -19.924 171 HZ2 LYS 24 HZ2 LYS 24 -2.940 22.644 -19.224 172 HZ3 LYS 24 HZ3 LYS 24 -2.901 24.166 -18.484 173 H GLY 25 H GLY 25 -2.399 22.218 -13.536 174 HA2 GLY 25 HA2 GLY 25 -3.377 24.154 -12.619 175 HA3 GLY 25 HA3 GLY 25 -4.978 23.573 -13.111 176 H SER 26 H SER 26 -6.312 22.933 -11.566 177 HA SER 26 HA SER 26 -5.085 22.247 -8.925 178 HB2 SER 26 HB2 SER 26 -7.625 23.686 -9.693 179 HB3 SER 26 HB3 SER 26 -7.518 22.844 -8.129 180 HG SER 26 HG SER 26 -6.876 25.062 -7.995 181 H SER 27 H SER 27 -5.639 20.482 -11.282 182 HA SER 27 HA SER 27 -7.458 18.586 -9.855 183 HB2 SER 27 HB2 SER 27 -8.292 19.681 -12.085 184 HB3 SER 27 HB3 SER 27 -7.147 18.561 -12.860 185 HG SER 27 HG SER 27 -9.272 17.671 -12.666 186 H CYS 28 H CYS 28 -6.961 16.372 -9.988 187 HA CYS 28 HA CYS 28 -4.326 15.703 -11.191 188 HB2 CYS 28 HB2 CYS 28 -5.109 15.377 -8.284 189 HB3 CYS 28 HB3 CYS 28 -3.867 14.352 -9.035 190 H VAL 29 H VAL 29 -4.951 14.263 -12.673 191 HA VAL 29 HA VAL 29 -6.416 11.874 -11.662 192 HB VAL 29 HB VAL 29 -8.039 13.386 -12.821 193 HG11 VAL 29 HG11 VAL 29 -6.897 12.690 -15.474 194 HG12 VAL 29 HG12 VAL 29 -7.775 14.147 -14.944 195 HG13 VAL 29 HG13 VAL 29 -6.051 13.952 -14.549 196 HG21 VAL 29 HG21 VAL 29 -9.172 11.635 -13.797 197 HG22 VAL 29 HG22 VAL 29 -7.712 10.973 -14.570 198 HG23 VAL 29 HG23 VAL 29 -7.976 10.745 -12.824 199 H CYS 30 H CYS 30 -6.039 9.939 -12.816 200 HA CYS 30 HA CYS 30 -3.358 9.819 -13.940 201 HB2 CYS 30 HB2 CYS 30 -5.549 7.729 -13.636 202 HB3 CYS 30 HB3 CYS 30 -3.914 7.379 -14.235 203 H ARG 31 H ARG 31 -2.732 9.902 -15.991 204 HA ARG 31 HA ARG 31 -4.722 9.295 -18.109 205 HB2 ARG 31 HB2 ARG 31 -3.094 11.860 -17.963 206 HB3 ARG 31 HB3 ARG 31 -4.040 11.334 -19.370 207 HG2 ARG 31 HG2 ARG 31 -5.228 11.823 -16.631 208 HG3 ARG 31 HG3 ARG 31 -5.148 13.051 -17.920 209 HD2 ARG 31 HD2 ARG 31 -6.420 10.338 -18.328 210 HD3 ARG 31 HD3 ARG 31 -7.327 11.735 -17.699 211 HE ARG 31 HE ARG 31 -6.066 12.627 -20.031 212 HH11 ARG 31 HH11 ARG 31 -8.391 10.136 -19.107 213 HH12 ARG 31 HH12 ARG 31 -9.223 10.161 -20.664 214 HH21 ARG 31 HH21 ARG 31 -7.144 12.655 -22.040 215 HH22 ARG 31 HH22 ARG 31 -8.520 11.581 -22.318 216 H LYS 32 H LYS 32 -3.896 8.152 -19.743 217 HA LYS 32 HA LYS 32 -1.304 7.050 -19.595 218 HB2 LYS 32 HB2 LYS 32 -3.338 7.304 -21.811 219 HB3 LYS 32 HB3 LYS 32 -1.747 6.585 -22.132 220 HG2 LYS 32 HG2 LYS 32 -2.138 4.780 -20.689 221 HG3 LYS 32 HG3 LYS 32 -3.494 5.605 -19.880 222 HD2 LYS 32 HD2 LYS 32 -4.613 4.111 -21.245 223 HD3 LYS 32 HD3 LYS 32 -4.565 5.562 -22.276 224 HE2 LYS 32 HE2 LYS 32 -2.414 3.450 -22.411 225 HE3 LYS 32 HE3 LYS 32 -3.934 3.292 -23.325 226 HZ1 LYS 32 HZ1 LYS 32 -1.649 4.935 -23.860 227 HZ2 LYS 32 HZ2 LYS 32 -3.078 5.841 -23.845 228 HZ3 LYS 32 HZ3 LYS 32 -2.933 4.509 -24.878 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 3.784 -0.618 -0.168 2 H2 GLY 1 H2 GLY 1 2.170 -0.835 0.312 3 H3 GLY 1 H3 GLY 1 2.731 -1.545 -1.124 4 HA2 GLY 1 HA2 GLY 1 1.893 1.152 -0.570 5 HA3 GLY 1 HA3 GLY 1 3.327 0.971 -1.597 6 H TYR 2 H TYR 2 0.371 1.772 -1.998 7 HA TYR 2 HA TYR 2 -0.179 -0.164 -4.210 8 HB2 TYR 2 HB2 TYR 2 -2.540 0.845 -4.065 9 HB3 TYR 2 HB3 TYR 2 -2.027 -0.215 -2.733 10 HD1 TYR 2 HD1 TYR 2 -1.494 0.738 -0.533 11 HD2 TYR 2 HD2 TYR 2 -2.936 3.187 -3.698 12 HE1 TYR 2 HE1 TYR 2 -2.017 2.513 1.088 13 HE2 TYR 2 HE2 TYR 2 -3.461 4.970 -2.087 14 HH TYR 2 HH TYR 2 -3.408 5.628 0.023 15 H CYS 3 H CYS 3 -1.683 1.010 -5.934 16 HA CYS 3 HA CYS 3 -0.596 3.717 -6.500 17 HB2 CYS 3 HB2 CYS 3 -0.234 2.977 -8.913 18 HB3 CYS 3 HB3 CYS 3 0.939 2.364 -7.726 19 H ALA 4 H ALA 4 -1.795 4.898 -8.113 20 HA ALA 4 HA ALA 4 -4.653 4.209 -7.973 21 HB1 ALA 4 HB1 ALA 4 -4.638 6.482 -9.399 22 HB2 ALA 4 HB2 ALA 4 -4.509 6.450 -7.625 23 HB3 ALA 4 HB3 ALA 4 -3.044 6.626 -8.621 24 H GLU 5 H GLU 5 -6.057 4.257 -9.847 25 HA GLU 5 HA GLU 5 -4.639 3.177 -12.249 26 HB2 GLU 5 HB2 GLU 5 -7.351 2.602 -11.041 27 HB3 GLU 5 HB3 GLU 5 -7.010 2.234 -12.742 28 HG2 GLU 5 HG2 GLU 5 -5.239 0.727 -12.125 29 HG3 GLU 5 HG3 GLU 5 -5.384 1.192 -10.413 30 H LYS 6 H LYS 6 -6.209 3.382 -14.269 31 HA LYS 6 HA LYS 6 -6.197 6.105 -14.999 32 HB2 LYS 6 HB2 LYS 6 -6.317 4.054 -16.509 33 HB3 LYS 6 HB3 LYS 6 -8.058 4.012 -16.168 34 HG2 LYS 6 HG2 LYS 6 -8.311 6.251 -17.120 35 HG3 LYS 6 HG3 LYS 6 -6.561 6.313 -17.445 36 HD2 LYS 6 HD2 LYS 6 -7.370 5.639 -19.499 37 HD3 LYS 6 HD3 LYS 6 -7.032 4.068 -18.733 38 HE2 LYS 6 HE2 LYS 6 -9.151 3.660 -19.484 39 HE3 LYS 6 HE3 LYS 6 -9.541 4.363 -17.896 40 HZ1 LYS 6 HZ1 LYS 6 -10.179 6.358 -18.849 41 HZ2 LYS 6 HZ2 LYS 6 -10.756 5.232 -19.972 42 HZ3 LYS 6 HZ3 LYS 6 -9.330 6.086 -20.288 43 H GLY 7 H GLY 7 -7.413 7.778 -14.450 44 HA2 GLY 7 HA2 GLY 7 -9.500 8.893 -14.189 45 HA3 GLY 7 HA3 GLY 7 -10.306 7.326 -13.970 46 H ILE 8 H ILE 8 -8.008 6.634 -12.032 47 HA ILE 8 HA ILE 8 -9.455 7.504 -9.663 48 HB ILE 8 HB ILE 8 -6.798 6.049 -9.890 49 HG12 ILE 8 HG12 ILE 8 -8.623 4.808 -10.969 50 HG13 ILE 8 HG13 ILE 8 -8.140 4.015 -9.454 51 HG21 ILE 8 HG21 ILE 8 -8.160 7.184 -7.647 52 HG22 ILE 8 HG22 ILE 8 -8.226 5.411 -7.512 53 HG23 ILE 8 HG23 ILE 8 -6.656 6.231 -7.678 54 HD11 ILE 8 HD11 ILE 8 -10.076 5.193 -8.348 55 HD12 ILE 8 HD12 ILE 8 -10.602 5.681 -9.979 56 HD13 ILE 8 HD13 ILE 8 -10.505 3.956 -9.552 57 H LYS 9 H LYS 9 -9.328 9.625 -9.198 58 HA LYS 9 HA LYS 9 -7.117 11.311 -9.668 59 HB2 LYS 9 HB2 LYS 9 -9.433 11.396 -7.736 60 HB3 LYS 9 HB3 LYS 9 -8.165 12.635 -7.661 61 HG2 LYS 9 HG2 LYS 9 -8.800 13.606 -9.614 62 HG3 LYS 9 HG3 LYS 9 -9.354 12.072 -10.328 63 HD2 LYS 9 HD2 LYS 9 -11.270 12.158 -8.642 64 HD3 LYS 9 HD3 LYS 9 -10.779 13.842 -8.331 65 HE2 LYS 9 HE2 LYS 9 -12.508 13.939 -9.954 66 HE3 LYS 9 HE3 LYS 9 -10.984 14.232 -10.827 67 HZ1 LYS 9 HZ1 LYS 9 -11.370 11.502 -10.895 68 HZ2 LYS 9 HZ2 LYS 9 -11.586 12.588 -12.172 69 HZ3 LYS 9 HZ3 LYS 9 -12.900 12.158 -11.198 70 H CYS 10 H CYS 10 -5.222 11.686 -8.706 71 HA CYS 10 HA CYS 10 -4.758 10.327 -6.079 72 HB2 CYS 10 HB2 CYS 10 -2.329 10.209 -6.851 73 HB3 CYS 10 HB3 CYS 10 -3.469 9.141 -7.697 74 H HIS 11 H HIS 11 -3.834 11.464 -4.462 75 HA HIS 11 HA HIS 11 -3.500 14.367 -4.969 76 HB2 HIS 11 HB2 HIS 11 -3.855 12.676 -2.486 77 HB3 HIS 11 HB3 HIS 11 -3.283 14.355 -2.376 78 HD2 HIS 11 HD2 HIS 11 -6.152 13.372 -4.867 79 HE1 HIS 11 HE1 HIS 11 -7.777 15.782 -1.779 80 HE2 HIS 11 HE2 HIS 11 -8.255 14.646 -4.006 81 H ASN 12 H ASN 12 -1.755 11.655 -3.400 82 HA ASN 12 HA ASN 12 0.777 13.081 -4.075 83 HB2 ASN 12 HB2 ASN 12 0.006 13.251 -1.585 84 HB3 ASN 12 HB3 ASN 12 0.496 11.546 -1.487 85 HD21 ASN 12 HD21 ASN 12 1.640 14.760 -2.503 86 HD22 ASN 12 HD22 ASN 12 3.351 14.480 -2.026 87 H ILE 13 H ILE 13 -1.073 10.495 -4.657 88 HA ILE 13 HA ILE 13 1.184 8.548 -4.628 89 HB ILE 13 HB ILE 13 -1.043 7.901 -3.624 90 HG12 ILE 13 HG12 ILE 13 -0.426 6.140 -6.003 91 HG13 ILE 13 HG13 ILE 13 0.764 6.347 -4.698 92 HG21 ILE 13 HG21 ILE 13 -1.924 7.926 -6.528 93 HG22 ILE 13 HG22 ILE 13 -2.864 7.301 -5.151 94 HG23 ILE 13 HG23 ILE 13 -2.480 9.037 -5.254 95 HD11 ILE 13 HD11 ILE 13 -1.387 4.544 -4.808 96 HD12 ILE 13 HD12 ILE 13 -0.294 4.863 -3.439 97 HD13 ILE 13 HD13 ILE 13 -1.824 5.760 -3.585 98 H HIS 14 H HIS 14 1.568 7.210 -6.501 99 HA HIS 14 HA HIS 14 1.038 8.744 -9.007 100 HB2 HIS 14 HB2 HIS 14 2.987 7.537 -9.931 101 HB3 HIS 14 HB3 HIS 14 3.410 8.429 -8.454 102 HD2 HIS 14 HD2 HIS 14 3.846 6.754 -6.166 103 HE1 HIS 14 HE1 HIS 14 4.297 3.219 -8.469 104 HE2 HIS 14 HE2 HIS 14 4.616 4.263 -6.170 105 H CYS 15 H CYS 15 0.487 7.637 -10.943 106 HA CYS 15 HA CYS 15 -1.410 5.493 -10.474 107 HB2 CYS 15 HB2 CYS 15 -0.363 6.496 -13.144 108 HB3 CYS 15 HB3 CYS 15 -1.896 5.657 -12.829 109 H CYS 16 H CYS 16 -1.378 3.371 -11.248 110 HA CYS 16 HA CYS 16 1.076 2.001 -10.953 111 HB2 CYS 16 HB2 CYS 16 -1.364 1.063 -12.510 112 HB3 CYS 16 HB3 CYS 16 -0.105 0.038 -11.789 113 H SER 17 H SER 17 1.767 0.337 -12.782 114 HA SER 17 HA SER 17 3.176 1.841 -14.710 115 HB2 SER 17 HB2 SER 17 3.856 -0.248 -15.646 116 HB3 SER 17 HB3 SER 17 3.627 -0.546 -13.905 117 HG SER 17 HG SER 17 2.662 -2.182 -15.225 118 H GLY 18 H GLY 18 2.862 2.412 -16.809 119 HA2 GLY 18 HA2 GLY 18 1.716 2.249 -18.920 120 HA3 GLY 18 HA3 GLY 18 0.323 1.524 -18.096 121 H LEU 19 H LEU 19 0.412 3.557 -15.927 122 HA LEU 19 HA LEU 19 -0.805 5.778 -17.518 123 HB2 LEU 19 HB2 LEU 19 -1.361 4.944 -14.656 124 HB3 LEU 19 HB3 LEU 19 -2.185 6.237 -15.559 125 HG LEU 19 HG LEU 19 -2.278 3.450 -16.650 126 HD11 LEU 19 HD11 LEU 19 -4.436 3.222 -15.241 127 HD12 LEU 19 HD12 LEU 19 -3.680 4.427 -14.171 128 HD13 LEU 19 HD13 LEU 19 -2.870 2.871 -14.472 129 HD21 LEU 19 HD21 LEU 19 -4.479 4.192 -17.398 130 HD22 LEU 19 HD22 LEU 19 -3.222 5.348 -17.899 131 HD23 LEU 19 HD23 LEU 19 -4.279 5.727 -16.519 132 H THR 20 H THR 20 -0.739 7.941 -16.471 133 HA THR 20 HA THR 20 1.715 8.295 -14.811 134 HB THR 20 HB THR 20 1.010 9.927 -17.277 135 HG1 THR 20 HG1 THR 20 3.052 9.065 -18.017 136 HG21 THR 20 HG21 THR 20 2.493 10.627 -14.928 137 HG22 THR 20 HG22 THR 20 2.240 11.577 -16.411 138 HG23 THR 20 HG23 THR 20 3.629 10.469 -16.289 139 H CYS 21 H CYS 21 1.321 9.434 -13.046 140 HA CYS 21 HA CYS 21 -1.248 10.681 -12.630 141 HB2 CYS 21 HB2 CYS 21 0.326 9.623 -10.885 142 HB3 CYS 21 HB3 CYS 21 1.229 11.152 -10.948 143 H LYS 22 H LYS 22 -1.474 12.222 -14.285 144 HA LYS 22 HA LYS 22 0.430 14.499 -14.230 145 HB2 LYS 22 HB2 LYS 22 -1.913 13.906 -16.078 146 HB3 LYS 22 HB3 LYS 22 -0.776 15.257 -16.251 147 HG2 LYS 22 HG2 LYS 22 1.018 13.323 -16.261 148 HG3 LYS 22 HG3 LYS 22 -0.379 12.341 -16.769 149 HD2 LYS 22 HD2 LYS 22 0.080 14.957 -18.142 150 HD3 LYS 22 HD3 LYS 22 1.171 13.603 -18.526 151 HE2 LYS 22 HE2 LYS 22 -0.460 13.218 -20.082 152 HE3 LYS 22 HE3 LYS 22 -1.136 12.291 -18.720 153 HZ1 LYS 22 HZ1 LYS 22 -2.408 14.355 -18.145 154 HZ2 LYS 22 HZ2 LYS 22 -2.870 13.616 -19.595 155 HZ3 LYS 22 HZ3 LYS 22 -1.915 15.013 -19.624 156 H CYS 23 H CYS 23 -0.194 16.636 -13.869 157 HA CYS 23 HA CYS 23 -2.936 17.005 -12.759 158 HB2 CYS 23 HB2 CYS 23 -0.299 17.682 -11.428 159 HB3 CYS 23 HB3 CYS 23 -1.806 18.518 -10.997 160 H LYS 24 H LYS 24 -3.905 18.513 -13.913 161 HA LYS 24 HA LYS 24 -2.213 20.724 -15.006 162 HB2 LYS 24 HB2 LYS 24 -4.221 21.031 -16.581 163 HB3 LYS 24 HB3 LYS 24 -3.202 19.600 -16.832 164 HG2 LYS 24 HG2 LYS 24 -4.820 18.144 -16.096 165 HG3 LYS 24 HG3 LYS 24 -5.619 19.370 -15.082 166 HD2 LYS 24 HD2 LYS 24 -5.582 19.691 -18.070 167 HD3 LYS 24 HD3 LYS 24 -6.737 18.567 -17.314 168 HE2 LYS 24 HE2 LYS 24 -7.318 20.562 -15.768 169 HE3 LYS 24 HE3 LYS 24 -6.496 21.557 -16.993 170 HZ1 LYS 24 HZ1 LYS 24 -8.063 20.279 -18.606 171 HZ2 LYS 24 HZ2 LYS 24 -8.661 21.590 -17.720 172 HZ3 LYS 24 HZ3 LYS 24 -8.994 20.008 -17.220 173 H GLY 25 H GLY 25 -2.259 22.203 -13.366 174 HA2 GLY 25 HA2 GLY 25 -3.260 24.146 -12.473 175 HA3 GLY 25 HA3 GLY 25 -4.844 23.583 -13.033 176 H SER 26 H SER 26 -6.238 22.928 -11.550 177 HA SER 26 HA SER 26 -5.111 22.180 -8.881 178 HB2 SER 26 HB2 SER 26 -7.116 23.052 -7.867 179 HB3 SER 26 HB3 SER 26 -6.519 24.283 -9.006 180 HG SER 26 HG SER 26 -8.798 23.933 -9.185 181 H SER 27 H SER 27 -5.617 20.472 -11.290 182 HA SER 27 HA SER 27 -7.516 18.579 -9.960 183 HB2 SER 27 HB2 SER 27 -8.208 19.753 -12.226 184 HB3 SER 27 HB3 SER 27 -7.114 18.547 -12.947 185 HG SER 27 HG SER 27 -9.300 17.801 -12.814 186 H CYS 28 H CYS 28 -7.034 16.374 -10.071 187 HA CYS 28 HA CYS 28 -4.392 15.666 -11.237 188 HB2 CYS 28 HB2 CYS 28 -5.222 15.346 -8.340 189 HB3 CYS 28 HB3 CYS 28 -3.981 14.308 -9.076 190 H VAL 29 H VAL 29 -5.015 14.231 -12.726 191 HA VAL 29 HA VAL 29 -6.523 11.863 -11.735 192 HB VAL 29 HB VAL 29 -7.134 13.208 -14.386 193 HG11 VAL 29 HG11 VAL 29 -8.249 10.815 -12.919 194 HG12 VAL 29 HG12 VAL 29 -9.169 11.662 -14.186 195 HG13 VAL 29 HG13 VAL 29 -7.605 10.908 -14.575 196 HG21 VAL 29 HG21 VAL 29 -8.262 14.700 -13.135 197 HG22 VAL 29 HG22 VAL 29 -9.430 13.377 -12.900 198 HG23 VAL 29 HG23 VAL 29 -8.178 13.687 -11.674 199 H CYS 30 H CYS 30 -6.113 9.922 -12.830 200 HA CYS 30 HA CYS 30 -3.449 9.796 -13.985 201 HB2 CYS 30 HB2 CYS 30 -5.617 7.690 -13.641 202 HB3 CYS 30 HB3 CYS 30 -3.969 7.352 -14.212 203 H ARG 31 H ARG 31 -2.822 9.679 -16.051 204 HA ARG 31 HA ARG 31 -4.885 9.149 -18.123 205 HB2 ARG 31 HB2 ARG 31 -3.004 11.534 -18.246 206 HB3 ARG 31 HB3 ARG 31 -4.237 11.084 -19.441 207 HG2 ARG 31 HG2 ARG 31 -4.916 11.763 -16.577 208 HG3 ARG 31 HG3 ARG 31 -4.807 12.989 -17.865 209 HD2 ARG 31 HD2 ARG 31 -6.621 10.556 -17.868 210 HD3 ARG 31 HD3 ARG 31 -7.120 12.227 -17.512 211 HE ARG 31 HE ARG 31 -5.828 12.133 -20.060 212 HH11 ARG 31 HH11 ARG 31 -8.798 11.164 -18.417 213 HH12 ARG 31 HH12 ARG 31 -9.780 11.244 -19.882 214 HH21 ARG 31 HH21 ARG 31 -7.102 12.237 -21.949 215 HH22 ARG 31 HH22 ARG 31 -8.824 11.849 -21.875 216 H LYS 32 H LYS 32 -4.138 8.141 -19.937 217 HA LYS 32 HA LYS 32 -1.805 6.599 -19.772 218 HB2 LYS 32 HB2 LYS 32 -3.592 7.468 -22.027 219 HB3 LYS 32 HB3 LYS 32 -2.070 6.643 -22.418 220 HG2 LYS 32 HG2 LYS 32 -3.880 5.430 -20.368 221 HG3 LYS 32 HG3 LYS 32 -4.311 5.300 -22.091 222 HD2 LYS 32 HD2 LYS 32 -2.259 4.180 -22.602 223 HD3 LYS 32 HD3 LYS 32 -1.599 4.524 -20.984 224 HE2 LYS 32 HE2 LYS 32 -2.348 2.192 -21.181 225 HE3 LYS 32 HE3 LYS 32 -3.298 3.089 -19.970 226 HZ1 LYS 32 HZ1 LYS 32 -5.161 2.790 -21.133 227 HZ2 LYS 32 HZ2 LYS 32 -4.322 1.608 -22.003 228 HZ3 LYS 32 HZ3 LYS 32 -4.438 3.183 -22.612 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 3.980 -1.985 -3.984 2 H2 GLY 1 H2 GLY 1 2.815 -1.179 -4.921 3 H3 GLY 1 H3 GLY 1 3.356 -0.494 -3.463 4 HA2 GLY 1 HA2 GLY 1 2.017 -3.103 -3.598 5 HA3 GLY 1 HA3 GLY 1 2.322 -2.092 -2.173 6 H TYR 2 H TYR 2 1.630 0.373 -3.745 7 HA TYR 2 HA TYR 2 -1.261 -0.050 -4.223 8 HB2 TYR 2 HB2 TYR 2 -0.851 0.492 -1.747 9 HB3 TYR 2 HB3 TYR 2 -0.343 2.105 -2.297 10 HD1 TYR 2 HD2 TYR 2 -3.197 -0.261 -2.886 11 HD2 TYR 2 HD1 TYR 2 -1.948 3.746 -2.203 12 HE1 TYR 2 HE2 TYR 2 -5.546 0.467 -2.904 13 HE2 TYR 2 HE1 TYR 2 -4.293 4.488 -2.217 14 HH TYR 2 HH TYR 2 -6.957 2.159 -2.723 15 H CYS 3 H CYS 3 -1.954 1.099 -5.897 16 HA CYS 3 HA CYS 3 -0.728 3.710 -6.492 17 HB2 CYS 3 HB2 CYS 3 -0.347 2.989 -8.916 18 HB3 CYS 3 HB3 CYS 3 0.814 2.377 -7.719 19 H ALA 4 H ALA 4 -1.873 4.897 -8.166 20 HA ALA 4 HA ALA 4 -4.746 4.250 -8.055 21 HB1 ALA 4 HB1 ALA 4 -4.108 6.528 -7.588 22 HB2 ALA 4 HB2 ALA 4 -3.240 6.648 -9.137 23 HB3 ALA 4 HB3 ALA 4 -5.013 6.488 -9.122 24 H GLU 5 H GLU 5 -6.123 4.249 -9.925 25 HA GLU 5 HA GLU 5 -4.684 3.172 -12.312 26 HB2 GLU 5 HB2 GLU 5 -7.467 2.689 -11.214 27 HB3 GLU 5 HB3 GLU 5 -7.001 2.220 -12.861 28 HG2 GLU 5 HG2 GLU 5 -6.657 0.266 -11.697 29 HG3 GLU 5 HG3 GLU 5 -5.033 0.991 -11.675 30 H LYS 6 H LYS 6 -6.273 3.388 -14.343 31 HA LYS 6 HA LYS 6 -6.172 6.107 -15.098 32 HB2 LYS 6 HB2 LYS 6 -6.474 3.866 -16.478 33 HB3 LYS 6 HB3 LYS 6 -8.198 4.263 -16.339 34 HG2 LYS 6 HG2 LYS 6 -6.272 6.354 -17.297 35 HG3 LYS 6 HG3 LYS 6 -6.811 5.067 -18.405 36 HD2 LYS 6 HD2 LYS 6 -8.817 6.629 -16.795 37 HD3 LYS 6 HD3 LYS 6 -8.136 7.311 -18.292 38 HE2 LYS 6 HE2 LYS 6 -9.950 6.239 -19.174 39 HE3 LYS 6 HE3 LYS 6 -8.775 4.903 -19.232 40 HZ1 LYS 6 HZ1 LYS 6 -11.177 4.676 -18.135 41 HZ2 LYS 6 HZ2 LYS 6 -10.314 5.175 -16.768 42 HZ3 LYS 6 HZ3 LYS 6 -9.841 3.783 -17.606 43 H GLY 7 H GLY 7 -7.331 7.810 -14.526 44 HA2 GLY 7 HA2 GLY 7 -9.389 8.989 -14.289 45 HA3 GLY 7 HA3 GLY 7 -10.244 7.448 -14.086 46 H ILE 8 H ILE 8 -7.988 6.679 -12.128 47 HA ILE 8 HA ILE 8 -9.433 7.582 -9.769 48 HB ILE 8 HB ILE 8 -6.822 6.045 -9.983 49 HG12 ILE 8 HG12 ILE 8 -8.673 4.858 -11.064 50 HG13 ILE 8 HG13 ILE 8 -8.236 4.058 -9.538 51 HG21 ILE 8 HG21 ILE 8 -8.273 5.455 -7.608 52 HG22 ILE 8 HG22 ILE 8 -6.677 6.223 -7.772 53 HG23 ILE 8 HG23 ILE 8 -8.149 7.225 -7.742 54 HD11 ILE 8 HD11 ILE 8 -10.610 4.092 -9.693 55 HD12 ILE 8 HD12 ILE 8 -10.141 5.288 -8.459 56 HD13 ILE 8 HD13 ILE 8 -10.622 5.828 -10.085 57 H LYS 9 H LYS 9 -9.250 9.706 -9.319 58 HA LYS 9 HA LYS 9 -6.997 11.331 -9.755 59 HB2 LYS 9 HB2 LYS 9 -9.294 11.463 -7.798 60 HB3 LYS 9 HB3 LYS 9 -8.005 12.683 -7.764 61 HG2 LYS 9 HG2 LYS 9 -8.640 13.619 -9.748 62 HG3 LYS 9 HG3 LYS 9 -9.294 12.090 -10.387 63 HD2 LYS 9 HD2 LYS 9 -11.058 12.398 -8.454 64 HD3 LYS 9 HD3 LYS 9 -10.563 14.105 -8.559 65 HE2 LYS 9 HE2 LYS 9 -11.127 14.153 -10.926 66 HE3 LYS 9 HE3 LYS 9 -11.532 12.420 -10.888 67 HZ1 LYS 9 HZ1 LYS 9 -13.417 14.138 -10.711 68 HZ2 LYS 9 HZ2 LYS 9 -12.919 14.328 -9.106 69 HZ3 LYS 9 HZ3 LYS 9 -13.438 12.814 -9.657 70 H CYS 10 H CYS 10 -5.151 11.805 -8.689 71 HA CYS 10 HA CYS 10 -4.705 10.360 -6.108 72 HB2 CYS 10 HB2 CYS 10 -2.274 10.199 -6.862 73 HB3 CYS 10 HB3 CYS 10 -3.428 9.156 -7.721 74 H HIS 11 H HIS 11 -3.771 11.473 -4.477 75 HA HIS 11 HA HIS 11 -3.380 14.372 -4.970 76 HB2 HIS 11 HB2 HIS 11 -3.870 12.662 -2.537 77 HB3 HIS 11 HB3 HIS 11 -3.130 14.265 -2.344 78 HD2 HIS 11 HD2 HIS 11 -5.818 14.165 -5.088 79 HE1 HIS 11 HE1 HIS 11 -7.627 15.781 -1.608 80 HE2 HIS 11 HE2 HIS 11 -7.909 15.371 -4.104 81 H ASN 12 H ASN 12 -1.696 11.620 -3.402 82 HA ASN 12 HA ASN 12 0.868 13.000 -4.054 83 HB2 ASN 12 HB2 ASN 12 0.241 13.305 -1.622 84 HB3 ASN 12 HB3 ASN 12 0.347 11.541 -1.438 85 HD21 ASN 12 HD21 ASN 12 2.215 10.707 -0.867 86 HD22 ASN 12 HD22 ASN 12 3.801 11.547 -0.982 87 H ILE 13 H ILE 13 -1.027 10.453 -4.660 88 HA ILE 13 HA ILE 13 1.193 8.464 -4.625 89 HB ILE 13 HB ILE 13 -1.052 7.854 -3.638 90 HG12 ILE 13 HG12 ILE 13 -0.363 6.125 -6.034 91 HG13 ILE 13 HG13 ILE 13 0.706 6.245 -4.620 92 HG21 ILE 13 HG21 ILE 13 -2.874 7.297 -5.179 93 HG22 ILE 13 HG22 ILE 13 -2.458 9.024 -5.272 94 HG23 ILE 13 HG23 ILE 13 -1.914 7.907 -6.547 95 HD11 ILE 13 HD11 ILE 13 -1.875 4.851 -4.950 96 HD12 ILE 13 HD12 ILE 13 -0.472 4.459 -3.928 97 HD13 ILE 13 HD13 ILE 13 -1.641 5.691 -3.401 98 H HIS 14 H HIS 14 1.562 7.127 -6.502 99 HA HIS 14 HA HIS 14 1.083 8.682 -9.003 100 HB2 HIS 14 HB2 HIS 14 3.209 6.665 -8.213 101 HB3 HIS 14 HB3 HIS 14 2.975 7.205 -9.889 102 HD2 HIS 14 HD2 HIS 14 3.239 10.175 -10.077 103 HE1 HIS 14 HE1 HIS 14 6.030 10.209 -6.882 104 HE2 HIS 14 HE2 HIS 14 5.068 11.545 -8.823 105 H CYS 15 H CYS 15 0.554 7.579 -10.959 106 HA CYS 15 HA CYS 15 -1.415 5.490 -10.515 107 HB2 CYS 15 HB2 CYS 15 -0.310 6.474 -13.169 108 HB3 CYS 15 HB3 CYS 15 -1.867 5.670 -12.877 109 H CYS 16 H CYS 16 -1.422 3.367 -11.260 110 HA CYS 16 HA CYS 16 0.986 1.933 -10.947 111 HB2 CYS 16 HB2 CYS 16 -1.451 1.063 -12.547 112 HB3 CYS 16 HB3 CYS 16 -0.232 0.004 -11.808 113 H SER 17 H SER 17 1.761 0.306 -12.716 114 HA SER 17 HA SER 17 3.199 1.768 -14.634 115 HB2 SER 17 HB2 SER 17 3.547 -0.472 -15.760 116 HB3 SER 17 HB3 SER 17 3.902 -0.455 -14.016 117 HG SER 17 HG SER 17 2.645 -2.288 -14.653 118 H GLY 18 H GLY 18 2.920 2.381 -16.718 119 HA2 GLY 18 HA2 GLY 18 1.832 2.275 -18.854 120 HA3 GLY 18 HA3 GLY 18 0.434 1.490 -18.094 121 H LEU 19 H LEU 19 0.538 3.527 -15.861 122 HA LEU 19 HA LEU 19 -0.698 5.760 -17.424 123 HB2 LEU 19 HB2 LEU 19 -1.417 4.778 -14.646 124 HB3 LEU 19 HB3 LEU 19 -2.197 6.112 -15.527 125 HG LEU 19 HG LEU 19 -2.197 3.384 -16.764 126 HD11 LEU 19 HD11 LEU 19 -3.521 4.135 -14.219 127 HD12 LEU 19 HD12 LEU 19 -3.059 2.536 -14.852 128 HD13 LEU 19 HD13 LEU 19 -4.544 3.328 -15.433 129 HD21 LEU 19 HD21 LEU 19 -3.921 4.196 -17.995 130 HD22 LEU 19 HD22 LEU 19 -3.159 5.752 -17.588 131 HD23 LEU 19 HD23 LEU 19 -4.564 5.179 -16.656 132 H THR 20 H THR 20 -0.546 7.891 -16.541 133 HA THR 20 HA THR 20 1.735 8.192 -14.627 134 HB THR 20 HB THR 20 1.162 10.097 -16.919 135 HG1 THR 20 HG1 THR 20 2.997 9.061 -17.929 136 HG21 THR 20 HG21 THR 20 3.871 10.126 -16.118 137 HG22 THR 20 HG22 THR 20 2.911 10.123 -14.618 138 HG23 THR 20 HG23 THR 20 2.641 11.383 -15.845 139 H CYS 21 H CYS 21 1.520 9.658 -13.017 140 HA CYS 21 HA CYS 21 -1.169 10.675 -12.536 141 HB2 CYS 21 HB2 CYS 21 0.540 9.793 -10.803 142 HB3 CYS 21 HB3 CYS 21 1.304 11.391 -10.940 143 H LYS 22 H LYS 22 -1.533 12.127 -14.245 144 HA LYS 22 HA LYS 22 0.245 14.482 -14.421 145 HB2 LYS 22 HB2 LYS 22 -2.202 13.609 -15.996 146 HB3 LYS 22 HB3 LYS 22 -1.349 15.140 -16.277 147 HG2 LYS 22 HG2 LYS 22 0.724 13.842 -16.742 148 HG3 LYS 22 HG3 LYS 22 -0.232 12.345 -16.595 149 HD2 LYS 22 HD2 LYS 22 -1.775 13.442 -18.378 150 HD3 LYS 22 HD3 LYS 22 -0.383 14.508 -18.688 151 HE2 LYS 22 HE2 LYS 22 1.016 12.628 -19.228 152 HE3 LYS 22 HE3 LYS 22 -0.245 11.480 -18.717 153 HZ1 LYS 22 HZ1 LYS 22 -0.453 11.524 -21.007 154 HZ2 LYS 22 HZ2 LYS 22 -0.154 13.183 -21.132 155 HZ3 LYS 22 HZ3 LYS 22 -1.637 12.633 -20.532 156 H CYS 23 H CYS 23 -0.425 16.621 -14.103 157 HA CYS 23 HA CYS 23 -3.040 16.964 -12.724 158 HB2 CYS 23 HB2 CYS 23 -0.304 17.687 -11.648 159 HB3 CYS 23 HB3 CYS 23 -1.761 18.554 -11.120 160 H LYS 24 H LYS 24 -4.130 18.406 -13.860 161 HA LYS 24 HA LYS 24 -2.586 20.621 -15.141 162 HB2 LYS 24 HB2 LYS 24 -5.278 19.390 -15.828 163 HB3 LYS 24 HB3 LYS 24 -4.638 20.859 -16.592 164 HG2 LYS 24 HG2 LYS 24 -2.943 18.396 -16.591 165 HG3 LYS 24 HG3 LYS 24 -4.340 18.481 -17.695 166 HD2 LYS 24 HD2 LYS 24 -2.253 20.666 -17.509 167 HD3 LYS 24 HD3 LYS 24 -2.109 19.283 -18.623 168 HE2 LYS 24 HE2 LYS 24 -4.543 19.992 -19.327 169 HE3 LYS 24 HE3 LYS 24 -4.069 21.559 -18.627 170 HZ1 LYS 24 HZ1 LYS 24 -1.949 21.038 -20.148 171 HZ2 LYS 24 HZ2 LYS 24 -3.301 21.890 -20.706 172 HZ3 LYS 24 HZ3 LYS 24 -3.136 20.243 -21.055 173 H GLY 25 H GLY 25 -2.536 22.268 -13.718 174 HA2 GLY 25 HA2 GLY 25 -3.470 24.170 -12.721 175 HA3 GLY 25 HA3 GLY 25 -5.090 23.576 -13.134 176 H SER 26 H SER 26 -6.351 22.953 -11.524 177 HA SER 26 HA SER 26 -5.007 22.313 -8.929 178 HB2 SER 26 HB2 SER 26 -6.699 23.401 -7.790 179 HB3 SER 26 HB3 SER 26 -6.682 24.357 -9.291 180 HG SER 26 HG SER 26 -8.445 22.200 -8.624 181 H SER 27 H SER 27 -5.654 20.513 -11.240 182 HA SER 27 HA SER 27 -7.387 18.619 -9.702 183 HB2 SER 27 HB2 SER 27 -7.445 19.403 -12.600 184 HB3 SER 27 HB3 SER 27 -7.814 17.714 -12.179 185 HG SER 27 HG SER 27 -9.696 19.057 -12.216 186 H CYS 28 H CYS 28 -6.900 16.390 -9.889 187 HA CYS 28 HA CYS 28 -4.294 15.751 -11.168 188 HB2 CYS 28 HB2 CYS 28 -5.002 15.348 -8.247 189 HB3 CYS 28 HB3 CYS 28 -3.737 14.398 -9.055 190 H VAL 29 H VAL 29 -4.949 14.322 -12.648 191 HA VAL 29 HA VAL 29 -6.396 11.925 -11.622 192 HB VAL 29 HB VAL 29 -8.023 13.440 -12.774 193 HG11 VAL 29 HG11 VAL 29 -5.956 13.822 -14.584 194 HG12 VAL 29 HG12 VAL 29 -7.107 12.791 -15.469 195 HG13 VAL 29 HG13 VAL 29 -7.646 14.343 -14.784 196 HG21 VAL 29 HG21 VAL 29 -8.273 10.956 -12.679 197 HG22 VAL 29 HG22 VAL 29 -9.059 11.705 -14.089 198 HG23 VAL 29 HG23 VAL 29 -7.505 10.861 -14.281 199 H CYS 30 H CYS 30 -6.030 9.990 -12.781 200 HA CYS 30 HA CYS 30 -3.356 9.858 -13.910 201 HB2 CYS 30 HB2 CYS 30 -5.562 7.787 -13.610 202 HB3 CYS 30 HB3 CYS 30 -3.938 7.423 -14.230 203 H ARG 31 H ARG 31 -2.703 9.735 -15.976 204 HA ARG 31 HA ARG 31 -4.758 9.324 -18.079 205 HB2 ARG 31 HB2 ARG 31 -2.919 11.728 -17.861 206 HB3 ARG 31 HB3 ARG 31 -3.716 11.253 -19.373 207 HG2 ARG 31 HG2 ARG 31 -5.155 11.928 -16.796 208 HG3 ARG 31 HG3 ARG 31 -4.902 13.051 -18.156 209 HD2 ARG 31 HD2 ARG 31 -6.484 10.465 -18.161 210 HD3 ARG 31 HD3 ARG 31 -7.115 12.121 -18.330 211 HE ARG 31 HE ARG 31 -5.366 11.914 -20.430 212 HH11 ARG 31 HH11 ARG 31 -8.045 9.940 -19.254 213 HH12 ARG 31 HH12 ARG 31 -8.480 9.352 -20.862 214 HH21 ARG 31 HH21 ARG 31 -5.932 11.151 -22.504 215 HH22 ARG 31 HH22 ARG 31 -7.287 10.035 -22.695 216 H LYS 32 H LYS 32 -4.070 8.109 -19.730 217 HA LYS 32 HA LYS 32 -1.684 6.648 -19.582 218 HB2 LYS 32 HB2 LYS 32 -3.650 7.260 -21.760 219 HB3 LYS 32 HB3 LYS 32 -2.114 6.495 -22.216 220 HG2 LYS 32 HG2 LYS 32 -2.695 4.821 -20.292 221 HG3 LYS 32 HG3 LYS 32 -4.352 5.429 -20.528 222 HD2 LYS 32 HD2 LYS 32 -2.642 4.429 -22.814 223 HD3 LYS 32 HD3 LYS 32 -3.685 3.350 -21.852 224 HE2 LYS 32 HE2 LYS 32 -5.629 4.289 -22.656 225 HE3 LYS 32 HE3 LYS 32 -4.860 5.858 -22.991 226 HZ1 LYS 32 HZ1 LYS 32 -5.213 4.930 -25.079 227 HZ2 LYS 32 HZ2 LYS 32 -4.763 3.373 -24.598 228 HZ3 LYS 32 HZ3 LYS 32 -3.586 4.574 -24.782 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 5.176 -1.138 -4.202 2 H2 GLY 1 H2 GLY 1 4.161 -1.036 -5.559 3 H3 GLY 1 H3 GLY 1 4.235 0.252 -4.455 4 HA2 GLY 1 HA2 GLY 1 3.234 -2.459 -3.893 5 HA3 GLY 1 HA3 GLY 1 3.311 -1.113 -2.740 6 H TYR 2 H TYR 2 1.902 0.651 -2.945 7 HA TYR 2 HA TYR 2 -0.583 -0.076 -4.371 8 HB2 TYR 2 HB2 TYR 2 -0.364 0.785 -1.905 9 HB3 TYR 2 HB3 TYR 2 -0.240 2.388 -2.662 10 HD1 TYR 2 HD2 TYR 2 -2.386 -0.662 -3.100 11 HD2 TYR 2 HD1 TYR 2 -2.210 3.568 -2.680 12 HE1 TYR 2 HE2 TYR 2 -4.839 -0.551 -3.251 13 HE2 TYR 2 HE1 TYR 2 -4.662 3.690 -2.828 14 HH TYR 2 HH TYR 2 -6.630 0.746 -3.298 15 H CYS 3 H CYS 3 -1.745 1.425 -5.691 16 HA CYS 3 HA CYS 3 -0.515 3.874 -6.596 17 HB2 CYS 3 HB2 CYS 3 -0.195 3.068 -8.996 18 HB3 CYS 3 HB3 CYS 3 1.023 2.529 -7.820 19 H ALA 4 H ALA 4 -1.780 4.984 -8.206 20 HA ALA 4 HA ALA 4 -4.616 4.204 -8.001 21 HB1 ALA 4 HB1 ALA 4 -4.296 6.480 -7.574 22 HB2 ALA 4 HB2 ALA 4 -3.160 6.675 -8.931 23 HB3 ALA 4 HB3 ALA 4 -4.896 6.444 -9.249 24 H GLU 5 H GLU 5 -6.047 4.249 -9.871 25 HA GLU 5 HA GLU 5 -4.635 3.169 -12.276 26 HB2 GLU 5 HB2 GLU 5 -7.319 2.577 -11.026 27 HB3 GLU 5 HB3 GLU 5 -7.035 2.245 -12.746 28 HG2 GLU 5 HG2 GLU 5 -5.100 0.827 -12.113 29 HG3 GLU 5 HG3 GLU 5 -5.502 1.099 -10.401 30 H LYS 6 H LYS 6 -6.200 3.366 -14.294 31 HA LYS 6 HA LYS 6 -6.204 6.086 -15.033 32 HB2 LYS 6 HB2 LYS 6 -6.429 3.863 -16.435 33 HB3 LYS 6 HB3 LYS 6 -8.169 4.161 -16.260 34 HG2 LYS 6 HG2 LYS 6 -8.081 6.146 -17.484 35 HG3 LYS 6 HG3 LYS 6 -6.319 6.306 -17.277 36 HD2 LYS 6 HD2 LYS 6 -6.405 5.555 -19.446 37 HD3 LYS 6 HD3 LYS 6 -6.300 4.003 -18.581 38 HE2 LYS 6 HE2 LYS 6 -8.953 5.263 -19.283 39 HE3 LYS 6 HE3 LYS 6 -8.068 4.238 -20.437 40 HZ1 LYS 6 HZ1 LYS 6 -9.352 2.686 -19.404 41 HZ2 LYS 6 HZ2 LYS 6 -9.390 3.502 -17.923 42 HZ3 LYS 6 HZ3 LYS 6 -8.011 2.633 -18.373 43 H GLY 7 H GLY 7 -7.429 7.755 -14.494 44 HA2 GLY 7 HA2 GLY 7 -9.519 8.861 -14.232 45 HA3 GLY 7 HA3 GLY 7 -10.318 7.294 -14.009 46 H ILE 8 H ILE 8 -8.029 6.605 -12.068 47 HA ILE 8 HA ILE 8 -9.474 7.489 -9.702 48 HB ILE 8 HB ILE 8 -6.822 6.023 -9.918 49 HG12 ILE 8 HG12 ILE 8 -8.703 4.827 -11.010 50 HG13 ILE 8 HG13 ILE 8 -8.133 3.987 -9.551 51 HG21 ILE 8 HG21 ILE 8 -8.236 5.370 -7.549 52 HG22 ILE 8 HG22 ILE 8 -6.694 6.242 -7.708 53 HG23 ILE 8 HG23 ILE 8 -8.228 7.145 -7.680 54 HD11 ILE 8 HD11 ILE 8 -10.574 5.766 -9.712 55 HD12 ILE 8 HD12 ILE 8 -10.577 3.986 -9.731 56 HD13 ILE 8 HD13 ILE 8 -10.017 4.861 -8.285 57 H LYS 9 H LYS 9 -9.336 9.614 -9.251 58 HA LYS 9 HA LYS 9 -7.117 11.285 -9.723 59 HB2 LYS 9 HB2 LYS 9 -9.434 11.387 -7.792 60 HB3 LYS 9 HB3 LYS 9 -8.158 12.619 -7.718 61 HG2 LYS 9 HG2 LYS 9 -8.790 13.597 -9.668 62 HG3 LYS 9 HG3 LYS 9 -9.338 12.063 -10.389 63 HD2 LYS 9 HD2 LYS 9 -11.299 12.116 -8.828 64 HD3 LYS 9 HD3 LYS 9 -10.779 13.738 -8.311 65 HE2 LYS 9 HE2 LYS 9 -10.900 14.434 -10.735 66 HE3 LYS 9 HE3 LYS 9 -11.659 12.860 -11.074 67 HZ1 LYS 9 HZ1 LYS 9 -12.738 15.183 -9.647 68 HZ2 LYS 9 HZ2 LYS 9 -13.225 13.650 -9.126 69 HZ3 LYS 9 HZ3 LYS 9 -13.500 14.126 -10.726 70 H CYS 10 H CYS 10 -5.238 11.703 -8.732 71 HA CYS 10 HA CYS 10 -4.771 10.325 -6.116 72 HB2 CYS 10 HB2 CYS 10 -2.341 10.217 -6.880 73 HB3 CYS 10 HB3 CYS 10 -3.474 9.147 -7.733 74 H HIS 11 H HIS 11 -3.857 11.461 -4.493 75 HA HIS 11 HA HIS 11 -3.533 14.366 -4.990 76 HB2 HIS 11 HB2 HIS 11 -3.843 12.679 -2.494 77 HB3 HIS 11 HB3 HIS 11 -3.350 14.383 -2.415 78 HD2 HIS 11 HD2 HIS 11 -6.124 13.377 -4.967 79 HE1 HIS 11 HE1 HIS 11 -7.943 15.493 -1.773 80 HE2 HIS 11 HE2 HIS 11 -8.311 14.485 -4.080 81 H ASN 12 H ASN 12 -1.781 11.657 -3.424 82 HA ASN 12 HA ASN 12 0.749 13.092 -4.089 83 HB2 ASN 12 HB2 ASN 12 0.356 11.588 -1.484 84 HB3 ASN 12 HB3 ASN 12 1.692 12.669 -1.939 85 HD21 ASN 12 HD21 ASN 12 -1.425 12.379 -0.549 86 HD22 ASN 12 HD22 ASN 12 -1.686 14.128 -0.221 87 H ILE 13 H ILE 13 -1.089 10.505 -4.689 88 HA ILE 13 HA ILE 13 1.175 8.564 -4.657 89 HB ILE 13 HB ILE 13 -1.052 7.907 -3.658 90 HG12 ILE 13 HG12 ILE 13 -0.373 6.173 -6.048 91 HG13 ILE 13 HG13 ILE 13 0.749 6.348 -4.681 92 HG21 ILE 13 HG21 ILE 13 -2.868 7.304 -5.190 93 HG22 ILE 13 HG22 ILE 13 -2.491 9.040 -5.287 94 HG23 ILE 13 HG23 ILE 13 -1.926 7.933 -6.563 95 HD11 ILE 13 HD11 ILE 13 -0.332 4.668 -3.717 96 HD12 ILE 13 HD12 ILE 13 -1.714 5.771 -3.505 97 HD13 ILE 13 HD13 ILE 13 -1.625 4.716 -4.936 98 H HIS 14 H HIS 14 1.564 7.232 -6.532 99 HA HIS 14 HA HIS 14 1.039 8.772 -9.034 100 HB2 HIS 14 HB2 HIS 14 3.220 6.824 -8.228 101 HB3 HIS 14 HB3 HIS 14 2.957 7.305 -9.919 102 HD2 HIS 14 HD2 HIS 14 5.003 9.023 -10.378 103 HE1 HIS 14 HE1 HIS 14 4.568 11.413 -6.901 104 HE2 HIS 14 HE2 HIS 14 5.831 11.133 -9.092 105 H CYS 15 H CYS 15 0.520 7.657 -10.984 106 HA CYS 15 HA CYS 15 -1.408 5.536 -10.533 107 HB2 CYS 15 HB2 CYS 15 -0.297 6.533 -13.182 108 HB3 CYS 15 HB3 CYS 15 -1.828 5.672 -12.914 109 H CYS 16 H CYS 16 -1.380 3.405 -11.255 110 HA CYS 16 HA CYS 16 1.056 2.016 -10.920 111 HB2 CYS 16 HB2 CYS 16 -1.380 1.083 -12.486 112 HB3 CYS 16 HB3 CYS 16 -0.136 0.052 -11.748 113 H SER 17 H SER 17 1.744 0.317 -12.720 114 HA SER 17 HA SER 17 3.183 1.787 -14.658 115 HB2 SER 17 HB2 SER 17 3.445 -0.681 -13.754 116 HB3 SER 17 HB3 SER 17 2.436 -1.089 -15.164 117 HG SER 17 HG SER 17 4.699 -1.160 -15.635 118 H GLY 18 H GLY 18 2.855 2.393 -16.729 119 HA2 GLY 18 HA2 GLY 18 1.743 2.171 -18.863 120 HA3 GLY 18 HA3 GLY 18 0.346 1.451 -18.044 121 H LEU 19 H LEU 19 0.400 3.509 -15.900 122 HA LEU 19 HA LEU 19 -0.805 5.707 -17.530 123 HB2 LEU 19 HB2 LEU 19 -1.402 4.839 -14.686 124 HB3 LEU 19 HB3 LEU 19 -2.176 6.195 -15.541 125 HG LEU 19 HG LEU 19 -2.352 3.460 -16.747 126 HD11 LEU 19 HD11 LEU 19 -2.932 2.880 -14.531 127 HD12 LEU 19 HD12 LEU 19 -4.474 3.150 -15.377 128 HD13 LEU 19 HD13 LEU 19 -3.831 4.398 -14.284 129 HD21 LEU 19 HD21 LEU 19 -4.603 4.339 -17.362 130 HD22 LEU 19 HD22 LEU 19 -3.255 5.319 -17.987 131 HD23 LEU 19 HD23 LEU 19 -4.176 5.876 -16.568 132 H THR 20 H THR 20 -0.794 7.877 -16.443 133 HA THR 20 HA THR 20 1.657 8.256 -14.787 134 HB THR 20 HB THR 20 0.950 9.990 -17.182 135 HG1 THR 20 HG1 THR 20 2.869 9.015 -18.091 136 HG21 THR 20 HG21 THR 20 2.092 11.352 -15.643 137 HG22 THR 20 HG22 THR 20 3.373 10.765 -16.731 138 HG23 THR 20 HG23 THR 20 3.162 10.027 -15.124 139 H CYS 21 H CYS 21 1.338 9.513 -13.075 140 HA CYS 21 HA CYS 21 -1.279 10.691 -12.646 141 HB2 CYS 21 HB2 CYS 21 0.307 9.664 -10.893 142 HB3 CYS 21 HB3 CYS 21 1.198 11.200 -10.974 143 H LYS 22 H LYS 22 -1.523 12.215 -14.313 144 HA LYS 22 HA LYS 22 0.370 14.492 -14.329 145 HB2 LYS 22 HB2 LYS 22 -1.772 13.457 -16.143 146 HB3 LYS 22 HB3 LYS 22 -1.450 15.203 -16.169 147 HG2 LYS 22 HG2 LYS 22 0.925 14.740 -16.646 148 HG3 LYS 22 HG3 LYS 22 0.561 12.997 -16.676 149 HD2 LYS 22 HD2 LYS 22 -1.032 14.844 -18.419 150 HD3 LYS 22 HD3 LYS 22 0.629 14.419 -18.902 151 HE2 LYS 22 HE2 LYS 22 0.120 12.184 -19.190 152 HE3 LYS 22 HE3 LYS 22 -1.261 12.245 -18.069 153 HZ1 LYS 22 HZ1 LYS 22 -1.902 12.033 -20.433 154 HZ2 LYS 22 HZ2 LYS 22 -1.216 13.549 -20.744 155 HZ3 LYS 22 HZ3 LYS 22 -2.540 13.419 -19.698 156 H CYS 23 H CYS 23 -0.225 16.638 -13.958 157 HA CYS 23 HA CYS 23 -2.913 17.040 -12.735 158 HB2 CYS 23 HB2 CYS 23 -0.220 17.625 -11.486 159 HB3 CYS 23 HB3 CYS 23 -1.666 18.546 -11.021 160 H LYS 24 H LYS 24 -3.890 18.560 -13.870 161 HA LYS 24 HA LYS 24 -2.200 20.767 -14.972 162 HB2 LYS 24 HB2 LYS 24 -3.396 19.315 -16.632 163 HB3 LYS 24 HB3 LYS 24 -4.934 19.840 -15.920 164 HG2 LYS 24 HG2 LYS 24 -3.978 22.245 -16.426 165 HG3 LYS 24 HG3 LYS 24 -2.990 21.356 -17.611 166 HD2 LYS 24 HD2 LYS 24 -4.858 20.641 -18.820 167 HD3 LYS 24 HD3 LYS 24 -5.969 20.931 -17.457 168 HE2 LYS 24 HE2 LYS 24 -6.235 22.608 -19.242 169 HE3 LYS 24 HE3 LYS 24 -5.694 23.339 -17.713 170 HZ1 LYS 24 HZ1 LYS 24 -3.485 23.511 -18.555 171 HZ2 LYS 24 HZ2 LYS 24 -4.517 24.156 -19.731 172 HZ3 LYS 24 HZ3 LYS 24 -3.858 22.613 -19.940 173 H GLY 25 H GLY 25 -2.238 22.213 -13.290 174 HA2 GLY 25 HA2 GLY 25 -3.232 24.155 -12.382 175 HA3 GLY 25 HA3 GLY 25 -4.821 23.602 -12.948 176 H SER 26 H SER 26 -6.214 22.932 -11.470 177 HA SER 26 HA SER 26 -5.086 22.156 -8.809 178 HB2 SER 26 HB2 SER 26 -7.903 23.169 -9.317 179 HB3 SER 26 HB3 SER 26 -7.029 23.063 -7.769 180 HG SER 26 HG SER 26 -7.089 25.215 -8.615 181 H SER 27 H SER 27 -5.598 20.475 -11.243 182 HA SER 27 HA SER 27 -7.488 18.564 -9.928 183 HB2 SER 27 HB2 SER 27 -8.247 19.744 -12.139 184 HB3 SER 27 HB3 SER 27 -7.092 18.640 -12.923 185 HG SER 27 HG SER 27 -9.230 17.765 -12.818 186 H CYS 28 H CYS 28 -6.981 16.380 -10.007 187 HA CYS 28 HA CYS 28 -4.369 15.668 -11.238 188 HB2 CYS 28 HB2 CYS 28 -5.129 15.293 -8.323 189 HB3 CYS 28 HB3 CYS 28 -3.832 14.366 -9.107 190 H VAL 29 H VAL 29 -4.960 14.178 -12.672 191 HA VAL 29 HA VAL 29 -6.436 11.819 -11.629 192 HB VAL 29 HB VAL 29 -8.102 13.330 -12.731 193 HG11 VAL 29 HG11 VAL 29 -7.198 12.663 -15.446 194 HG12 VAL 29 HG12 VAL 29 -7.831 14.192 -14.787 195 HG13 VAL 29 HG13 VAL 29 -6.113 13.774 -14.578 196 HG21 VAL 29 HG21 VAL 29 -8.204 10.773 -12.659 197 HG22 VAL 29 HG22 VAL 29 -9.226 11.593 -13.864 198 HG23 VAL 29 HG23 VAL 29 -7.704 10.821 -14.369 199 H CYS 30 H CYS 30 -6.095 9.885 -12.796 200 HA CYS 30 HA CYS 30 -3.459 9.767 -14.014 201 HB2 CYS 30 HB2 CYS 30 -5.637 7.678 -13.638 202 HB3 CYS 30 HB3 CYS 30 -4.022 7.328 -14.293 203 H ARG 31 H ARG 31 -2.888 9.755 -16.092 204 HA ARG 31 HA ARG 31 -4.981 9.226 -18.131 205 HB2 ARG 31 HB2 ARG 31 -3.286 11.740 -17.969 206 HB3 ARG 31 HB3 ARG 31 -4.133 11.227 -19.442 207 HG2 ARG 31 HG2 ARG 31 -5.462 11.812 -16.785 208 HG3 ARG 31 HG3 ARG 31 -5.362 12.941 -18.158 209 HD2 ARG 31 HD2 ARG 31 -6.742 10.240 -18.113 210 HD3 ARG 31 HD3 ARG 31 -7.525 11.839 -18.150 211 HE ARG 31 HE ARG 31 -5.906 11.833 -20.389 212 HH11 ARG 31 HH11 ARG 31 -8.445 9.740 -19.106 213 HH12 ARG 31 HH12 ARG 31 -8.995 9.224 -20.704 214 HH21 ARG 31 HH21 ARG 31 -6.621 11.162 -22.448 215 HH22 ARG 31 HH22 ARG 31 -7.966 10.026 -22.587 216 H LYS 32 H LYS 32 -4.269 8.028 -19.778 217 HA LYS 32 HA LYS 32 -1.773 6.759 -19.726 218 HB2 LYS 32 HB2 LYS 32 -4.061 6.636 -21.296 219 HB3 LYS 32 HB3 LYS 32 -2.809 7.138 -22.449 220 HG2 LYS 32 HG2 LYS 32 -1.447 5.173 -21.350 221 HG3 LYS 32 HG3 LYS 32 -3.069 4.598 -20.891 222 HD2 LYS 32 HD2 LYS 32 -3.677 4.165 -23.052 223 HD3 LYS 32 HD3 LYS 32 -2.671 5.478 -23.712 224 HE2 LYS 32 HE2 LYS 32 -0.686 4.178 -23.513 225 HE3 LYS 32 HE3 LYS 32 -1.512 2.948 -22.526 226 HZ1 LYS 32 HZ1 LYS 32 -2.922 3.131 -24.909 227 HZ2 LYS 32 HZ2 LYS 32 -1.925 1.863 -24.400 228 HZ3 LYS 32 HZ3 LYS 32 -1.288 3.113 -25.346 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 3.783 -0.300 -0.377 2 H2 GLY 1 H2 GLY 1 2.755 -1.342 -1.236 3 H3 GLY 1 H3 GLY 1 3.970 -0.483 -2.054 4 HA2 GLY 1 HA2 GLY 1 1.649 0.687 -0.671 5 HA3 GLY 1 HA3 GLY 1 2.918 1.583 -1.527 6 H TYR 2 H TYR 2 -0.166 0.753 -1.802 7 HA TYR 2 HA TYR 2 -0.298 -0.446 -4.414 8 HB2 TYR 2 HB2 TYR 2 -2.681 0.376 -4.363 9 HB3 TYR 2 HB3 TYR 2 -2.206 -0.593 -2.951 10 HD1 TYR 2 HD2 TYR 2 -2.666 2.919 -4.112 11 HD2 TYR 2 HD1 TYR 2 -2.458 0.271 -0.789 12 HE1 TYR 2 HE2 TYR 2 -3.408 4.733 -2.628 13 HE2 TYR 2 HE1 TYR 2 -3.201 2.078 0.705 14 HH TYR 2 HH TYR 2 -3.906 5.344 -0.563 15 H CYS 3 H CYS 3 -1.872 0.936 -6.033 16 HA CYS 3 HA CYS 3 -0.724 3.648 -6.363 17 HB2 CYS 3 HB2 CYS 3 -0.290 3.114 -8.818 18 HB3 CYS 3 HB3 CYS 3 0.843 2.395 -7.654 19 H ALA 4 H ALA 4 -1.811 4.881 -8.108 20 HA ALA 4 HA ALA 4 -4.699 4.310 -7.982 21 HB1 ALA 4 HB1 ALA 4 -4.670 6.559 -9.363 22 HB2 ALA 4 HB2 ALA 4 -4.366 6.553 -7.609 23 HB3 ALA 4 HB3 ALA 4 -3.002 6.655 -8.749 24 H GLU 5 H GLU 5 -6.086 4.282 -9.829 25 HA GLU 5 HA GLU 5 -4.683 3.181 -12.226 26 HB2 GLU 5 HB2 GLU 5 -7.411 2.672 -11.023 27 HB3 GLU 5 HB3 GLU 5 -7.065 2.272 -12.717 28 HG2 GLU 5 HG2 GLU 5 -5.244 0.800 -12.006 29 HG3 GLU 5 HG3 GLU 5 -5.572 1.210 -10.307 30 H LYS 6 H LYS 6 -6.282 3.385 -14.243 31 HA LYS 6 HA LYS 6 -6.206 6.101 -15.009 32 HB2 LYS 6 HB2 LYS 6 -6.445 3.926 -16.426 33 HB3 LYS 6 HB3 LYS 6 -8.188 4.148 -16.189 34 HG2 LYS 6 HG2 LYS 6 -6.573 6.457 -17.187 35 HG3 LYS 6 HG3 LYS 6 -6.947 5.121 -18.302 36 HD2 LYS 6 HD2 LYS 6 -9.046 6.548 -16.647 37 HD3 LYS 6 HD3 LYS 6 -8.592 7.047 -18.296 38 HE2 LYS 6 HE2 LYS 6 -9.028 4.476 -18.803 39 HE3 LYS 6 HE3 LYS 6 -10.054 4.612 -17.355 40 HZ1 LYS 6 HZ1 LYS 6 -11.084 5.076 -19.645 41 HZ2 LYS 6 HZ2 LYS 6 -10.292 6.569 -19.560 42 HZ3 LYS 6 HZ3 LYS 6 -11.431 6.148 -18.382 43 H GLY 7 H GLY 7 -7.381 7.802 -14.458 44 HA2 GLY 7 HA2 GLY 7 -9.434 8.971 -14.195 45 HA3 GLY 7 HA3 GLY 7 -10.284 7.427 -13.990 46 H ILE 8 H ILE 8 -8.010 6.669 -12.043 47 HA ILE 8 HA ILE 8 -9.452 7.554 -9.676 48 HB ILE 8 HB ILE 8 -6.806 6.073 -9.864 49 HG12 ILE 8 HG12 ILE 8 -8.631 4.892 -11.045 50 HG13 ILE 8 HG13 ILE 8 -8.142 4.031 -9.568 51 HG21 ILE 8 HG21 ILE 8 -8.328 7.120 -7.648 52 HG22 ILE 8 HG22 ILE 8 -8.257 5.343 -7.559 53 HG23 ILE 8 HG23 ILE 8 -6.753 6.291 -7.648 54 HD11 ILE 8 HD11 ILE 8 -10.271 5.859 -8.956 55 HD12 ILE 8 HD12 ILE 8 -10.726 4.834 -10.338 56 HD13 ILE 8 HD13 ILE 8 -10.217 4.088 -8.804 57 H LYS 9 H LYS 9 -9.290 9.685 -9.236 58 HA LYS 9 HA LYS 9 -7.043 11.323 -9.673 59 HB2 LYS 9 HB2 LYS 9 -9.375 11.446 -7.765 60 HB3 LYS 9 HB3 LYS 9 -8.082 12.657 -7.662 61 HG2 LYS 9 HG2 LYS 9 -8.671 13.662 -9.612 62 HG3 LYS 9 HG3 LYS 9 -9.241 12.145 -10.352 63 HD2 LYS 9 HD2 LYS 9 -11.304 12.236 -9.189 64 HD3 LYS 9 HD3 LYS 9 -10.711 13.495 -8.080 65 HE2 LYS 9 HE2 LYS 9 -12.034 14.711 -9.547 66 HE3 LYS 9 HE3 LYS 9 -10.411 14.906 -10.250 67 HZ1 LYS 9 HZ1 LYS 9 -11.961 14.381 -11.980 68 HZ2 LYS 9 HZ2 LYS 9 -12.533 13.021 -11.153 69 HZ3 LYS 9 HZ3 LYS 9 -10.954 13.039 -11.761 70 H CYS 10 H CYS 10 -5.160 11.694 -8.675 71 HA CYS 10 HA CYS 10 -4.734 10.302 -6.059 72 HB2 CYS 10 HB2 CYS 10 -2.301 10.158 -6.808 73 HB3 CYS 10 HB3 CYS 10 -3.447 9.110 -7.672 74 H HIS 11 H HIS 11 -3.813 11.417 -4.424 75 HA HIS 11 HA HIS 11 -3.437 14.318 -4.908 76 HB2 HIS 11 HB2 HIS 11 -4.038 12.597 -2.536 77 HB3 HIS 11 HB3 HIS 11 -3.139 14.101 -2.246 78 HD2 HIS 11 HD2 HIS 11 -5.860 14.293 -4.991 79 HE1 HIS 11 HE1 HIS 11 -7.408 16.133 -1.499 80 HE2 HIS 11 HE2 HIS 11 -7.791 15.722 -3.981 81 H ASN 12 H ASN 12 -1.742 11.573 -3.341 82 HA ASN 12 HA ASN 12 0.815 12.971 -3.983 83 HB2 ASN 12 HB2 ASN 12 1.718 12.134 -1.779 84 HB3 ASN 12 HB3 ASN 12 0.473 13.394 -1.633 85 HD21 ASN 12 HD21 ASN 12 -0.497 12.992 0.229 86 HD22 ASN 12 HD22 ASN 12 -1.229 11.412 0.679 87 H ILE 13 H ILE 13 -1.063 10.412 -4.596 88 HA ILE 13 HA ILE 13 1.168 8.435 -4.561 89 HB ILE 13 HB ILE 13 -1.077 7.811 -3.584 90 HG12 ILE 13 HG12 ILE 13 -0.471 6.053 -5.965 91 HG13 ILE 13 HG13 ILE 13 0.723 6.244 -4.664 92 HG21 ILE 13 HG21 ILE 13 -2.890 7.245 -5.133 93 HG22 ILE 13 HG22 ILE 13 -2.483 8.976 -5.221 94 HG23 ILE 13 HG23 ILE 13 -1.927 7.866 -6.497 95 HD11 ILE 13 HD11 ILE 13 -0.318 4.648 -3.538 96 HD12 ILE 13 HD12 ILE 13 -1.747 5.702 -3.412 97 HD13 ILE 13 HD13 ILE 13 -1.595 4.566 -4.773 98 H HIS 14 H HIS 14 1.549 7.105 -6.440 99 HA HIS 14 HA HIS 14 1.090 8.671 -8.937 100 HB2 HIS 14 HB2 HIS 14 3.187 6.627 -8.145 101 HB3 HIS 14 HB3 HIS 14 2.967 7.172 -9.822 102 HD2 HIS 14 HD2 HIS 14 4.022 9.662 -10.399 103 HE1 HIS 14 HE1 HIS 14 5.484 10.489 -6.504 104 HE2 HIS 14 HE2 HIS 14 5.468 11.257 -8.931 105 H CYS 15 H CYS 15 0.593 7.563 -10.913 106 HA CYS 15 HA CYS 15 -1.396 5.475 -10.471 107 HB2 CYS 15 HB2 CYS 15 -0.350 6.511 -13.129 108 HB3 CYS 15 HB3 CYS 15 -1.909 5.722 -12.807 109 H CYS 16 H CYS 16 -1.408 3.375 -11.299 110 HA CYS 16 HA CYS 16 1.015 1.946 -11.055 111 HB2 CYS 16 HB2 CYS 16 -1.449 1.113 -12.633 112 HB3 CYS 16 HB3 CYS 16 -0.207 0.035 -11.961 113 H SER 17 H SER 17 1.755 0.366 -12.888 114 HA SER 17 HA SER 17 3.171 1.883 -14.779 115 HB2 SER 17 HB2 SER 17 3.630 -0.257 -15.917 116 HB3 SER 17 HB3 SER 17 3.747 -0.437 -14.150 117 HG SER 17 HG SER 17 2.558 -2.152 -15.146 118 H GLY 18 H GLY 18 2.917 2.439 -16.911 119 HA2 GLY 18 HA2 GLY 18 1.777 2.446 -19.005 120 HA3 GLY 18 HA3 GLY 18 0.380 1.663 -18.243 121 H LEU 19 H LEU 19 0.509 3.627 -15.965 122 HA LEU 19 HA LEU 19 -0.653 5.947 -17.458 123 HB2 LEU 19 HB2 LEU 19 -1.487 4.974 -14.713 124 HB3 LEU 19 HB3 LEU 19 -2.276 6.214 -15.716 125 HG LEU 19 HG LEU 19 -2.087 3.386 -16.714 126 HD11 LEU 19 HD11 LEU 19 -4.121 4.446 -14.735 127 HD12 LEU 19 HD12 LEU 19 -2.957 3.127 -14.471 128 HD13 LEU 19 HD13 LEU 19 -4.274 2.926 -15.649 129 HD21 LEU 19 HD21 LEU 19 -3.596 5.868 -17.307 130 HD22 LEU 19 HD22 LEU 19 -4.517 4.348 -17.408 131 HD23 LEU 19 HD23 LEU 19 -3.048 4.565 -18.390 132 H THR 20 H THR 20 -0.421 8.028 -16.543 133 HA THR 20 HA THR 20 1.730 8.189 -14.469 134 HB THR 20 HB THR 20 1.421 10.115 -16.797 135 HG1 THR 20 HG1 THR 20 3.317 9.026 -17.619 136 HG21 THR 20 HG21 THR 20 2.588 11.303 -15.206 137 HG22 THR 20 HG22 THR 20 3.931 10.454 -16.009 138 HG23 THR 20 HG23 THR 20 3.284 9.842 -14.467 139 H CYS 21 H CYS 21 1.452 9.621 -12.845 140 HA CYS 21 HA CYS 21 -1.193 10.705 -12.456 141 HB2 CYS 21 HB2 CYS 21 0.598 9.936 -10.711 142 HB3 CYS 21 HB3 CYS 21 1.227 11.590 -10.881 143 H LYS 22 H LYS 22 -1.581 12.075 -14.227 144 HA LYS 22 HA LYS 22 0.172 14.416 -14.573 145 HB2 LYS 22 HB2 LYS 22 -2.383 13.515 -15.951 146 HB3 LYS 22 HB3 LYS 22 -1.526 15.016 -16.353 147 HG2 LYS 22 HG2 LYS 22 -0.009 12.437 -16.377 148 HG3 LYS 22 HG3 LYS 22 -1.123 12.804 -17.718 149 HD2 LYS 22 HD2 LYS 22 0.042 14.927 -18.112 150 HD3 LYS 22 HD3 LYS 22 1.144 14.578 -16.757 151 HE2 LYS 22 HE2 LYS 22 2.160 14.057 -18.942 152 HE3 LYS 22 HE3 LYS 22 1.992 12.612 -17.916 153 HZ1 LYS 22 HZ1 LYS 22 1.329 12.361 -20.321 154 HZ2 LYS 22 HZ2 LYS 22 -0.007 13.344 -19.988 155 HZ3 LYS 22 HZ3 LYS 22 0.174 11.863 -19.189 156 H CYS 23 H CYS 23 -0.411 16.563 -14.247 157 HA CYS 23 HA CYS 23 -2.957 17.021 -12.775 158 HB2 CYS 23 HB2 CYS 23 -0.158 17.677 -11.824 159 HB3 CYS 23 HB3 CYS 23 -1.567 18.600 -11.257 160 H LYS 24 H LYS 24 -4.044 18.477 -13.891 161 HA LYS 24 HA LYS 24 -2.477 20.649 -15.227 162 HB2 LYS 24 HB2 LYS 24 -3.638 19.292 -16.856 163 HB3 LYS 24 HB3 LYS 24 -5.152 19.396 -15.939 164 HG2 LYS 24 HG2 LYS 24 -5.215 21.832 -16.368 165 HG3 LYS 24 HG3 LYS 24 -3.742 21.669 -17.358 166 HD2 LYS 24 HD2 LYS 24 -4.847 20.410 -19.004 167 HD3 LYS 24 HD3 LYS 24 -6.212 20.028 -17.923 168 HE2 LYS 24 HE2 LYS 24 -6.816 21.698 -19.634 169 HE3 LYS 24 HE3 LYS 24 -6.941 22.352 -17.984 170 HZ1 LYS 24 HZ1 LYS 24 -5.400 23.879 -18.423 171 HZ2 LYS 24 HZ2 LYS 24 -5.589 23.492 -20.058 172 HZ3 LYS 24 HZ3 LYS 24 -4.352 22.771 -19.156 173 H GLY 25 H GLY 25 -2.421 22.167 -13.614 174 HA2 GLY 25 HA2 GLY 25 -3.371 24.124 -12.704 175 HA3 GLY 25 HA3 GLY 25 -4.986 23.550 -13.162 176 H SER 26 H SER 26 -6.292 22.929 -11.587 177 HA SER 26 HA SER 26 -5.020 22.262 -8.963 178 HB2 SER 26 HB2 SER 26 -7.871 23.226 -9.382 179 HB3 SER 26 HB3 SER 26 -6.941 23.167 -7.865 180 HG SER 26 HG SER 26 -7.049 25.295 -8.763 181 H SER 27 H SER 27 -5.622 20.479 -11.299 182 HA SER 27 HA SER 27 -7.410 18.592 -9.819 183 HB2 SER 27 HB2 SER 27 -7.388 19.399 -12.709 184 HB3 SER 27 HB3 SER 27 -7.772 17.706 -12.316 185 HG SER 27 HG SER 27 -9.651 19.054 -12.387 186 H CYS 28 H CYS 28 -6.938 16.363 -10.000 187 HA CYS 28 HA CYS 28 -4.304 15.707 -11.215 188 HB2 CYS 28 HB2 CYS 28 -5.066 15.456 -8.309 189 HB3 CYS 28 HB3 CYS 28 -3.947 14.280 -9.030 190 H VAL 29 H VAL 29 -4.932 14.287 -12.716 191 HA VAL 29 HA VAL 29 -6.440 11.906 -11.738 192 HB VAL 29 HB VAL 29 -6.972 13.231 -14.416 193 HG11 VAL 29 HG11 VAL 29 -9.102 11.672 -13.979 194 HG12 VAL 29 HG12 VAL 29 -7.624 11.075 -14.772 195 HG13 VAL 29 HG13 VAL 29 -7.898 10.753 -13.043 196 HG21 VAL 29 HG21 VAL 29 -8.149 13.677 -11.730 197 HG22 VAL 29 HG22 VAL 29 -8.056 14.760 -13.140 198 HG23 VAL 29 HG23 VAL 29 -9.304 13.492 -13.072 199 H CYS 30 H CYS 30 -6.018 9.958 -12.825 200 HA CYS 30 HA CYS 30 -3.319 9.809 -13.891 201 HB2 CYS 30 HB2 CYS 30 -5.515 7.722 -13.625 202 HB3 CYS 30 HB3 CYS 30 -3.850 7.372 -14.136 203 H ARG 31 H ARG 31 -2.706 10.100 -15.914 204 HA ARG 31 HA ARG 31 -4.604 9.336 -18.078 205 HB2 ARG 31 HB2 ARG 31 -3.069 11.959 -17.962 206 HB3 ARG 31 HB3 ARG 31 -4.054 11.393 -19.325 207 HG2 ARG 31 HG2 ARG 31 -5.143 11.889 -16.545 208 HG3 ARG 31 HG3 ARG 31 -5.160 13.091 -17.861 209 HD2 ARG 31 HD2 ARG 31 -6.530 10.387 -17.811 210 HD3 ARG 31 HD3 ARG 31 -7.302 11.991 -17.785 211 HE ARG 31 HE ARG 31 -5.759 11.926 -20.115 212 HH11 ARG 31 HH11 ARG 31 -8.433 10.103 -18.705 213 HH12 ARG 31 HH12 ARG 31 -9.125 9.671 -20.274 214 HH21 ARG 31 HH21 ARG 31 -6.657 11.365 -22.134 215 HH22 ARG 31 HH22 ARG 31 -8.123 10.382 -22.206 216 H LYS 32 H LYS 32 -3.673 8.578 -19.952 217 HA LYS 32 HA LYS 32 -1.212 7.259 -19.760 218 HB2 LYS 32 HB2 LYS 32 -3.236 7.464 -21.644 219 HB3 LYS 32 HB3 LYS 32 -1.838 8.152 -22.495 220 HG2 LYS 32 HG2 LYS 32 -0.632 5.991 -21.572 221 HG3 LYS 32 HG3 LYS 32 -2.300 5.371 -21.505 222 HD2 LYS 32 HD2 LYS 32 -2.595 5.552 -23.812 223 HD3 LYS 32 HD3 LYS 32 -1.268 6.727 -23.987 224 HE2 LYS 32 HE2 LYS 32 0.367 4.977 -23.494 225 HE3 LYS 32 HE3 LYS 32 -0.947 3.799 -23.259 226 HZ1 LYS 32 HZ1 LYS 32 0.068 3.636 -25.466 227 HZ2 LYS 32 HZ2 LYS 32 -0.365 5.236 -25.804 228 HZ3 LYS 32 HZ3 LYS 32 -1.565 4.065 -25.570 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 3.880 -2.758 -3.763 2 H2 GLY 1 H2 GLY 1 3.063 -1.735 -4.844 3 H3 GLY 1 H3 GLY 1 4.077 -1.074 -3.654 4 HA2 GLY 1 HA2 GLY 1 2.103 -2.758 -2.534 5 HA3 GLY 1 HA3 GLY 1 2.534 -1.082 -2.140 6 H TYR 2 H TYR 2 0.516 -0.231 -1.957 7 HA TYR 2 HA TYR 2 -1.529 -0.759 -3.956 8 HB2 TYR 2 HB2 TYR 2 -2.059 -0.246 -1.585 9 HB3 TYR 2 HB3 TYR 2 -1.407 1.391 -1.806 10 HD1 TYR 2 HD2 TYR 2 -4.127 -0.914 -2.807 11 HD2 TYR 2 HD1 TYR 2 -2.708 3.097 -2.827 12 HE1 TYR 2 HE2 TYR 2 -6.338 -0.142 -3.559 13 HE2 TYR 2 HE1 TYR 2 -4.916 3.881 -3.578 14 HH TYR 2 HH TYR 2 -7.518 1.588 -4.356 15 H CYS 3 H CYS 3 -2.268 0.511 -5.605 16 HA CYS 3 HA CYS 3 -0.944 3.121 -6.058 17 HB2 CYS 3 HB2 CYS 3 -0.533 2.431 -8.488 18 HB3 CYS 3 HB3 CYS 3 0.562 1.737 -7.272 19 H ALA 4 H ALA 4 -1.957 4.366 -7.808 20 HA ALA 4 HA ALA 4 -4.868 3.926 -7.739 21 HB1 ALA 4 HB1 ALA 4 -4.107 6.161 -7.314 22 HB2 ALA 4 HB2 ALA 4 -3.160 6.183 -8.821 23 HB3 ALA 4 HB3 ALA 4 -4.940 6.151 -8.886 24 H GLU 5 H GLU 5 -6.168 4.244 -9.736 25 HA GLU 5 HA GLU 5 -4.798 2.892 -12.027 26 HB2 GLU 5 HB2 GLU 5 -7.616 2.687 -10.949 27 HB3 GLU 5 HB3 GLU 5 -7.235 2.228 -12.619 28 HG2 GLU 5 HG2 GLU 5 -7.200 0.251 -11.298 29 HG3 GLU 5 HG3 GLU 5 -5.517 0.648 -11.718 30 H LYS 6 H LYS 6 -6.054 3.278 -14.157 31 HA LYS 6 HA LYS 6 -5.765 5.986 -14.859 32 HB2 LYS 6 HB2 LYS 6 -5.947 3.876 -16.347 33 HB3 LYS 6 HB3 LYS 6 -7.700 4.131 -16.264 34 HG2 LYS 6 HG2 LYS 6 -5.982 6.441 -17.050 35 HG3 LYS 6 HG3 LYS 6 -6.227 5.126 -18.226 36 HD2 LYS 6 HD2 LYS 6 -8.606 6.255 -16.792 37 HD3 LYS 6 HD3 LYS 6 -7.874 7.191 -18.119 38 HE2 LYS 6 HE2 LYS 6 -9.433 5.940 -19.267 39 HE3 LYS 6 HE3 LYS 6 -7.994 4.899 -19.398 40 HZ1 LYS 6 HZ1 LYS 6 -10.278 3.922 -18.648 41 HZ2 LYS 6 HZ2 LYS 6 -9.832 4.520 -17.130 42 HZ3 LYS 6 HZ3 LYS 6 -8.846 3.393 -17.917 43 H GLY 7 H GLY 7 -6.910 7.756 -14.481 44 HA2 GLY 7 HA2 GLY 7 -8.924 9.022 -14.430 45 HA3 GLY 7 HA3 GLY 7 -9.858 7.524 -14.268 46 H ILE 8 H ILE 8 -7.762 6.746 -12.115 47 HA ILE 8 HA ILE 8 -9.377 7.717 -9.899 48 HB ILE 8 HB ILE 8 -6.754 6.189 -9.819 49 HG12 ILE 8 HG12 ILE 8 -8.430 4.977 -11.138 50 HG13 ILE 8 HG13 ILE 8 -8.179 4.176 -9.570 51 HG21 ILE 8 HG21 ILE 8 -8.236 5.445 -7.631 52 HG22 ILE 8 HG22 ILE 8 -6.929 6.651 -7.629 53 HG23 ILE 8 HG23 ILE 8 -8.624 7.177 -7.777 54 HD11 ILE 8 HD11 ILE 8 -10.492 5.966 -10.342 55 HD12 ILE 8 HD12 ILE 8 -10.527 4.201 -10.114 56 HD13 ILE 8 HD13 ILE 8 -10.228 5.274 -8.725 57 H LYS 9 H LYS 9 -9.212 9.793 -9.334 58 HA LYS 9 HA LYS 9 -6.991 11.470 -9.700 59 HB2 LYS 9 HB2 LYS 9 -9.310 11.490 -7.768 60 HB3 LYS 9 HB3 LYS 9 -8.035 12.717 -7.640 61 HG2 LYS 9 HG2 LYS 9 -8.669 13.781 -9.541 62 HG3 LYS 9 HG3 LYS 9 -9.202 12.280 -10.337 63 HD2 LYS 9 HD2 LYS 9 -10.744 13.247 -7.964 64 HD3 LYS 9 HD3 LYS 9 -10.933 14.119 -9.507 65 HE2 LYS 9 HE2 LYS 9 -12.586 12.536 -9.717 66 HE3 LYS 9 HE3 LYS 9 -11.221 11.679 -10.472 67 HZ1 LYS 9 HZ1 LYS 9 -12.709 10.578 -8.608 68 HZ2 LYS 9 HZ2 LYS 9 -11.604 11.348 -7.585 69 HZ3 LYS 9 HZ3 LYS 9 -11.057 10.239 -8.740 70 H CYS 10 H CYS 10 -5.096 11.796 -8.723 71 HA CYS 10 HA CYS 10 -4.662 10.405 -6.108 72 HB2 CYS 10 HB2 CYS 10 -2.255 10.123 -6.904 73 HB3 CYS 10 HB3 CYS 10 -3.468 9.108 -7.713 74 H HIS 11 H HIS 11 -3.651 11.519 -4.526 75 HA HIS 11 HA HIS 11 -3.147 14.385 -5.102 76 HB2 HIS 11 HB2 HIS 11 -3.717 12.759 -2.641 77 HB3 HIS 11 HB3 HIS 11 -2.825 14.284 -2.460 78 HD2 HIS 11 HD2 HIS 11 -5.692 14.189 -5.091 79 HE1 HIS 11 HE1 HIS 11 -7.040 16.405 -1.734 80 HE2 HIS 11 HE2 HIS 11 -7.570 15.717 -4.127 81 H ASN 12 H ASN 12 -1.551 11.604 -3.492 82 HA ASN 12 HA ASN 12 1.056 12.857 -4.226 83 HB2 ASN 12 HB2 ASN 12 0.470 13.237 -1.785 84 HB3 ASN 12 HB3 ASN 12 0.541 11.475 -1.568 85 HD21 ASN 12 HD21 ASN 12 2.371 10.723 -0.830 86 HD22 ASN 12 HD22 ASN 12 3.984 11.481 -1.069 87 H ILE 13 H ILE 13 -0.958 10.376 -4.727 88 HA ILE 13 HA ILE 13 1.175 8.295 -4.684 89 HB ILE 13 HB ILE 13 -1.074 7.809 -3.642 90 HG12 ILE 13 HG12 ILE 13 -0.667 5.935 -5.966 91 HG13 ILE 13 HG13 ILE 13 0.637 6.142 -4.777 92 HG21 ILE 13 HG21 ILE 13 -2.947 7.291 -5.135 93 HG22 ILE 13 HG22 ILE 13 -2.460 8.995 -5.282 94 HG23 ILE 13 HG23 ILE 13 -1.986 7.824 -6.536 95 HD11 ILE 13 HD11 ILE 13 -1.792 5.751 -3.348 96 HD12 ILE 13 HD12 ILE 13 -1.682 4.506 -4.616 97 HD13 ILE 13 HD13 ILE 13 -0.363 4.696 -3.436 98 H HIS 14 H HIS 14 1.449 6.896 -6.530 99 HA HIS 14 HA HIS 14 0.850 8.351 -9.077 100 HB2 HIS 14 HB2 HIS 14 3.195 6.608 -8.259 101 HB3 HIS 14 HB3 HIS 14 2.858 7.023 -9.954 102 HD2 HIS 14 HD2 HIS 14 4.489 9.052 -10.637 103 HE1 HIS 14 HE1 HIS 14 4.414 11.191 -6.975 104 HE2 HIS 14 HE2 HIS 14 5.322 11.160 -9.353 105 H CYS 15 H CYS 15 -0.101 7.306 -10.749 106 HA CYS 15 HA CYS 15 -1.583 4.924 -10.163 107 HB2 CYS 15 HB2 CYS 15 -1.065 6.577 -12.626 108 HB3 CYS 15 HB3 CYS 15 -1.851 4.993 -12.792 109 H CYS 16 H CYS 16 -1.423 2.825 -10.997 110 HA CYS 16 HA CYS 16 1.121 1.659 -10.937 111 HB2 CYS 16 HB2 CYS 16 -1.303 0.638 -12.469 112 HB3 CYS 16 HB3 CYS 16 0.073 -0.333 -11.905 113 H SER 17 H SER 17 2.133 0.349 -12.751 114 HA SER 17 HA SER 17 3.200 2.083 -14.673 115 HB2 SER 17 HB2 SER 17 3.677 -0.182 -15.938 116 HB3 SER 17 HB3 SER 17 4.437 0.131 -14.358 117 HG SER 17 HG SER 17 3.484 -1.972 -14.490 118 H GLY 18 H GLY 18 2.830 2.547 -16.817 119 HA2 GLY 18 HA2 GLY 18 1.655 2.153 -18.902 120 HA3 GLY 18 HA3 GLY 18 0.326 1.414 -17.989 121 H LEU 19 H LEU 19 0.680 3.737 -15.987 122 HA LEU 19 HA LEU 19 -0.782 5.753 -17.649 123 HB2 LEU 19 HB2 LEU 19 -1.240 5.203 -14.708 124 HB3 LEU 19 HB3 LEU 19 -2.208 6.231 -15.789 125 HG LEU 19 HG LEU 19 -1.973 3.273 -16.299 126 HD11 LEU 19 HD11 LEU 19 -3.680 4.669 -14.243 127 HD12 LEU 19 HD12 LEU 19 -2.678 3.208 -14.066 128 HD13 LEU 19 HD13 LEU 19 -4.188 3.143 -15.009 129 HD21 LEU 19 HD21 LEU 19 -4.102 5.358 -16.864 130 HD22 LEU 19 HD22 LEU 19 -4.196 3.635 -17.297 131 HD23 LEU 19 HD23 LEU 19 -2.954 4.673 -18.039 132 H THR 20 H THR 20 -0.870 7.949 -16.480 133 HA THR 20 HA THR 20 1.701 8.465 -15.065 134 HB THR 20 HB THR 20 0.680 10.076 -17.433 135 HG1 THR 20 HG1 THR 20 2.676 9.325 -18.385 136 HG21 THR 20 HG21 THR 20 2.944 10.491 -15.476 137 HG22 THR 20 HG22 THR 20 1.685 11.639 -15.991 138 HG23 THR 20 HG23 THR 20 2.989 11.185 -17.115 139 H CYS 21 H CYS 21 1.411 9.607 -13.278 140 HA CYS 21 HA CYS 21 -1.214 10.754 -12.723 141 HB2 CYS 21 HB2 CYS 21 0.347 9.568 -11.058 142 HB3 CYS 21 HB3 CYS 21 1.286 11.076 -11.039 143 H LYS 22 H LYS 22 -1.438 12.403 -14.269 144 HA LYS 22 HA LYS 22 0.471 14.673 -14.011 145 HB2 LYS 22 HB2 LYS 22 -0.734 15.543 -16.047 146 HB3 LYS 22 HB3 LYS 22 0.110 14.000 -16.287 147 HG2 LYS 22 HG2 LYS 22 -1.993 12.788 -16.089 148 HG3 LYS 22 HG3 LYS 22 -2.859 14.312 -15.772 149 HD2 LYS 22 HD2 LYS 22 -3.171 13.714 -18.087 150 HD3 LYS 22 HD3 LYS 22 -2.103 15.136 -18.005 151 HE2 LYS 22 HE2 LYS 22 -0.143 13.621 -18.225 152 HE3 LYS 22 HE3 LYS 22 -1.263 12.252 -18.421 153 HZ1 LYS 22 HZ1 LYS 22 -1.514 12.750 -20.553 154 HZ2 LYS 22 HZ2 LYS 22 -0.300 13.918 -20.404 155 HZ3 LYS 22 HZ3 LYS 22 -1.923 14.357 -20.213 156 H CYS 23 H CYS 23 -0.222 16.791 -13.609 157 HA CYS 23 HA CYS 23 -3.004 17.004 -12.540 158 HB2 CYS 23 HB2 CYS 23 -0.403 17.889 -11.266 159 HB3 CYS 23 HB3 CYS 23 -1.957 18.626 -10.823 160 H LYS 24 H LYS 24 -4.088 18.401 -13.736 161 HA LYS 24 HA LYS 24 -2.578 20.686 -14.926 162 HB2 LYS 24 HB2 LYS 24 -5.270 19.493 -15.695 163 HB3 LYS 24 HB3 LYS 24 -4.480 20.861 -16.505 164 HG2 LYS 24 HG2 LYS 24 -2.758 19.502 -17.364 165 HG3 LYS 24 HG3 LYS 24 -3.164 18.156 -16.270 166 HD2 LYS 24 HD2 LYS 24 -4.042 17.485 -18.336 167 HD3 LYS 24 HD3 LYS 24 -5.451 18.143 -17.465 168 HE2 LYS 24 HE2 LYS 24 -5.432 20.137 -18.723 169 HE3 LYS 24 HE3 LYS 24 -3.782 19.842 -19.323 170 HZ1 LYS 24 HZ1 LYS 24 -4.768 17.828 -20.465 171 HZ2 LYS 24 HZ2 LYS 24 -5.209 19.334 -21.095 172 HZ3 LYS 24 HZ3 LYS 24 -6.294 18.476 -20.119 173 H GLY 25 H GLY 25 -2.856 22.653 -14.126 174 HA2 GLY 25 HA2 GLY 25 -3.811 24.419 -12.969 175 HA3 GLY 25 HA3 GLY 25 -5.389 23.731 -13.396 176 H SER 26 H SER 26 -6.657 23.108 -11.791 177 HA SER 26 HA SER 26 -5.343 22.606 -9.151 178 HB2 SER 26 HB2 SER 26 -7.500 23.310 -8.135 179 HB3 SER 26 HB3 SER 26 -6.780 24.594 -9.136 180 HG SER 26 HG SER 26 -9.044 24.324 -9.523 181 H SER 27 H SER 27 -5.875 20.707 -11.404 182 HA SER 27 HA SER 27 -7.592 18.816 -9.847 183 HB2 SER 27 HB2 SER 27 -7.569 19.467 -12.785 184 HB3 SER 27 HB3 SER 27 -7.951 17.805 -12.275 185 HG SER 27 HG SER 27 -9.831 19.140 -12.448 186 H CYS 28 H CYS 28 -7.034 16.597 -9.944 187 HA CYS 28 HA CYS 28 -4.348 16.021 -11.091 188 HB2 CYS 28 HB2 CYS 28 -5.222 15.666 -8.216 189 HB3 CYS 28 HB3 CYS 28 -3.938 14.659 -8.921 190 H VAL 29 H VAL 29 -4.868 14.570 -12.605 191 HA VAL 29 HA VAL 29 -6.186 12.084 -11.663 192 HB VAL 29 HB VAL 29 -7.966 13.526 -12.674 193 HG11 VAL 29 HG11 VAL 29 -7.768 14.514 -14.676 194 HG12 VAL 29 HG12 VAL 29 -6.027 14.165 -14.533 195 HG13 VAL 29 HG13 VAL 29 -7.090 13.052 -15.429 196 HG21 VAL 29 HG21 VAL 29 -8.988 11.771 -13.873 197 HG22 VAL 29 HG22 VAL 29 -7.426 11.127 -14.432 198 HG23 VAL 29 HG23 VAL 29 -7.894 10.967 -12.721 199 H CYS 30 H CYS 30 -5.738 10.233 -12.924 200 HA CYS 30 HA CYS 30 -3.152 10.443 -14.306 201 HB2 CYS 30 HB2 CYS 30 -4.927 8.087 -13.574 202 HB3 CYS 30 HB3 CYS 30 -3.381 7.925 -14.435 203 H ARG 31 H ARG 31 -2.721 9.982 -16.433 204 HA ARG 31 HA ARG 31 -5.036 9.343 -18.181 205 HB2 ARG 31 HB2 ARG 31 -3.207 11.747 -18.514 206 HB3 ARG 31 HB3 ARG 31 -4.287 11.138 -19.784 207 HG2 ARG 31 HG2 ARG 31 -5.173 12.114 -17.057 208 HG3 ARG 31 HG3 ARG 31 -5.221 13.066 -18.562 209 HD2 ARG 31 HD2 ARG 31 -6.699 10.470 -18.024 210 HD3 ARG 31 HD3 ARG 31 -7.413 12.101 -18.059 211 HE ARG 31 HE ARG 31 -6.739 10.414 -20.332 212 HH11 ARG 31 HH11 ARG 31 -7.151 13.730 -19.192 213 HH12 ARG 31 HH12 ARG 31 -7.517 14.366 -20.799 214 HH21 ARG 31 HH21 ARG 31 -7.212 11.242 -22.403 215 HH22 ARG 31 HH22 ARG 31 -7.552 12.963 -22.609 216 H LYS 32 H LYS 32 -4.547 7.855 -19.648 217 HA LYS 32 HA LYS 32 -2.069 6.544 -19.723 218 HB2 LYS 32 HB2 LYS 32 -4.320 6.752 -21.740 219 HB3 LYS 32 HB3 LYS 32 -2.884 5.753 -22.045 220 HG2 LYS 32 HG2 LYS 32 -3.348 4.472 -19.997 221 HG3 LYS 32 HG3 LYS 32 -4.804 5.461 -19.721 222 HD2 LYS 32 HD2 LYS 32 -5.699 3.609 -20.778 223 HD3 LYS 32 HD3 LYS 32 -5.427 4.706 -22.153 224 HE2 LYS 32 HE2 LYS 32 -4.532 2.729 -22.949 225 HE3 LYS 32 HE3 LYS 32 -3.094 3.526 -22.270 226 HZ1 LYS 32 HZ1 LYS 32 -4.077 2.142 -20.160 227 HZ2 LYS 32 HZ2 LYS 32 -2.825 1.618 -21.169 228 HZ3 LYS 32 HZ3 LYS 32 -4.409 1.095 -21.448 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 4.796 -1.431 -2.719 2 H2 GLY 1 H2 GLY 1 3.468 -2.273 -3.358 3 H3 GLY 1 H3 GLY 1 3.891 -0.753 -3.986 4 HA2 GLY 1 HA2 GLY 1 2.939 -1.298 -1.253 5 HA3 GLY 1 HA3 GLY 1 3.381 0.289 -1.910 6 H TYR 2 H TYR 2 2.056 1.304 -3.442 7 HA TYR 2 HA TYR 2 -0.423 -0.016 -4.271 8 HB2 TYR 2 HB2 TYR 2 -0.821 0.811 -1.884 9 HB3 TYR 2 HB3 TYR 2 -0.666 2.458 -2.530 10 HD1 TYR 2 HD2 TYR 2 -2.427 -0.652 -3.674 11 HD2 TYR 2 HD1 TYR 2 -2.713 3.485 -2.724 12 HE1 TYR 2 HE2 TYR 2 -4.805 -0.679 -4.301 13 HE2 TYR 2 HE1 TYR 2 -5.093 3.469 -3.347 14 HH TYR 2 HH TYR 2 -6.620 0.567 -4.718 15 H CYS 3 H CYS 3 -1.581 1.139 -5.862 16 HA CYS 3 HA CYS 3 -0.465 3.726 -6.742 17 HB2 CYS 3 HB2 CYS 3 -0.154 2.880 -9.085 18 HB3 CYS 3 HB3 CYS 3 1.000 2.204 -7.915 19 H ALA 4 H ALA 4 -1.806 4.867 -8.196 20 HA ALA 4 HA ALA 4 -4.628 4.065 -7.955 21 HB1 ALA 4 HB1 ALA 4 -4.791 6.277 -7.716 22 HB2 ALA 4 HB2 ALA 4 -3.145 6.538 -8.343 23 HB3 ALA 4 HB3 ALA 4 -4.517 6.401 -9.470 24 H GLU 5 H GLU 5 -6.104 4.235 -9.821 25 HA GLU 5 HA GLU 5 -4.764 3.109 -12.244 26 HB2 GLU 5 HB2 GLU 5 -7.524 2.705 -11.064 27 HB3 GLU 5 HB3 GLU 5 -7.142 2.258 -12.737 28 HG2 GLU 5 HG2 GLU 5 -5.656 0.581 -12.087 29 HG3 GLU 5 HG3 GLU 5 -5.477 1.246 -10.447 30 H LYS 6 H LYS 6 -6.331 3.411 -14.254 31 HA LYS 6 HA LYS 6 -6.195 6.152 -14.939 32 HB2 LYS 6 HB2 LYS 6 -6.237 4.463 -16.656 33 HB3 LYS 6 HB3 LYS 6 -7.818 3.870 -16.114 34 HG2 LYS 6 HG2 LYS 6 -8.818 6.043 -16.768 35 HG3 LYS 6 HG3 LYS 6 -7.232 6.546 -17.401 36 HD2 LYS 6 HD2 LYS 6 -8.209 5.746 -19.322 37 HD3 LYS 6 HD3 LYS 6 -7.412 4.267 -18.729 38 HE2 LYS 6 HE2 LYS 6 -9.605 3.726 -17.554 39 HE3 LYS 6 HE3 LYS 6 -10.327 5.045 -18.507 40 HZ1 LYS 6 HZ1 LYS 6 -10.335 3.797 -20.347 41 HZ2 LYS 6 HZ2 LYS 6 -10.137 2.474 -19.312 42 HZ3 LYS 6 HZ3 LYS 6 -8.791 3.163 -20.071 43 H GLY 7 H GLY 7 -7.396 7.853 -14.436 44 HA2 GLY 7 HA2 GLY 7 -9.461 9.009 -14.197 45 HA3 GLY 7 HA3 GLY 7 -10.300 7.460 -13.987 46 H ILE 8 H ILE 8 -8.055 6.710 -12.020 47 HA ILE 8 HA ILE 8 -9.507 7.626 -9.670 48 HB ILE 8 HB ILE 8 -6.859 6.144 -9.774 49 HG12 ILE 8 HG12 ILE 8 -8.580 4.956 -11.085 50 HG13 ILE 8 HG13 ILE 8 -8.194 4.081 -9.588 51 HG21 ILE 8 HG21 ILE 8 -6.945 6.322 -7.557 52 HG22 ILE 8 HG22 ILE 8 -8.529 7.128 -7.637 53 HG23 ILE 8 HG23 ILE 8 -8.435 5.351 -7.576 54 HD11 ILE 8 HD11 ILE 8 -10.594 4.083 -10.063 55 HD12 ILE 8 HD12 ILE 8 -10.224 4.939 -8.546 56 HD13 ILE 8 HD13 ILE 8 -10.602 5.860 -10.020 57 H LYS 9 H LYS 9 -9.317 9.722 -9.149 58 HA LYS 9 HA LYS 9 -7.065 11.357 -9.612 59 HB2 LYS 9 HB2 LYS 9 -9.368 11.480 -7.663 60 HB3 LYS 9 HB3 LYS 9 -8.071 12.690 -7.596 61 HG2 LYS 9 HG2 LYS 9 -8.719 13.698 -9.522 62 HG3 LYS 9 HG3 LYS 9 -9.272 12.176 -10.262 63 HD2 LYS 9 HD2 LYS 9 -10.782 13.251 -7.912 64 HD3 LYS 9 HD3 LYS 9 -10.983 14.053 -9.489 65 HE2 LYS 9 HE2 LYS 9 -12.645 12.476 -9.625 66 HE3 LYS 9 HE3 LYS 9 -11.292 11.564 -10.334 67 HZ1 LYS 9 HZ1 LYS 9 -12.808 10.631 -8.364 68 HZ2 LYS 9 HZ2 LYS 9 -11.604 11.377 -7.440 69 HZ3 LYS 9 HZ3 LYS 9 -11.188 10.185 -8.565 70 H CYS 10 H CYS 10 -5.170 11.702 -8.630 71 HA CYS 10 HA CYS 10 -4.729 10.280 -6.032 72 HB2 CYS 10 HB2 CYS 10 -2.301 10.136 -6.804 73 HB3 CYS 10 HB3 CYS 10 -3.458 9.104 -7.671 74 H HIS 11 H HIS 11 -3.788 11.371 -4.391 75 HA HIS 11 HA HIS 11 -3.406 14.278 -4.843 76 HB2 HIS 11 HB2 HIS 11 -3.781 12.547 -2.389 77 HB3 HIS 11 HB3 HIS 11 -3.199 14.221 -2.256 78 HD2 HIS 11 HD2 HIS 11 -5.683 14.385 -4.999 79 HE1 HIS 11 HE1 HIS 11 -7.976 14.849 -1.461 80 HE2 HIS 11 HE2 HIS 11 -7.984 15.087 -3.994 81 H ASN 12 H ASN 12 -1.709 11.506 -3.324 82 HA ASN 12 HA ASN 12 0.848 12.901 -3.969 83 HB2 ASN 12 HB2 ASN 12 0.407 11.371 -1.386 84 HB3 ASN 12 HB3 ASN 12 1.789 12.399 -1.827 85 HD21 ASN 12 HD21 ASN 12 -1.501 12.272 -0.698 86 HD22 ASN 12 HD22 ASN 12 -1.623 14.009 -0.249 87 H ILE 13 H ILE 13 -1.043 10.361 -4.604 88 HA ILE 13 HA ILE 13 1.179 8.373 -4.608 89 HB ILE 13 HB ILE 13 -1.059 7.745 -3.620 90 HG12 ILE 13 HG12 ILE 13 -0.442 6.031 -6.038 91 HG13 ILE 13 HG13 ILE 13 0.714 6.172 -4.696 92 HG21 ILE 13 HG21 ILE 13 -1.935 7.841 -6.523 93 HG22 ILE 13 HG22 ILE 13 -2.888 7.207 -5.161 94 HG23 ILE 13 HG23 ILE 13 -2.475 8.938 -5.229 95 HD11 ILE 13 HD11 ILE 13 -1.432 4.401 -4.913 96 HD12 ILE 13 HD12 ILE 13 -0.425 4.709 -3.478 97 HD13 ILE 13 HD13 ILE 13 -1.944 5.607 -3.711 98 H HIS 14 H HIS 14 1.547 7.068 -6.505 99 HA HIS 14 HA HIS 14 1.059 8.661 -8.981 100 HB2 HIS 14 HB2 HIS 14 2.984 7.479 -9.925 101 HB3 HIS 14 HB3 HIS 14 3.423 8.230 -8.375 102 HD2 HIS 14 HD2 HIS 14 3.739 6.352 -6.224 103 HE1 HIS 14 HE1 HIS 14 4.109 3.011 -8.810 104 HE2 HIS 14 HE2 HIS 14 4.413 3.843 -6.424 105 H CYS 15 H CYS 15 0.526 7.588 -10.955 106 HA CYS 15 HA CYS 15 -1.459 5.508 -10.538 107 HB2 CYS 15 HB2 CYS 15 -0.349 6.492 -13.190 108 HB3 CYS 15 HB3 CYS 15 -1.926 5.732 -12.885 109 H CYS 16 H CYS 16 -1.487 3.396 -11.332 110 HA CYS 16 HA CYS 16 0.909 1.938 -11.027 111 HB2 CYS 16 HB2 CYS 16 -1.555 1.130 -12.619 112 HB3 CYS 16 HB3 CYS 16 -0.327 0.033 -11.952 113 H SER 17 H SER 17 1.683 0.334 -12.810 114 HA SER 17 HA SER 17 3.143 1.798 -14.701 115 HB2 SER 17 HB2 SER 17 3.337 -0.473 -15.909 116 HB3 SER 17 HB3 SER 17 3.878 -0.405 -14.215 117 HG SER 17 HG SER 17 2.544 -2.244 -14.653 118 H GLY 18 H GLY 18 2.905 2.411 -16.800 119 HA2 GLY 18 HA2 GLY 18 1.807 2.348 -18.936 120 HA3 GLY 18 HA3 GLY 18 0.373 1.639 -18.168 121 H LEU 19 H LEU 19 0.455 3.612 -15.946 122 HA LEU 19 HA LEU 19 -0.564 5.950 -17.511 123 HB2 LEU 19 HB2 LEU 19 -1.470 5.024 -14.771 124 HB3 LEU 19 HB3 LEU 19 -2.175 6.330 -15.752 125 HG LEU 19 HG LEU 19 -2.149 3.532 -16.836 126 HD11 LEU 19 HD11 LEU 19 -4.199 4.597 -14.874 127 HD12 LEU 19 HD12 LEU 19 -2.991 3.338 -14.524 128 HD13 LEU 19 HD13 LEU 19 -4.258 3.042 -15.738 129 HD21 LEU 19 HD21 LEU 19 -4.490 5.316 -17.073 130 HD22 LEU 19 HD22 LEU 19 -3.659 4.334 -18.304 131 HD23 LEU 19 HD23 LEU 19 -2.997 5.918 -17.833 132 H THR 20 H THR 20 -0.500 8.041 -16.370 133 HA THR 20 HA THR 20 1.726 8.176 -14.386 134 HB THR 20 HB THR 20 1.449 10.099 -16.720 135 HG1 THR 20 HG1 THR 20 3.349 8.995 -17.514 136 HG21 THR 20 HG21 THR 20 3.694 10.833 -16.021 137 HG22 THR 20 HG22 THR 20 3.648 9.679 -14.666 138 HG23 THR 20 HG23 THR 20 2.505 11.043 -14.714 139 H CYS 21 H CYS 21 1.470 9.624 -12.768 140 HA CYS 21 HA CYS 21 -1.166 10.731 -12.379 141 HB2 CYS 21 HB2 CYS 21 0.636 9.958 -10.638 142 HB3 CYS 21 HB3 CYS 21 1.257 11.613 -10.808 143 H LYS 22 H LYS 22 -1.547 12.097 -14.154 144 HA LYS 22 HA LYS 22 0.223 14.428 -14.499 145 HB2 LYS 22 HB2 LYS 22 -2.367 13.652 -15.893 146 HB3 LYS 22 HB3 LYS 22 -1.321 15.010 -16.350 147 HG2 LYS 22 HG2 LYS 22 -0.582 12.073 -16.411 148 HG3 LYS 22 HG3 LYS 22 -0.955 13.106 -17.813 149 HD2 LYS 22 HD2 LYS 22 0.979 14.603 -16.861 150 HD3 LYS 22 HD3 LYS 22 1.458 13.108 -16.020 151 HE2 LYS 22 HE2 LYS 22 2.017 12.029 -17.963 152 HE3 LYS 22 HE3 LYS 22 0.837 12.939 -18.937 153 HZ1 LYS 22 HZ1 LYS 22 3.135 14.376 -17.792 154 HZ2 LYS 22 HZ2 LYS 22 2.280 14.675 -19.220 155 HZ3 LYS 22 HZ3 LYS 22 3.388 13.398 -19.149 156 H CYS 23 H CYS 23 -0.357 16.577 -14.185 157 HA CYS 23 HA CYS 23 -2.924 17.046 -12.751 158 HB2 CYS 23 HB2 CYS 23 -0.137 17.688 -11.759 159 HB3 CYS 23 HB3 CYS 23 -1.545 18.630 -11.223 160 H LYS 24 H LYS 24 -3.991 18.507 -13.880 161 HA LYS 24 HA LYS 24 -2.399 20.679 -15.186 162 HB2 LYS 24 HB2 LYS 24 -5.093 19.504 -15.974 163 HB3 LYS 24 HB3 LYS 24 -4.300 20.873 -16.780 164 HG2 LYS 24 HG2 LYS 24 -2.471 19.462 -17.486 165 HG3 LYS 24 HG3 LYS 24 -3.133 18.088 -16.568 166 HD2 LYS 24 HD2 LYS 24 -4.765 19.464 -18.697 167 HD3 LYS 24 HD3 LYS 24 -3.566 18.220 -19.124 168 HE2 LYS 24 HE2 LYS 24 -4.692 16.662 -17.539 169 HE3 LYS 24 HE3 LYS 24 -5.938 17.904 -17.261 170 HZ1 LYS 24 HZ1 LYS 24 -5.555 17.422 -20.045 171 HZ2 LYS 24 HZ2 LYS 24 -6.969 17.317 -19.123 172 HZ3 LYS 24 HZ3 LYS 24 -5.932 15.985 -19.236 173 H GLY 25 H GLY 25 -2.408 22.230 -13.618 174 HA2 GLY 25 HA2 GLY 25 -3.409 24.173 -12.735 175 HA3 GLY 25 HA3 GLY 25 -5.003 23.569 -13.221 176 H SER 26 H SER 26 -6.333 22.940 -11.669 177 HA SER 26 HA SER 26 -5.103 22.296 -9.019 178 HB2 SER 26 HB2 SER 26 -6.501 24.362 -9.068 179 HB3 SER 26 HB3 SER 26 -7.890 23.382 -9.600 180 HG SER 26 HG SER 26 -7.509 22.119 -7.606 181 H SER 27 H SER 27 -5.670 20.506 -11.357 182 HA SER 27 HA SER 27 -7.487 18.628 -9.900 183 HB2 SER 27 HB2 SER 27 -7.438 19.453 -12.778 184 HB3 SER 27 HB3 SER 27 -7.779 17.742 -12.421 185 HG SER 27 HG SER 27 -9.693 19.038 -12.497 186 H CYS 28 H CYS 28 -7.018 16.395 -10.070 187 HA CYS 28 HA CYS 28 -4.365 15.730 -11.235 188 HB2 CYS 28 HB2 CYS 28 -5.170 15.530 -8.343 189 HB3 CYS 28 HB3 CYS 28 -4.091 14.294 -9.023 190 H VAL 29 H VAL 29 -4.971 14.311 -12.745 191 HA VAL 29 HA VAL 29 -6.485 11.927 -11.791 192 HB VAL 29 HB VAL 29 -7.013 13.269 -14.461 193 HG11 VAL 29 HG11 VAL 29 -7.657 11.118 -14.845 194 HG12 VAL 29 HG12 VAL 29 -7.923 10.771 -13.119 195 HG13 VAL 29 HG13 VAL 29 -9.137 11.692 -14.039 196 HG21 VAL 29 HG21 VAL 29 -9.348 13.526 -13.155 197 HG22 VAL 29 HG22 VAL 29 -8.232 13.657 -11.774 198 HG23 VAL 29 HG23 VAL 29 -8.088 14.783 -13.145 199 H CYS 30 H CYS 30 -6.046 9.987 -12.880 200 HA CYS 30 HA CYS 30 -3.345 9.858 -13.945 201 HB2 CYS 30 HB2 CYS 30 -5.537 7.771 -13.646 202 HB3 CYS 30 HB3 CYS 30 -3.895 7.410 -14.220 203 H ARG 31 H ARG 31 -2.719 10.104 -15.971 204 HA ARG 31 HA ARG 31 -4.638 9.381 -18.132 205 HB2 ARG 31 HB2 ARG 31 -2.975 11.922 -18.156 206 HB3 ARG 31 HB3 ARG 31 -4.171 11.408 -19.363 207 HG2 ARG 31 HG2 ARG 31 -4.842 12.018 -16.476 208 HG3 ARG 31 HG3 ARG 31 -4.941 13.207 -17.800 209 HD2 ARG 31 HD2 ARG 31 -6.375 10.543 -17.870 210 HD3 ARG 31 HD3 ARG 31 -7.100 12.011 -17.169 211 HE ARG 31 HE ARG 31 -6.222 12.745 -19.717 212 HH11 ARG 31 HH11 ARG 31 -8.436 10.382 -18.309 213 HH12 ARG 31 HH12 ARG 31 -9.513 10.376 -19.711 214 HH21 ARG 31 HH21 ARG 31 -7.615 12.732 -21.521 215 HH22 ARG 31 HH22 ARG 31 -9.048 11.699 -21.523 216 H LYS 32 H LYS 32 -3.743 8.501 -19.945 217 HA LYS 32 HA LYS 32 -1.279 7.181 -19.741 218 HB2 LYS 32 HB2 LYS 32 -3.343 7.218 -21.549 219 HB3 LYS 32 HB3 LYS 32 -2.043 7.974 -22.492 220 HG2 LYS 32 HG2 LYS 32 -0.659 5.908 -21.561 221 HG3 LYS 32 HG3 LYS 32 -2.285 5.192 -21.445 222 HD2 LYS 32 HD2 LYS 32 -1.517 4.590 -23.586 223 HD3 LYS 32 HD3 LYS 32 -2.607 5.969 -23.868 224 HE2 LYS 32 HE2 LYS 32 -0.793 7.464 -24.189 225 HE3 LYS 32 HE3 LYS 32 0.381 6.293 -23.542 226 HZ1 LYS 32 HZ1 LYS 32 -0.923 5.093 -25.704 227 HZ2 LYS 32 HZ2 LYS 32 0.696 5.565 -25.596 228 HZ3 LYS 32 HZ3 LYS 32 -0.460 6.640 -26.205 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 4.215 -0.502 -0.947 2 H2 GLY 1 H2 GLY 1 3.578 -1.632 -2.043 3 H3 GLY 1 H3 GLY 1 3.759 -0.009 -2.506 4 HA2 GLY 1 HA2 GLY 1 1.970 -1.021 -0.397 5 HA3 GLY 1 HA3 GLY 1 2.159 0.673 -0.884 6 H TYR 2 H TYR 2 1.081 1.460 -2.620 7 HA TYR 2 HA TYR 2 -0.185 -0.416 -4.501 8 HB2 TYR 2 HB2 TYR 2 -2.456 0.698 -4.101 9 HB3 TYR 2 HB3 TYR 2 -1.910 -0.464 -2.872 10 HD1 TYR 2 HD1 TYR 2 -1.081 0.360 -0.686 11 HD2 TYR 2 HD2 TYR 2 -2.763 3.004 -3.562 12 HE1 TYR 2 HE1 TYR 2 -1.378 2.063 1.062 13 HE2 TYR 2 HE2 TYR 2 -3.064 4.716 -1.822 14 HH TYR 2 HH TYR 2 -2.809 5.249 0.310 15 H CYS 3 H CYS 3 -1.769 1.020 -5.970 16 HA CYS 3 HA CYS 3 -0.642 3.714 -6.387 17 HB2 CYS 3 HB2 CYS 3 -0.260 3.161 -8.855 18 HB3 CYS 3 HB3 CYS 3 0.930 2.510 -7.706 19 H ALA 4 H ALA 4 -1.780 4.876 -8.179 20 HA ALA 4 HA ALA 4 -4.656 4.235 -7.978 21 HB1 ALA 4 HB1 ALA 4 -4.823 6.476 -9.247 22 HB2 ALA 4 HB2 ALA 4 -4.239 6.499 -7.565 23 HB3 ALA 4 HB3 ALA 4 -3.082 6.631 -8.911 24 H GLU 5 H GLU 5 -6.067 4.217 -9.823 25 HA GLU 5 HA GLU 5 -4.676 3.098 -12.217 26 HB2 GLU 5 HB2 GLU 5 -7.456 2.678 -11.082 27 HB3 GLU 5 HB3 GLU 5 -7.014 2.175 -12.725 28 HG2 GLU 5 HG2 GLU 5 -5.251 0.735 -11.810 29 HG3 GLU 5 HG3 GLU 5 -5.707 1.232 -10.164 30 H LYS 6 H LYS 6 -6.299 3.311 -14.229 31 HA LYS 6 HA LYS 6 -6.169 6.034 -15.003 32 HB2 LYS 6 HB2 LYS 6 -6.316 3.981 -16.497 33 HB3 LYS 6 HB3 LYS 6 -8.058 3.958 -16.163 34 HG2 LYS 6 HG2 LYS 6 -8.231 6.246 -17.100 35 HG3 LYS 6 HG3 LYS 6 -6.500 6.177 -17.512 36 HD2 LYS 6 HD2 LYS 6 -7.660 5.594 -19.494 37 HD3 LYS 6 HD3 LYS 6 -7.043 4.063 -18.825 38 HE2 LYS 6 HE2 LYS 6 -9.205 3.459 -19.313 39 HE3 LYS 6 HE3 LYS 6 -9.399 4.016 -17.634 40 HZ1 LYS 6 HZ1 LYS 6 -10.978 5.333 -18.457 41 HZ2 LYS 6 HZ2 LYS 6 -10.491 5.104 -20.060 42 HZ3 LYS 6 HZ3 LYS 6 -9.735 6.280 -19.106 43 H GLY 7 H GLY 7 -7.352 7.740 -14.487 44 HA2 GLY 7 HA2 GLY 7 -9.408 8.912 -14.256 45 HA3 GLY 7 HA3 GLY 7 -10.260 7.371 -14.045 46 H ILE 8 H ILE 8 -8.011 6.626 -12.068 47 HA ILE 8 HA ILE 8 -9.472 7.542 -9.725 48 HB ILE 8 HB ILE 8 -6.847 6.023 -9.902 49 HG12 ILE 8 HG12 ILE 8 -8.670 4.816 -11.010 50 HG13 ILE 8 HG13 ILE 8 -8.249 4.024 -9.476 51 HG21 ILE 8 HG21 ILE 8 -8.376 5.457 -7.549 52 HG22 ILE 8 HG22 ILE 8 -6.746 6.156 -7.684 53 HG23 ILE 8 HG23 ILE 8 -8.175 7.219 -7.691 54 HD11 ILE 8 HD11 ILE 8 -10.592 5.890 -9.906 55 HD12 ILE 8 HD12 ILE 8 -10.669 4.111 -9.845 56 HD13 ILE 8 HD13 ILE 8 -10.183 5.032 -8.401 57 H LYS 9 H LYS 9 -9.301 9.658 -9.253 58 HA LYS 9 HA LYS 9 -7.054 11.296 -9.703 59 HB2 LYS 9 HB2 LYS 9 -9.379 11.421 -7.786 60 HB3 LYS 9 HB3 LYS 9 -8.084 12.632 -7.693 61 HG2 LYS 9 HG2 LYS 9 -8.673 13.621 -9.659 62 HG3 LYS 9 HG3 LYS 9 -9.280 12.106 -10.369 63 HD2 LYS 9 HD2 LYS 9 -11.249 12.226 -8.866 64 HD3 LYS 9 HD3 LYS 9 -10.648 13.782 -8.240 65 HE2 LYS 9 HE2 LYS 9 -10.784 14.739 -10.500 66 HE3 LYS 9 HE3 LYS 9 -11.386 13.184 -11.122 67 HZ1 LYS 9 HZ1 LYS 9 -12.768 14.717 -8.982 68 HZ2 LYS 9 HZ2 LYS 9 -13.367 13.409 -9.873 69 HZ3 LYS 9 HZ3 LYS 9 -13.123 14.904 -10.626 70 H CYS 10 H CYS 10 -5.177 11.688 -8.696 71 HA CYS 10 HA CYS 10 -4.741 10.278 -6.092 72 HB2 CYS 10 HB2 CYS 10 -2.305 10.156 -6.842 73 HB3 CYS 10 HB3 CYS 10 -3.444 9.106 -7.712 74 H HIS 11 H HIS 11 -3.827 11.387 -4.448 75 HA HIS 11 HA HIS 11 -3.470 14.295 -4.913 76 HB2 HIS 11 HB2 HIS 11 -3.760 12.600 -2.411 77 HB3 HIS 11 HB3 HIS 11 -3.346 14.328 -2.359 78 HD2 HIS 11 HD2 HIS 11 -5.776 14.317 -5.086 79 HE1 HIS 11 HE1 HIS 11 -8.199 14.374 -1.605 80 HE2 HIS 11 HE2 HIS 11 -8.162 14.734 -4.125 81 H ASN 12 H ASN 12 -1.757 11.550 -3.363 82 HA ASN 12 HA ASN 12 0.791 12.967 -3.994 83 HB2 ASN 12 HB2 ASN 12 -0.082 13.019 -1.482 84 HB3 ASN 12 HB3 ASN 12 0.591 11.373 -1.454 85 HD21 ASN 12 HD21 ASN 12 1.925 12.455 0.231 86 HD22 ASN 12 HD22 ASN 12 3.439 13.248 -0.325 87 H ILE 13 H ILE 13 -1.069 10.403 -4.632 88 HA ILE 13 HA ILE 13 1.174 8.440 -4.606 89 HB ILE 13 HB ILE 13 -1.067 7.795 -3.634 90 HG12 ILE 13 HG12 ILE 13 -0.399 6.078 -6.037 91 HG13 ILE 13 HG13 ILE 13 0.729 6.231 -4.671 92 HG21 ILE 13 HG21 ILE 13 -1.917 7.863 -6.546 93 HG22 ILE 13 HG22 ILE 13 -2.877 7.229 -5.188 94 HG23 ILE 13 HG23 ILE 13 -2.480 8.963 -5.264 95 HD11 ILE 13 HD11 ILE 13 -1.575 5.644 -3.363 96 HD12 ILE 13 HD12 ILE 13 -1.811 4.757 -4.888 97 HD13 ILE 13 HD13 ILE 13 -0.373 4.443 -3.889 98 H HIS 14 H HIS 14 1.567 7.126 -6.493 99 HA HIS 14 HA HIS 14 1.078 8.698 -8.983 100 HB2 HIS 14 HB2 HIS 14 3.051 7.652 -9.892 101 HB3 HIS 14 HB3 HIS 14 3.452 8.255 -8.269 102 HD2 HIS 14 HD2 HIS 14 3.488 6.112 -6.267 103 HE1 HIS 14 HE1 HIS 14 4.322 3.152 -9.189 104 HE2 HIS 14 HE2 HIS 14 4.290 3.670 -6.698 105 H CYS 15 H CYS 15 0.523 7.631 -10.935 106 HA CYS 15 HA CYS 15 -1.403 5.508 -10.523 107 HB2 CYS 15 HB2 CYS 15 -0.297 6.496 -13.175 108 HB3 CYS 15 HB3 CYS 15 -1.863 5.710 -12.873 109 H CYS 16 H CYS 16 -1.388 3.391 -11.302 110 HA CYS 16 HA CYS 16 1.044 1.985 -10.988 111 HB2 CYS 16 HB2 CYS 16 -1.401 1.090 -12.562 112 HB3 CYS 16 HB3 CYS 16 -0.157 0.041 -11.846 113 H SER 17 H SER 17 1.699 0.305 -12.830 114 HA SER 17 HA SER 17 3.157 1.795 -14.737 115 HB2 SER 17 HB2 SER 17 3.519 -0.425 -15.866 116 HB3 SER 17 HB3 SER 17 3.839 -0.447 -14.115 117 HG SER 17 HG SER 17 2.585 -2.260 -14.817 118 H GLY 18 H GLY 18 2.863 2.389 -16.831 119 HA2 GLY 18 HA2 GLY 18 1.740 2.295 -18.948 120 HA3 GLY 18 HA3 GLY 18 0.348 1.523 -18.166 121 H LEU 19 H LEU 19 0.486 3.553 -15.937 122 HA LEU 19 HA LEU 19 -0.737 5.805 -17.485 123 HB2 LEU 19 HB2 LEU 19 -1.454 4.876 -14.690 124 HB3 LEU 19 HB3 LEU 19 -2.260 6.148 -15.635 125 HG LEU 19 HG LEU 19 -2.189 3.365 -16.738 126 HD11 LEU 19 HD11 LEU 19 -2.904 2.801 -14.578 127 HD12 LEU 19 HD12 LEU 19 -4.411 3.031 -15.498 128 HD13 LEU 19 HD13 LEU 19 -3.839 4.306 -14.395 129 HD21 LEU 19 HD21 LEU 19 -3.093 5.245 -18.049 130 HD22 LEU 19 HD22 LEU 19 -4.267 5.573 -16.754 131 HD23 LEU 19 HD23 LEU 19 -4.343 4.040 -17.655 132 H THR 20 H THR 20 -0.612 7.929 -16.526 133 HA THR 20 HA THR 20 1.689 8.199 -14.634 134 HB THR 20 HB THR 20 1.137 10.037 -16.990 135 HG1 THR 20 HG1 THR 20 3.083 9.065 -17.841 136 HG21 THR 20 HG21 THR 20 3.757 10.371 -16.146 137 HG22 THR 20 HG22 THR 20 2.856 10.186 -14.622 138 HG23 THR 20 HG23 THR 20 2.393 11.455 -15.782 139 H CYS 21 H CYS 21 1.486 9.667 -13.023 140 HA CYS 21 HA CYS 21 -1.196 10.721 -12.562 141 HB2 CYS 21 HB2 CYS 21 0.488 9.783 -10.822 142 HB3 CYS 21 HB3 CYS 21 1.254 11.383 -10.914 143 H LYS 22 H LYS 22 -1.504 12.202 -14.257 144 HA LYS 22 HA LYS 22 0.315 14.540 -14.324 145 HB2 LYS 22 HB2 LYS 22 -1.846 13.452 -16.111 146 HB3 LYS 22 HB3 LYS 22 -1.432 15.175 -16.209 147 HG2 LYS 22 HG2 LYS 22 0.729 14.745 -16.964 148 HG3 LYS 22 HG3 LYS 22 0.706 13.065 -16.372 149 HD2 LYS 22 HD2 LYS 22 -0.931 12.466 -18.085 150 HD3 LYS 22 HD3 LYS 22 -0.972 14.152 -18.656 151 HE2 LYS 22 HE2 LYS 22 1.544 12.468 -18.594 152 HE3 LYS 22 HE3 LYS 22 0.464 12.563 -20.005 153 HZ1 LYS 22 HZ1 LYS 22 2.221 14.130 -20.286 154 HZ2 LYS 22 HZ2 LYS 22 1.977 14.799 -18.752 155 HZ3 LYS 22 HZ3 LYS 22 0.813 15.008 -19.960 156 H CYS 23 H CYS 23 -0.338 16.660 -13.961 157 HA CYS 23 HA CYS 23 -3.063 17.015 -12.818 158 HB2 CYS 23 HB2 CYS 23 -0.572 18.131 -11.484 159 HB3 CYS 23 HB3 CYS 23 -2.240 18.167 -10.876 160 H LYS 24 H LYS 24 -4.013 18.517 -14.000 161 HA LYS 24 HA LYS 24 -2.313 20.739 -15.052 162 HB2 LYS 24 HB2 LYS 24 -4.838 19.418 -16.055 163 HB3 LYS 24 HB3 LYS 24 -4.404 21.058 -16.579 164 HG2 LYS 24 HG2 LYS 24 -2.358 18.884 -16.789 165 HG3 LYS 24 HG3 LYS 24 -3.689 18.941 -17.970 166 HD2 LYS 24 HD2 LYS 24 -2.196 21.466 -17.374 167 HD3 LYS 24 HD3 LYS 24 -1.406 20.229 -18.382 168 HE2 LYS 24 HE2 LYS 24 -2.479 21.452 -20.001 169 HE3 LYS 24 HE3 LYS 24 -3.733 20.243 -19.634 170 HZ1 LYS 24 HZ1 LYS 24 -5.009 21.777 -18.532 171 HZ2 LYS 24 HZ2 LYS 24 -4.316 22.766 -19.715 172 HZ3 LYS 24 HZ3 LYS 24 -3.705 22.779 -18.138 173 H GLY 25 H GLY 25 -2.362 22.328 -13.563 174 HA2 GLY 25 HA2 GLY 25 -3.372 24.239 -12.637 175 HA3 GLY 25 HA3 GLY 25 -4.961 23.639 -13.147 176 H SER 26 H SER 26 -6.305 22.986 -11.618 177 HA SER 26 HA SER 26 -5.099 22.307 -8.965 178 HB2 SER 26 HB2 SER 26 -7.956 23.224 -9.394 179 HB3 SER 26 HB3 SER 26 -6.994 23.244 -7.897 180 HG SER 26 HG SER 26 -7.184 25.336 -8.863 181 H SER 27 H SER 27 -5.640 20.550 -11.337 182 HA SER 27 HA SER 27 -7.462 18.644 -9.923 183 HB2 SER 27 HB2 SER 27 -7.358 19.468 -12.810 184 HB3 SER 27 HB3 SER 27 -7.777 17.782 -12.425 185 HG SER 27 HG SER 27 -9.633 19.159 -12.545 186 H CYS 28 H CYS 28 -6.940 16.448 -10.010 187 HA CYS 28 HA CYS 28 -4.322 15.771 -11.245 188 HB2 CYS 28 HB2 CYS 28 -4.433 16.360 -8.582 189 HB3 CYS 28 HB3 CYS 28 -4.781 14.617 -8.544 190 H VAL 29 H VAL 29 -4.964 14.304 -12.694 191 HA VAL 29 HA VAL 29 -6.408 11.929 -11.621 192 HB VAL 29 HB VAL 29 -8.048 13.417 -12.792 193 HG11 VAL 29 HG11 VAL 29 -6.901 12.673 -15.437 194 HG12 VAL 29 HG12 VAL 29 -7.823 14.116 -14.947 195 HG13 VAL 29 HG13 VAL 29 -6.095 13.982 -14.541 196 HG21 VAL 29 HG21 VAL 29 -8.100 10.837 -12.693 197 HG22 VAL 29 HG22 VAL 29 -9.159 11.657 -13.864 198 HG23 VAL 29 HG23 VAL 29 -7.641 10.904 -14.413 199 H CYS 30 H CYS 30 -6.043 9.974 -12.751 200 HA CYS 30 HA CYS 30 -3.374 9.838 -13.897 201 HB2 CYS 30 HB2 CYS 30 -5.557 7.749 -13.545 202 HB3 CYS 30 HB3 CYS 30 -3.923 7.395 -14.144 203 H ARG 31 H ARG 31 -2.768 9.890 -15.956 204 HA ARG 31 HA ARG 31 -4.776 9.242 -18.045 205 HB2 ARG 31 HB2 ARG 31 -3.234 11.848 -17.836 206 HB3 ARG 31 HB3 ARG 31 -3.973 11.281 -19.345 207 HG2 ARG 31 HG2 ARG 31 -5.455 11.820 -16.759 208 HG3 ARG 31 HG3 ARG 31 -5.378 12.914 -18.162 209 HD2 ARG 31 HD2 ARG 31 -6.643 10.168 -17.997 210 HD3 ARG 31 HD3 ARG 31 -7.445 11.728 -18.295 211 HE ARG 31 HE ARG 31 -6.161 10.019 -20.242 212 HH11 ARG 31 HH11 ARG 31 -6.870 13.372 -19.398 213 HH12 ARG 31 HH12 ARG 31 -6.814 13.933 -21.073 214 HH21 ARG 31 HH21 ARG 31 -6.090 10.749 -22.401 215 HH22 ARG 31 HH22 ARG 31 -6.375 12.454 -22.766 216 H LYS 32 H LYS 32 -3.957 8.206 -19.779 217 HA LYS 32 HA LYS 32 -1.448 6.966 -19.639 218 HB2 LYS 32 HB2 LYS 32 -3.354 7.541 -21.904 219 HB3 LYS 32 HB3 LYS 32 -1.785 6.782 -22.238 220 HG2 LYS 32 HG2 LYS 32 -2.410 5.046 -20.484 221 HG3 LYS 32 HG3 LYS 32 -4.055 5.725 -20.553 222 HD2 LYS 32 HD2 LYS 32 -4.248 4.062 -22.122 223 HD3 LYS 32 HD3 LYS 32 -3.701 5.401 -23.162 224 HE2 LYS 32 HE2 LYS 32 -1.694 3.577 -21.862 225 HE3 LYS 32 HE3 LYS 32 -2.555 3.054 -23.329 226 HZ1 LYS 32 HZ1 LYS 32 -0.537 5.143 -22.996 227 HZ2 LYS 32 HZ2 LYS 32 -1.780 5.458 -24.100 228 HZ3 LYS 32 HZ3 LYS 32 -0.805 4.089 -24.292 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 3.329 -2.339 -1.010 2 H2 GLY 1 H2 GLY 1 2.114 -1.159 -0.886 3 H3 GLY 1 H3 GLY 1 1.695 -2.802 -0.988 4 HA2 GLY 1 HA2 GLY 1 3.037 -1.220 -3.079 5 HA3 GLY 1 HA3 GLY 1 2.597 -2.936 -3.184 6 H TYR 2 H TYR 2 1.511 0.357 -3.372 7 HA TYR 2 HA TYR 2 -0.985 -0.591 -4.620 8 HB2 TYR 2 HB2 TYR 2 -2.434 0.821 -3.224 9 HB3 TYR 2 HB3 TYR 2 -1.599 -0.399 -2.237 10 HD1 TYR 2 HD1 TYR 2 0.522 0.362 -0.995 11 HD2 TYR 2 HD2 TYR 2 -2.302 3.079 -2.649 12 HE1 TYR 2 HE1 TYR 2 1.365 2.132 0.490 13 HE2 TYR 2 HE2 TYR 2 -1.466 4.858 -1.170 14 HH TYR 2 HH TYR 2 -0.029 5.420 0.414 15 H CYS 3 H CYS 3 -1.963 0.921 -5.984 16 HA CYS 3 HA CYS 3 -0.806 3.615 -6.165 17 HB2 CYS 3 HB2 CYS 3 -0.281 3.266 -8.641 18 HB3 CYS 3 HB3 CYS 3 0.847 2.523 -7.486 19 H ALA 4 H ALA 4 -1.818 4.842 -8.054 20 HA ALA 4 HA ALA 4 -4.710 4.258 -7.964 21 HB1 ALA 4 HB1 ALA 4 -4.552 6.527 -9.414 22 HB2 ALA 4 HB2 ALA 4 -4.538 6.494 -7.634 23 HB3 ALA 4 HB3 ALA 4 -3.009 6.622 -8.533 24 H GLU 5 H GLU 5 -6.055 4.263 -9.854 25 HA GLU 5 HA GLU 5 -4.585 3.196 -12.230 26 HB2 GLU 5 HB2 GLU 5 -7.217 2.524 -10.955 27 HB3 GLU 5 HB3 GLU 5 -7.065 2.344 -12.714 28 HG2 GLU 5 HG2 GLU 5 -4.884 1.024 -12.091 29 HG3 GLU 5 HG3 GLU 5 -5.685 0.856 -10.511 30 H LYS 6 H LYS 6 -6.125 3.391 -14.276 31 HA LYS 6 HA LYS 6 -6.107 6.106 -15.020 32 HB2 LYS 6 HB2 LYS 6 -6.370 3.853 -16.399 33 HB3 LYS 6 HB3 LYS 6 -8.099 4.234 -16.272 34 HG2 LYS 6 HG2 LYS 6 -6.207 6.358 -17.204 35 HG3 LYS 6 HG3 LYS 6 -6.676 5.053 -18.322 36 HD2 LYS 6 HD2 LYS 6 -8.816 6.467 -16.774 37 HD3 LYS 6 HD3 LYS 6 -8.070 7.298 -18.161 38 HE2 LYS 6 HE2 LYS 6 -9.820 6.214 -19.192 39 HE3 LYS 6 HE3 LYS 6 -8.522 5.011 -19.379 40 HZ1 LYS 6 HZ1 LYS 6 -9.459 3.632 -17.836 41 HZ2 LYS 6 HZ2 LYS 6 -10.863 4.333 -18.467 42 HZ3 LYS 6 HZ3 LYS 6 -10.235 4.876 -16.993 43 H GLY 7 H GLY 7 -7.323 7.787 -14.493 44 HA2 GLY 7 HA2 GLY 7 -9.402 8.915 -14.243 45 HA3 GLY 7 HA3 GLY 7 -10.221 7.355 -14.034 46 H ILE 8 H ILE 8 -7.948 6.646 -12.074 47 HA ILE 8 HA ILE 8 -9.413 7.524 -9.718 48 HB ILE 8 HB ILE 8 -6.762 6.053 -9.922 49 HG12 ILE 8 HG12 ILE 8 -8.577 4.817 -11.013 50 HG13 ILE 8 HG13 ILE 8 -8.126 4.029 -9.486 51 HG21 ILE 8 HG21 ILE 8 -6.660 6.512 -7.728 52 HG22 ILE 8 HG22 ILE 8 -8.358 7.041 -7.666 53 HG23 ILE 8 HG23 ILE 8 -7.962 5.309 -7.560 54 HD11 ILE 8 HD11 ILE 8 -10.262 4.066 -8.907 55 HD12 ILE 8 HD12 ILE 8 -10.181 5.843 -8.849 56 HD13 ILE 8 HD13 ILE 8 -10.679 5.024 -10.347 57 H LYS 9 H LYS 9 -9.278 9.623 -9.196 58 HA LYS 9 HA LYS 9 -7.056 11.308 -9.661 59 HB2 LYS 9 HB2 LYS 9 -9.391 11.395 -7.752 60 HB3 LYS 9 HB3 LYS 9 -8.117 12.627 -7.656 61 HG2 LYS 9 HG2 LYS 9 -8.701 13.593 -9.639 62 HG3 LYS 9 HG3 LYS 9 -9.316 12.071 -10.329 63 HD2 LYS 9 HD2 LYS 9 -11.167 12.293 -8.504 64 HD3 LYS 9 HD3 LYS 9 -10.661 14.001 -8.450 65 HE2 LYS 9 HE2 LYS 9 -11.274 12.669 -11.080 66 HE3 LYS 9 HE3 LYS 9 -12.591 13.272 -10.046 67 HZ1 LYS 9 HZ1 LYS 9 -12.222 15.251 -10.951 68 HZ2 LYS 9 HZ2 LYS 9 -10.819 14.727 -11.735 69 HZ3 LYS 9 HZ3 LYS 9 -10.736 15.309 -10.148 70 H CYS 10 H CYS 10 -5.176 11.691 -8.667 71 HA CYS 10 HA CYS 10 -4.741 10.318 -6.042 72 HB2 CYS 10 HB2 CYS 10 -2.307 10.178 -6.791 73 HB3 CYS 10 HB3 CYS 10 -3.449 9.118 -7.647 74 H HIS 11 H HIS 11 -3.824 11.449 -4.418 75 HA HIS 11 HA HIS 11 -3.463 14.349 -4.924 76 HB2 HIS 11 HB2 HIS 11 -3.966 12.645 -2.496 77 HB3 HIS 11 HB3 HIS 11 -3.206 14.237 -2.289 78 HD2 HIS 11 HD2 HIS 11 -6.490 12.996 -4.163 79 HE1 HIS 11 HE1 HIS 11 -7.233 16.694 -2.225 80 HE2 HIS 11 HE2 HIS 11 -8.253 14.842 -3.641 81 H ASN 12 H ASN 12 -1.753 11.624 -3.337 82 HA ASN 12 HA ASN 12 0.796 13.029 -3.990 83 HB2 ASN 12 HB2 ASN 12 1.716 12.628 -1.837 84 HB3 ASN 12 HB3 ASN 12 0.093 13.288 -1.537 85 HD21 ASN 12 HD21 ASN 12 2.271 10.883 -0.775 86 HD22 ASN 12 HD22 ASN 12 1.127 9.718 -0.022 87 H ILE 13 H ILE 13 -1.068 10.457 -4.588 88 HA ILE 13 HA ILE 13 1.172 8.492 -4.537 89 HB ILE 13 HB ILE 13 -1.069 7.864 -3.552 90 HG12 ILE 13 HG12 ILE 13 -0.379 6.121 -5.934 91 HG13 ILE 13 HG13 ILE 13 0.716 6.275 -4.543 92 HG21 ILE 13 HG21 ILE 13 -2.881 7.278 -5.094 93 HG22 ILE 13 HG22 ILE 13 -2.482 9.009 -5.195 94 HG23 ILE 13 HG23 ILE 13 -1.922 7.892 -6.464 95 HD11 ILE 13 HD11 ILE 13 -1.613 5.707 -3.280 96 HD12 ILE 13 HD12 ILE 13 -1.834 4.823 -4.810 97 HD13 ILE 13 HD13 ILE 13 -0.416 4.494 -3.786 98 H HIS 14 H HIS 14 1.558 7.149 -6.405 99 HA HIS 14 HA HIS 14 1.094 8.696 -8.913 100 HB2 HIS 14 HB2 HIS 14 3.257 6.854 -7.943 101 HB3 HIS 14 HB3 HIS 14 2.941 6.936 -9.688 102 HD2 HIS 14 HD2 HIS 14 2.756 10.206 -7.548 103 HE1 HIS 14 HE1 HIS 14 6.217 10.378 -9.994 104 HE2 HIS 14 HE2 HIS 14 4.737 11.679 -8.382 105 H CYS 15 H CYS 15 0.558 7.598 -10.870 106 HA CYS 15 HA CYS 15 -1.409 5.494 -10.408 107 HB2 CYS 15 HB2 CYS 15 -0.410 6.555 -13.074 108 HB3 CYS 15 HB3 CYS 15 -1.954 5.742 -12.739 109 H CYS 16 H CYS 16 -1.418 3.393 -11.223 110 HA CYS 16 HA CYS 16 1.017 1.982 -11.029 111 HB2 CYS 16 HB2 CYS 16 -1.478 1.146 -12.559 112 HB3 CYS 16 HB3 CYS 16 -0.209 0.067 -11.939 113 H SER 17 H SER 17 1.721 0.402 -12.888 114 HA SER 17 HA SER 17 3.078 1.959 -14.808 115 HB2 SER 17 HB2 SER 17 3.256 -0.344 -16.038 116 HB3 SER 17 HB3 SER 17 3.989 -0.166 -14.426 117 HG SER 17 HG SER 17 2.732 -2.096 -14.626 118 H GLY 18 H GLY 18 2.799 2.392 -16.985 119 HA2 GLY 18 HA2 GLY 18 1.603 2.294 -19.048 120 HA3 GLY 18 HA3 GLY 18 0.221 1.566 -18.208 121 H LEU 19 H LEU 19 0.508 3.681 -16.045 122 HA LEU 19 HA LEU 19 -0.752 5.895 -17.616 123 HB2 LEU 19 HB2 LEU 19 -1.369 5.100 -14.758 124 HB3 LEU 19 HB3 LEU 19 -2.209 6.319 -15.744 125 HG LEU 19 HG LEU 19 -2.180 3.483 -16.699 126 HD11 LEU 19 HD11 LEU 19 -4.324 3.178 -15.345 127 HD12 LEU 19 HD12 LEU 19 -3.751 4.536 -14.347 128 HD13 LEU 19 HD13 LEU 19 -2.782 3.048 -14.466 129 HD21 LEU 19 HD21 LEU 19 -4.240 5.709 -16.736 130 HD22 LEU 19 HD22 LEU 19 -4.402 4.118 -17.518 131 HD23 LEU 19 HD23 LEU 19 -3.155 5.262 -18.075 132 H THR 20 H THR 20 -0.682 8.037 -16.523 133 HA THR 20 HA THR 20 1.760 8.326 -14.830 134 HB THR 20 HB THR 20 1.110 10.283 -17.049 135 HG1 THR 20 HG1 THR 20 2.777 9.171 -18.251 136 HG21 THR 20 HG21 THR 20 3.646 10.656 -16.760 137 HG22 THR 20 HG22 THR 20 3.470 9.745 -15.239 138 HG23 THR 20 HG23 THR 20 2.567 11.260 -15.480 139 H CYS 21 H CYS 21 1.374 9.424 -13.036 140 HA CYS 21 HA CYS 21 -1.194 10.676 -12.601 141 HB2 CYS 21 HB2 CYS 21 0.327 9.543 -10.871 142 HB3 CYS 21 HB3 CYS 21 1.282 11.040 -10.886 143 H LYS 22 H LYS 22 -1.387 12.274 -14.204 144 HA LYS 22 HA LYS 22 0.502 14.565 -13.946 145 HB2 LYS 22 HB2 LYS 22 -0.421 15.332 -16.086 146 HB3 LYS 22 HB3 LYS 22 0.169 13.663 -16.213 147 HG2 LYS 22 HG2 LYS 22 -2.100 12.812 -16.071 148 HG3 LYS 22 HG3 LYS 22 -2.728 14.461 -15.834 149 HD2 LYS 22 HD2 LYS 22 -3.027 13.742 -18.151 150 HD3 LYS 22 HD3 LYS 22 -1.877 15.097 -18.056 151 HE2 LYS 22 HE2 LYS 22 -0.046 13.747 -18.534 152 HE3 LYS 22 HE3 LYS 22 -0.876 12.262 -18.011 153 HZ1 LYS 22 HZ1 LYS 22 -0.776 13.466 -20.601 154 HZ2 LYS 22 HZ2 LYS 22 -2.374 13.214 -20.107 155 HZ3 LYS 22 HZ3 LYS 22 -1.289 11.916 -20.154 156 H CYS 23 H CYS 23 -0.229 16.686 -13.646 157 HA CYS 23 HA CYS 23 -3.076 16.917 -12.771 158 HB2 CYS 23 HB2 CYS 23 -0.626 18.013 -11.339 159 HB3 CYS 23 HB3 CYS 23 -2.306 18.419 -10.926 160 H LYS 24 H LYS 24 -4.053 18.297 -14.073 161 HA LYS 24 HA LYS 24 -2.443 20.518 -15.235 162 HB2 LYS 24 HB2 LYS 24 -3.689 19.002 -16.778 163 HB3 LYS 24 HB3 LYS 24 -5.206 19.515 -16.015 164 HG2 LYS 24 HG2 LYS 24 -5.201 20.915 -17.807 165 HG3 LYS 24 HG3 LYS 24 -4.286 21.924 -16.658 166 HD2 LYS 24 HD2 LYS 24 -2.272 21.550 -17.724 167 HD3 LYS 24 HD3 LYS 24 -2.802 19.995 -18.409 168 HE2 LYS 24 HE2 LYS 24 -2.855 21.292 -20.297 169 HE3 LYS 24 HE3 LYS 24 -4.513 21.547 -19.705 170 HZ1 LYS 24 HZ1 LYS 24 -4.042 23.670 -19.041 171 HZ2 LYS 24 HZ2 LYS 24 -3.008 23.557 -20.376 172 HZ3 LYS 24 HZ3 LYS 24 -2.392 23.378 -18.810 173 H GLY 25 H GLY 25 -2.410 22.073 -13.665 174 HA2 GLY 25 HA2 GLY 25 -3.366 24.060 -12.821 175 HA3 GLY 25 HA3 GLY 25 -4.977 23.474 -13.275 176 H SER 26 H SER 26 -6.295 22.893 -11.694 177 HA SER 26 HA SER 26 -5.041 22.292 -9.046 178 HB2 SER 26 HB2 SER 26 -7.915 23.168 -9.418 179 HB3 SER 26 HB3 SER 26 -6.880 23.299 -7.975 180 HG SER 26 HG SER 26 -7.156 25.322 -9.063 181 H SER 27 H SER 27 -5.634 20.456 -11.348 182 HA SER 27 HA SER 27 -7.422 18.599 -9.827 183 HB2 SER 27 HB2 SER 27 -8.240 19.655 -12.121 184 HB3 SER 27 HB3 SER 27 -7.184 18.405 -12.822 185 HG SER 27 HG SER 27 -9.358 17.673 -12.526 186 H CYS 28 H CYS 28 -6.947 16.366 -9.962 187 HA CYS 28 HA CYS 28 -4.311 15.687 -11.161 188 HB2 CYS 28 HB2 CYS 28 -5.098 15.359 -8.252 189 HB3 CYS 28 HB3 CYS 28 -3.838 14.358 -9.003 190 H VAL 29 H VAL 29 -4.924 14.229 -12.628 191 HA VAL 29 HA VAL 29 -6.352 11.831 -11.603 192 HB VAL 29 HB VAL 29 -8.043 13.329 -12.679 193 HG11 VAL 29 HG11 VAL 29 -7.723 14.287 -14.672 194 HG12 VAL 29 HG12 VAL 29 -6.033 13.734 -14.572 195 HG13 VAL 29 HG13 VAL 29 -7.247 12.742 -15.416 196 HG21 VAL 29 HG21 VAL 29 -9.142 11.593 -13.847 197 HG22 VAL 29 HG22 VAL 29 -7.606 10.841 -14.343 198 HG23 VAL 29 HG23 VAL 29 -8.119 10.776 -12.640 199 H CYS 30 H CYS 30 -5.983 9.916 -12.783 200 HA CYS 30 HA CYS 30 -3.352 9.851 -14.020 201 HB2 CYS 30 HB2 CYS 30 -5.468 7.679 -13.759 202 HB3 CYS 30 HB3 CYS 30 -3.777 7.426 -14.237 203 H ARG 31 H ARG 31 -2.783 9.717 -16.114 204 HA ARG 31 HA ARG 31 -4.924 9.283 -18.125 205 HB2 ARG 31 HB2 ARG 31 -3.043 11.671 -18.089 206 HB3 ARG 31 HB3 ARG 31 -4.068 11.215 -19.464 207 HG2 ARG 31 HG2 ARG 31 -5.161 11.836 -16.714 208 HG3 ARG 31 HG3 ARG 31 -4.949 13.060 -17.990 209 HD2 ARG 31 HD2 ARG 31 -6.484 10.514 -18.497 210 HD3 ARG 31 HD3 ARG 31 -7.258 11.921 -17.729 211 HE ARG 31 HE ARG 31 -6.475 11.627 -20.530 212 HH11 ARG 31 HH11 ARG 31 -7.230 13.855 -17.897 213 HH12 ARG 31 HH12 ARG 31 -7.684 15.174 -18.981 214 HH21 ARG 31 HH21 ARG 31 -7.063 13.333 -21.923 215 HH22 ARG 31 HH22 ARG 31 -7.590 14.880 -21.251 216 H LYS 32 H LYS 32 -4.295 8.092 -19.824 217 HA LYS 32 HA LYS 32 -1.817 6.715 -19.752 218 HB2 LYS 32 HB2 LYS 32 -2.446 5.773 -21.859 219 HB3 LYS 32 HB3 LYS 32 -3.940 6.002 -20.929 220 HG2 LYS 32 HG2 LYS 32 -4.225 8.192 -22.188 221 HG3 LYS 32 HG3 LYS 32 -2.914 7.631 -23.254 222 HD2 LYS 32 HD2 LYS 32 -4.836 6.936 -24.376 223 HD3 LYS 32 HD3 LYS 32 -4.343 5.475 -23.485 224 HE2 LYS 32 HE2 LYS 32 -6.573 5.517 -22.960 225 HE3 LYS 32 HE3 LYS 32 -5.928 6.504 -21.625 226 HZ1 LYS 32 HZ1 LYS 32 -7.906 7.463 -22.755 227 HZ2 LYS 32 HZ2 LYS 32 -6.986 7.640 -24.162 228 HZ3 LYS 32 HZ3 LYS 32 -6.559 8.487 -22.762 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 3.980 -2.098 -2.245 2 H2 GLY 1 H2 GLY 1 3.274 -0.586 -2.557 3 H3 GLY 1 H3 GLY 1 2.652 -1.576 -1.326 4 HA2 GLY 1 HA2 GLY 1 2.655 -2.184 -4.207 5 HA3 GLY 1 HA3 GLY 1 2.003 -3.217 -2.920 6 H TYR 2 H TYR 2 1.791 0.206 -3.992 7 HA TYR 2 HA TYR 2 -1.134 -0.073 -4.149 8 HB2 TYR 2 HB2 TYR 2 -0.317 0.625 -1.725 9 HB3 TYR 2 HB3 TYR 2 -0.136 2.221 -2.483 10 HD1 TYR 2 HD2 TYR 2 -2.695 -0.525 -2.559 11 HD2 TYR 2 HD1 TYR 2 -1.908 3.629 -2.091 12 HE1 TYR 2 HE2 TYR 2 -5.098 -0.111 -2.247 13 HE2 TYR 2 HE1 TYR 2 -4.309 4.055 -1.777 14 HH TYR 2 HH TYR 2 -6.702 1.447 -2.111 15 H CYS 3 H CYS 3 -1.854 0.987 -5.862 16 HA CYS 3 HA CYS 3 -0.626 3.551 -6.625 17 HB2 CYS 3 HB2 CYS 3 -0.328 2.730 -9.020 18 HB3 CYS 3 HB3 CYS 3 0.857 2.134 -7.840 19 H ALA 4 H ALA 4 -1.878 4.771 -8.100 20 HA ALA 4 HA ALA 4 -4.729 4.051 -7.970 21 HB1 ALA 4 HB1 ALA 4 -4.821 6.365 -9.250 22 HB2 ALA 4 HB2 ALA 4 -4.512 6.286 -7.499 23 HB3 ALA 4 HB3 ALA 4 -3.157 6.507 -8.634 24 H GLU 5 H GLU 5 -6.145 4.220 -9.849 25 HA GLU 5 HA GLU 5 -4.749 3.177 -12.280 26 HB2 GLU 5 HB2 GLU 5 -7.512 2.689 -11.142 27 HB3 GLU 5 HB3 GLU 5 -7.117 2.311 -12.830 28 HG2 GLU 5 HG2 GLU 5 -5.688 0.593 -12.260 29 HG3 GLU 5 HG3 GLU 5 -5.376 1.250 -10.634 30 H LYS 6 H LYS 6 -6.288 3.508 -14.305 31 HA LYS 6 HA LYS 6 -6.171 6.251 -14.944 32 HB2 LYS 6 HB2 LYS 6 -6.246 4.582 -16.682 33 HB3 LYS 6 HB3 LYS 6 -7.831 4.000 -16.133 34 HG2 LYS 6 HG2 LYS 6 -8.921 5.968 -16.895 35 HG3 LYS 6 HG3 LYS 6 -7.372 6.802 -17.166 36 HD2 LYS 6 HD2 LYS 6 -8.126 4.265 -18.627 37 HD3 LYS 6 HD3 LYS 6 -8.571 5.883 -19.227 38 HE2 LYS 6 HE2 LYS 6 -6.004 6.368 -18.850 39 HE3 LYS 6 HE3 LYS 6 -5.873 4.598 -18.979 40 HZ1 LYS 6 HZ1 LYS 6 -6.106 6.464 -21.046 41 HZ2 LYS 6 HZ2 LYS 6 -7.528 5.547 -21.049 42 HZ3 LYS 6 HZ3 LYS 6 -6.025 4.778 -21.168 43 H GLY 7 H GLY 7 -7.345 7.951 -14.385 44 HA2 GLY 7 HA2 GLY 7 -9.397 9.123 -14.107 45 HA3 GLY 7 HA3 GLY 7 -10.251 7.580 -13.922 46 H ILE 8 H ILE 8 -7.980 6.781 -11.992 47 HA ILE 8 HA ILE 8 -9.410 7.640 -9.608 48 HB ILE 8 HB ILE 8 -6.787 6.128 -9.853 49 HG12 ILE 8 HG12 ILE 8 -8.643 4.966 -10.977 50 HG13 ILE 8 HG13 ILE 8 -8.166 4.113 -9.493 51 HG21 ILE 8 HG21 ILE 8 -8.190 5.428 -7.505 52 HG22 ILE 8 HG22 ILE 8 -6.661 6.327 -7.639 53 HG23 ILE 8 HG23 ILE 8 -8.208 7.206 -7.590 54 HD11 ILE 8 HD11 ILE 8 -10.285 4.149 -8.853 55 HD12 ILE 8 HD12 ILE 8 -10.195 5.925 -8.750 56 HD13 ILE 8 HD13 ILE 8 -10.730 5.145 -10.259 57 H LYS 9 H LYS 9 -9.229 9.719 -9.029 58 HA LYS 9 HA LYS 9 -6.984 11.377 -9.484 59 HB2 LYS 9 HB2 LYS 9 -9.282 11.458 -7.527 60 HB3 LYS 9 HB3 LYS 9 -7.991 12.674 -7.446 61 HG2 LYS 9 HG2 LYS 9 -8.701 13.743 -9.295 62 HG3 LYS 9 HG3 LYS 9 -9.126 12.231 -10.135 63 HD2 LYS 9 HD2 LYS 9 -11.117 12.078 -8.554 64 HD3 LYS 9 HD3 LYS 9 -10.741 13.753 -8.076 65 HE2 LYS 9 HE2 LYS 9 -10.802 14.258 -10.612 66 HE3 LYS 9 HE3 LYS 9 -11.634 12.690 -10.755 67 HZ1 LYS 9 HZ1 LYS 9 -12.584 15.207 -9.639 68 HZ2 LYS 9 HZ2 LYS 9 -13.036 13.815 -8.792 69 HZ3 LYS 9 HZ3 LYS 9 -13.438 13.980 -10.428 70 H CYS 10 H CYS 10 -5.082 11.695 -8.510 71 HA CYS 10 HA CYS 10 -4.641 10.258 -5.922 72 HB2 CYS 10 HB2 CYS 10 -2.221 10.078 -6.709 73 HB3 CYS 10 HB3 CYS 10 -3.399 9.062 -7.567 74 H HIS 11 H HIS 11 -3.675 11.338 -4.288 75 HA HIS 11 HA HIS 11 -3.253 14.238 -4.747 76 HB2 HIS 11 HB2 HIS 11 -3.549 12.540 -2.248 77 HB3 HIS 11 HB3 HIS 11 -3.088 14.254 -2.193 78 HD2 HIS 11 HD2 HIS 11 -6.031 12.632 -4.305 79 HE1 HIS 11 HE1 HIS 11 -7.576 15.684 -1.798 80 HE2 HIS 11 HE2 HIS 11 -8.145 13.987 -3.608 81 H ASN 12 H ASN 12 -1.586 11.444 -3.234 82 HA ASN 12 HA ASN 12 0.987 12.801 -3.898 83 HB2 ASN 12 HB2 ASN 12 0.147 12.854 -1.370 84 HB3 ASN 12 HB3 ASN 12 0.796 11.199 -1.364 85 HD21 ASN 12 HD21 ASN 12 2.578 11.386 -0.177 86 HD22 ASN 12 HD22 ASN 12 3.935 12.502 -0.561 87 H ILE 13 H ILE 13 -0.946 10.286 -4.517 88 HA ILE 13 HA ILE 13 1.246 8.267 -4.532 89 HB ILE 13 HB ILE 13 -0.995 7.673 -3.528 90 HG12 ILE 13 HG12 ILE 13 -0.319 5.984 -5.961 91 HG13 ILE 13 HG13 ILE 13 0.716 6.043 -4.517 92 HG21 ILE 13 HG21 ILE 13 -1.888 7.779 -6.426 93 HG22 ILE 13 HG22 ILE 13 -2.842 7.161 -5.058 94 HG23 ILE 13 HG23 ILE 13 -2.403 8.885 -5.130 95 HD11 ILE 13 HD11 ILE 13 -1.701 4.538 -4.999 96 HD12 ILE 13 HD12 ILE 13 -0.511 4.397 -3.683 97 HD13 ILE 13 HD13 ILE 13 -1.860 5.550 -3.545 98 H HIS 14 H HIS 14 1.583 6.954 -6.429 99 HA HIS 14 HA HIS 14 1.125 8.558 -8.901 100 HB2 HIS 14 HB2 HIS 14 3.103 6.308 -8.365 101 HB3 HIS 14 HB3 HIS 14 2.992 7.267 -9.858 102 HD2 HIS 14 HD2 HIS 14 2.669 10.107 -7.818 103 HE1 HIS 14 HE1 HIS 14 6.762 9.177 -7.211 104 HE2 HIS 14 HE2 HIS 14 4.979 10.977 -6.982 105 H CYS 15 H CYS 15 0.592 7.474 -10.891 106 HA CYS 15 HA CYS 15 -1.454 5.440 -10.445 107 HB2 CYS 15 HB2 CYS 15 -0.421 6.482 -13.105 108 HB3 CYS 15 HB3 CYS 15 -1.997 5.732 -12.768 109 H CYS 16 H CYS 16 -1.538 3.356 -11.318 110 HA CYS 16 HA CYS 16 0.821 1.838 -11.098 111 HB2 CYS 16 HB2 CYS 16 -1.730 1.231 -12.640 112 HB3 CYS 16 HB3 CYS 16 -0.472 0.036 -12.266 113 H SER 17 H SER 17 1.610 0.323 -12.932 114 HA SER 17 HA SER 17 3.084 1.856 -14.755 115 HB2 SER 17 HB2 SER 17 3.693 -0.208 -15.812 116 HB3 SER 17 HB3 SER 17 3.450 -0.574 -14.087 117 HG SER 17 HG SER 17 2.434 -2.118 -15.478 118 H GLY 18 H GLY 18 2.894 2.469 -16.877 119 HA2 GLY 18 HA2 GLY 18 1.805 2.523 -19.003 120 HA3 GLY 18 HA3 GLY 18 0.369 1.772 -18.281 121 H LEU 19 H LEU 19 0.473 3.685 -15.976 122 HA LEU 19 HA LEU 19 -0.585 6.060 -17.461 123 HB2 LEU 19 HB2 LEU 19 -1.481 5.062 -14.746 124 HB3 LEU 19 HB3 LEU 19 -2.214 6.358 -15.720 125 HG LEU 19 HG LEU 19 -2.115 3.579 -16.840 126 HD11 LEU 19 HD11 LEU 19 -4.097 4.555 -14.764 127 HD12 LEU 19 HD12 LEU 19 -2.938 3.216 -14.586 128 HD13 LEU 19 HD13 LEU 19 -4.277 3.084 -15.751 129 HD21 LEU 19 HD21 LEU 19 -2.956 5.818 -17.941 130 HD22 LEU 19 HD22 LEU 19 -4.418 5.493 -16.978 131 HD23 LEU 19 HD23 LEU 19 -3.851 4.297 -18.170 132 H THR 20 H THR 20 -0.365 8.126 -16.460 133 HA THR 20 HA THR 20 1.780 8.209 -14.379 134 HB THR 20 HB THR 20 1.568 10.258 -16.598 135 HG1 THR 20 HG1 THR 20 3.314 9.069 -17.597 136 HG21 THR 20 HG21 THR 20 2.834 11.050 -14.744 137 HG22 THR 20 HG22 THR 20 4.020 10.529 -15.965 138 HG23 THR 20 HG23 THR 20 3.675 9.493 -14.559 139 H CYS 21 H CYS 21 1.497 9.604 -12.729 140 HA CYS 21 HA CYS 21 -1.121 10.745 -12.361 141 HB2 CYS 21 HB2 CYS 21 0.667 9.934 -10.616 142 HB3 CYS 21 HB3 CYS 21 1.287 11.594 -10.751 143 H LYS 22 H LYS 22 -1.472 12.138 -14.119 144 HA LYS 22 HA LYS 22 0.310 14.488 -14.355 145 HB2 LYS 22 HB2 LYS 22 -2.155 13.663 -15.935 146 HB3 LYS 22 HB3 LYS 22 -1.130 15.065 -16.297 147 HG2 LYS 22 HG2 LYS 22 0.047 12.300 -16.153 148 HG3 LYS 22 HG3 LYS 22 -0.787 12.870 -17.621 149 HD2 LYS 22 HD2 LYS 22 1.364 13.511 -18.107 150 HD3 LYS 22 HD3 LYS 22 0.783 14.976 -17.278 151 HE2 LYS 22 HE2 LYS 22 2.045 14.588 -15.407 152 HE3 LYS 22 HE3 LYS 22 2.002 12.821 -15.612 153 HZ1 LYS 22 HZ1 LYS 22 3.647 12.940 -17.292 154 HZ2 LYS 22 HZ2 LYS 22 4.208 13.906 -16.021 155 HZ3 LYS 22 HZ3 LYS 22 3.545 14.625 -17.401 156 H CYS 23 H CYS 23 -0.348 16.626 -14.084 157 HA CYS 23 HA CYS 23 -3.007 17.019 -12.804 158 HB2 CYS 23 HB2 CYS 23 -0.301 17.702 -11.643 159 HB3 CYS 23 HB3 CYS 23 -1.739 18.651 -11.209 160 H LYS 24 H LYS 24 -4.054 18.477 -13.956 161 HA LYS 24 HA LYS 24 -2.442 20.658 -15.223 162 HB2 LYS 24 HB2 LYS 24 -3.798 18.972 -16.660 163 HB3 LYS 24 HB3 LYS 24 -5.228 19.844 -16.075 164 HG2 LYS 24 HG2 LYS 24 -4.625 21.820 -17.169 165 HG3 LYS 24 HG3 LYS 24 -2.932 21.303 -17.365 166 HD2 LYS 24 HD2 LYS 24 -3.944 21.107 -19.507 167 HD3 LYS 24 HD3 LYS 24 -3.801 19.452 -18.867 168 HE2 LYS 24 HE2 LYS 24 -6.104 19.331 -18.366 169 HE3 LYS 24 HE3 LYS 24 -6.315 21.091 -18.524 170 HZ1 LYS 24 HZ1 LYS 24 -6.987 19.407 -20.436 171 HZ2 LYS 24 HZ2 LYS 24 -5.373 19.641 -20.883 172 HZ3 LYS 24 HZ3 LYS 24 -6.419 20.965 -20.772 173 H GLY 25 H GLY 25 -2.472 22.247 -13.707 174 HA2 GLY 25 HA2 GLY 25 -3.468 24.177 -12.811 175 HA3 GLY 25 HA3 GLY 25 -5.057 23.594 -13.342 176 H SER 26 H SER 26 -6.436 22.978 -11.829 177 HA SER 26 HA SER 26 -5.289 22.330 -9.143 178 HB2 SER 26 HB2 SER 26 -7.040 23.442 -8.132 179 HB3 SER 26 HB3 SER 26 -6.935 24.379 -9.641 180 HG SER 26 HG SER 26 -8.714 22.201 -9.088 181 H SER 27 H SER 27 -5.773 20.532 -11.496 182 HA SER 27 HA SER 27 -7.626 18.648 -10.092 183 HB2 SER 27 HB2 SER 27 -7.514 19.493 -12.956 184 HB3 SER 27 HB3 SER 27 -7.809 17.767 -12.639 185 HG SER 27 HG SER 27 -9.762 19.000 -12.746 186 H CYS 28 H CYS 28 -7.141 16.416 -10.248 187 HA CYS 28 HA CYS 28 -4.445 15.767 -11.322 188 HB2 CYS 28 HB2 CYS 28 -5.378 15.449 -8.466 189 HB3 CYS 28 HB3 CYS 28 -4.157 14.354 -9.147 190 H VAL 29 H VAL 29 -4.986 14.354 -12.862 191 HA VAL 29 HA VAL 29 -6.588 11.990 -11.984 192 HB VAL 29 HB VAL 29 -6.828 13.275 -14.723 193 HG11 VAL 29 HG11 VAL 29 -7.411 11.064 -15.031 194 HG12 VAL 29 HG12 VAL 29 -8.033 10.882 -13.373 195 HG13 VAL 29 HG13 VAL 29 -8.982 11.773 -14.588 196 HG21 VAL 29 HG21 VAL 29 -7.775 14.789 -13.088 197 HG22 VAL 29 HG22 VAL 29 -9.091 13.981 -13.973 198 HG23 VAL 29 HG23 VAL 29 -8.676 13.458 -12.324 199 H CYS 30 H CYS 30 -6.090 10.017 -12.986 200 HA CYS 30 HA CYS 30 -3.301 9.830 -13.810 201 HB2 CYS 30 HB2 CYS 30 -5.534 7.785 -13.546 202 HB3 CYS 30 HB3 CYS 30 -3.883 7.367 -14.051 203 H ARG 31 H ARG 31 -2.668 10.364 -15.784 204 HA ARG 31 HA ARG 31 -4.288 9.322 -18.061 205 HB2 ARG 31 HB2 ARG 31 -3.107 12.106 -17.776 206 HB3 ARG 31 HB3 ARG 31 -3.700 11.436 -19.309 207 HG2 ARG 31 HG2 ARG 31 -5.890 11.611 -18.703 208 HG3 ARG 31 HG3 ARG 31 -5.548 11.380 -16.971 209 HD2 ARG 31 HD2 ARG 31 -6.107 13.613 -17.012 210 HD3 ARG 31 HD3 ARG 31 -4.341 13.703 -17.215 211 HE ARG 31 HE ARG 31 -5.764 13.566 -19.745 212 HH11 ARG 31 HH11 ARG 31 -4.692 15.681 -17.128 213 HH12 ARG 31 HH12 ARG 31 -4.672 17.128 -18.143 214 HH21 ARG 31 HH21 ARG 31 -5.735 15.438 -21.048 215 HH22 ARG 31 HH22 ARG 31 -5.260 16.990 -20.352 216 H LYS 32 H LYS 32 -3.150 8.659 -19.865 217 HA LYS 32 HA LYS 32 -0.521 7.681 -19.402 218 HB2 LYS 32 HB2 LYS 32 -0.516 7.098 -21.781 219 HB3 LYS 32 HB3 LYS 32 -2.083 6.709 -21.046 220 HG2 LYS 32 HG2 LYS 32 -3.073 8.702 -22.015 221 HG3 LYS 32 HG3 LYS 32 -1.495 9.188 -22.683 222 HD2 LYS 32 HD2 LYS 32 -2.728 8.177 -24.460 223 HD3 LYS 32 HD3 LYS 32 -1.482 7.007 -23.959 224 HE2 LYS 32 HE2 LYS 32 -3.201 5.879 -22.541 225 HE3 LYS 32 HE3 LYS 32 -4.423 6.986 -23.214 226 HZ1 LYS 32 HZ1 LYS 32 -3.602 4.575 -24.273 227 HZ2 LYS 32 HZ2 LYS 32 -2.912 5.741 -25.284 228 HZ3 LYS 32 HZ3 LYS 32 -4.584 5.729 -25.023 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 1.886 -2.149 0.803 2 H2 GLY 1 H2 GLY 1 0.680 -1.121 1.410 3 H3 GLY 1 H3 GLY 1 0.268 -2.370 0.337 4 HA2 GLY 1 HA2 GLY 1 1.221 0.257 -0.171 5 HA3 GLY 1 HA3 GLY 1 2.147 -1.001 -1.011 6 H TYR 2 H TYR 2 0.195 1.115 -1.928 7 HA TYR 2 HA TYR 2 -1.349 -0.720 -3.665 8 HB2 TYR 2 HB2 TYR 2 -3.452 0.488 -3.313 9 HB3 TYR 2 HB3 TYR 2 -2.868 -0.197 -1.781 10 HD1 TYR 2 HD1 TYR 2 -1.910 1.288 -0.053 11 HD2 TYR 2 HD2 TYR 2 -3.639 2.854 -3.610 12 HE1 TYR 2 HE1 TYR 2 -2.052 3.505 1.000 13 HE2 TYR 2 HE2 TYR 2 -3.785 5.077 -2.568 14 HH TYR 2 HH TYR 2 -3.268 6.330 -0.807 15 H CYS 3 H CYS 3 -2.399 0.459 -5.489 16 HA CYS 3 HA CYS 3 -1.024 3.028 -6.102 17 HB2 CYS 3 HB2 CYS 3 -0.481 2.254 -8.366 18 HB3 CYS 3 HB3 CYS 3 0.295 1.217 -7.149 19 H ALA 4 H ALA 4 -2.029 4.277 -7.792 20 HA ALA 4 HA ALA 4 -4.953 3.929 -7.722 21 HB1 ALA 4 HB1 ALA 4 -4.155 6.143 -7.317 22 HB2 ALA 4 HB2 ALA 4 -3.160 6.123 -8.793 23 HB3 ALA 4 HB3 ALA 4 -4.937 6.145 -8.916 24 H GLU 5 H GLU 5 -6.263 4.185 -9.687 25 HA GLU 5 HA GLU 5 -4.920 2.822 -11.987 26 HB2 GLU 5 HB2 GLU 5 -7.729 2.648 -10.878 27 HB3 GLU 5 HB3 GLU 5 -7.373 2.182 -12.553 28 HG2 GLU 5 HG2 GLU 5 -7.327 0.199 -11.261 29 HG3 GLU 5 HG3 GLU 5 -5.637 0.603 -11.644 30 H LYS 6 H LYS 6 -6.107 3.220 -14.121 31 HA LYS 6 HA LYS 6 -5.833 5.923 -14.825 32 HB2 LYS 6 HB2 LYS 6 -5.948 3.876 -16.347 33 HB3 LYS 6 HB3 LYS 6 -7.713 3.985 -16.209 34 HG2 LYS 6 HG2 LYS 6 -6.178 6.412 -17.047 35 HG3 LYS 6 HG3 LYS 6 -6.430 5.094 -18.218 36 HD2 LYS 6 HD2 LYS 6 -8.899 5.219 -17.629 37 HD3 LYS 6 HD3 LYS 6 -8.521 6.728 -16.761 38 HE2 LYS 6 HE2 LYS 6 -7.450 7.520 -18.946 39 HE3 LYS 6 HE3 LYS 6 -8.257 6.133 -19.714 40 HZ1 LYS 6 HZ1 LYS 6 -10.262 7.271 -18.313 41 HZ2 LYS 6 HZ2 LYS 6 -9.948 7.560 -19.950 42 HZ3 LYS 6 HZ3 LYS 6 -9.370 8.633 -18.777 43 H GLY 7 H GLY 7 -6.968 7.687 -14.404 44 HA2 GLY 7 HA2 GLY 7 -9.001 8.946 -14.412 45 HA3 GLY 7 HA3 GLY 7 -9.925 7.445 -14.213 46 H ILE 8 H ILE 8 -7.825 6.712 -12.056 47 HA ILE 8 HA ILE 8 -9.426 7.732 -9.852 48 HB ILE 8 HB ILE 8 -6.809 6.191 -9.762 49 HG12 ILE 8 HG12 ILE 8 -8.506 4.959 -11.031 50 HG13 ILE 8 HG13 ILE 8 -8.251 4.197 -9.446 51 HG21 ILE 8 HG21 ILE 8 -8.249 5.502 -7.537 52 HG22 ILE 8 HG22 ILE 8 -6.960 6.728 -7.583 53 HG23 ILE 8 HG23 ILE 8 -8.665 7.223 -7.720 54 HD11 ILE 8 HD11 ILE 8 -10.608 4.248 -10.017 55 HD12 ILE 8 HD12 ILE 8 -10.287 5.289 -8.608 56 HD13 ILE 8 HD13 ILE 8 -10.544 6.015 -10.212 57 H LYS 9 H LYS 9 -9.251 9.809 -9.302 58 HA LYS 9 HA LYS 9 -7.031 11.477 -9.722 59 HB2 LYS 9 HB2 LYS 9 -9.350 11.528 -7.798 60 HB3 LYS 9 HB3 LYS 9 -8.059 12.737 -7.644 61 HG2 LYS 9 HG2 LYS 9 -8.642 13.811 -9.564 62 HG3 LYS 9 HG3 LYS 9 -9.223 12.323 -10.352 63 HD2 LYS 9 HD2 LYS 9 -11.204 12.356 -8.842 64 HD3 LYS 9 HD3 LYS 9 -10.635 13.909 -8.185 65 HE2 LYS 9 HE2 LYS 9 -11.333 13.356 -11.086 66 HE3 LYS 9 HE3 LYS 9 -12.366 14.207 -9.913 67 HZ1 LYS 9 HZ1 LYS 9 -9.725 15.092 -10.957 68 HZ2 LYS 9 HZ2 LYS 9 -10.525 15.847 -9.671 69 HZ3 LYS 9 HZ3 LYS 9 -11.228 15.825 -11.210 70 H CYS 10 H CYS 10 -5.106 11.753 -8.804 71 HA CYS 10 HA CYS 10 -4.648 10.395 -6.177 72 HB2 CYS 10 HB2 CYS 10 -2.240 10.163 -6.991 73 HB3 CYS 10 HB3 CYS 10 -3.442 9.135 -7.802 74 H HIS 11 H HIS 11 -3.647 11.510 -4.590 75 HA HIS 11 HA HIS 11 -3.197 14.389 -5.139 76 HB2 HIS 11 HB2 HIS 11 -3.609 12.740 -2.643 77 HB3 HIS 11 HB3 HIS 11 -2.912 14.371 -2.539 78 HD2 HIS 11 HD2 HIS 11 -5.504 14.485 -5.251 79 HE1 HIS 11 HE1 HIS 11 -7.562 15.476 -1.677 80 HE2 HIS 11 HE2 HIS 11 -7.691 15.454 -4.219 81 H ASN 12 H ASN 12 -1.541 11.621 -3.568 82 HA ASN 12 HA ASN 12 1.038 12.926 -4.308 83 HB2 ASN 12 HB2 ASN 12 0.350 11.673 -1.622 84 HB3 ASN 12 HB3 ASN 12 1.988 12.150 -2.123 85 HD21 ASN 12 HD21 ASN 12 -1.164 13.206 -1.092 86 HD22 ASN 12 HD22 ASN 12 -0.720 14.929 -0.831 87 H ILE 13 H ILE 13 -0.931 10.422 -4.830 88 HA ILE 13 HA ILE 13 1.239 8.376 -4.814 89 HB ILE 13 HB ILE 13 -0.994 7.838 -3.760 90 HG12 ILE 13 HG12 ILE 13 -0.554 6.005 -6.115 91 HG13 ILE 13 HG13 ILE 13 0.733 6.209 -4.904 92 HG21 ILE 13 HG21 ILE 13 -2.412 9.018 -5.377 93 HG22 ILE 13 HG22 ILE 13 -1.929 7.869 -6.646 94 HG23 ILE 13 HG23 ILE 13 -2.871 7.304 -5.245 95 HD11 ILE 13 HD11 ILE 13 -1.740 4.681 -4.776 96 HD12 ILE 13 HD12 ILE 13 -0.272 4.579 -3.773 97 HD13 ILE 13 HD13 ILE 13 -1.537 5.766 -3.379 98 H HIS 14 H HIS 14 1.528 7.003 -6.676 99 HA HIS 14 HA HIS 14 0.833 8.440 -9.209 100 HB2 HIS 14 HB2 HIS 14 3.230 6.629 -8.765 101 HB3 HIS 14 HB3 HIS 14 2.914 7.690 -10.154 102 HD2 HIS 14 HD2 HIS 14 2.327 10.466 -8.483 103 HE1 HIS 14 HE1 HIS 14 6.192 9.799 -6.870 104 HE2 HIS 14 HE2 HIS 14 4.358 11.525 -7.238 105 H CYS 15 H CYS 15 -0.372 7.396 -10.642 106 HA CYS 15 HA CYS 15 -1.573 4.915 -10.120 107 HB2 CYS 15 HB2 CYS 15 -1.177 6.582 -12.589 108 HB3 CYS 15 HB3 CYS 15 -1.830 4.938 -12.766 109 H CYS 16 H CYS 16 -1.305 2.814 -10.911 110 HA CYS 16 HA CYS 16 1.312 1.803 -10.877 111 HB2 CYS 16 HB2 CYS 16 -1.351 0.775 -11.763 112 HB3 CYS 16 HB3 CYS 16 0.084 -0.131 -12.289 113 H SER 17 H SER 17 2.272 0.429 -12.722 114 HA SER 17 HA SER 17 3.249 2.153 -14.700 115 HB2 SER 17 HB2 SER 17 4.228 -0.065 -14.042 116 HB3 SER 17 HB3 SER 17 2.939 -0.863 -14.977 117 HG SER 17 HG SER 17 4.892 -0.609 -16.187 118 H GLY 18 H GLY 18 2.784 2.611 -16.823 119 HA2 GLY 18 HA2 GLY 18 1.533 2.152 -18.862 120 HA3 GLY 18 HA3 GLY 18 0.235 1.453 -17.878 121 H LEU 19 H LEU 19 0.685 3.816 -15.948 122 HA LEU 19 HA LEU 19 -0.741 5.849 -17.616 123 HB2 LEU 19 HB2 LEU 19 -1.304 5.251 -14.701 124 HB3 LEU 19 HB3 LEU 19 -2.204 6.341 -15.780 125 HG LEU 19 HG LEU 19 -2.054 3.423 -16.452 126 HD11 LEU 19 HD11 LEU 19 -4.152 3.117 -15.092 127 HD12 LEU 19 HD12 LEU 19 -3.775 4.663 -14.295 128 HD13 LEU 19 HD13 LEU 19 -2.651 3.290 -14.148 129 HD21 LEU 19 HD21 LEU 19 -4.252 5.494 -16.723 130 HD22 LEU 19 HD22 LEU 19 -4.222 3.860 -17.428 131 HD23 LEU 19 HD23 LEU 19 -3.067 5.093 -17.990 132 H THR 20 H THR 20 -0.710 8.056 -16.657 133 HA THR 20 HA THR 20 1.783 8.498 -15.069 134 HB THR 20 HB THR 20 0.899 10.300 -17.346 135 HG1 THR 20 HG1 THR 20 2.658 9.294 -18.509 136 HG21 THR 20 HG21 THR 20 3.190 11.182 -17.144 137 HG22 THR 20 HG22 THR 20 3.498 10.069 -15.790 138 HG23 THR 20 HG23 THR 20 2.284 11.360 -15.621 139 H CYS 21 H CYS 21 1.352 9.503 -13.234 140 HA CYS 21 HA CYS 21 -1.215 10.728 -12.749 141 HB2 CYS 21 HB2 CYS 21 0.335 9.598 -11.051 142 HB3 CYS 21 HB3 CYS 21 1.289 11.096 -11.075 143 H LYS 22 H LYS 22 -1.458 12.341 -14.329 144 HA LYS 22 HA LYS 22 0.449 14.609 -14.207 145 HB2 LYS 22 HB2 LYS 22 -1.873 13.946 -16.050 146 HB3 LYS 22 HB3 LYS 22 -0.978 15.476 -16.124 147 HG2 LYS 22 HG2 LYS 22 0.518 12.883 -16.271 148 HG3 LYS 22 HG3 LYS 22 -0.351 13.489 -17.702 149 HD2 LYS 22 HD2 LYS 22 0.991 15.381 -17.877 150 HD3 LYS 22 HD3 LYS 22 1.490 15.308 -16.169 151 HE2 LYS 22 HE2 LYS 22 2.983 13.528 -16.568 152 HE3 LYS 22 HE3 LYS 22 2.253 13.160 -18.150 153 HZ1 LYS 22 HZ1 LYS 22 4.343 14.999 -17.502 154 HZ2 LYS 22 HZ2 LYS 22 3.096 15.764 -18.349 155 HZ3 LYS 22 HZ3 LYS 22 3.860 14.408 -19.011 156 H CYS 23 H CYS 23 -0.166 16.737 -13.754 157 HA CYS 23 HA CYS 23 -2.849 17.020 -12.473 158 HB2 CYS 23 HB2 CYS 23 -0.133 17.773 -11.371 159 HB3 CYS 23 HB3 CYS 23 -1.607 18.611 -10.837 160 H LYS 24 H LYS 24 -3.970 18.473 -13.562 161 HA LYS 24 HA LYS 24 -2.469 20.764 -14.765 162 HB2 LYS 24 HB2 LYS 24 -5.040 19.382 -15.592 163 HB3 LYS 24 HB3 LYS 24 -4.542 20.953 -16.246 164 HG2 LYS 24 HG2 LYS 24 -2.582 18.705 -16.358 165 HG3 LYS 24 HG3 LYS 24 -3.975 18.669 -17.468 166 HD2 LYS 24 HD2 LYS 24 -3.325 21.110 -18.022 167 HD3 LYS 24 HD3 LYS 24 -1.768 20.714 -17.253 168 HE2 LYS 24 HE2 LYS 24 -1.590 18.755 -18.814 169 HE3 LYS 24 HE3 LYS 24 -3.042 19.360 -19.647 170 HZ1 LYS 24 HZ1 LYS 24 -1.916 21.178 -20.460 171 HZ2 LYS 24 HZ2 LYS 24 -0.697 20.007 -20.505 172 HZ3 LYS 24 HZ3 LYS 24 -0.728 21.148 -19.256 173 H GLY 25 H GLY 25 -2.829 22.743 -14.011 174 HA2 GLY 25 HA2 GLY 25 -3.784 24.447 -12.767 175 HA3 GLY 25 HA3 GLY 25 -5.351 23.770 -13.250 176 H SER 26 H SER 26 -6.650 23.090 -11.695 177 HA SER 26 HA SER 26 -5.393 22.513 -9.042 178 HB2 SER 26 HB2 SER 26 -8.146 23.614 -9.728 179 HB3 SER 26 HB3 SER 26 -7.641 23.132 -8.091 180 HG SER 26 HG SER 26 -7.364 25.394 -8.481 181 H SER 27 H SER 27 -5.872 20.686 -11.367 182 HA SER 27 HA SER 27 -7.611 18.738 -9.903 183 HB2 SER 27 HB2 SER 27 -7.526 19.472 -12.824 184 HB3 SER 27 HB3 SER 27 -7.933 17.803 -12.360 185 HG SER 27 HG SER 27 -9.798 19.158 -12.541 186 H CYS 28 H CYS 28 -7.044 16.527 -10.064 187 HA CYS 28 HA CYS 28 -4.358 15.975 -11.211 188 HB2 CYS 28 HB2 CYS 28 -5.184 15.667 -8.322 189 HB3 CYS 28 HB3 CYS 28 -3.960 14.590 -9.027 190 H VAL 29 H VAL 29 -4.892 14.524 -12.720 191 HA VAL 29 HA VAL 29 -6.249 12.056 -11.761 192 HB VAL 29 HB VAL 29 -7.958 13.507 -12.877 193 HG11 VAL 29 HG11 VAL 29 -7.170 13.014 -15.598 194 HG12 VAL 29 HG12 VAL 29 -7.520 14.561 -14.789 195 HG13 VAL 29 HG13 VAL 29 -5.871 13.892 -14.754 196 HG21 VAL 29 HG21 VAL 29 -7.960 10.960 -12.858 197 HG22 VAL 29 HG22 VAL 29 -8.952 11.745 -14.109 198 HG23 VAL 29 HG23 VAL 29 -7.372 11.046 -14.535 199 H CYS 30 H CYS 30 -5.785 10.170 -12.965 200 HA CYS 30 HA CYS 30 -3.138 10.302 -14.237 201 HB2 CYS 30 HB2 CYS 30 -4.988 7.984 -13.563 202 HB3 CYS 30 HB3 CYS 30 -3.386 7.795 -14.308 203 H ARG 31 H ARG 31 -2.629 9.509 -16.313 204 HA ARG 31 HA ARG 31 -4.937 9.124 -18.147 205 HB2 ARG 31 HB2 ARG 31 -2.884 11.313 -18.263 206 HB3 ARG 31 HB3 ARG 31 -3.461 10.609 -19.786 207 HG2 ARG 31 HG2 ARG 31 -4.964 12.300 -19.575 208 HG3 ARG 31 HG3 ARG 31 -5.831 11.043 -18.656 209 HD2 ARG 31 HD2 ARG 31 -5.956 12.767 -17.154 210 HD3 ARG 31 HD3 ARG 31 -4.409 12.044 -16.648 211 HE ARG 31 HE ARG 31 -3.358 13.998 -17.241 212 HH11 ARG 31 HH11 ARG 31 -6.415 13.733 -18.986 213 HH12 ARG 31 HH12 ARG 31 -6.267 15.326 -19.734 214 HH21 ARG 31 HH21 ARG 31 -3.172 16.053 -18.210 215 HH22 ARG 31 HH22 ARG 31 -4.436 16.634 -19.298 216 H LYS 32 H LYS 32 -4.620 7.594 -19.649 217 HA LYS 32 HA LYS 32 -2.104 6.099 -19.523 218 HB2 LYS 32 HB2 LYS 32 -3.224 4.513 -21.012 219 HB3 LYS 32 HB3 LYS 32 -4.281 4.942 -19.654 220 HG2 LYS 32 HG2 LYS 32 -5.756 6.104 -20.979 221 HG3 LYS 32 HG3 LYS 32 -4.526 6.472 -22.213 222 HD2 LYS 32 HD2 LYS 32 -5.961 4.877 -23.205 223 HD3 LYS 32 HD3 LYS 32 -4.508 3.970 -22.721 224 HE2 LYS 32 HE2 LYS 32 -5.790 3.459 -20.547 225 HE3 LYS 32 HE3 LYS 32 -7.235 4.015 -21.426 226 HZ1 LYS 32 HZ1 LYS 32 -7.209 2.212 -22.784 227 HZ2 LYS 32 HZ2 LYS 32 -6.470 1.502 -21.438 228 HZ3 LYS 32 HZ3 LYS 32 -5.526 2.029 -22.740 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 3.756 -3.183 -3.689 2 H2 GLY 1 H2 GLY 1 2.305 -2.660 -2.980 3 H3 GLY 1 H3 GLY 1 2.288 -3.381 -4.518 4 HA2 GLY 1 HA2 GLY 1 3.570 -0.824 -3.814 5 HA3 GLY 1 HA3 GLY 1 3.549 -1.577 -5.420 6 H TYR 2 H TYR 2 1.668 0.065 -2.943 7 HA TYR 2 HA TYR 2 -0.846 -0.051 -4.335 8 HB2 TYR 2 HB2 TYR 2 -0.230 0.608 -1.844 9 HB3 TYR 2 HB3 TYR 2 -0.134 2.247 -2.527 10 HD1 TYR 2 HD1 TYR 2 -2.225 2.911 -4.026 11 HD2 TYR 2 HD2 TYR 2 -2.266 -0.104 -1.026 12 HE1 TYR 2 HE1 TYR 2 -4.667 3.135 -3.845 13 HE2 TYR 2 HE2 TYR 2 -4.708 0.110 -0.837 14 HH TYR 2 HH TYR 2 -6.536 1.131 -1.551 15 H CYS 3 H CYS 3 -1.722 1.180 -5.888 16 HA CYS 3 HA CYS 3 -0.577 3.795 -6.545 17 HB2 CYS 3 HB2 CYS 3 -0.227 3.106 -8.979 18 HB3 CYS 3 HB3 CYS 3 0.985 2.528 -7.816 19 H ALA 4 H ALA 4 -1.814 4.941 -8.180 20 HA ALA 4 HA ALA 4 -4.655 4.179 -7.997 21 HB1 ALA 4 HB1 ALA 4 -3.251 6.637 -9.073 22 HB2 ALA 4 HB2 ALA 4 -5.016 6.411 -9.090 23 HB3 ALA 4 HB3 ALA 4 -4.143 6.474 -7.541 24 H GLU 5 H GLU 5 -6.081 4.265 -9.878 25 HA GLU 5 HA GLU 5 -4.670 3.176 -12.280 26 HB2 GLU 5 HB2 GLU 5 -7.345 2.588 -11.020 27 HB3 GLU 5 HB3 GLU 5 -7.100 2.299 -12.754 28 HG2 GLU 5 HG2 GLU 5 -5.312 0.752 -12.306 29 HG3 GLU 5 HG3 GLU 5 -5.365 1.132 -10.568 30 H LYS 6 H LYS 6 -6.162 3.419 -14.321 31 HA LYS 6 HA LYS 6 -6.156 6.135 -15.034 32 HB2 LYS 6 HB2 LYS 6 -6.284 4.076 -16.544 33 HB3 LYS 6 HB3 LYS 6 -8.030 4.068 -16.228 34 HG2 LYS 6 HG2 LYS 6 -8.236 6.298 -17.193 35 HG3 LYS 6 HG3 LYS 6 -6.478 6.353 -17.468 36 HD2 LYS 6 HD2 LYS 6 -6.580 4.625 -19.091 37 HD3 LYS 6 HD3 LYS 6 -8.243 4.187 -18.628 38 HE2 LYS 6 HE2 LYS 6 -8.313 5.408 -20.705 39 HE3 LYS 6 HE3 LYS 6 -8.991 6.432 -19.417 40 HZ1 LYS 6 HZ1 LYS 6 -6.219 6.894 -19.602 41 HZ2 LYS 6 HZ2 LYS 6 -7.489 7.972 -19.888 42 HZ3 LYS 6 HZ3 LYS 6 -6.884 7.022 -21.151 43 H GLY 7 H GLY 7 -7.374 7.812 -14.500 44 HA2 GLY 7 HA2 GLY 7 -9.454 8.937 -14.245 45 HA3 GLY 7 HA3 GLY 7 -10.271 7.376 -14.043 46 H ILE 8 H ILE 8 -7.995 6.661 -12.088 47 HA ILE 8 HA ILE 8 -9.458 7.530 -9.727 48 HB ILE 8 HB ILE 8 -6.816 6.045 -9.949 49 HG12 ILE 8 HG12 ILE 8 -8.669 4.836 -11.022 50 HG13 ILE 8 HG13 ILE 8 -8.179 4.029 -9.516 51 HG21 ILE 8 HG21 ILE 8 -8.059 5.333 -7.572 52 HG22 ILE 8 HG22 ILE 8 -6.676 6.439 -7.751 53 HG23 ILE 8 HG23 ILE 8 -8.332 7.089 -7.682 54 HD11 ILE 8 HD11 ILE 8 -10.753 5.034 -10.293 55 HD12 ILE 8 HD12 ILE 8 -10.295 4.068 -8.869 56 HD13 ILE 8 HD13 ILE 8 -10.211 5.845 -8.807 57 H LYS 9 H LYS 9 -9.317 9.638 -9.226 58 HA LYS 9 HA LYS 9 -7.095 11.316 -9.677 59 HB2 LYS 9 HB2 LYS 9 -9.433 11.393 -7.779 60 HB3 LYS 9 HB3 LYS 9 -8.148 12.610 -7.639 61 HG2 LYS 9 HG2 LYS 9 -8.692 13.623 -9.613 62 HG3 LYS 9 HG3 LYS 9 -9.327 12.124 -10.336 63 HD2 LYS 9 HD2 LYS 9 -11.236 12.294 -8.653 64 HD3 LYS 9 HD3 LYS 9 -10.656 13.944 -8.317 65 HE2 LYS 9 HE2 LYS 9 -11.628 12.836 -10.966 66 HE3 LYS 9 HE3 LYS 9 -12.428 14.057 -9.948 67 HZ1 LYS 9 HZ1 LYS 9 -10.355 15.435 -10.301 68 HZ2 LYS 9 HZ2 LYS 9 -11.346 15.230 -11.656 69 HZ3 LYS 9 HZ3 LYS 9 -9.919 14.336 -11.511 70 H CYS 10 H CYS 10 -5.217 11.714 -8.677 71 HA CYS 10 HA CYS 10 -4.765 10.310 -6.071 72 HB2 CYS 10 HB2 CYS 10 -2.332 10.195 -6.829 73 HB3 CYS 10 HB3 CYS 10 -3.469 9.138 -7.694 74 H HIS 11 H HIS 11 -3.849 11.428 -4.436 75 HA HIS 11 HA HIS 11 -3.507 14.335 -4.909 76 HB2 HIS 11 HB2 HIS 11 -3.891 12.617 -2.452 77 HB3 HIS 11 HB3 HIS 11 -3.300 14.286 -2.314 78 HD2 HIS 11 HD2 HIS 11 -5.861 14.195 -5.079 79 HE1 HIS 11 HE1 HIS 11 -8.005 15.149 -1.546 80 HE2 HIS 11 HE2 HIS 11 -8.112 15.054 -4.088 81 H ASN 12 H ASN 12 -1.777 11.603 -3.359 82 HA ASN 12 HA ASN 12 0.763 13.030 -4.003 83 HB2 ASN 12 HB2 ASN 12 1.707 12.422 -1.839 84 HB3 ASN 12 HB3 ASN 12 0.218 13.362 -1.595 85 HD21 ASN 12 HD21 ASN 12 1.668 10.152 -1.525 86 HD22 ASN 12 HD22 ASN 12 0.434 9.422 -0.441 87 H ILE 13 H ILE 13 -1.087 10.458 -4.630 88 HA ILE 13 HA ILE 13 1.164 8.505 -4.605 89 HB ILE 13 HB ILE 13 -1.069 7.851 -3.621 90 HG12 ILE 13 HG12 ILE 13 -0.486 6.093 -6.003 91 HG13 ILE 13 HG13 ILE 13 0.752 6.318 -4.747 92 HG21 ILE 13 HG21 ILE 13 -1.932 7.906 -6.529 93 HG22 ILE 13 HG22 ILE 13 -2.882 7.270 -5.164 94 HG23 ILE 13 HG23 ILE 13 -2.495 9.006 -5.246 95 HD11 ILE 13 HD11 ILE 13 -1.762 4.787 -4.694 96 HD12 ILE 13 HD12 ILE 13 -0.238 4.538 -3.808 97 HD13 ILE 13 HD13 ILE 13 -1.423 5.734 -3.228 98 H HIS 14 H HIS 14 1.554 7.185 -6.491 99 HA HIS 14 HA HIS 14 1.043 8.745 -8.983 100 HB2 HIS 14 HB2 HIS 14 3.284 7.007 -8.017 101 HB3 HIS 14 HB3 HIS 14 2.947 7.027 -9.762 102 HD2 HIS 14 HD2 HIS 14 4.179 9.487 -6.958 103 HE1 HIS 14 HE1 HIS 14 4.929 11.231 -10.752 104 HE2 HIS 14 HE2 HIS 14 5.290 11.465 -8.243 105 H CYS 15 H CYS 15 0.521 7.648 -10.940 106 HA CYS 15 HA CYS 15 -1.403 5.521 -10.509 107 HB2 CYS 15 HB2 CYS 15 -0.298 6.519 -13.159 108 HB3 CYS 15 HB3 CYS 15 -1.844 5.691 -12.874 109 H CYS 16 H CYS 16 -1.379 3.401 -11.295 110 HA CYS 16 HA CYS 16 1.073 2.018 -10.969 111 HB2 CYS 16 HB2 CYS 16 -1.368 1.071 -12.520 112 HB3 CYS 16 HB3 CYS 16 -0.120 0.052 -11.770 113 H SER 17 H SER 17 1.752 0.334 -12.782 114 HA SER 17 HA SER 17 3.160 1.816 -14.730 115 HB2 SER 17 HB2 SER 17 2.497 -1.094 -14.352 116 HB3 SER 17 HB3 SER 17 3.228 -0.573 -15.890 117 HG SER 17 HG SER 17 4.805 -1.185 -14.313 118 H GLY 18 H GLY 18 2.838 2.371 -16.831 119 HA2 GLY 18 HA2 GLY 18 1.691 2.194 -18.937 120 HA3 GLY 18 HA3 GLY 18 0.306 1.459 -18.109 121 H LEU 19 H LEU 19 0.478 3.554 -15.951 122 HA LEU 19 HA LEU 19 -0.767 5.755 -17.552 123 HB2 LEU 19 HB2 LEU 19 -1.394 4.972 -14.693 124 HB3 LEU 19 HB3 LEU 19 -2.240 6.176 -15.691 125 HG LEU 19 HG LEU 19 -2.170 3.318 -16.599 126 HD11 LEU 19 HD11 LEU 19 -4.364 3.060 -15.307 127 HD12 LEU 19 HD12 LEU 19 -3.808 4.436 -14.324 128 HD13 LEU 19 HD13 LEU 19 -2.847 2.938 -14.382 129 HD21 LEU 19 HD21 LEU 19 -4.230 3.892 -17.649 130 HD22 LEU 19 HD22 LEU 19 -3.099 5.228 -17.965 131 HD23 LEU 19 HD23 LEU 19 -4.360 5.406 -16.721 132 H THR 20 H THR 20 -0.744 7.904 -16.457 133 HA THR 20 HA THR 20 1.685 8.241 -14.755 134 HB THR 20 HB THR 20 0.993 9.920 -17.193 135 HG1 THR 20 HG1 THR 20 3.054 9.100 -17.922 136 HG21 THR 20 HG21 THR 20 1.883 11.289 -15.352 137 HG22 THR 20 HG22 THR 20 3.056 11.153 -16.684 138 HG23 THR 20 HG23 THR 20 3.274 10.187 -15.205 139 H CYS 21 H CYS 21 1.424 9.553 -13.061 140 HA CYS 21 HA CYS 21 -1.220 10.700 -12.609 141 HB2 CYS 21 HB2 CYS 21 0.329 9.618 -10.863 142 HB3 CYS 21 HB3 CYS 21 1.248 11.138 -10.903 143 H LYS 22 H LYS 22 -1.433 12.265 -14.242 144 HA LYS 22 HA LYS 22 0.451 14.562 -14.083 145 HB2 LYS 22 HB2 LYS 22 -1.763 13.967 -16.083 146 HB3 LYS 22 HB3 LYS 22 -0.607 15.310 -16.179 147 HG2 LYS 22 HG2 LYS 22 1.157 13.332 -16.062 148 HG3 LYS 22 HG3 LYS 22 -0.215 12.400 -16.710 149 HD2 LYS 22 HD2 LYS 22 0.406 15.033 -17.976 150 HD3 LYS 22 HD3 LYS 22 1.514 13.676 -18.291 151 HE2 LYS 22 HE2 LYS 22 0.029 13.337 -19.995 152 HE3 LYS 22 HE3 LYS 22 -0.780 12.395 -18.719 153 HZ1 LYS 22 HZ1 LYS 22 -1.721 14.943 -18.388 154 HZ2 LYS 22 HZ2 LYS 22 -2.544 13.666 -19.130 155 HZ3 LYS 22 HZ3 LYS 22 -1.663 14.762 -20.069 156 H CYS 23 H CYS 23 -0.239 16.681 -13.746 157 HA CYS 23 HA CYS 23 -3.046 16.965 -12.773 158 HB2 CYS 23 HB2 CYS 23 -0.520 17.937 -11.386 159 HB3 CYS 23 HB3 CYS 23 -2.162 18.454 -10.944 160 H LYS 24 H LYS 24 -4.021 18.389 -14.030 161 HA LYS 24 HA LYS 24 -2.383 20.612 -15.159 162 HB2 LYS 24 HB2 LYS 24 -5.062 19.448 -16.002 163 HB3 LYS 24 HB3 LYS 24 -4.321 20.878 -16.744 164 HG2 LYS 24 HG2 LYS 24 -2.760 18.325 -16.601 165 HG3 LYS 24 HG3 LYS 24 -4.041 18.509 -17.826 166 HD2 LYS 24 HD2 LYS 24 -2.025 20.702 -17.488 167 HD3 LYS 24 HD3 LYS 24 -1.545 19.213 -18.338 168 HE2 LYS 24 HE2 LYS 24 -2.333 20.429 -20.111 169 HE3 LYS 24 HE3 LYS 24 -3.841 19.628 -19.606 170 HZ1 LYS 24 HZ1 LYS 24 -4.702 21.554 -18.809 171 HZ2 LYS 24 HZ2 LYS 24 -3.696 22.224 -19.992 172 HZ3 LYS 24 HZ3 LYS 24 -3.203 22.208 -18.374 173 H GLY 25 H GLY 25 -2.377 22.154 -13.583 174 HA2 GLY 25 HA2 GLY 25 -3.360 24.125 -12.728 175 HA3 GLY 25 HA3 GLY 25 -4.963 23.520 -13.185 176 H SER 26 H SER 26 -6.271 22.909 -11.608 177 HA SER 26 HA SER 26 -5.003 22.283 -8.971 178 HB2 SER 26 HB2 SER 26 -7.694 23.534 -9.641 179 HB3 SER 26 HB3 SER 26 -7.236 22.992 -8.009 180 HG SER 26 HG SER 26 -6.819 25.241 -8.352 181 H SER 27 H SER 27 -5.616 20.479 -11.292 182 HA SER 27 HA SER 27 -7.406 18.613 -9.787 183 HB2 SER 27 HB2 SER 27 -8.304 19.667 -12.003 184 HB3 SER 27 HB3 SER 27 -7.167 18.554 -12.801 185 HG SER 27 HG SER 27 -9.277 17.641 -12.545 186 H CYS 28 H CYS 28 -6.936 16.383 -9.937 187 HA CYS 28 HA CYS 28 -4.317 15.701 -11.163 188 HB2 CYS 28 HB2 CYS 28 -5.076 15.360 -8.250 189 HB3 CYS 28 HB3 CYS 28 -3.829 14.354 -9.018 190 H VAL 29 H VAL 29 -4.962 14.263 -12.640 191 HA VAL 29 HA VAL 29 -6.415 11.874 -11.614 192 HB VAL 29 HB VAL 29 -8.065 13.393 -12.729 193 HG11 VAL 29 HG11 VAL 29 -6.128 13.998 -14.484 194 HG12 VAL 29 HG12 VAL 29 -6.954 12.718 -15.406 195 HG13 VAL 29 HG13 VAL 29 -7.860 14.150 -14.863 196 HG21 VAL 29 HG21 VAL 29 -9.116 11.664 -14.044 197 HG22 VAL 29 HG22 VAL 29 -7.563 10.823 -14.260 198 HG23 VAL 29 HG23 VAL 29 -8.310 10.908 -12.647 199 H CYS 30 H CYS 30 -6.064 9.947 -12.789 200 HA CYS 30 HA CYS 30 -3.410 9.835 -13.974 201 HB2 CYS 30 HB2 CYS 30 -5.586 7.735 -13.644 202 HB3 CYS 30 HB3 CYS 30 -3.951 7.399 -14.254 203 H ARG 31 H ARG 31 -2.837 9.950 -16.038 204 HA ARG 31 HA ARG 31 -4.880 9.346 -18.110 205 HB2 ARG 31 HB2 ARG 31 -3.184 11.871 -18.123 206 HB3 ARG 31 HB3 ARG 31 -4.360 11.378 -19.359 207 HG2 ARG 31 HG2 ARG 31 -5.127 11.879 -16.480 208 HG3 ARG 31 HG3 ARG 31 -5.107 13.160 -17.718 209 HD2 ARG 31 HD2 ARG 31 -6.724 10.593 -17.807 210 HD3 ARG 31 HD3 ARG 31 -7.352 12.219 -17.452 211 HE ARG 31 HE ARG 31 -6.144 12.517 -19.907 212 HH11 ARG 31 HH11 ARG 31 -8.565 10.325 -18.566 213 HH12 ARG 31 HH12 ARG 31 -9.401 10.109 -20.108 214 HH21 ARG 31 HH21 ARG 31 -7.227 12.234 -21.894 215 HH22 ARG 31 HH22 ARG 31 -8.645 11.184 -21.983 216 H LYS 32 H LYS 32 -4.099 8.207 -19.769 217 HA LYS 32 HA LYS 32 -1.321 7.368 -19.681 218 HB2 LYS 32 HB2 LYS 32 -1.887 5.888 -21.465 219 HB3 LYS 32 HB3 LYS 32 -3.294 5.940 -20.387 220 HG2 LYS 32 HG2 LYS 32 -4.188 7.759 -21.988 221 HG3 LYS 32 HG3 LYS 32 -2.951 7.153 -23.117 222 HD2 LYS 32 HD2 LYS 32 -3.948 4.820 -22.628 223 HD3 LYS 32 HD3 LYS 32 -5.336 5.713 -21.959 224 HE2 LYS 32 HE2 LYS 32 -4.243 5.828 -24.782 225 HE3 LYS 32 HE3 LYS 32 -5.816 5.188 -24.251 226 HZ1 LYS 32 HZ1 LYS 32 -6.527 7.222 -24.824 227 HZ2 LYS 32 HZ2 LYS 32 -4.994 7.929 -24.725 228 HZ3 LYS 32 HZ3 LYS 32 -5.912 7.701 -23.321 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 2.548 -1.555 0.451 2 H2 GLY 1 H2 GLY 1 1.764 -2.340 -0.835 3 H3 GLY 1 H3 GLY 1 3.374 -1.825 -1.009 4 HA2 GLY 1 HA2 GLY 1 1.620 0.275 -0.246 5 HA3 GLY 1 HA3 GLY 1 2.825 0.203 -1.547 6 H TYR 2 H TYR 2 1.209 1.435 -2.753 7 HA TYR 2 HA TYR 2 -0.298 -0.340 -4.469 8 HB2 TYR 2 HB2 TYR 2 -2.531 0.832 -3.999 9 HB3 TYR 2 HB3 TYR 2 -1.989 -0.369 -2.808 10 HD1 TYR 2 HD1 TYR 2 -1.156 0.361 -0.610 11 HD2 TYR 2 HD2 TYR 2 -2.695 3.158 -3.421 12 HE1 TYR 2 HE1 TYR 2 -1.364 2.035 1.179 13 HE2 TYR 2 HE2 TYR 2 -2.907 4.841 -1.640 14 HH TYR 2 HH TYR 2 -2.395 5.364 0.477 15 H CYS 3 H CYS 3 -1.781 1.063 -5.977 16 HA CYS 3 HA CYS 3 -0.674 3.778 -6.351 17 HB2 CYS 3 HB2 CYS 3 -0.267 3.239 -8.816 18 HB3 CYS 3 HB3 CYS 3 0.910 2.579 -7.659 19 H ALA 4 H ALA 4 -1.797 4.947 -8.146 20 HA ALA 4 HA ALA 4 -4.674 4.324 -7.963 21 HB1 ALA 4 HB1 ALA 4 -3.730 6.633 -7.612 22 HB2 ALA 4 HB2 ALA 4 -3.358 6.672 -9.352 23 HB3 ALA 4 HB3 ALA 4 -5.047 6.526 -8.805 24 H GLU 5 H GLU 5 -6.080 4.291 -9.811 25 HA GLU 5 HA GLU 5 -4.684 3.149 -12.195 26 HB2 GLU 5 HB2 GLU 5 -7.353 2.625 -10.905 27 HB3 GLU 5 HB3 GLU 5 -7.145 2.313 -12.639 28 HG2 GLU 5 HG2 GLU 5 -5.260 0.810 -12.130 29 HG3 GLU 5 HG3 GLU 5 -5.519 1.099 -10.392 30 H LYS 6 H LYS 6 -6.290 3.326 -14.210 31 HA LYS 6 HA LYS 6 -6.204 6.033 -15.015 32 HB2 LYS 6 HB2 LYS 6 -6.385 3.906 -16.446 33 HB3 LYS 6 HB3 LYS 6 -8.132 3.989 -16.149 34 HG2 LYS 6 HG2 LYS 6 -8.073 6.329 -17.095 35 HG3 LYS 6 HG3 LYS 6 -6.397 5.996 -17.596 36 HD2 LYS 6 HD2 LYS 6 -7.091 4.220 -19.033 37 HD3 LYS 6 HD3 LYS 6 -8.742 4.243 -18.367 38 HE2 LYS 6 HE2 LYS 6 -9.067 6.507 -19.285 39 HE3 LYS 6 HE3 LYS 6 -7.425 6.458 -19.967 40 HZ1 LYS 6 HZ1 LYS 6 -8.687 5.800 -21.746 41 HZ2 LYS 6 HZ2 LYS 6 -9.836 4.990 -20.805 42 HZ3 LYS 6 HZ3 LYS 6 -8.318 4.291 -21.075 43 H GLY 7 H GLY 7 -7.377 7.739 -14.475 44 HA2 GLY 7 HA2 GLY 7 -9.435 8.910 -14.239 45 HA3 GLY 7 HA3 GLY 7 -10.285 7.368 -14.023 46 H ILE 8 H ILE 8 -8.024 6.630 -12.055 47 HA ILE 8 HA ILE 8 -9.477 7.545 -9.706 48 HB ILE 8 HB ILE 8 -6.828 6.063 -9.846 49 HG12 ILE 8 HG12 ILE 8 -8.576 4.841 -11.062 50 HG13 ILE 8 HG13 ILE 8 -8.193 4.020 -9.532 51 HG21 ILE 8 HG21 ILE 8 -6.835 6.105 -7.622 52 HG22 ILE 8 HG22 ILE 8 -8.242 7.192 -7.673 53 HG23 ILE 8 HG23 ILE 8 -8.482 5.431 -7.577 54 HD11 ILE 8 HD11 ILE 8 -10.311 5.839 -9.018 55 HD12 ILE 8 HD12 ILE 8 -10.713 4.933 -10.498 56 HD13 ILE 8 HD13 ILE 8 -10.338 4.059 -8.994 57 H LYS 9 H LYS 9 -9.308 9.664 -9.246 58 HA LYS 9 HA LYS 9 -7.058 11.300 -9.703 59 HB2 LYS 9 HB2 LYS 9 -9.394 11.436 -7.802 60 HB3 LYS 9 HB3 LYS 9 -8.097 12.641 -7.693 61 HG2 LYS 9 HG2 LYS 9 -8.637 13.615 -9.690 62 HG3 LYS 9 HG3 LYS 9 -9.303 12.111 -10.372 63 HD2 LYS 9 HD2 LYS 9 -11.330 12.346 -9.186 64 HD3 LYS 9 HD3 LYS 9 -10.642 13.566 -8.086 65 HE2 LYS 9 HE2 LYS 9 -10.386 15.089 -10.065 66 HE3 LYS 9 HE3 LYS 9 -11.273 13.887 -11.034 67 HZ1 LYS 9 HZ1 LYS 9 -13.140 14.820 -10.327 68 HZ2 LYS 9 HZ2 LYS 9 -12.300 15.878 -9.309 69 HZ3 LYS 9 HZ3 LYS 9 -12.779 14.358 -8.741 70 H CYS 10 H CYS 10 -5.181 11.688 -8.698 71 HA CYS 10 HA CYS 10 -4.753 10.294 -6.083 72 HB2 CYS 10 HB2 CYS 10 -2.316 10.165 -6.828 73 HB3 CYS 10 HB3 CYS 10 -3.455 9.113 -7.696 74 H HIS 11 H HIS 11 -3.841 11.412 -4.445 75 HA HIS 11 HA HIS 11 -3.480 14.317 -4.924 76 HB2 HIS 11 HB2 HIS 11 -3.983 12.590 -2.511 77 HB3 HIS 11 HB3 HIS 11 -3.231 14.185 -2.291 78 HD2 HIS 11 HD2 HIS 11 -6.114 13.707 -4.904 79 HE1 HIS 11 HE1 HIS 11 -7.563 16.049 -1.678 80 HE2 HIS 11 HE2 HIS 11 -8.090 15.141 -3.996 81 H ASN 12 H ASN 12 -1.772 11.578 -3.358 82 HA ASN 12 HA ASN 12 0.779 12.990 -3.993 83 HB2 ASN 12 HB2 ASN 12 0.012 13.179 -1.522 84 HB3 ASN 12 HB3 ASN 12 0.412 11.450 -1.411 85 HD21 ASN 12 HD21 ASN 12 1.709 14.637 -2.285 86 HD22 ASN 12 HD22 ASN 12 3.406 14.256 -1.829 87 H ILE 13 H ILE 13 -1.081 10.427 -4.623 88 HA ILE 13 HA ILE 13 1.160 8.461 -4.583 89 HB ILE 13 HB ILE 13 -1.083 7.822 -3.608 90 HG12 ILE 13 HG12 ILE 13 -0.357 6.112 -6.007 91 HG13 ILE 13 HG13 ILE 13 0.698 6.236 -4.582 92 HG21 ILE 13 HG21 ILE 13 -2.891 7.247 -5.159 93 HG22 ILE 13 HG22 ILE 13 -2.495 8.981 -5.243 94 HG23 ILE 13 HG23 ILE 13 -1.931 7.875 -6.520 95 HD11 ILE 13 HD11 ILE 13 -1.787 4.739 -4.973 96 HD12 ILE 13 HD12 ILE 13 -0.460 4.489 -3.813 97 HD13 ILE 13 HD13 ILE 13 -1.741 5.672 -3.458 98 H HIS 14 H HIS 14 1.551 7.136 -6.463 99 HA HIS 14 HA HIS 14 1.077 8.699 -8.959 100 HB2 HIS 14 HB2 HIS 14 3.235 6.785 -8.066 101 HB3 HIS 14 HB3 HIS 14 2.957 7.078 -9.796 102 HD2 HIS 14 HD2 HIS 14 2.934 10.121 -10.219 103 HE1 HIS 14 HE1 HIS 14 6.125 10.462 -7.444 104 HE2 HIS 14 HE2 HIS 14 4.849 11.638 -9.305 105 H CYS 15 H CYS 15 0.588 7.590 -10.933 106 HA CYS 15 HA CYS 15 -1.388 5.494 -10.501 107 HB2 CYS 15 HB2 CYS 15 -0.301 6.520 -13.147 108 HB3 CYS 15 HB3 CYS 15 -1.852 5.702 -12.859 109 H CYS 16 H CYS 16 -1.385 3.382 -11.290 110 HA CYS 16 HA CYS 16 1.045 1.968 -11.008 111 HB2 CYS 16 HB2 CYS 16 -1.412 1.090 -12.572 112 HB3 CYS 16 HB3 CYS 16 -0.168 0.034 -11.869 113 H SER 17 H SER 17 1.723 0.319 -12.845 114 HA SER 17 HA SER 17 3.147 1.824 -14.764 115 HB2 SER 17 HB2 SER 17 2.394 -1.020 -15.384 116 HB3 SER 17 HB3 SER 17 3.971 -0.206 -15.521 117 HG SER 17 HG SER 17 3.891 -1.709 -13.764 118 H GLY 18 H GLY 18 2.847 2.388 -16.871 119 HA2 GLY 18 HA2 GLY 18 1.701 2.262 -18.978 120 HA3 GLY 18 HA3 GLY 18 0.307 1.525 -18.166 121 H LEU 19 H LEU 19 0.585 3.635 -15.981 122 HA LEU 19 HA LEU 19 -0.606 5.885 -17.557 123 HB2 LEU 19 HB2 LEU 19 -1.425 5.028 -14.770 124 HB3 LEU 19 HB3 LEU 19 -2.200 6.252 -15.799 125 HG LEU 19 HG LEU 19 -2.084 3.423 -16.773 126 HD11 LEU 19 HD11 LEU 19 -2.825 3.104 -14.505 127 HD12 LEU 19 HD12 LEU 19 -4.230 2.976 -15.591 128 HD13 LEU 19 HD13 LEU 19 -3.971 4.460 -14.643 129 HD21 LEU 19 HD21 LEU 19 -3.402 4.302 -18.333 130 HD22 LEU 19 HD22 LEU 19 -3.323 5.884 -17.522 131 HD23 LEU 19 HD23 LEU 19 -4.600 4.724 -17.083 132 H THR 20 H THR 20 -0.577 7.991 -16.415 133 HA THR 20 HA THR 20 1.700 8.201 -14.499 134 HB THR 20 HB THR 20 1.330 10.023 -16.907 135 HG1 THR 20 HG1 THR 20 3.309 9.002 -17.612 136 HG21 THR 20 HG21 THR 20 3.213 9.981 -14.560 137 HG22 THR 20 HG22 THR 20 2.353 11.353 -15.299 138 HG23 THR 20 HG23 THR 20 3.755 10.632 -16.125 139 H CYS 21 H CYS 21 1.420 9.625 -12.876 140 HA CYS 21 HA CYS 21 -1.220 10.715 -12.475 141 HB2 CYS 21 HB2 CYS 21 0.600 9.959 -10.744 142 HB3 CYS 21 HB3 CYS 21 1.205 11.620 -10.922 143 H LYS 22 H LYS 22 -1.622 12.074 -14.249 144 HA LYS 22 HA LYS 22 0.132 14.391 -14.673 145 HB2 LYS 22 HB2 LYS 22 -2.468 13.455 -15.919 146 HB3 LYS 22 HB3 LYS 22 -1.737 15.019 -16.320 147 HG2 LYS 22 HG2 LYS 22 0.400 13.548 -16.779 148 HG3 LYS 22 HG3 LYS 22 -0.807 12.250 -16.962 149 HD2 LYS 22 HD2 LYS 22 -1.950 13.477 -18.696 150 HD3 LYS 22 HD3 LYS 22 -0.914 14.901 -18.430 151 HE2 LYS 22 HE2 LYS 22 0.994 13.801 -19.301 152 HE3 LYS 22 HE3 LYS 22 0.204 12.209 -19.227 153 HZ1 LYS 22 HZ1 LYS 22 -1.465 13.451 -20.850 154 HZ2 LYS 22 HZ2 LYS 22 -0.083 12.657 -21.416 155 HZ3 LYS 22 HZ3 LYS 22 -0.069 14.337 -21.216 156 H CYS 23 H CYS 23 -0.371 16.547 -14.311 157 HA CYS 23 HA CYS 23 -2.830 17.075 -12.719 158 HB2 CYS 23 HB2 CYS 23 0.027 17.622 -11.896 159 HB3 CYS 23 HB3 CYS 23 -1.306 18.623 -11.283 160 H LYS 24 H LYS 24 -3.927 18.584 -13.752 161 HA LYS 24 HA LYS 24 -2.360 20.753 -15.092 162 HB2 LYS 24 HB2 LYS 24 -5.070 19.622 -15.889 163 HB3 LYS 24 HB3 LYS 24 -4.211 20.942 -16.708 164 HG2 LYS 24 HG2 LYS 24 -2.868 18.281 -16.392 165 HG3 LYS 24 HG3 LYS 24 -4.113 18.503 -17.646 166 HD2 LYS 24 HD2 LYS 24 -2.817 20.523 -18.429 167 HD3 LYS 24 HD3 LYS 24 -1.522 20.039 -17.309 168 HE2 LYS 24 HE2 LYS 24 -1.098 18.042 -18.488 169 HE3 LYS 24 HE3 LYS 24 -2.639 18.139 -19.373 170 HZ1 LYS 24 HZ1 LYS 24 -1.785 19.577 -20.870 171 HZ2 LYS 24 HZ2 LYS 24 -0.316 18.871 -20.419 172 HZ3 LYS 24 HZ3 LYS 24 -0.780 20.356 -19.753 173 H GLY 25 H GLY 25 -2.381 22.277 -13.494 174 HA2 GLY 25 HA2 GLY 25 -3.396 24.193 -12.573 175 HA3 GLY 25 HA3 GLY 25 -4.984 23.588 -13.075 176 H SER 26 H SER 26 -6.316 22.920 -11.542 177 HA SER 26 HA SER 26 -5.092 22.234 -8.899 178 HB2 SER 26 HB2 SER 26 -6.492 24.280 -8.878 179 HB3 SER 26 HB3 SER 26 -7.868 23.336 -9.494 180 HG SER 26 HG SER 26 -7.441 21.961 -7.524 181 H SER 27 H SER 27 -5.647 20.491 -11.284 182 HA SER 27 HA SER 27 -7.441 18.565 -9.862 183 HB2 SER 27 HB2 SER 27 -8.286 19.689 -12.083 184 HB3 SER 27 HB3 SER 27 -7.160 18.557 -12.867 185 HG SER 27 HG SER 27 -9.293 17.689 -12.653 186 H CYS 28 H CYS 28 -6.919 16.364 -9.997 187 HA CYS 28 HA CYS 28 -4.303 15.719 -11.256 188 HB2 CYS 28 HB2 CYS 28 -4.998 15.529 -8.332 189 HB3 CYS 28 HB3 CYS 28 -3.915 14.318 -9.046 190 H VAL 29 H VAL 29 -4.949 14.274 -12.725 191 HA VAL 29 HA VAL 29 -6.393 11.883 -11.685 192 HB VAL 29 HB VAL 29 -8.020 13.383 -12.855 193 HG11 VAL 29 HG11 VAL 29 -7.565 14.329 -14.821 194 HG12 VAL 29 HG12 VAL 29 -5.918 13.657 -14.706 195 HG13 VAL 29 HG13 VAL 29 -7.195 12.750 -15.552 196 HG21 VAL 29 HG21 VAL 29 -7.920 10.729 -12.855 197 HG22 VAL 29 HG22 VAL 29 -9.157 11.617 -13.776 198 HG23 VAL 29 HG23 VAL 29 -7.719 10.976 -14.607 199 H CYS 30 H CYS 30 -6.017 9.939 -12.828 200 HA CYS 30 HA CYS 30 -3.339 9.811 -13.954 201 HB2 CYS 30 HB2 CYS 30 -5.522 7.715 -13.647 202 HB3 CYS 30 HB3 CYS 30 -3.873 7.372 -14.214 203 H ARG 31 H ARG 31 -2.686 9.439 -16.026 204 HA ARG 31 HA ARG 31 -4.791 9.152 -18.103 205 HB2 ARG 31 HB2 ARG 31 -2.621 11.281 -18.214 206 HB3 ARG 31 HB3 ARG 31 -3.846 10.955 -19.457 207 HG2 ARG 31 HG2 ARG 31 -4.544 11.788 -16.637 208 HG3 ARG 31 HG3 ARG 31 -4.269 12.948 -17.961 209 HD2 ARG 31 HD2 ARG 31 -6.221 10.670 -18.261 210 HD3 ARG 31 HD3 ARG 31 -6.690 12.179 -17.444 211 HE ARG 31 HE ARG 31 -5.454 12.656 -20.023 212 HH11 ARG 31 HH11 ARG 31 -8.447 11.760 -18.378 213 HH12 ARG 31 HH12 ARG 31 -9.484 12.362 -19.677 214 HH21 ARG 31 HH21 ARG 31 -6.798 13.430 -21.694 215 HH22 ARG 31 HH22 ARG 31 -8.554 13.303 -21.546 216 H LYS 32 H LYS 32 -4.206 7.928 -19.814 217 HA LYS 32 HA LYS 32 -2.043 6.162 -19.610 218 HB2 LYS 32 HB2 LYS 32 -3.446 7.143 -22.126 219 HB3 LYS 32 HB3 LYS 32 -2.417 5.701 -22.029 220 HG2 LYS 32 HG2 LYS 32 -3.976 4.722 -20.385 221 HG3 LYS 32 HG3 LYS 32 -5.022 6.153 -20.552 222 HD2 LYS 32 HD2 LYS 32 -4.216 4.514 -22.953 223 HD3 LYS 32 HD3 LYS 32 -5.593 4.038 -21.928 224 HE2 LYS 32 HE2 LYS 32 -6.629 6.236 -22.308 225 HE3 LYS 32 HE3 LYS 32 -5.251 6.707 -23.333 226 HZ1 LYS 32 HZ1 LYS 32 -7.323 4.655 -23.868 227 HZ2 LYS 32 HZ2 LYS 32 -5.855 4.675 -24.710 228 HZ3 LYS 32 HZ3 LYS 32 -6.904 5.999 -24.807 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 2.991 -1.856 -0.507 2 H2 GLY 1 H2 GLY 1 1.459 -2.473 -0.900 3 H3 GLY 1 H3 GLY 1 2.858 -3.231 -1.495 4 HA2 GLY 1 HA2 GLY 1 3.056 -0.622 -2.274 5 HA3 GLY 1 HA3 GLY 1 2.731 -2.042 -3.285 6 H TYR 2 H TYR 2 1.782 0.669 -3.666 7 HA TYR 2 HA TYR 2 -1.010 0.030 -4.110 8 HB2 TYR 2 HB2 TYR 2 -1.058 0.652 -1.692 9 HB3 TYR 2 HB3 TYR 2 -0.393 2.244 -2.118 10 HD1 TYR 2 HD2 TYR 2 -3.073 0.187 -3.729 11 HD2 TYR 2 HD1 TYR 2 -2.061 3.803 -1.728 12 HE1 TYR 2 HE2 TYR 2 -5.352 1.031 -4.112 13 HE2 TYR 2 HE1 TYR 2 -4.336 4.656 -2.104 14 HH TYR 2 HH TYR 2 -6.700 2.818 -4.021 15 H CYS 3 H CYS 3 -1.888 1.258 -5.703 16 HA CYS 3 HA CYS 3 -0.665 3.834 -6.404 17 HB2 CYS 3 HB2 CYS 3 -0.292 3.066 -8.804 18 HB3 CYS 3 HB3 CYS 3 0.869 2.456 -7.605 19 H ALA 4 H ALA 4 -1.832 4.955 -8.121 20 HA ALA 4 HA ALA 4 -4.703 4.298 -7.949 21 HB1 ALA 4 HB1 ALA 4 -3.464 6.653 -9.384 22 HB2 ALA 4 HB2 ALA 4 -5.111 6.494 -8.728 23 HB3 ALA 4 HB3 ALA 4 -3.721 6.627 -7.622 24 H GLU 5 H GLU 5 -6.099 4.208 -9.790 25 HA GLU 5 HA GLU 5 -4.682 3.070 -12.159 26 HB2 GLU 5 HB2 GLU 5 -7.459 2.643 -11.024 27 HB3 GLU 5 HB3 GLU 5 -7.020 2.129 -12.664 28 HG2 GLU 5 HG2 GLU 5 -5.064 0.889 -11.511 29 HG3 GLU 5 HG3 GLU 5 -6.013 1.110 -10.023 30 H LYS 6 H LYS 6 -6.276 3.238 -14.191 31 HA LYS 6 HA LYS 6 -6.160 5.935 -15.022 32 HB2 LYS 6 HB2 LYS 6 -6.365 3.774 -16.420 33 HB3 LYS 6 HB3 LYS 6 -8.114 3.919 -16.158 34 HG2 LYS 6 HG2 LYS 6 -6.626 6.290 -17.208 35 HG3 LYS 6 HG3 LYS 6 -6.949 4.922 -18.302 36 HD2 LYS 6 HD2 LYS 6 -9.374 5.075 -17.595 37 HD3 LYS 6 HD3 LYS 6 -8.956 6.600 -16.776 38 HE2 LYS 6 HE2 LYS 6 -9.827 7.157 -18.932 39 HE3 LYS 6 HE3 LYS 6 -8.071 7.438 -18.974 40 HZ1 LYS 6 HZ1 LYS 6 -9.612 5.775 -20.633 41 HZ2 LYS 6 HZ2 LYS 6 -8.545 4.794 -19.762 42 HZ3 LYS 6 HZ3 LYS 6 -7.947 6.071 -20.696 43 H GLY 7 H GLY 7 -7.324 7.657 -14.516 44 HA2 GLY 7 HA2 GLY 7 -9.370 8.851 -14.305 45 HA3 GLY 7 HA3 GLY 7 -10.236 7.319 -14.080 46 H ILE 8 H ILE 8 -7.994 6.581 -12.088 47 HA ILE 8 HA ILE 8 -9.458 7.528 -9.759 48 HB ILE 8 HB ILE 8 -6.810 6.045 -9.836 49 HG12 ILE 8 HG12 ILE 8 -8.493 4.810 -11.117 50 HG13 ILE 8 HG13 ILE 8 -8.180 3.992 -9.571 51 HG21 ILE 8 HG21 ILE 8 -6.903 6.035 -7.610 52 HG22 ILE 8 HG22 ILE 8 -8.270 7.170 -7.711 53 HG23 ILE 8 HG23 ILE 8 -8.574 5.418 -7.634 54 HD11 ILE 8 HD11 ILE 8 -10.648 5.081 -10.641 55 HD12 ILE 8 HD12 ILE 8 -10.382 3.951 -9.291 56 HD13 ILE 8 HD13 ILE 8 -10.294 5.706 -9.014 57 H LYS 9 H LYS 9 -9.276 9.645 -9.303 58 HA LYS 9 HA LYS 9 -7.023 11.271 -9.765 59 HB2 LYS 9 HB2 LYS 9 -9.325 11.424 -7.816 60 HB3 LYS 9 HB3 LYS 9 -8.038 12.646 -7.793 61 HG2 LYS 9 HG2 LYS 9 -8.720 13.602 -9.727 62 HG3 LYS 9 HG3 LYS 9 -9.240 12.055 -10.438 63 HD2 LYS 9 HD2 LYS 9 -11.202 12.081 -8.880 64 HD3 LYS 9 HD3 LYS 9 -10.708 13.714 -8.369 65 HE2 LYS 9 HE2 LYS 9 -11.226 12.989 -11.260 66 HE3 LYS 9 HE3 LYS 9 -12.508 13.563 -10.169 67 HZ1 LYS 9 HZ1 LYS 9 -11.450 15.331 -11.530 68 HZ2 LYS 9 HZ2 LYS 9 -9.995 15.064 -10.709 69 HZ3 LYS 9 HZ3 LYS 9 -11.355 15.614 -9.864 70 H CYS 10 H CYS 10 -5.183 11.763 -8.701 71 HA CYS 10 HA CYS 10 -4.736 10.339 -6.107 72 HB2 CYS 10 HB2 CYS 10 -2.299 10.202 -6.852 73 HB3 CYS 10 HB3 CYS 10 -3.439 9.144 -7.712 74 H HIS 11 H HIS 11 -3.820 11.464 -4.477 75 HA HIS 11 HA HIS 11 -3.457 14.366 -4.974 76 HB2 HIS 11 HB2 HIS 11 -3.905 12.662 -2.524 77 HB3 HIS 11 HB3 HIS 11 -3.236 14.299 -2.360 78 HD2 HIS 11 HD2 HIS 11 -6.142 13.501 -4.885 79 HE1 HIS 11 HE1 HIS 11 -7.627 16.023 -1.816 80 HE2 HIS 11 HE2 HIS 11 -8.167 14.907 -4.038 81 H ASN 12 H ASN 12 -1.750 11.636 -3.392 82 HA ASN 12 HA ASN 12 0.800 13.044 -4.038 83 HB2 ASN 12 HB2 ASN 12 1.690 12.168 -1.819 84 HB3 ASN 12 HB3 ASN 12 0.508 13.491 -1.706 85 HD21 ASN 12 HD21 ASN 12 -1.097 13.257 -0.342 86 HD22 ASN 12 HD22 ASN 12 -1.668 11.689 0.327 87 H ILE 13 H ILE 13 -1.065 10.474 -4.644 88 HA ILE 13 HA ILE 13 1.177 8.508 -4.596 89 HB ILE 13 HB ILE 13 -1.066 7.877 -3.616 90 HG12 ILE 13 HG12 ILE 13 -0.291 6.172 -6.011 91 HG13 ILE 13 HG13 ILE 13 0.690 6.267 -4.533 92 HG21 ILE 13 HG21 ILE 13 -1.916 7.915 -6.529 93 HG22 ILE 13 HG22 ILE 13 -2.875 7.296 -5.164 94 HG23 ILE 13 HG23 ILE 13 -2.477 9.029 -5.258 95 HD11 ILE 13 HD11 ILE 13 -0.529 4.450 -3.984 96 HD12 ILE 13 HD12 ILE 13 -1.697 5.680 -3.444 97 HD13 ILE 13 HD13 ILE 13 -1.890 4.906 -5.035 98 H HIS 14 H HIS 14 1.568 7.172 -6.467 99 HA HIS 14 HA HIS 14 1.086 8.717 -8.974 100 HB2 HIS 14 HB2 HIS 14 3.270 6.856 -8.048 101 HB3 HIS 14 HB3 HIS 14 2.978 7.075 -9.786 102 HD2 HIS 14 HD2 HIS 14 4.474 9.010 -6.765 103 HE1 HIS 14 HE1 HIS 14 4.942 11.407 -10.233 104 HE2 HIS 14 HE2 HIS 14 5.553 11.158 -7.775 105 H CYS 15 H CYS 15 0.572 7.608 -10.930 106 HA CYS 15 HA CYS 15 -1.364 5.483 -10.478 107 HB2 CYS 15 HB2 CYS 15 -0.319 6.532 -13.132 108 HB3 CYS 15 HB3 CYS 15 -1.848 5.679 -12.836 109 H CYS 16 H CYS 16 -1.337 3.369 -11.251 110 HA CYS 16 HA CYS 16 1.123 1.997 -11.007 111 HB2 CYS 16 HB2 CYS 16 -1.355 1.070 -12.509 112 HB3 CYS 16 HB3 CYS 16 -0.076 0.037 -11.836 113 H SER 17 H SER 17 1.740 0.322 -12.873 114 HA SER 17 HA SER 17 3.130 1.831 -14.815 115 HB2 SER 17 HB2 SER 17 3.898 -0.377 -14.274 116 HB3 SER 17 HB3 SER 17 2.339 -1.102 -14.734 117 HG SER 17 HG SER 17 3.959 -1.360 -16.364 118 H GLY 18 H GLY 18 2.784 2.402 -16.915 119 HA2 GLY 18 HA2 GLY 18 1.597 2.306 -18.992 120 HA3 GLY 18 HA3 GLY 18 0.229 1.533 -18.169 121 H LEU 19 H LEU 19 0.500 3.608 -15.954 122 HA LEU 19 HA LEU 19 -0.769 5.854 -17.471 123 HB2 LEU 19 HB2 LEU 19 -1.479 4.921 -14.677 124 HB3 LEU 19 HB3 LEU 19 -2.293 6.184 -15.629 125 HG LEU 19 HG LEU 19 -2.212 3.399 -16.725 126 HD11 LEU 19 HD11 LEU 19 -4.379 2.986 -15.468 127 HD12 LEU 19 HD12 LEU 19 -3.904 4.328 -14.400 128 HD13 LEU 19 HD13 LEU 19 -2.879 2.878 -14.515 129 HD21 LEU 19 HD21 LEU 19 -3.192 5.591 -17.779 130 HD22 LEU 19 HD22 LEU 19 -4.555 5.273 -16.681 131 HD23 LEU 19 HD23 LEU 19 -4.089 4.058 -17.896 132 H THR 20 H THR 20 -0.607 7.968 -16.515 133 HA THR 20 HA THR 20 1.671 8.207 -14.594 134 HB THR 20 HB THR 20 1.213 10.074 -16.945 135 HG1 THR 20 HG1 THR 20 3.093 9.007 -17.829 136 HG21 THR 20 HG21 THR 20 2.418 11.316 -15.416 137 HG22 THR 20 HG22 THR 20 3.739 10.505 -16.293 138 HG23 THR 20 HG23 THR 20 3.207 9.885 -14.712 139 H CYS 21 H CYS 21 1.427 9.632 -12.969 140 HA CYS 21 HA CYS 21 -1.216 10.726 -12.528 141 HB2 CYS 21 HB2 CYS 21 0.579 9.907 -10.808 142 HB3 CYS 21 HB3 CYS 21 1.233 11.552 -10.964 143 H LYS 22 H LYS 22 -1.599 12.124 -14.276 144 HA LYS 22 HA LYS 22 0.188 14.437 -14.622 145 HB2 LYS 22 HB2 LYS 22 -2.360 13.507 -15.975 146 HB3 LYS 22 HB3 LYS 22 -1.642 15.094 -16.313 147 HG2 LYS 22 HG2 LYS 22 0.525 13.752 -16.796 148 HG3 LYS 22 HG3 LYS 22 -0.570 12.352 -16.921 149 HD2 LYS 22 HD2 LYS 22 -1.927 13.715 -18.573 150 HD3 LYS 22 HD3 LYS 22 -0.594 14.895 -18.568 151 HE2 LYS 22 HE2 LYS 22 0.958 13.181 -19.339 152 HE3 LYS 22 HE3 LYS 22 -0.329 11.955 -19.267 153 HZ1 LYS 22 HZ1 LYS 22 -1.516 13.624 -20.868 154 HZ2 LYS 22 HZ2 LYS 22 -0.378 12.525 -21.467 155 HZ3 LYS 22 HZ3 LYS 22 0.061 14.138 -21.200 156 H CYS 23 H CYS 23 -0.298 16.571 -14.190 157 HA CYS 23 HA CYS 23 -2.831 17.087 -12.714 158 HB2 CYS 23 HB2 CYS 23 -0.014 17.542 -11.720 159 HB3 CYS 23 HB3 CYS 23 -1.348 18.572 -11.159 160 H LYS 24 H LYS 24 -3.851 18.657 -13.736 161 HA LYS 24 HA LYS 24 -2.184 20.842 -14.920 162 HB2 LYS 24 HB2 LYS 24 -3.304 19.391 -16.615 163 HB3 LYS 24 HB3 LYS 24 -4.873 19.822 -15.910 164 HG2 LYS 24 HG2 LYS 24 -4.137 22.270 -16.374 165 HG3 LYS 24 HG3 LYS 24 -2.961 21.522 -17.482 166 HD2 LYS 24 HD2 LYS 24 -4.604 20.709 -18.894 167 HD3 LYS 24 HD3 LYS 24 -5.845 20.701 -17.618 168 HE2 LYS 24 HE2 LYS 24 -4.655 23.300 -18.551 169 HE3 LYS 24 HE3 LYS 24 -5.921 22.503 -19.515 170 HZ1 LYS 24 HZ1 LYS 24 -6.930 22.419 -17.005 171 HZ2 LYS 24 HZ2 LYS 24 -7.315 23.586 -18.169 172 HZ3 LYS 24 HZ3 LYS 24 -6.131 23.911 -17.005 173 H GLY 25 H GLY 25 -2.277 22.300 -13.261 174 HA2 GLY 25 HA2 GLY 25 -3.322 24.206 -12.346 175 HA3 GLY 25 HA3 GLY 25 -4.888 23.630 -12.946 176 H SER 26 H SER 26 -6.300 22.927 -11.502 177 HA SER 26 HA SER 26 -5.216 22.152 -8.824 178 HB2 SER 26 HB2 SER 26 -7.161 23.050 -7.810 179 HB3 SER 26 HB3 SER 26 -6.716 24.240 -9.057 180 HG SER 26 HG SER 26 -8.973 23.735 -9.072 181 H SER 27 H SER 27 -5.653 20.483 -11.280 182 HA SER 27 HA SER 27 -7.532 18.528 -10.014 183 HB2 SER 27 HB2 SER 27 -8.224 19.734 -12.263 184 HB3 SER 27 HB3 SER 27 -7.093 18.572 -12.996 185 HG SER 27 HG SER 27 -9.261 17.774 -12.909 186 H CYS 28 H CYS 28 -6.974 16.365 -10.068 187 HA CYS 28 HA CYS 28 -4.344 15.694 -11.283 188 HB2 CYS 28 HB2 CYS 28 -5.095 15.455 -8.363 189 HB3 CYS 28 HB3 CYS 28 -3.897 14.362 -9.090 190 H VAL 29 H VAL 29 -4.970 14.223 -12.735 191 HA VAL 29 HA VAL 29 -6.394 11.834 -11.672 192 HB VAL 29 HB VAL 29 -8.064 13.315 -12.807 193 HG11 VAL 29 HG11 VAL 29 -6.452 12.693 -15.302 194 HG12 VAL 29 HG12 VAL 29 -7.988 13.591 -15.222 195 HG13 VAL 29 HG13 VAL 29 -6.518 14.273 -14.485 196 HG21 VAL 29 HG21 VAL 29 -8.160 10.769 -12.708 197 HG22 VAL 29 HG22 VAL 29 -9.149 11.554 -13.961 198 HG23 VAL 29 HG23 VAL 29 -7.605 10.784 -14.398 199 H CYS 30 H CYS 30 -6.020 9.893 -12.819 200 HA CYS 30 HA CYS 30 -3.366 9.788 -13.994 201 HB2 CYS 30 HB2 CYS 30 -5.528 7.671 -13.688 202 HB3 CYS 30 HB3 CYS 30 -3.873 7.351 -14.249 203 H ARG 31 H ARG 31 -2.741 9.476 -16.077 204 HA ARG 31 HA ARG 31 -4.867 9.158 -18.127 205 HB2 ARG 31 HB2 ARG 31 -2.800 11.389 -18.115 206 HB3 ARG 31 HB3 ARG 31 -3.839 10.980 -19.495 207 HG2 ARG 31 HG2 ARG 31 -4.899 11.786 -16.777 208 HG3 ARG 31 HG3 ARG 31 -4.605 12.929 -18.111 209 HD2 ARG 31 HD2 ARG 31 -6.086 11.268 -19.488 210 HD3 ARG 31 HD3 ARG 31 -6.638 10.724 -17.887 211 HE ARG 31 HE ARG 31 -6.777 13.571 -18.013 212 HH11 ARG 31 HH11 ARG 31 -8.305 10.671 -19.322 213 HH12 ARG 31 HH12 ARG 31 -9.874 11.453 -19.549 214 HH21 ARG 31 HH21 ARG 31 -8.803 14.575 -18.309 215 HH22 ARG 31 HH22 ARG 31 -10.153 13.655 -18.978 216 H LYS 32 H LYS 32 -4.297 7.884 -19.786 217 HA LYS 32 HA LYS 32 -2.032 6.239 -19.638 218 HB2 LYS 32 HB2 LYS 32 -3.823 7.032 -21.944 219 HB3 LYS 32 HB3 LYS 32 -2.483 5.890 -22.164 220 HG2 LYS 32 HG2 LYS 32 -4.512 5.439 -19.997 221 HG3 LYS 32 HG3 LYS 32 -4.875 4.998 -21.684 222 HD2 LYS 32 HD2 LYS 32 -2.476 3.859 -21.511 223 HD3 LYS 32 HD3 LYS 32 -2.882 3.839 -19.777 224 HE2 LYS 32 HE2 LYS 32 -3.614 1.764 -20.705 225 HE3 LYS 32 HE3 LYS 32 -5.065 2.749 -20.399 226 HZ1 LYS 32 HZ1 LYS 32 -5.596 2.377 -22.508 227 HZ2 LYS 32 HZ2 LYS 32 -4.095 1.682 -22.858 228 HZ3 LYS 32 HZ3 LYS 32 -4.297 3.358 -22.972
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